USER MOD reduce.3.24.130724 H: found=0, std=0, add=1532, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1536 hydrogens (17 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 GLN :FLIP amide:sc= -1.08 F(o=-5.9!,f=-0.93) USER MOD Set 1.2: A 157 ASN : amide:sc= 0.142 K(o=-0.93,f=-3.9!) USER MOD Set 2.1: A 5 ASN :FLIP amide:sc= -3.94! C(o=-4.6!,f=-3.4!) USER MOD Set 2.2: A 135 ASN : amide:sc= 0.548 X(o=-3.4,f=-3.8) USER MOD Set 3.1: A 61 TYR OH : rot -179:sc= 1.21 USER MOD Set 3.2: A 105 SER OG : rot 62:sc= -0.283! USER MOD Set 4.1: A 1 MET N :NH3+ -165:sc= 1.04 (180deg=0.26) USER MOD Set 4.2: A 4 SER OG : rot 146:sc= 1.36 USER MOD Set 5.1: A 2 SER OG : rot 71:sc= 1.19 USER MOD Set 5.2: A 3 GLN : amide:sc= 0.828 K(o=2,f=-2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 78:sc= 1.06 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 0.644 (180deg=0.485) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.0035) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 28 SER OG : rot -56:sc= -0.503 USER MOD Single : A 33 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 35 THR OG1 : rot 45:sc= 0.17 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -178:sc= 1.11 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0.742 (180deg=0.659) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0307 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.986 F(o=-4.8!,f=-0.99) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 40:sc= -4.25! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 81 GLN : amide:sc=-0.000383 X(o=-0.00038,f=0) USER MOD Single : A 82 SER OG : rot -94:sc= 0.376 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 88 ASN : amide:sc= 0.0661 X(o=0.066,f=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.249 F(o=-5.3!,f=-0.25) USER MOD Single : A 111 CYS SG : rot 164:sc= -14.3! USER MOD Single : A 114 SER OG : rot 74:sc= 0.815 USER MOD Single : A 117 LYS NZ :NH3+ 153:sc= 1.29 (180deg=1.18) USER MOD Single : A 119 MET CE :methyl -152:sc= -4.57! (180deg=-9.04!) USER MOD Single : A 120 GLN :FLIP amide:sc= -1.96! C(o=-2.8!,f=-2!) USER MOD Single : A 124 SER OG : rot -101:sc= 1.37 USER MOD Single : A 130 MET CE :methyl 178:sc= -2.84 (180deg=-2.92) USER MOD Single : A 132 THR OG1 : rot 79:sc= 0.119 USER MOD Single : A 133 TYR OH : rot -64:sc= 0.388 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 143 GLN : amide:sc= -0.0633 K(o=-0.063,f=-0.76) USER MOD Single : A 145 ASN :FLIP amide:sc= -0.321 F(o=-5!,f=-0.32) USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 TYR OH : rot -123:sc= 1.17 USER MOD Single : A 158 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 172 HIS : no HD1:sc= -0.154 X(o=-0.15,f=0.015) USER MOD Single : A 173 HIS : no HD1:sc= -0.0642 X(o=-0.064,f=0) USER MOD Single : A 174 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 176 HIS : no HD1:sc=-0.00246 X(o=-0.0025,f=0) USER MOD Single : A 177 HIS : no HE2:sc= 1.23 K(o=1.2,f=-5.3!) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 181 HIS :FLIP no HE2:sc= -0.0605 F(o=-0.59,f=-0.061) USER MOD Single : A 182 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.25) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 184 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 185 HIS : no HD1:sc=-0.00256 X(o=-0.0026,f=-0.0026) USER MOD Single : B1016 ASN : amide:sc= -0.301 K(o=-0.3,f=-2.8!) USER MOD Single : B1100 33B O62 : rot 180:sc= -4.95! USER MOD Single : B1100 33B O72 : rot 62:sc= 1.54 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.768 10.679 11.403 1.00 4.13 N ATOM 2 CA MET A 1 4.607 10.721 12.872 1.00 3.61 C ATOM 3 C MET A 1 3.507 9.760 13.302 1.00 2.48 C ATOM 4 O MET A 1 3.784 8.669 13.797 1.00 2.89 O ATOM 5 CB MET A 1 4.264 12.143 13.328 1.00 4.18 C ATOM 6 CG MET A 1 5.236 13.198 12.831 1.00 4.89 C ATOM 7 SD MET A 1 4.710 14.873 13.237 1.00 5.86 S ATOM 8 CE MET A 1 5.932 15.831 12.345 1.00 6.21 C ATOM 0 H1 MET A 1 5.668 11.129 11.139 1.00 4.13 H new ATOM 0 H2 MET A 1 4.769 9.690 11.082 1.00 4.13 H new ATOM 0 H3 MET A 1 3.981 11.188 10.953 1.00 4.13 H new ATOM 0 HA MET A 1 5.546 10.420 13.336 1.00 3.61 H new ATOM 0 HB2 MET A 1 3.262 12.394 12.981 1.00 4.18 H new ATOM 0 HB3 MET A 1 4.240 12.169 14.417 1.00 4.18 H new ATOM 0 HG2 MET A 1 6.219 13.015 13.266 1.00 4.89 H new ATOM 0 HG3 MET A 1 5.343 13.107 11.750 1.00 4.89 H new ATOM 0 HE1 MET A 1 5.742 16.894 12.496 1.00 6.21 H new ATOM 0 HE2 MET A 1 6.928 15.584 12.713 1.00 6.21 H new ATOM 0 HE3 MET A 1 5.871 15.599 11.282 1.00 6.21 H new ATOM 20 N SER A 2 2.259 10.159 13.094 1.00 1.64 N ATOM 21 CA SER A 2 1.127 9.309 13.427 1.00 0.95 C ATOM 22 C SER A 2 0.071 9.349 12.322 1.00 0.84 C ATOM 23 O SER A 2 -0.389 8.311 11.853 1.00 1.03 O ATOM 24 CB SER A 2 0.535 9.740 14.770 1.00 1.55 C ATOM 25 OG SER A 2 0.486 11.154 14.879 1.00 1.87 O ATOM 0 H SER A 2 2.007 11.064 12.697 1.00 1.64 H new ATOM 0 HA SER A 2 1.472 8.279 13.512 1.00 0.95 H new ATOM 0 HB2 SER A 2 -0.469 9.329 14.876 1.00 1.55 H new ATOM 0 HB3 SER A 2 1.135 9.330 15.583 1.00 1.55 H new ATOM 0 HG SER A 2 -0.199 11.505 14.273 1.00 1.87 H new ATOM 31 N GLN A 3 -0.283 10.550 11.882 1.00 0.73 N ATOM 32 CA GLN A 3 -1.298 10.717 10.846 1.00 0.73 C ATOM 33 C GLN A 3 -0.719 10.463 9.459 1.00 0.61 C ATOM 34 O GLN A 3 -1.418 10.571 8.455 1.00 0.64 O ATOM 35 CB GLN A 3 -1.916 12.118 10.902 1.00 0.83 C ATOM 36 CG GLN A 3 -3.010 12.268 11.950 1.00 1.13 C ATOM 37 CD GLN A 3 -2.497 12.180 13.374 1.00 1.76 C ATOM 38 OE1 GLN A 3 -1.371 12.577 13.668 1.00 2.42 O ATOM 39 NE2 GLN A 3 -3.318 11.648 14.263 1.00 2.22 N ATOM 0 H GLN A 3 0.117 11.423 12.225 1.00 0.73 H new ATOM 0 HA GLN A 3 -2.079 9.981 11.036 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -1.129 12.844 11.106 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -2.328 12.362 9.923 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -3.508 13.228 11.810 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -3.761 11.494 11.794 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -4.244 11.331 13.976 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -3.025 11.554 15.236 1.00 2.22 H new ATOM 48 N SER A 4 0.557 10.114 9.411 1.00 0.55 N ATOM 49 CA SER A 4 1.242 9.854 8.153 1.00 0.52 C ATOM 50 C SER A 4 0.676 8.619 7.453 1.00 0.45 C ATOM 51 O SER A 4 0.823 8.459 6.239 1.00 0.46 O ATOM 52 CB SER A 4 2.734 9.683 8.427 1.00 0.61 C ATOM 53 OG SER A 4 2.939 9.170 9.735 1.00 1.25 O ATOM 0 H SER A 4 1.145 10.003 10.237 1.00 0.55 H new ATOM 0 HA SER A 4 1.086 10.701 7.484 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.171 9.007 7.691 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.242 10.641 8.321 1.00 0.61 H new ATOM 0 HG SER A 4 3.722 8.581 9.736 1.00 1.25 H new ATOM 59 N ASN A 5 0.010 7.761 8.222 1.00 0.43 N ATOM 60 CA ASN A 5 -0.614 6.559 7.676 1.00 0.39 C ATOM 61 C ASN A 5 -1.731 6.930 6.713 1.00 0.35 C ATOM 62 O ASN A 5 -2.116 6.134 5.856 1.00 0.35 O ATOM 63 CB ASN A 5 -1.183 5.685 8.791 1.00 0.40 C ATOM 64 CG ASN A 5 -0.157 5.281 9.826 1.00 0.80 C ATOM 65 OD1 ASN A 5 -0.600 5.172 11.067 1.00 1.78 O flip ATOM 66 ND2 ASN A 5 1.017 5.078 9.518 1.00 0.53 N flip ATOM 0 H ASN A 5 -0.111 7.877 9.228 1.00 0.43 H new ATOM 0 HA ASN A 5 0.155 6.000 7.143 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.993 6.222 9.285 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -1.617 4.787 8.352 1.00 0.40 H new ATOM 0 HD21 ASN A 5 1.313 5.174 8.547 1.00 0.53 H new ATOM 0 HD22 ASN A 5 1.694 4.814 10.234 1.00 0.53 H new ATOM 73 N ARG A 6 -2.253 8.144 6.871 1.00 0.35 N ATOM 74 CA ARG A 6 -3.277 8.668 5.983 1.00 0.34 C ATOM 75 C ARG A 6 -2.811 8.606 4.543 1.00 0.31 C ATOM 76 O ARG A 6 -3.494 8.057 3.680 1.00 0.30 O ATOM 77 CB ARG A 6 -3.602 10.119 6.341 1.00 0.41 C ATOM 78 CG ARG A 6 -4.593 10.762 5.390 1.00 0.59 C ATOM 79 CD ARG A 6 -5.915 10.025 5.416 1.00 0.41 C ATOM 80 NE ARG A 6 -6.670 10.315 6.635 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.698 9.594 7.076 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.095 8.519 6.412 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.332 9.951 8.185 1.00 0.93 N ATOM 0 H ARG A 6 -1.977 8.786 7.615 1.00 0.35 H new ATOM 0 HA ARG A 6 -4.171 8.056 6.101 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -4.004 10.155 7.353 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.680 10.701 6.343 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.747 11.805 5.668 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.188 10.758 4.378 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.507 10.307 4.545 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.735 8.952 5.345 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.389 11.126 7.185 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.612 8.240 5.558 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.884 7.970 6.755 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -8.032 10.778 8.700 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.120 9.398 8.523 1.00 0.93 H new ATOM 97 N GLU A 7 -1.641 9.167 4.305 1.00 0.30 N ATOM 98 CA GLU A 7 -1.070 9.244 2.972 1.00 0.29 C ATOM 99 C GLU A 7 -0.918 7.864 2.369 1.00 0.25 C ATOM 100 O GLU A 7 -1.252 7.639 1.213 1.00 0.26 O ATOM 101 CB GLU A 7 0.297 9.899 3.021 1.00 0.31 C ATOM 102 CG GLU A 7 0.282 11.318 3.529 1.00 0.40 C ATOM 103 CD GLU A 7 1.658 11.934 3.471 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.193 12.113 2.356 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.186 12.287 4.545 1.00 0.53 O ATOM 0 H GLU A 7 -1.058 9.583 5.031 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.747 9.837 2.358 1.00 0.29 H new ATOM 0 HB2 GLU A 7 0.951 9.303 3.658 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.730 9.887 2.021 1.00 0.31 H new ATOM 0 HG2 GLU A 7 -0.411 11.913 2.934 1.00 0.40 H new ATOM 0 HG3 GLU A 7 -0.084 11.335 4.556 1.00 0.40 H new ATOM 112 N LEU A 8 -0.381 6.958 3.170 1.00 0.26 N ATOM 113 CA LEU A 8 -0.166 5.580 2.785 1.00 0.27 C ATOM 114 C LEU A 8 -1.448 4.950 2.249 1.00 0.28 C ATOM 115 O LEU A 8 -1.408 4.099 1.362 1.00 0.40 O ATOM 116 CB LEU A 8 0.348 4.825 4.008 1.00 0.34 C ATOM 117 CG LEU A 8 1.797 5.131 4.432 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.281 6.509 3.986 1.00 1.00 C ATOM 119 CD2 LEU A 8 1.942 4.990 5.941 1.00 1.16 C ATOM 0 H LEU A 8 -0.078 7.167 4.121 1.00 0.26 H new ATOM 0 HA LEU A 8 0.567 5.530 1.980 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.310 5.045 4.849 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.266 3.756 3.811 1.00 0.34 H new ATOM 0 HG LEU A 8 2.428 4.401 3.926 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.308 6.659 4.318 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.237 6.576 2.899 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.643 7.278 4.423 1.00 1.00 H new ATOM 0 HD21 LEU A 8 2.970 5.209 6.230 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.269 5.689 6.438 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.691 3.972 6.237 1.00 1.16 H new ATOM 131 N VAL A 9 -2.580 5.384 2.784 1.00 0.23 N ATOM 132 CA VAL A 9 -3.870 4.958 2.279 1.00 0.23 C ATOM 133 C VAL A 9 -4.226 5.758 1.033 1.00 0.23 C ATOM 134 O VAL A 9 -4.381 5.209 -0.056 1.00 0.24 O ATOM 135 CB VAL A 9 -4.958 5.164 3.348 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.343 4.921 2.779 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.704 4.258 4.536 1.00 0.27 C ATOM 0 H VAL A 9 -2.627 6.033 3.570 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.814 3.899 2.029 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.913 6.201 3.680 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -7.089 5.075 3.559 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.527 5.616 1.959 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.410 3.898 2.409 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.481 4.414 5.285 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.717 3.218 4.210 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.731 4.490 4.969 1.00 0.27 H new ATOM 147 N VAL A 10 -4.329 7.064 1.222 1.00 0.23 N ATOM 148 CA VAL A 10 -4.756 7.991 0.181 1.00 0.25 C ATOM 149 C VAL A 10 -3.990 7.799 -1.120 1.00 0.25 C ATOM 150 O VAL A 10 -4.603 7.598 -2.169 1.00 0.27 O ATOM 151 CB VAL A 10 -4.587 9.436 0.670 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.981 10.431 -0.405 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.414 9.641 1.917 1.00 0.32 C ATOM 0 H VAL A 10 -4.117 7.517 2.111 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.806 7.783 -0.025 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.536 9.608 0.901 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.850 11.445 -0.028 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.351 10.286 -1.283 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.025 10.277 -0.678 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.296 10.666 2.267 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.464 9.452 1.692 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -5.080 8.952 2.693 1.00 0.32 H new ATOM 163 N ASP A 11 -2.660 7.857 -1.045 1.00 0.26 N ATOM 164 CA ASP A 11 -1.806 7.714 -2.221 1.00 0.28 C ATOM 165 C ASP A 11 -2.209 6.491 -3.028 1.00 0.31 C ATOM 166 O ASP A 11 -2.319 6.551 -4.254 1.00 0.35 O ATOM 167 CB ASP A 11 -0.337 7.582 -1.805 1.00 0.32 C ATOM 168 CG ASP A 11 0.625 7.691 -2.976 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.649 6.788 -3.834 1.00 0.49 O ATOM 170 OD2 ASP A 11 1.368 8.693 -3.043 1.00 0.59 O ATOM 0 H ASP A 11 -2.149 8.003 -0.174 1.00 0.26 H new ATOM 0 HA ASP A 11 -1.928 8.606 -2.835 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.101 8.356 -1.075 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.190 6.622 -1.310 1.00 0.32 H new ATOM 175 N PHE A 12 -2.471 5.395 -2.327 1.00 0.32 N ATOM 176 CA PHE A 12 -2.774 4.140 -2.980 1.00 0.38 C ATOM 177 C PHE A 12 -4.163 4.170 -3.608 1.00 0.34 C ATOM 178 O PHE A 12 -4.340 3.703 -4.732 1.00 0.39 O ATOM 179 CB PHE A 12 -2.663 2.975 -2.002 1.00 0.46 C ATOM 180 CG PHE A 12 -2.181 1.709 -2.652 1.00 0.76 C ATOM 181 CD1 PHE A 12 -2.995 1.020 -3.536 1.00 0.98 C ATOM 182 CD2 PHE A 12 -0.926 1.200 -2.367 1.00 1.24 C ATOM 183 CE1 PHE A 12 -2.564 -0.152 -4.124 1.00 1.38 C ATOM 184 CE2 PHE A 12 -0.491 0.029 -2.954 1.00 1.61 C ATOM 185 CZ PHE A 12 -1.271 -0.611 -3.875 1.00 1.61 C ATOM 0 H PHE A 12 -2.478 5.356 -1.308 1.00 0.32 H new ATOM 0 HA PHE A 12 -2.041 3.996 -3.774 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.980 3.247 -1.197 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.637 2.796 -1.547 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -3.977 1.404 -3.768 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.280 1.724 -1.678 1.00 1.24 H new ATOM 0 HE1 PHE A 12 -3.224 -0.710 -4.772 1.00 1.38 H new ATOM 0 HE2 PHE A 12 0.470 -0.383 -2.684 1.00 1.61 H new ATOM 0 HZ PHE A 12 -0.888 -1.469 -4.408 1.00 1.61 H new ATOM 195 N LEU A 13 -5.152 4.722 -2.901 1.00 0.28 N ATOM 196 CA LEU A 13 -6.488 4.839 -3.473 1.00 0.28 C ATOM 197 C LEU A 13 -6.457 5.742 -4.703 1.00 0.30 C ATOM 198 O LEU A 13 -7.084 5.444 -5.720 1.00 0.34 O ATOM 199 CB LEU A 13 -7.506 5.358 -2.449 1.00 0.25 C ATOM 200 CG LEU A 13 -8.085 4.297 -1.505 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.163 4.019 -0.348 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.457 4.703 -0.996 1.00 0.27 C ATOM 0 H LEU A 13 -5.054 5.086 -1.953 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.809 3.841 -3.771 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -7.030 6.134 -1.849 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.328 5.830 -2.986 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.188 3.379 -2.084 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.608 3.262 0.298 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.206 3.658 -0.724 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -7.007 4.935 0.221 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.841 3.931 -0.329 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.380 5.645 -0.453 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.137 4.825 -1.839 1.00 0.27 H new ATOM 214 N SER A 14 -5.689 6.824 -4.617 1.00 0.29 N ATOM 215 CA SER A 14 -5.507 7.729 -5.749 1.00 0.33 C ATOM 216 C SER A 14 -4.836 6.990 -6.903 1.00 0.37 C ATOM 217 O SER A 14 -5.190 7.161 -8.071 1.00 0.42 O ATOM 218 CB SER A 14 -4.641 8.919 -5.335 1.00 0.33 C ATOM 219 OG SER A 14 -5.105 9.496 -4.129 1.00 1.05 O ATOM 0 H SER A 14 -5.182 7.096 -3.775 1.00 0.29 H new ATOM 0 HA SER A 14 -6.484 8.090 -6.070 1.00 0.33 H new ATOM 0 HB2 SER A 14 -3.608 8.594 -5.212 1.00 0.33 H new ATOM 0 HB3 SER A 14 -4.647 9.669 -6.126 1.00 0.33 H new ATOM 0 HG SER A 14 -4.816 8.946 -3.371 1.00 1.05 H new ATOM 225 N TYR A 15 -3.883 6.139 -6.539 1.00 0.37 N ATOM 226 CA TYR A 15 -3.110 5.351 -7.488 1.00 0.45 C ATOM 227 C TYR A 15 -4.009 4.371 -8.250 1.00 0.43 C ATOM 228 O TYR A 15 -3.644 3.879 -9.320 1.00 0.55 O ATOM 229 CB TYR A 15 -2.012 4.605 -6.710 1.00 0.52 C ATOM 230 CG TYR A 15 -1.009 3.855 -7.555 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.438 4.434 -8.679 1.00 0.72 C ATOM 232 CD2 TYR A 15 -0.623 2.563 -7.215 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.484 3.747 -9.442 1.00 0.89 C ATOM 234 CE2 TYR A 15 0.301 1.871 -7.972 1.00 1.06 C ATOM 235 CZ TYR A 15 0.852 2.467 -9.086 1.00 1.03 C ATOM 236 OH TYR A 15 1.768 1.779 -9.851 1.00 1.22 O ATOM 0 H TYR A 15 -3.624 5.976 -5.566 1.00 0.37 H new ATOM 0 HA TYR A 15 -2.656 6.007 -8.231 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.475 5.326 -6.094 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.489 3.898 -6.031 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.719 5.438 -8.961 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.054 2.093 -6.343 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.916 4.211 -10.316 1.00 0.89 H new ATOM 0 HE2 TYR A 15 0.590 0.869 -7.693 1.00 1.06 H new ATOM 0 HH TYR A 15 1.918 0.892 -9.463 1.00 1.22 H new ATOM 246 N LYS A 16 -5.193 4.104 -7.704 1.00 0.33 N ATOM 247 CA LYS A 16 -6.134 3.176 -8.322 1.00 0.33 C ATOM 248 C LYS A 16 -7.056 3.921 -9.261 1.00 0.33 C ATOM 249 O LYS A 16 -7.203 3.565 -10.426 1.00 0.42 O ATOM 250 CB LYS A 16 -6.957 2.456 -7.255 1.00 0.34 C ATOM 251 CG LYS A 16 -6.139 1.676 -6.234 1.00 0.61 C ATOM 252 CD LYS A 16 -5.311 0.571 -6.872 1.00 0.57 C ATOM 253 CE LYS A 16 -3.996 1.104 -7.415 1.00 1.18 C ATOM 254 NZ LYS A 16 -3.143 0.033 -7.970 1.00 1.41 N ATOM 0 H LYS A 16 -5.523 4.519 -6.833 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.567 2.436 -8.886 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.564 3.191 -6.727 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.645 1.770 -7.749 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.478 2.361 -5.704 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.809 1.241 -5.492 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -5.113 -0.208 -6.136 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.879 0.109 -7.680 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -4.199 1.843 -8.191 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.458 1.618 -6.618 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -2.388 0.455 -8.548 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -2.720 -0.512 -7.192 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -3.720 -0.599 -8.561 1.00 1.41 H new ATOM 268 N LEU A 17 -7.666 4.954 -8.726 1.00 0.33 N ATOM 269 CA LEU A 17 -8.560 5.824 -9.475 1.00 0.32 C ATOM 270 C LEU A 17 -7.873 6.397 -10.713 1.00 0.35 C ATOM 271 O LEU A 17 -8.514 6.632 -11.738 1.00 0.36 O ATOM 272 CB LEU A 17 -9.014 6.931 -8.543 1.00 0.35 C ATOM 273 CG LEU A 17 -9.649 6.396 -7.270 1.00 0.53 C ATOM 274 CD1 LEU A 17 -9.601 7.415 -6.159 1.00 1.35 C ATOM 275 CD2 LEU A 17 -11.070 5.956 -7.546 1.00 1.15 C ATOM 0 H LEU A 17 -7.558 5.221 -7.748 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.418 5.255 -9.833 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.160 7.557 -8.284 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.730 7.568 -9.062 1.00 0.35 H new ATOM 0 HG LEU A 17 -9.074 5.531 -6.937 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -10.064 6.999 -5.264 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -8.563 7.672 -5.945 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.141 8.311 -6.464 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -11.517 5.574 -6.628 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -11.650 6.805 -7.906 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -11.067 5.171 -8.302 1.00 1.15 H new ATOM 287 N SER A 18 -6.565 6.598 -10.611 1.00 0.41 N ATOM 288 CA SER A 18 -5.761 7.099 -11.720 1.00 0.48 C ATOM 289 C SER A 18 -5.817 6.155 -12.932 1.00 0.51 C ATOM 290 O SER A 18 -5.756 6.603 -14.079 1.00 0.58 O ATOM 291 CB SER A 18 -4.311 7.297 -11.256 1.00 0.57 C ATOM 292 OG SER A 18 -3.513 7.885 -12.268 1.00 0.94 O ATOM 0 H SER A 18 -6.032 6.419 -9.760 1.00 0.41 H new ATOM 0 HA SER A 18 -6.173 8.057 -12.037 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.296 7.929 -10.368 1.00 0.57 H new ATOM 0 HB3 SER A 18 -3.886 6.335 -10.970 1.00 0.57 H new ATOM 0 HG SER A 18 -2.597 7.998 -11.938 1.00 0.94 H new ATOM 298 N GLN A 19 -5.970 4.854 -12.680 1.00 0.52 N ATOM 299 CA GLN A 19 -5.994 3.856 -13.756 1.00 0.57 C ATOM 300 C GLN A 19 -7.320 3.892 -14.480 1.00 0.51 C ATOM 301 O GLN A 19 -7.450 3.441 -15.617 1.00 0.59 O ATOM 302 CB GLN A 19 -5.798 2.450 -13.202 1.00 0.68 C ATOM 303 CG GLN A 19 -4.854 2.377 -12.027 1.00 0.84 C ATOM 304 CD GLN A 19 -4.708 0.964 -11.505 1.00 0.97 C ATOM 305 OE1 GLN A 19 -3.814 0.223 -11.915 1.00 1.37 O ATOM 306 NE2 GLN A 19 -5.608 0.569 -10.620 1.00 1.19 N ATOM 0 H GLN A 19 -6.079 4.465 -11.743 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.182 4.099 -14.441 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -6.767 2.051 -12.901 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -5.421 1.807 -13.997 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -3.876 2.757 -12.323 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -5.219 3.023 -11.228 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -6.333 1.215 -10.306 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -5.578 -0.381 -10.251 1.00 1.19 H new ATOM 315 N LYS A 20 -8.296 4.426 -13.788 1.00 0.45 N ATOM 316 CA LYS A 20 -9.660 4.451 -14.251 1.00 0.49 C ATOM 317 C LYS A 20 -9.925 5.789 -14.904 1.00 0.48 C ATOM 318 O LYS A 20 -10.790 5.936 -15.765 1.00 0.53 O ATOM 319 CB LYS A 20 -10.591 4.262 -13.063 1.00 0.57 C ATOM 320 CG LYS A 20 -9.980 3.478 -11.911 1.00 0.49 C ATOM 321 CD LYS A 20 -9.679 2.030 -12.277 1.00 1.20 C ATOM 322 CE LYS A 20 -10.916 1.318 -12.803 1.00 1.75 C ATOM 323 NZ LYS A 20 -10.722 -0.152 -12.900 1.00 2.20 N ATOM 0 H LYS A 20 -8.163 4.861 -12.875 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.832 3.652 -14.972 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -10.900 5.242 -12.698 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.492 3.749 -13.400 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -9.059 3.967 -11.593 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.662 3.499 -11.061 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -8.893 2.000 -13.031 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.300 1.504 -11.401 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.760 1.528 -12.146 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.170 1.714 -13.786 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -11.591 -0.594 -13.263 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -9.934 -0.356 -13.547 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -10.505 -0.536 -11.958 1.00 2.20 H new ATOM 337 N GLY A 21 -9.163 6.760 -14.450 1.00 0.45 N ATOM 338 CA GLY A 21 -9.223 8.087 -14.997 1.00 0.49 C ATOM 339 C GLY A 21 -10.028 9.023 -14.124 1.00 0.47 C ATOM 340 O GLY A 21 -10.491 10.070 -14.578 1.00 0.53 O ATOM 0 H GLY A 21 -8.488 6.647 -13.694 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.212 8.478 -15.112 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -9.665 8.049 -15.993 1.00 0.49 H new ATOM 344 N TYR A 22 -10.198 8.638 -12.868 1.00 0.40 N ATOM 345 CA TYR A 22 -10.912 9.462 -11.906 1.00 0.37 C ATOM 346 C TYR A 22 -9.933 10.223 -11.035 1.00 0.36 C ATOM 347 O TYR A 22 -8.792 9.799 -10.852 1.00 0.38 O ATOM 348 CB TYR A 22 -11.809 8.618 -11.002 1.00 0.34 C ATOM 349 CG TYR A 22 -13.001 7.994 -11.697 1.00 0.38 C ATOM 350 CD1 TYR A 22 -12.832 6.942 -12.589 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.290 8.464 -11.476 1.00 0.50 C ATOM 352 CE1 TYR A 22 -13.911 6.376 -13.238 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.374 7.904 -12.122 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.198 6.837 -12.948 1.00 0.62 C ATOM 355 OH TYR A 22 -16.256 6.305 -13.653 1.00 0.76 O ATOM 0 H TYR A 22 -9.850 7.757 -12.491 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.531 10.156 -12.474 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.209 7.824 -10.557 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.169 9.243 -10.184 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -11.839 6.561 -12.778 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.446 9.281 -10.787 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -13.762 5.587 -13.961 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.362 8.313 -11.972 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.092 6.716 -13.348 1.00 0.76 H new ATOM 365 N SER A 23 -10.382 11.342 -10.503 1.00 0.37 N ATOM 366 CA SER A 23 -9.586 12.112 -9.577 1.00 0.39 C ATOM 367 C SER A 23 -9.900 11.682 -8.158 1.00 0.35 C ATOM 368 O SER A 23 -11.050 11.389 -7.833 1.00 0.34 O ATOM 369 CB SER A 23 -9.905 13.590 -9.729 1.00 0.45 C ATOM 370 OG SER A 23 -8.839 14.406 -9.274 1.00 0.52 O ATOM 0 H SER A 23 -11.301 11.738 -10.700 1.00 0.37 H new ATOM 0 HA SER A 23 -8.530 11.943 -9.789 1.00 0.39 H new ATOM 0 HB2 SER A 23 -10.112 13.812 -10.776 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.809 13.827 -9.168 1.00 0.45 H new ATOM 0 HG SER A 23 -9.078 15.350 -9.388 1.00 0.52 H new ATOM 376 N TRP A 24 -8.887 11.652 -7.320 1.00 0.37 N ATOM 377 CA TRP A 24 -9.085 11.338 -5.921 1.00 0.36 C ATOM 378 C TRP A 24 -9.717 12.526 -5.216 1.00 0.35 C ATOM 379 O TRP A 24 -10.721 12.382 -4.524 1.00 0.34 O ATOM 380 CB TRP A 24 -7.761 10.967 -5.254 1.00 0.45 C ATOM 381 CG TRP A 24 -7.821 11.018 -3.758 1.00 0.43 C ATOM 382 CD1 TRP A 24 -7.382 12.029 -2.953 1.00 0.96 C ATOM 383 CD2 TRP A 24 -8.361 10.021 -2.892 1.00 1.27 C ATOM 384 NE1 TRP A 24 -7.624 11.720 -1.639 1.00 0.61 N ATOM 385 CE2 TRP A 24 -8.222 10.492 -1.576 1.00 1.10 C ATOM 386 CE3 TRP A 24 -8.950 8.777 -3.102 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -8.654 9.760 -0.478 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -9.377 8.054 -2.010 1.00 3.36 C ATOM 389 CH2 TRP A 24 -9.228 8.546 -0.715 1.00 3.13 C ATOM 0 H TRP A 24 -7.919 11.841 -7.582 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.752 10.479 -5.846 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.473 9.963 -5.566 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -6.983 11.645 -5.604 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -6.913 12.938 -3.300 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -7.395 12.310 -0.839 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -9.070 8.386 -4.102 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -8.540 10.138 0.527 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -9.836 7.088 -2.160 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -9.574 7.953 0.119 1.00 3.13 H new ATOM 400 N SER A 25 -9.134 13.699 -5.427 1.00 0.39 N ATOM 401 CA SER A 25 -9.576 14.913 -4.756 1.00 0.44 C ATOM 402 C SER A 25 -11.040 15.224 -5.057 1.00 0.43 C ATOM 403 O SER A 25 -11.766 15.690 -4.181 1.00 0.49 O ATOM 404 CB SER A 25 -8.690 16.087 -5.159 1.00 0.53 C ATOM 405 OG SER A 25 -7.334 15.848 -4.811 1.00 1.37 O ATOM 0 H SER A 25 -8.348 13.835 -6.063 1.00 0.39 H new ATOM 0 HA SER A 25 -9.489 14.750 -3.682 1.00 0.44 H new ATOM 0 HB2 SER A 25 -8.769 16.254 -6.233 1.00 0.53 H new ATOM 0 HB3 SER A 25 -9.040 16.996 -4.669 1.00 0.53 H new ATOM 0 HG SER A 25 -6.787 16.615 -5.082 1.00 1.37 H new ATOM 411 N GLN A 26 -11.483 14.939 -6.281 1.00 0.40 N ATOM 412 CA GLN A 26 -12.862 15.224 -6.672 1.00 0.42 C ATOM 413 C GLN A 26 -13.868 14.450 -5.823 1.00 0.38 C ATOM 414 O GLN A 26 -15.016 14.864 -5.670 1.00 0.41 O ATOM 415 CB GLN A 26 -13.082 14.900 -8.144 1.00 0.47 C ATOM 416 CG GLN A 26 -12.346 15.839 -9.073 1.00 0.59 C ATOM 417 CD GLN A 26 -12.689 15.612 -10.531 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.036 14.502 -10.934 1.00 1.11 O ATOM 419 NE2 GLN A 26 -12.585 16.657 -11.333 1.00 1.10 N ATOM 0 H GLN A 26 -10.913 14.515 -7.013 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.025 16.289 -6.506 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.757 13.878 -8.338 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.149 14.942 -8.364 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.584 16.868 -8.805 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.272 15.713 -8.933 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.294 17.560 -10.959 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.796 16.561 -12.326 1.00 1.10 H new ATOM 428 N PHE A 27 -13.437 13.319 -5.286 1.00 0.35 N ATOM 429 CA PHE A 27 -14.307 12.474 -4.486 1.00 0.38 C ATOM 430 C PHE A 27 -13.755 12.305 -3.075 1.00 0.43 C ATOM 431 O PHE A 27 -14.143 11.385 -2.357 1.00 0.67 O ATOM 432 CB PHE A 27 -14.441 11.101 -5.145 1.00 0.43 C ATOM 433 CG PHE A 27 -14.855 11.161 -6.584 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.087 11.677 -6.946 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.003 10.712 -7.578 1.00 0.94 C ATOM 436 CE1 PHE A 27 -16.462 11.741 -8.273 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.371 10.774 -8.906 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.603 11.288 -9.255 1.00 1.28 C ATOM 0 H PHE A 27 -12.486 12.965 -5.391 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.284 12.952 -4.423 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.487 10.578 -5.072 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.171 10.511 -4.590 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.762 12.033 -6.182 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.038 10.308 -7.311 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -17.426 12.145 -8.543 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.696 10.421 -9.671 1.00 1.20 H new ATOM 0 HZ PHE A 27 -15.895 11.336 -10.294 1.00 1.28 H new ATOM 448 N SER A 28 -12.866 13.200 -2.670 1.00 0.39 N ATOM 449 CA SER A 28 -12.158 13.031 -1.413 1.00 0.42 C ATOM 450 C SER A 28 -12.758 13.877 -0.300 1.00 0.58 C ATOM 451 O SER A 28 -13.756 14.570 -0.484 1.00 1.01 O ATOM 452 CB SER A 28 -10.673 13.357 -1.572 1.00 0.62 C ATOM 453 OG SER A 28 -10.447 14.758 -1.621 1.00 1.81 O ATOM 0 H SER A 28 -12.620 14.043 -3.189 1.00 0.39 H new ATOM 0 HA SER A 28 -12.264 11.983 -1.132 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.115 12.927 -0.741 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.294 12.895 -2.484 1.00 0.62 H new ATOM 0 HG SER A 28 -10.982 15.151 -2.343 1.00 1.81 H new ATOM 459 N ASP A 29 -12.133 13.776 0.860 1.00 0.63 N ATOM 460 CA ASP A 29 -12.557 14.481 2.060 1.00 0.84 C ATOM 461 C ASP A 29 -11.396 14.513 3.051 1.00 0.88 C ATOM 462 O ASP A 29 -11.287 15.415 3.880 1.00 1.03 O ATOM 463 CB ASP A 29 -13.774 13.772 2.662 1.00 1.04 C ATOM 464 CG ASP A 29 -14.179 14.296 4.028 1.00 1.69 C ATOM 465 OD1 ASP A 29 -13.609 13.845 5.042 1.00 2.31 O ATOM 466 OD2 ASP A 29 -15.089 15.146 4.100 1.00 1.85 O ATOM 0 H ASP A 29 -11.306 13.195 0.998 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.842 15.505 1.820 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.617 13.876 1.979 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -13.559 12.707 2.742 1.00 1.04 H new ATOM 471 N VAL A 30 -10.503 13.539 2.880 1.00 0.80 N ATOM 472 CA VAL A 30 -9.358 13.307 3.759 1.00 0.82 C ATOM 473 C VAL A 30 -8.487 14.555 3.943 1.00 0.82 C ATOM 474 O VAL A 30 -8.502 15.178 5.002 1.00 0.92 O ATOM 475 CB VAL A 30 -8.497 12.151 3.184 1.00 0.81 C ATOM 476 CG1 VAL A 30 -9.140 10.811 3.475 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.324 12.305 1.678 1.00 0.76 C ATOM 0 H VAL A 30 -10.557 12.874 2.108 1.00 0.80 H new ATOM 0 HA VAL A 30 -9.750 13.044 4.742 1.00 0.82 H new ATOM 0 HB VAL A 30 -7.520 12.195 3.665 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -8.521 10.014 3.064 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -9.233 10.679 4.553 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -10.129 10.775 3.018 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -7.717 11.484 1.296 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.301 12.289 1.196 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -7.829 13.252 1.464 1.00 0.76 H new ATOM 487 N GLU A 31 -7.746 14.918 2.908 1.00 0.78 N ATOM 488 CA GLU A 31 -6.895 16.094 2.942 1.00 0.83 C ATOM 489 C GLU A 31 -7.697 17.285 2.465 1.00 0.88 C ATOM 490 O GLU A 31 -7.230 18.422 2.471 1.00 0.98 O ATOM 491 CB GLU A 31 -5.682 15.892 2.035 1.00 0.93 C ATOM 492 CG GLU A 31 -4.862 14.658 2.365 1.00 1.05 C ATOM 493 CD GLU A 31 -3.792 14.389 1.328 1.00 2.05 C ATOM 494 OE1 GLU A 31 -2.716 15.016 1.406 1.00 2.46 O ATOM 495 OE2 GLU A 31 -4.015 13.533 0.446 1.00 2.74 O ATOM 0 H GLU A 31 -7.718 14.408 2.025 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.543 16.263 3.960 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -6.022 15.824 1.001 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.040 16.771 2.103 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -4.395 14.784 3.342 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -5.522 13.794 2.436 1.00 1.05 H new ATOM 502 N GLU A 32 -8.919 16.992 2.051 1.00 0.87 N ATOM 503 CA GLU A 32 -9.797 17.984 1.479 1.00 0.98 C ATOM 504 C GLU A 32 -10.310 18.944 2.542 1.00 1.09 C ATOM 505 O GLU A 32 -10.187 20.158 2.405 1.00 1.24 O ATOM 506 CB GLU A 32 -10.962 17.300 0.762 1.00 0.98 C ATOM 507 CG GLU A 32 -12.013 18.273 0.255 1.00 1.12 C ATOM 508 CD GLU A 32 -12.938 17.660 -0.770 1.00 1.20 C ATOM 509 OE1 GLU A 32 -12.436 17.065 -1.746 1.00 1.45 O ATOM 510 OE2 GLU A 32 -14.169 17.748 -0.591 1.00 1.17 O ATOM 0 H GLU A 32 -9.325 16.058 2.105 1.00 0.87 H new ATOM 0 HA GLU A 32 -9.229 18.567 0.754 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -10.574 16.725 -0.079 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -11.432 16.591 1.443 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -12.602 18.635 1.098 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -11.517 19.139 -0.183 1.00 1.12 H new ATOM 517 N ASN A 33 -10.866 18.399 3.612 1.00 1.09 N ATOM 518 CA ASN A 33 -11.502 19.221 4.630 1.00 1.27 C ATOM 519 C ASN A 33 -10.573 19.493 5.805 1.00 1.32 C ATOM 520 O ASN A 33 -10.617 20.568 6.401 1.00 1.68 O ATOM 521 CB ASN A 33 -12.791 18.558 5.104 1.00 1.36 C ATOM 522 CG ASN A 33 -13.888 18.634 4.062 1.00 1.48 C ATOM 523 OD1 ASN A 33 -14.678 19.579 4.034 1.00 1.87 O ATOM 524 ND2 ASN A 33 -13.949 17.637 3.197 1.00 1.35 N ATOM 0 H ASN A 33 -10.890 17.396 3.798 1.00 1.09 H new ATOM 0 HA ASN A 33 -11.739 20.185 4.180 1.00 1.27 H new ATOM 0 HB2 ASN A 33 -12.593 17.514 5.346 1.00 1.36 H new ATOM 0 HB3 ASN A 33 -13.129 19.039 6.022 1.00 1.36 H new ATOM 0 HD21 ASN A 33 -14.668 17.632 2.474 1.00 1.35 H new ATOM 0 HD22 ASN A 33 -13.277 16.872 3.252 1.00 1.35 H new ATOM 531 N ARG A 34 -9.727 18.530 6.142 1.00 1.22 N ATOM 532 CA ARG A 34 -8.780 18.718 7.233 1.00 1.29 C ATOM 533 C ARG A 34 -7.360 18.491 6.746 1.00 1.17 C ATOM 534 O ARG A 34 -7.139 17.846 5.720 1.00 1.24 O ATOM 535 CB ARG A 34 -9.086 17.775 8.402 1.00 1.50 C ATOM 536 CG ARG A 34 -8.833 16.309 8.097 1.00 1.52 C ATOM 537 CD ARG A 34 -9.114 15.430 9.305 1.00 1.91 C ATOM 538 NE ARG A 34 -8.237 15.732 10.438 1.00 2.18 N ATOM 539 CZ ARG A 34 -8.489 15.360 11.693 1.00 2.65 C ATOM 540 NH1 ARG A 34 -9.578 14.656 11.980 1.00 2.89 N ATOM 541 NH2 ARG A 34 -7.644 15.686 12.660 1.00 3.39 N ATOM 0 H ARG A 34 -9.676 17.621 5.682 1.00 1.22 H new ATOM 0 HA ARG A 34 -8.878 19.745 7.586 1.00 1.29 H new ATOM 0 HB2 ARG A 34 -8.479 18.067 9.259 1.00 1.50 H new ATOM 0 HB3 ARG A 34 -10.129 17.900 8.693 1.00 1.50 H new ATOM 0 HG2 ARG A 34 -9.463 15.996 7.264 1.00 1.52 H new ATOM 0 HG3 ARG A 34 -7.798 16.176 7.782 1.00 1.52 H new ATOM 0 HD2 ARG A 34 -10.153 15.559 9.610 1.00 1.91 H new ATOM 0 HD3 ARG A 34 -8.992 14.384 9.025 1.00 1.91 H new ATOM 0 HE ARG A 34 -7.382 16.258 10.256 1.00 2.18 H new ATOM 0 HH11 ARG A 34 -10.228 14.397 11.238 1.00 2.89 H new ATOM 0 HH12 ARG A 34 -9.764 14.375 12.943 1.00 2.89 H new ATOM 0 HH21 ARG A 34 -6.803 16.221 12.443 1.00 3.39 H new ATOM 0 HH22 ARG A 34 -7.835 15.402 13.621 1.00 3.39 H new ATOM 555 N THR A 35 -6.403 19.028 7.478 1.00 1.31 N ATOM 556 CA THR A 35 -5.005 18.829 7.164 1.00 1.39 C ATOM 557 C THR A 35 -4.285 18.167 8.328 1.00 1.34 C ATOM 558 O THR A 35 -4.005 18.793 9.350 1.00 1.55 O ATOM 559 CB THR A 35 -4.303 20.147 6.819 1.00 1.82 C ATOM 560 OG1 THR A 35 -4.635 21.161 7.782 1.00 2.05 O ATOM 561 CG2 THR A 35 -4.677 20.618 5.422 1.00 2.25 C ATOM 0 H THR A 35 -6.572 19.609 8.299 1.00 1.31 H new ATOM 0 HA THR A 35 -4.965 18.180 6.289 1.00 1.39 H new ATOM 0 HB THR A 35 -3.228 19.969 6.846 1.00 1.82 H new ATOM 0 HG1 THR A 35 -4.579 20.785 8.685 1.00 2.05 H new ATOM 0 HG21 THR A 35 -4.164 21.555 5.205 1.00 2.25 H new ATOM 0 HG22 THR A 35 -4.381 19.864 4.692 1.00 2.25 H new ATOM 0 HG23 THR A 35 -5.755 20.773 5.366 1.00 2.25 H new ATOM 569 N GLU A 36 -4.025 16.888 8.175 1.00 1.44 N ATOM 570 CA GLU A 36 -3.364 16.114 9.201 1.00 1.68 C ATOM 571 C GLU A 36 -1.889 15.914 8.880 1.00 1.43 C ATOM 572 O GLU A 36 -1.032 16.703 9.282 1.00 1.46 O ATOM 573 CB GLU A 36 -4.088 14.775 9.373 1.00 2.17 C ATOM 574 CG GLU A 36 -4.319 13.979 8.093 1.00 2.49 C ATOM 575 CD GLU A 36 -5.145 12.732 8.335 1.00 2.96 C ATOM 576 OE1 GLU A 36 -4.611 11.766 8.918 1.00 3.30 O ATOM 577 OE2 GLU A 36 -6.328 12.709 7.948 1.00 3.34 O ATOM 0 H GLU A 36 -4.265 16.356 7.338 1.00 1.44 H new ATOM 0 HA GLU A 36 -3.409 16.661 10.143 1.00 1.68 H new ATOM 0 HB2 GLU A 36 -3.513 14.158 10.064 1.00 2.17 H new ATOM 0 HB3 GLU A 36 -5.054 14.963 9.842 1.00 2.17 H new ATOM 0 HG2 GLU A 36 -4.823 14.610 7.361 1.00 2.49 H new ATOM 0 HG3 GLU A 36 -3.357 13.698 7.664 1.00 2.49 H new ATOM 584 N ALA A 37 -1.614 14.862 8.151 1.00 1.50 N ATOM 585 CA ALA A 37 -0.263 14.539 7.725 1.00 1.39 C ATOM 586 C ALA A 37 0.245 15.527 6.681 1.00 1.27 C ATOM 587 O ALA A 37 -0.538 16.093 5.916 1.00 1.58 O ATOM 588 CB ALA A 37 -0.212 13.127 7.166 1.00 1.92 C ATOM 0 H ALA A 37 -2.320 14.198 7.831 1.00 1.50 H new ATOM 0 HA ALA A 37 0.385 14.607 8.599 1.00 1.39 H new ATOM 0 HB1 ALA A 37 0.806 12.897 6.850 1.00 1.92 H new ATOM 0 HB2 ALA A 37 -0.522 12.420 7.935 1.00 1.92 H new ATOM 0 HB3 ALA A 37 -0.883 13.050 6.311 1.00 1.92 H new ATOM 594 N PRO A 38 1.565 15.778 6.683 1.00 1.10 N ATOM 595 CA PRO A 38 2.252 16.526 5.617 1.00 1.43 C ATOM 596 C PRO A 38 2.019 15.916 4.228 1.00 1.79 C ATOM 597 O PRO A 38 1.226 14.990 4.065 1.00 1.87 O ATOM 598 CB PRO A 38 3.732 16.412 6.020 1.00 1.34 C ATOM 599 CG PRO A 38 3.698 16.239 7.492 1.00 1.26 C ATOM 600 CD PRO A 38 2.490 15.396 7.763 1.00 1.01 C ATOM 0 HA PRO A 38 1.892 17.551 5.532 1.00 1.43 H new ATOM 0 HB2 PRO A 38 4.213 15.565 5.531 1.00 1.34 H new ATOM 0 HB3 PRO A 38 4.291 17.304 5.737 1.00 1.34 H new ATOM 0 HG2 PRO A 38 4.605 15.754 7.852 1.00 1.26 H new ATOM 0 HG3 PRO A 38 3.628 17.201 8.000 1.00 1.26 H new ATOM 0 HD2 PRO A 38 2.726 14.332 7.734 1.00 1.01 H new ATOM 0 HD3 PRO A 38 2.068 15.602 8.747 1.00 1.01 H new ATOM 608 N GLU A 39 2.709 16.440 3.225 1.00 2.28 N ATOM 609 CA GLU A 39 2.593 15.909 1.872 1.00 2.76 C ATOM 610 C GLU A 39 3.588 14.772 1.662 1.00 2.66 C ATOM 611 O GLU A 39 3.866 14.364 0.533 1.00 3.08 O ATOM 612 CB GLU A 39 2.828 17.009 0.841 1.00 3.38 C ATOM 613 CG GLU A 39 4.214 17.617 0.905 1.00 3.52 C ATOM 614 CD GLU A 39 4.407 18.696 -0.134 1.00 4.22 C ATOM 615 OE1 GLU A 39 4.035 19.857 0.128 1.00 4.44 O ATOM 616 OE2 GLU A 39 4.942 18.389 -1.218 1.00 4.64 O ATOM 0 H GLU A 39 3.351 17.227 3.320 1.00 2.28 H new ATOM 0 HA GLU A 39 1.583 15.522 1.741 1.00 2.76 H new ATOM 0 HB2 GLU A 39 2.666 16.601 -0.156 1.00 3.38 H new ATOM 0 HB3 GLU A 39 2.088 17.796 0.987 1.00 3.38 H new ATOM 0 HG2 GLU A 39 4.381 18.035 1.898 1.00 3.52 H new ATOM 0 HG3 GLU A 39 4.960 16.836 0.759 1.00 3.52 H new ATOM 623 N GLY A 40 4.120 14.271 2.759 1.00 2.15 N ATOM 624 CA GLY A 40 5.053 13.173 2.698 1.00 2.04 C ATOM 625 C GLY A 40 6.167 13.331 3.700 1.00 1.57 C ATOM 626 O GLY A 40 7.331 13.440 3.324 1.00 1.75 O ATOM 0 H GLY A 40 3.920 14.609 3.700 1.00 2.15 H new ATOM 0 HA2 GLY A 40 4.526 12.237 2.884 1.00 2.04 H new ATOM 0 HA3 GLY A 40 5.473 13.108 1.694 1.00 2.04 H new ATOM 630 N THR A 41 5.818 13.344 4.979 1.00 1.12 N ATOM 631 CA THR A 41 6.810 13.552 6.020 1.00 0.86 C ATOM 632 C THR A 41 7.757 12.341 6.114 1.00 0.75 C ATOM 633 O THR A 41 8.899 12.403 5.658 1.00 0.85 O ATOM 634 CB THR A 41 6.128 13.833 7.380 1.00 0.80 C ATOM 635 OG1 THR A 41 7.065 13.715 8.453 1.00 0.95 O ATOM 636 CG2 THR A 41 4.941 12.909 7.617 1.00 0.91 C ATOM 0 H THR A 41 4.864 13.214 5.317 1.00 1.12 H new ATOM 0 HA THR A 41 7.405 14.427 5.758 1.00 0.86 H new ATOM 0 HB THR A 41 5.756 14.857 7.348 1.00 0.80 H new ATOM 0 HG1 THR A 41 6.613 13.898 9.303 1.00 0.95 H new ATOM 0 HG21 THR A 41 4.489 13.138 8.582 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.204 13.054 6.828 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.280 11.873 7.611 1.00 0.91 H new ATOM 644 N GLU A 42 7.278 11.241 6.687 1.00 0.69 N ATOM 645 CA GLU A 42 7.981 9.964 6.617 1.00 0.66 C ATOM 646 C GLU A 42 7.452 9.194 5.424 1.00 0.54 C ATOM 647 O GLU A 42 8.158 8.425 4.773 1.00 0.56 O ATOM 648 CB GLU A 42 7.750 9.146 7.892 1.00 0.74 C ATOM 649 CG GLU A 42 6.330 8.602 8.035 1.00 0.65 C ATOM 650 CD GLU A 42 6.103 7.895 9.352 1.00 1.20 C ATOM 651 OE1 GLU A 42 6.645 6.791 9.546 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.380 8.444 10.206 1.00 1.17 O ATOM 0 H GLU A 42 6.401 11.209 7.208 1.00 0.69 H new ATOM 0 HA GLU A 42 9.051 10.146 6.516 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.451 8.311 7.907 1.00 0.74 H new ATOM 0 HB3 GLU A 42 7.978 9.769 8.757 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.620 9.424 7.942 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.127 7.911 7.217 1.00 0.65 H new ATOM 659 N SER A 43 6.186 9.460 5.166 1.00 0.48 N ATOM 660 CA SER A 43 5.367 8.744 4.214 1.00 0.43 C ATOM 661 C SER A 43 5.944 8.730 2.814 1.00 0.43 C ATOM 662 O SER A 43 5.797 7.742 2.109 1.00 0.49 O ATOM 663 CB SER A 43 4.016 9.415 4.195 1.00 0.50 C ATOM 664 OG SER A 43 4.017 10.529 5.078 1.00 1.25 O ATOM 0 H SER A 43 5.682 10.213 5.635 1.00 0.48 H new ATOM 0 HA SER A 43 5.309 7.701 4.526 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.777 9.742 3.183 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.244 8.705 4.492 1.00 0.50 H new ATOM 0 HG SER A 43 3.127 10.940 5.087 1.00 1.25 H new ATOM 670 N GLU A 44 6.584 9.825 2.430 1.00 0.46 N ATOM 671 CA GLU A 44 7.068 10.014 1.063 1.00 0.52 C ATOM 672 C GLU A 44 7.772 8.762 0.533 1.00 0.51 C ATOM 673 O GLU A 44 7.403 8.236 -0.515 1.00 0.58 O ATOM 674 CB GLU A 44 8.009 11.220 1.007 1.00 0.61 C ATOM 675 CG GLU A 44 8.513 11.548 -0.388 1.00 0.72 C ATOM 676 CD GLU A 44 9.331 12.823 -0.425 1.00 1.17 C ATOM 677 OE1 GLU A 44 8.737 13.905 -0.605 1.00 1.29 O ATOM 678 OE2 GLU A 44 10.569 12.751 -0.273 1.00 1.91 O ATOM 0 H GLU A 44 6.784 10.608 3.053 1.00 0.46 H new ATOM 0 HA GLU A 44 6.205 10.199 0.423 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.491 12.091 1.409 1.00 0.61 H new ATOM 0 HB3 GLU A 44 8.864 11.031 1.656 1.00 0.61 H new ATOM 0 HG2 GLU A 44 9.120 10.720 -0.756 1.00 0.72 H new ATOM 0 HG3 GLU A 44 7.664 11.645 -1.064 1.00 0.72 H new ATOM 685 N ALA A 45 8.753 8.272 1.279 1.00 0.48 N ATOM 686 CA ALA A 45 9.503 7.088 0.871 1.00 0.48 C ATOM 687 C ALA A 45 8.671 5.816 1.006 1.00 0.41 C ATOM 688 O ALA A 45 8.741 4.934 0.149 1.00 0.41 O ATOM 689 CB ALA A 45 10.782 6.968 1.682 1.00 0.52 C ATOM 0 H ALA A 45 9.049 8.674 2.169 1.00 0.48 H new ATOM 0 HA ALA A 45 9.757 7.207 -0.182 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.331 6.081 1.367 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.399 7.852 1.522 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.535 6.885 2.740 1.00 0.52 H new ATOM 695 N VAL A 46 7.874 5.721 2.067 1.00 0.37 N ATOM 696 CA VAL A 46 7.123 4.497 2.335 1.00 0.34 C ATOM 697 C VAL A 46 5.985 4.321 1.330 1.00 0.34 C ATOM 698 O VAL A 46 5.776 3.230 0.823 1.00 0.39 O ATOM 699 CB VAL A 46 6.606 4.416 3.805 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.086 5.589 4.633 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.097 4.313 3.897 1.00 1.13 C ATOM 0 H VAL A 46 7.732 6.467 2.748 1.00 0.37 H new ATOM 0 HA VAL A 46 7.818 3.667 2.210 1.00 0.34 H new ATOM 0 HB VAL A 46 7.027 3.496 4.210 1.00 0.49 H new ATOM 0 HG11 VAL A 46 6.705 5.496 5.650 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.176 5.599 4.653 1.00 1.41 H new ATOM 0 HG13 VAL A 46 6.723 6.518 4.193 1.00 1.41 H new ATOM 0 HG21 VAL A 46 4.799 4.260 4.944 1.00 1.13 H new ATOM 0 HG22 VAL A 46 4.644 5.190 3.435 1.00 1.13 H new ATOM 0 HG23 VAL A 46 4.761 3.415 3.378 1.00 1.13 H new ATOM 711 N LYS A 47 5.284 5.405 1.010 1.00 0.34 N ATOM 712 CA LYS A 47 4.194 5.352 0.040 1.00 0.36 C ATOM 713 C LYS A 47 4.774 5.166 -1.362 1.00 0.39 C ATOM 714 O LYS A 47 4.153 4.549 -2.225 1.00 0.43 O ATOM 715 CB LYS A 47 3.347 6.629 0.125 1.00 0.38 C ATOM 716 CG LYS A 47 3.998 7.844 -0.507 1.00 0.49 C ATOM 717 CD LYS A 47 3.688 9.111 0.231 1.00 0.47 C ATOM 718 CE LYS A 47 2.213 9.352 0.337 1.00 0.47 C ATOM 719 NZ LYS A 47 1.670 10.090 -0.832 1.00 0.67 N ATOM 0 H LYS A 47 5.451 6.330 1.407 1.00 0.34 H new ATOM 0 HA LYS A 47 3.544 4.506 0.264 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.388 6.450 -0.361 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.138 6.845 1.173 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.078 7.699 -0.536 1.00 0.49 H new ATOM 0 HG3 LYS A 47 3.661 7.937 -1.539 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.120 9.063 1.230 1.00 0.47 H new ATOM 0 HD3 LYS A 47 4.157 9.952 -0.280 1.00 0.47 H new ATOM 0 HE2 LYS A 47 1.698 8.396 0.430 1.00 0.47 H new ATOM 0 HE3 LYS A 47 2.005 9.916 1.247 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 0.657 10.275 -0.686 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 2.175 10.993 -0.938 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.797 9.519 -1.692 1.00 0.67 H new ATOM 733 N GLN A 48 5.981 5.688 -1.571 1.00 0.40 N ATOM 734 CA GLN A 48 6.712 5.439 -2.805 1.00 0.46 C ATOM 735 C GLN A 48 7.056 3.966 -2.924 1.00 0.45 C ATOM 736 O GLN A 48 7.070 3.414 -4.017 1.00 0.50 O ATOM 737 CB GLN A 48 7.998 6.262 -2.871 1.00 0.52 C ATOM 738 CG GLN A 48 7.857 7.586 -3.603 1.00 0.58 C ATOM 739 CD GLN A 48 7.214 7.453 -4.972 1.00 0.67 C ATOM 740 OE1 GLN A 48 7.326 6.283 -5.582 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 6.596 8.393 -5.470 1.00 0.63 N flip ATOM 0 H GLN A 48 6.470 6.284 -0.902 1.00 0.40 H new ATOM 0 HA GLN A 48 6.067 5.737 -3.632 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.343 6.457 -1.856 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.770 5.669 -3.362 1.00 0.52 H new ATOM 0 HG2 GLN A 48 7.262 8.267 -2.995 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.843 8.037 -3.715 1.00 0.58 H new ATOM 0 HE21 GLN A 48 6.530 9.281 -4.972 1.00 0.63 H new ATOM 0 HE22 GLN A 48 6.150 8.285 -6.381 1.00 0.63 H new ATOM 750 N ALA A 49 7.350 3.344 -1.795 1.00 0.42 N ATOM 751 CA ALA A 49 7.625 1.918 -1.754 1.00 0.41 C ATOM 752 C ALA A 49 6.333 1.119 -1.878 1.00 0.39 C ATOM 753 O ALA A 49 6.302 0.051 -2.489 1.00 0.42 O ATOM 754 CB ALA A 49 8.345 1.560 -0.466 1.00 0.42 C ATOM 0 H ALA A 49 7.405 3.808 -0.888 1.00 0.42 H new ATOM 0 HA ALA A 49 8.268 1.665 -2.597 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.546 0.489 -0.447 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.287 2.107 -0.411 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.720 1.827 0.386 1.00 0.42 H new ATOM 760 N LEU A 50 5.264 1.669 -1.314 1.00 0.38 N ATOM 761 CA LEU A 50 3.982 1.026 -1.270 1.00 0.40 C ATOM 762 C LEU A 50 3.390 0.817 -2.659 1.00 0.41 C ATOM 763 O LEU A 50 2.640 -0.131 -2.877 1.00 0.43 O ATOM 764 CB LEU A 50 3.051 1.881 -0.418 1.00 0.45 C ATOM 765 CG LEU A 50 3.273 1.807 1.093 1.00 0.69 C ATOM 766 CD1 LEU A 50 2.088 2.393 1.833 1.00 1.33 C ATOM 767 CD2 LEU A 50 3.501 0.380 1.533 1.00 1.20 C ATOM 0 H LEU A 50 5.277 2.588 -0.871 1.00 0.38 H new ATOM 0 HA LEU A 50 4.102 0.034 -0.834 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.156 2.920 -0.731 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.023 1.586 -0.630 1.00 0.45 H new ATOM 0 HG LEU A 50 4.162 2.390 1.332 1.00 0.69 H new ATOM 0 HD11 LEU A 50 2.263 2.332 2.907 1.00 1.33 H new ATOM 0 HD12 LEU A 50 1.959 3.436 1.545 1.00 1.33 H new ATOM 0 HD13 LEU A 50 1.188 1.833 1.580 1.00 1.33 H new ATOM 0 HD21 LEU A 50 3.657 0.352 2.611 1.00 1.20 H new ATOM 0 HD22 LEU A 50 2.630 -0.223 1.276 1.00 1.20 H new ATOM 0 HD23 LEU A 50 4.381 -0.020 1.029 1.00 1.20 H new ATOM 779 N ARG A 51 3.745 1.673 -3.609 1.00 0.44 N ATOM 780 CA ARG A 51 3.167 1.583 -4.943 1.00 0.50 C ATOM 781 C ARG A 51 3.896 0.505 -5.726 1.00 0.52 C ATOM 782 O ARG A 51 3.327 -0.175 -6.580 1.00 0.59 O ATOM 783 CB ARG A 51 3.282 2.926 -5.662 1.00 0.53 C ATOM 784 CG ARG A 51 4.716 3.297 -5.981 1.00 0.52 C ATOM 785 CD ARG A 51 4.844 4.683 -6.570 1.00 0.73 C ATOM 786 NE ARG A 51 3.927 4.917 -7.684 1.00 1.21 N ATOM 787 CZ ARG A 51 4.175 4.585 -8.952 1.00 1.63 C ATOM 788 NH1 ARG A 51 5.237 3.844 -9.267 1.00 1.96 N ATOM 789 NH2 ARG A 51 3.337 4.974 -9.905 1.00 2.17 N ATOM 0 H ARG A 51 4.420 2.427 -3.484 1.00 0.44 H new ATOM 0 HA ARG A 51 2.110 1.327 -4.865 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.706 2.889 -6.587 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.839 3.705 -5.042 1.00 0.53 H new ATOM 0 HG2 ARG A 51 5.313 3.237 -5.071 1.00 0.52 H new ATOM 0 HG3 ARG A 51 5.128 2.570 -6.681 1.00 0.52 H new ATOM 0 HD2 ARG A 51 4.656 5.422 -5.791 1.00 0.73 H new ATOM 0 HD3 ARG A 51 5.868 4.833 -6.912 1.00 0.73 H new ATOM 0 HE ARG A 51 3.035 5.366 -7.477 1.00 1.21 H new ATOM 0 HH11 ARG A 51 5.871 3.524 -8.535 1.00 1.96 H new ATOM 0 HH12 ARG A 51 5.416 3.597 -10.240 1.00 1.96 H new ATOM 0 HH21 ARG A 51 2.511 5.522 -9.665 1.00 2.17 H new ATOM 0 HH22 ARG A 51 3.519 4.725 -10.877 1.00 2.17 H new ATOM 803 N GLU A 52 5.164 0.355 -5.388 1.00 0.49 N ATOM 804 CA GLU A 52 6.048 -0.594 -6.030 1.00 0.54 C ATOM 805 C GLU A 52 5.725 -2.002 -5.554 1.00 0.53 C ATOM 806 O GLU A 52 5.534 -2.916 -6.358 1.00 0.58 O ATOM 807 CB GLU A 52 7.484 -0.221 -5.676 1.00 0.59 C ATOM 808 CG GLU A 52 7.784 1.259 -5.882 1.00 0.63 C ATOM 809 CD GLU A 52 8.051 1.603 -7.330 1.00 0.87 C ATOM 810 OE1 GLU A 52 9.116 1.204 -7.846 1.00 1.10 O ATOM 811 OE2 GLU A 52 7.203 2.269 -7.960 1.00 1.07 O ATOM 0 H GLU A 52 5.612 0.897 -4.650 1.00 0.49 H new ATOM 0 HA GLU A 52 5.919 -0.566 -7.112 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.675 -0.483 -4.635 1.00 0.59 H new ATOM 0 HB3 GLU A 52 8.168 -0.813 -6.285 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.942 1.850 -5.521 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.650 1.537 -5.281 1.00 0.63 H new ATOM 818 N ALA A 53 5.643 -2.161 -4.238 1.00 0.49 N ATOM 819 CA ALA A 53 5.252 -3.430 -3.645 1.00 0.48 C ATOM 820 C ALA A 53 3.813 -3.748 -4.009 1.00 0.49 C ATOM 821 O ALA A 53 3.445 -4.909 -4.187 1.00 0.53 O ATOM 822 CB ALA A 53 5.414 -3.387 -2.135 1.00 0.45 C ATOM 0 H ALA A 53 5.843 -1.424 -3.562 1.00 0.49 H new ATOM 0 HA ALA A 53 5.901 -4.213 -4.037 1.00 0.48 H new ATOM 0 HB1 ALA A 53 5.116 -4.345 -1.710 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.456 -3.188 -1.886 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.786 -2.597 -1.724 1.00 0.45 H new ATOM 828 N GLY A 54 3.008 -2.696 -4.110 1.00 0.49 N ATOM 829 CA GLY A 54 1.626 -2.845 -4.495 1.00 0.53 C ATOM 830 C GLY A 54 1.490 -3.497 -5.845 1.00 0.60 C ATOM 831 O GLY A 54 0.882 -4.553 -5.960 1.00 0.70 O ATOM 0 H GLY A 54 3.297 -1.735 -3.929 1.00 0.49 H new ATOM 0 HA2 GLY A 54 1.103 -3.442 -3.748 1.00 0.53 H new ATOM 0 HA3 GLY A 54 1.146 -1.866 -4.514 1.00 0.53 H new ATOM 835 N ASP A 55 2.101 -2.891 -6.856 1.00 0.61 N ATOM 836 CA ASP A 55 2.001 -3.385 -8.229 1.00 0.69 C ATOM 837 C ASP A 55 2.430 -4.846 -8.324 1.00 0.70 C ATOM 838 O ASP A 55 1.772 -5.656 -8.981 1.00 0.79 O ATOM 839 CB ASP A 55 2.855 -2.529 -9.163 1.00 0.73 C ATOM 840 CG ASP A 55 2.793 -3.014 -10.599 1.00 0.85 C ATOM 841 OD1 ASP A 55 1.712 -2.909 -11.223 1.00 1.04 O ATOM 842 OD2 ASP A 55 3.821 -3.507 -11.111 1.00 0.82 O ATOM 0 H ASP A 55 2.674 -2.053 -6.753 1.00 0.61 H new ATOM 0 HA ASP A 55 0.957 -3.316 -8.534 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.517 -1.494 -9.116 1.00 0.73 H new ATOM 0 HB3 ASP A 55 3.890 -2.542 -8.821 1.00 0.73 H new ATOM 847 N GLU A 56 3.521 -5.172 -7.644 1.00 0.66 N ATOM 848 CA GLU A 56 4.033 -6.539 -7.592 1.00 0.74 C ATOM 849 C GLU A 56 3.005 -7.498 -7.003 1.00 0.77 C ATOM 850 O GLU A 56 2.927 -8.663 -7.389 1.00 0.88 O ATOM 851 CB GLU A 56 5.313 -6.582 -6.759 1.00 0.79 C ATOM 852 CG GLU A 56 6.513 -5.944 -7.439 1.00 1.24 C ATOM 853 CD GLU A 56 7.028 -6.775 -8.594 1.00 1.52 C ATOM 854 OE1 GLU A 56 7.714 -7.789 -8.353 1.00 1.43 O ATOM 855 OE2 GLU A 56 6.752 -6.412 -9.759 1.00 2.29 O ATOM 0 H GLU A 56 4.076 -4.500 -7.114 1.00 0.66 H new ATOM 0 HA GLU A 56 4.246 -6.856 -8.613 1.00 0.74 H new ATOM 0 HB2 GLU A 56 5.134 -6.076 -5.810 1.00 0.79 H new ATOM 0 HB3 GLU A 56 5.549 -7.621 -6.527 1.00 0.79 H new ATOM 0 HG2 GLU A 56 6.238 -4.953 -7.801 1.00 1.24 H new ATOM 0 HG3 GLU A 56 7.311 -5.807 -6.709 1.00 1.24 H new ATOM 862 N PHE A 57 2.232 -7.004 -6.060 1.00 0.71 N ATOM 863 CA PHE A 57 1.219 -7.812 -5.406 1.00 0.75 C ATOM 864 C PHE A 57 -0.057 -7.895 -6.249 1.00 0.78 C ATOM 865 O PHE A 57 -0.674 -8.957 -6.356 1.00 0.91 O ATOM 866 CB PHE A 57 0.898 -7.250 -4.018 1.00 0.76 C ATOM 867 CG PHE A 57 -0.017 -8.140 -3.230 1.00 1.09 C ATOM 868 CD1 PHE A 57 0.484 -9.245 -2.564 1.00 1.37 C ATOM 869 CD2 PHE A 57 -1.376 -7.887 -3.174 1.00 1.71 C ATOM 870 CE1 PHE A 57 -0.352 -10.077 -1.853 1.00 1.79 C ATOM 871 CE2 PHE A 57 -2.219 -8.720 -2.468 1.00 2.29 C ATOM 872 CZ PHE A 57 -1.708 -9.816 -1.806 1.00 2.20 C ATOM 0 H PHE A 57 2.285 -6.042 -5.726 1.00 0.71 H new ATOM 0 HA PHE A 57 1.619 -8.820 -5.296 1.00 0.75 H new ATOM 0 HB2 PHE A 57 1.826 -7.109 -3.464 1.00 0.76 H new ATOM 0 HB3 PHE A 57 0.438 -6.268 -4.126 1.00 0.76 H new ATOM 0 HD1 PHE A 57 1.542 -9.457 -2.602 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -1.781 -7.028 -3.688 1.00 1.71 H new ATOM 0 HE1 PHE A 57 0.052 -10.933 -1.333 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -3.279 -8.514 -2.434 1.00 2.29 H new ATOM 0 HZ PHE A 57 -2.366 -10.469 -1.252 1.00 2.20 H new ATOM 882 N GLU A 58 -0.438 -6.775 -6.852 1.00 0.73 N ATOM 883 CA GLU A 58 -1.707 -6.672 -7.573 1.00 0.82 C ATOM 884 C GLU A 58 -1.758 -7.615 -8.756 1.00 0.82 C ATOM 885 O GLU A 58 -2.773 -8.265 -8.991 1.00 0.89 O ATOM 886 CB GLU A 58 -1.936 -5.245 -8.054 1.00 0.86 C ATOM 887 CG GLU A 58 -1.795 -4.229 -6.949 1.00 0.91 C ATOM 888 CD GLU A 58 -2.078 -2.820 -7.397 1.00 0.93 C ATOM 889 OE1 GLU A 58 -1.639 -2.459 -8.507 1.00 1.30 O ATOM 890 OE2 GLU A 58 -2.733 -2.060 -6.642 1.00 1.24 O ATOM 0 H GLU A 58 0.116 -5.919 -6.857 1.00 0.73 H new ATOM 0 HA GLU A 58 -2.496 -6.953 -6.875 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.224 -5.015 -8.847 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -2.933 -5.168 -8.488 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -2.475 -4.488 -6.137 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -0.783 -4.279 -6.546 1.00 0.91 H new ATOM 897 N LEU A 59 -0.655 -7.697 -9.488 1.00 0.81 N ATOM 898 CA LEU A 59 -0.580 -8.554 -10.666 1.00 0.87 C ATOM 899 C LEU A 59 -0.832 -10.014 -10.312 1.00 0.85 C ATOM 900 O LEU A 59 -1.152 -10.829 -11.175 1.00 0.96 O ATOM 901 CB LEU A 59 0.780 -8.395 -11.351 1.00 0.96 C ATOM 902 CG LEU A 59 2.011 -8.604 -10.462 1.00 1.06 C ATOM 903 CD1 LEU A 59 2.358 -10.077 -10.319 1.00 1.54 C ATOM 904 CD2 LEU A 59 3.192 -7.841 -11.019 1.00 1.46 C ATOM 0 H LEU A 59 0.201 -7.180 -9.287 1.00 0.81 H new ATOM 0 HA LEU A 59 -1.363 -8.242 -11.357 1.00 0.87 H new ATOM 0 HB2 LEU A 59 0.831 -9.101 -12.180 1.00 0.96 H new ATOM 0 HB3 LEU A 59 0.833 -7.395 -11.781 1.00 0.96 H new ATOM 0 HG LEU A 59 1.772 -8.223 -9.469 1.00 1.06 H new ATOM 0 HD11 LEU A 59 3.236 -10.184 -9.682 1.00 1.54 H new ATOM 0 HD12 LEU A 59 1.518 -10.607 -9.871 1.00 1.54 H new ATOM 0 HD13 LEU A 59 2.570 -10.498 -11.302 1.00 1.54 H new ATOM 0 HD21 LEU A 59 4.061 -7.997 -10.379 1.00 1.46 H new ATOM 0 HD22 LEU A 59 3.414 -8.197 -12.025 1.00 1.46 H new ATOM 0 HD23 LEU A 59 2.954 -6.778 -11.055 1.00 1.46 H new ATOM 916 N ARG A 60 -0.683 -10.338 -9.037 1.00 0.83 N ATOM 917 CA ARG A 60 -0.880 -11.700 -8.578 1.00 0.90 C ATOM 918 C ARG A 60 -2.371 -12.013 -8.415 1.00 0.98 C ATOM 919 O ARG A 60 -2.872 -12.992 -8.965 1.00 1.15 O ATOM 920 CB ARG A 60 -0.157 -11.939 -7.247 1.00 1.03 C ATOM 921 CG ARG A 60 1.304 -11.516 -7.249 1.00 1.00 C ATOM 922 CD ARG A 60 2.019 -11.956 -5.980 1.00 1.07 C ATOM 923 NE ARG A 60 2.174 -13.408 -5.926 1.00 1.41 N ATOM 924 CZ ARG A 60 1.600 -14.187 -5.013 1.00 1.94 C ATOM 925 NH1 ARG A 60 0.882 -13.650 -4.032 1.00 2.43 N ATOM 926 NH2 ARG A 60 1.760 -15.501 -5.070 1.00 2.58 N ATOM 0 H ARG A 60 -0.427 -9.676 -8.304 1.00 0.83 H new ATOM 0 HA ARG A 60 -0.460 -12.364 -9.333 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -0.680 -11.397 -6.459 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -0.217 -12.999 -6.998 1.00 1.03 H new ATOM 0 HG2 ARG A 60 1.806 -11.945 -8.117 1.00 1.00 H new ATOM 0 HG3 ARG A 60 1.369 -10.432 -7.346 1.00 1.00 H new ATOM 0 HD2 ARG A 60 3.000 -11.483 -5.932 1.00 1.07 H new ATOM 0 HD3 ARG A 60 1.458 -11.617 -5.109 1.00 1.07 H new ATOM 0 HE ARG A 60 2.759 -13.852 -6.633 1.00 1.41 H new ATOM 0 HH11 ARG A 60 0.770 -12.638 -3.977 1.00 2.43 H new ATOM 0 HH12 ARG A 60 0.443 -14.250 -3.334 1.00 2.43 H new ATOM 0 HH21 ARG A 60 2.323 -15.914 -5.813 1.00 2.58 H new ATOM 0 HH22 ARG A 60 1.320 -16.099 -4.370 1.00 2.58 H new ATOM 940 N TYR A 61 -3.075 -11.178 -7.651 1.00 1.04 N ATOM 941 CA TYR A 61 -4.468 -11.458 -7.294 1.00 1.26 C ATOM 942 C TYR A 61 -5.465 -10.836 -8.275 1.00 1.32 C ATOM 943 O TYR A 61 -6.670 -11.071 -8.158 1.00 1.59 O ATOM 944 CB TYR A 61 -4.771 -10.958 -5.872 1.00 1.52 C ATOM 945 CG TYR A 61 -5.018 -9.461 -5.766 1.00 2.19 C ATOM 946 CD1 TYR A 61 -6.283 -8.924 -5.953 1.00 2.84 C ATOM 947 CD2 TYR A 61 -3.972 -8.586 -5.485 1.00 2.70 C ATOM 948 CE1 TYR A 61 -6.500 -7.560 -5.865 1.00 3.86 C ATOM 949 CE2 TYR A 61 -4.181 -7.227 -5.392 1.00 3.67 C ATOM 950 CZ TYR A 61 -5.496 -6.727 -5.555 1.00 4.23 C ATOM 951 OH TYR A 61 -5.648 -5.361 -5.498 1.00 5.32 O ATOM 0 H TYR A 61 -2.707 -10.307 -7.269 1.00 1.04 H new ATOM 0 HA TYR A 61 -4.588 -12.540 -7.341 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -5.647 -11.485 -5.495 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -3.936 -11.222 -5.223 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -7.112 -9.581 -6.171 1.00 2.84 H new ATOM 0 HD2 TYR A 61 -2.977 -8.980 -5.337 1.00 2.70 H new ATOM 0 HE1 TYR A 61 -7.487 -7.163 -6.048 1.00 3.86 H new ATOM 0 HE2 TYR A 61 -3.357 -6.556 -5.198 1.00 3.67 H new ATOM 0 HH TYR A 61 -4.790 -4.946 -5.269 1.00 5.32 H new ATOM 961 N ARG A 62 -4.965 -10.046 -9.226 1.00 1.28 N ATOM 962 CA ARG A 62 -5.822 -9.228 -10.093 1.00 1.39 C ATOM 963 C ARG A 62 -6.943 -10.044 -10.736 1.00 1.07 C ATOM 964 O ARG A 62 -8.073 -9.570 -10.855 1.00 1.30 O ATOM 965 CB ARG A 62 -4.989 -8.530 -11.174 1.00 1.72 C ATOM 966 CG ARG A 62 -5.787 -7.539 -12.006 1.00 2.15 C ATOM 967 CD ARG A 62 -4.894 -6.706 -12.908 1.00 2.51 C ATOM 968 NE ARG A 62 -5.654 -5.697 -13.646 1.00 3.10 N ATOM 969 CZ ARG A 62 -5.145 -4.547 -14.086 1.00 3.59 C ATOM 970 NH1 ARG A 62 -3.881 -4.234 -13.829 1.00 3.59 N ATOM 971 NH2 ARG A 62 -5.904 -3.708 -14.781 1.00 4.48 N ATOM 0 H ARG A 62 -3.967 -9.953 -9.418 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.289 -8.475 -9.458 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.157 -8.009 -10.701 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.559 -9.284 -11.834 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.514 -8.078 -12.613 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -6.350 -6.880 -11.344 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -4.127 -6.216 -12.308 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -4.378 -7.359 -13.612 1.00 2.51 H new ATOM 0 HE ARG A 62 -6.638 -5.886 -13.836 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.296 -4.875 -13.293 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -3.495 -3.353 -14.168 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -6.877 -3.944 -14.978 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -5.514 -2.828 -15.118 1.00 4.48 H new ATOM 985 N ARG A 63 -6.629 -11.268 -11.125 1.00 0.98 N ATOM 986 CA ARG A 63 -7.598 -12.162 -11.751 1.00 1.19 C ATOM 987 C ARG A 63 -8.875 -12.306 -10.912 1.00 1.20 C ATOM 988 O ARG A 63 -9.980 -12.350 -11.454 1.00 1.45 O ATOM 989 CB ARG A 63 -6.962 -13.536 -11.951 1.00 1.61 C ATOM 990 CG ARG A 63 -7.857 -14.538 -12.658 1.00 2.18 C ATOM 991 CD ARG A 63 -7.294 -15.943 -12.546 1.00 2.52 C ATOM 992 NE ARG A 63 -7.205 -16.378 -11.151 1.00 3.12 N ATOM 993 CZ ARG A 63 -6.116 -16.920 -10.603 1.00 3.84 C ATOM 994 NH1 ARG A 63 -5.012 -17.077 -11.321 1.00 4.07 N ATOM 995 NH2 ARG A 63 -6.132 -17.287 -9.329 1.00 4.72 N ATOM 0 H ARG A 63 -5.699 -11.673 -11.018 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.880 -11.729 -12.711 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -6.043 -13.419 -12.525 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.681 -13.939 -10.978 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -8.857 -14.507 -12.225 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -7.956 -14.265 -13.708 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -7.926 -16.634 -13.104 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -6.305 -15.977 -13.002 1.00 2.52 H new ATOM 0 HE ARG A 63 -8.028 -16.259 -10.560 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -4.993 -16.783 -12.297 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -4.182 -17.492 -10.897 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -6.975 -17.155 -8.771 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -5.301 -17.702 -8.907 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.723 -12.350 -9.592 1.00 1.07 N ATOM 1010 CA ALA A 64 -9.844 -12.655 -8.709 1.00 1.09 C ATOM 1011 C ALA A 64 -10.711 -11.439 -8.410 1.00 1.08 C ATOM 1012 O ALA A 64 -11.923 -11.515 -8.536 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.354 -13.268 -7.400 1.00 1.17 C ATOM 0 H ALA A 64 -7.839 -12.179 -9.112 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.463 -13.376 -9.243 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.208 -13.487 -6.759 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -8.813 -14.190 -7.610 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.691 -12.565 -6.895 1.00 1.17 H new ATOM 1019 N PHE A 65 -10.104 -10.317 -8.028 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.869 -9.204 -7.449 1.00 1.22 C ATOM 1021 C PHE A 65 -11.935 -8.663 -8.409 1.00 1.19 C ATOM 1022 O PHE A 65 -12.961 -8.146 -7.969 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.944 -8.075 -6.957 1.00 1.47 C ATOM 1024 CG PHE A 65 -9.557 -7.055 -7.994 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -8.487 -7.277 -8.841 1.00 1.98 C ATOM 1026 CD2 PHE A 65 -10.257 -5.862 -8.104 1.00 1.67 C ATOM 1027 CE1 PHE A 65 -8.122 -6.331 -9.779 1.00 2.59 C ATOM 1028 CE2 PHE A 65 -9.898 -4.915 -9.043 1.00 2.44 C ATOM 1029 CZ PHE A 65 -8.829 -5.151 -9.881 1.00 2.81 C ATOM 0 H PHE A 65 -9.101 -10.151 -8.105 1.00 1.14 H new ATOM 0 HA PHE A 65 -11.395 -9.609 -6.584 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -10.436 -7.560 -6.132 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -9.035 -8.523 -6.556 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -7.931 -8.200 -8.768 1.00 1.98 H new ATOM 0 HD2 PHE A 65 -11.093 -5.672 -7.447 1.00 1.67 H new ATOM 0 HE1 PHE A 65 -7.283 -6.515 -10.433 1.00 2.59 H new ATOM 0 HE2 PHE A 65 -10.453 -3.992 -9.121 1.00 2.44 H new ATOM 0 HZ PHE A 65 -8.545 -4.413 -10.617 1.00 2.81 H new ATOM 1039 N SER A 66 -11.711 -8.810 -9.712 1.00 1.20 N ATOM 1040 CA SER A 66 -12.690 -8.372 -10.702 1.00 1.24 C ATOM 1041 C SER A 66 -13.943 -9.249 -10.627 1.00 1.13 C ATOM 1042 O SER A 66 -15.059 -8.785 -10.855 1.00 1.16 O ATOM 1043 CB SER A 66 -12.084 -8.419 -12.110 1.00 1.45 C ATOM 1044 OG SER A 66 -12.927 -7.780 -13.057 1.00 2.19 O ATOM 0 H SER A 66 -10.867 -9.226 -10.105 1.00 1.20 H new ATOM 0 HA SER A 66 -12.972 -7.342 -10.484 1.00 1.24 H new ATOM 0 HB2 SER A 66 -11.108 -7.935 -12.104 1.00 1.45 H new ATOM 0 HB3 SER A 66 -11.923 -9.456 -12.405 1.00 1.45 H new ATOM 0 HG SER A 66 -12.514 -7.824 -13.945 1.00 2.19 H new ATOM 1050 N ASP A 67 -13.743 -10.515 -10.288 1.00 1.09 N ATOM 1051 CA ASP A 67 -14.841 -11.462 -10.128 1.00 1.08 C ATOM 1052 C ASP A 67 -15.341 -11.456 -8.692 1.00 0.97 C ATOM 1053 O ASP A 67 -16.495 -11.783 -8.409 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.376 -12.873 -10.499 1.00 1.18 C ATOM 1055 CG ASP A 67 -14.251 -13.071 -11.993 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -15.266 -13.390 -12.642 1.00 2.06 O ATOM 1057 OD2 ASP A 67 -13.136 -12.917 -12.529 1.00 2.72 O ATOM 0 H ASP A 67 -12.820 -10.914 -10.117 1.00 1.09 H new ATOM 0 HA ASP A 67 -15.654 -11.162 -10.790 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -13.413 -13.069 -10.029 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -15.081 -13.601 -10.098 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.454 -11.082 -7.787 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.739 -11.099 -6.366 1.00 0.85 C ATOM 1064 C LEU A 68 -15.640 -9.952 -5.942 1.00 0.76 C ATOM 1065 O LEU A 68 -16.239 -10.018 -4.879 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.433 -11.083 -5.564 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.861 -12.462 -5.211 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -13.073 -13.452 -6.339 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -11.389 -12.354 -4.860 1.00 1.56 C ATOM 0 H LEU A 68 -13.515 -10.758 -8.019 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.280 -12.022 -6.155 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.684 -10.532 -6.133 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.601 -10.530 -4.640 1.00 0.91 H new ATOM 0 HG LEU A 68 -13.398 -12.834 -4.339 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -12.656 -14.419 -6.057 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -14.140 -13.559 -6.533 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -12.575 -13.091 -7.239 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -11.001 -13.342 -4.612 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.840 -11.951 -5.712 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -11.267 -11.691 -4.003 1.00 1.56 H new ATOM 1081 N THR A 69 -15.756 -8.910 -6.760 1.00 0.70 N ATOM 1082 CA THR A 69 -16.609 -7.773 -6.413 1.00 0.62 C ATOM 1083 C THR A 69 -18.044 -8.221 -6.166 1.00 0.63 C ATOM 1084 O THR A 69 -18.736 -7.680 -5.303 1.00 0.60 O ATOM 1085 CB THR A 69 -16.580 -6.688 -7.499 1.00 0.62 C ATOM 1086 OG1 THR A 69 -16.468 -7.289 -8.796 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.426 -5.734 -7.265 1.00 0.63 C ATOM 0 H THR A 69 -15.278 -8.827 -7.657 1.00 0.70 H new ATOM 0 HA THR A 69 -16.209 -7.345 -5.494 1.00 0.62 H new ATOM 0 HB THR A 69 -17.512 -6.125 -7.450 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.452 -6.588 -9.481 1.00 0.69 H new ATOM 0 HG21 THR A 69 -15.421 -4.972 -8.044 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.540 -5.257 -6.291 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.487 -6.286 -7.291 1.00 0.63 H new ATOM 1095 N SER A 70 -18.472 -9.229 -6.914 1.00 0.72 N ATOM 1096 CA SER A 70 -19.763 -9.856 -6.693 1.00 0.80 C ATOM 1097 C SER A 70 -19.790 -10.521 -5.319 1.00 0.76 C ATOM 1098 O SER A 70 -20.767 -10.420 -4.577 1.00 0.76 O ATOM 1099 CB SER A 70 -20.012 -10.903 -7.778 1.00 0.96 C ATOM 1100 OG SER A 70 -21.270 -11.534 -7.613 1.00 1.34 O ATOM 0 H SER A 70 -17.937 -9.631 -7.684 1.00 0.72 H new ATOM 0 HA SER A 70 -20.544 -9.097 -6.735 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.967 -10.430 -8.759 1.00 0.96 H new ATOM 0 HB3 SER A 70 -19.221 -11.653 -7.750 1.00 0.96 H new ATOM 0 HG SER A 70 -21.399 -12.197 -8.323 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.685 -11.173 -4.988 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.545 -11.899 -3.734 1.00 0.77 C ATOM 1108 C GLN A 71 -18.550 -10.938 -2.554 1.00 0.67 C ATOM 1109 O GLN A 71 -19.117 -11.225 -1.501 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.241 -12.696 -3.744 1.00 0.81 C ATOM 1111 CG GLN A 71 -17.022 -13.491 -5.007 1.00 0.99 C ATOM 1112 CD GLN A 71 -15.976 -14.561 -4.818 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -15.071 -14.335 -3.878 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -15.990 -15.592 -5.489 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.858 -11.214 -5.583 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.389 -12.581 -3.630 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.405 -12.009 -3.609 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -17.235 -13.376 -2.892 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -17.961 -13.950 -5.315 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.716 -12.821 -5.810 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -16.706 -15.726 -6.203 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -15.286 -16.313 -5.331 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.899 -9.801 -2.741 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.843 -8.770 -1.720 1.00 0.55 C ATOM 1125 C LEU A 72 -19.164 -8.012 -1.657 1.00 0.47 C ATOM 1126 O LEU A 72 -19.569 -7.542 -0.598 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.693 -7.800 -2.010 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.290 -8.414 -1.952 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.570 -8.249 -3.279 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.478 -7.785 -0.836 1.00 1.35 C ATOM 0 H LEU A 72 -17.398 -9.569 -3.599 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.668 -9.246 -0.755 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.843 -7.370 -3.000 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.743 -6.979 -1.295 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.398 -9.479 -1.749 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.577 -8.693 -3.212 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.137 -8.747 -4.065 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.478 -7.189 -3.514 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.485 -8.234 -0.811 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.387 -6.713 -1.012 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.977 -7.955 0.118 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.837 -7.925 -2.802 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.084 -7.172 -2.932 1.00 0.48 C ATOM 1144 C HIS A 73 -20.799 -5.686 -2.796 1.00 0.43 C ATOM 1145 O HIS A 73 -21.427 -4.981 -2.005 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.142 -7.613 -1.905 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.542 -9.053 -2.017 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -23.563 -9.491 -2.831 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -22.046 -10.159 -1.416 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -23.675 -10.801 -2.727 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -22.764 -11.233 -1.876 1.00 2.62 N ATOM 0 H HIS A 73 -19.534 -8.374 -3.666 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.496 -7.378 -3.920 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.757 -7.431 -0.902 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -23.029 -6.991 -2.023 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -21.234 -10.190 -0.705 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -24.392 -11.416 -3.250 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -22.618 -12.205 -1.605 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.822 -5.238 -3.572 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.408 -3.844 -3.608 1.00 0.41 C ATOM 1162 C ILE A 74 -20.582 -2.922 -3.925 1.00 0.49 C ATOM 1163 O ILE A 74 -21.166 -2.976 -5.010 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.296 -3.669 -4.650 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.109 -4.554 -4.277 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -17.867 -2.218 -4.742 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.364 -4.073 -3.052 1.00 0.39 C ATOM 0 H ILE A 74 -19.289 -5.839 -4.201 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.032 -3.570 -2.622 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.676 -3.967 -5.627 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.463 -5.570 -4.102 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.419 -4.598 -5.119 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.078 -2.118 -5.487 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.720 -1.604 -5.032 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.495 -1.886 -3.773 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.533 -4.747 -2.843 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -15.980 -3.069 -3.231 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.041 -4.056 -2.198 1.00 0.39 H new ATOM 1179 N THR A 75 -20.921 -2.093 -2.954 1.00 0.38 N ATOM 1180 CA THR A 75 -22.114 -1.274 -3.005 1.00 0.40 C ATOM 1181 C THR A 75 -21.934 -0.124 -1.983 1.00 0.37 C ATOM 1182 O THR A 75 -20.809 0.084 -1.524 1.00 0.34 O ATOM 1183 CB THR A 75 -23.335 -2.190 -2.686 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.521 -1.761 -3.370 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.603 -2.258 -1.192 1.00 0.46 C ATOM 0 H THR A 75 -20.371 -1.970 -2.104 1.00 0.38 H new ATOM 0 HA THR A 75 -22.285 -0.827 -3.984 1.00 0.40 H new ATOM 0 HB THR A 75 -23.075 -3.186 -3.043 1.00 0.46 H new ATOM 0 HG1 THR A 75 -24.289 -1.475 -4.278 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.460 -2.905 -1.005 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.727 -2.661 -0.683 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.814 -1.258 -0.814 1.00 0.46 H new ATOM 1193 N PRO A 76 -22.987 0.681 -1.681 1.00 0.38 N ATOM 1194 CA PRO A 76 -23.076 1.553 -0.502 1.00 0.37 C ATOM 1195 C PRO A 76 -22.305 1.066 0.736 1.00 0.35 C ATOM 1196 O PRO A 76 -21.859 -0.077 0.798 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.581 1.567 -0.217 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.253 1.173 -1.499 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.169 0.896 -2.509 1.00 0.44 C ATOM 0 HA PRO A 76 -22.623 2.523 -0.705 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.832 0.872 0.584 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.907 2.556 0.106 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.875 0.290 -1.351 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.909 1.970 -1.849 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.399 0.021 -3.117 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.034 1.733 -3.194 1.00 0.44 H new ATOM 1207 N GLY A 77 -22.174 1.985 1.703 1.00 0.36 N ATOM 1208 CA GLY A 77 -21.367 1.827 2.927 1.00 0.37 C ATOM 1209 C GLY A 77 -21.170 0.414 3.474 1.00 0.38 C ATOM 1210 O GLY A 77 -20.164 0.151 4.127 1.00 0.40 O ATOM 0 H GLY A 77 -22.642 2.890 1.656 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -20.382 2.252 2.736 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.827 2.428 3.711 1.00 0.37 H new ATOM 1214 N THR A 78 -22.091 -0.499 3.231 1.00 0.40 N ATOM 1215 CA THR A 78 -21.934 -1.871 3.689 1.00 0.42 C ATOM 1216 C THR A 78 -20.765 -2.575 2.999 1.00 0.38 C ATOM 1217 O THR A 78 -20.491 -3.748 3.262 1.00 0.40 O ATOM 1218 CB THR A 78 -23.222 -2.674 3.482 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.652 -2.588 2.115 1.00 0.50 O ATOM 1220 CG2 THR A 78 -24.297 -2.137 4.399 1.00 0.56 C ATOM 0 H THR A 78 -22.955 -0.318 2.720 1.00 0.40 H new ATOM 0 HA THR A 78 -21.716 -1.822 4.756 1.00 0.42 H new ATOM 0 HB THR A 78 -23.033 -3.721 3.717 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.475 -3.107 1.998 1.00 0.50 H new ATOM 0 HG21 THR A 78 -25.216 -2.706 4.255 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.971 -2.230 5.435 1.00 0.56 H new ATOM 0 HG23 THR A 78 -24.480 -1.087 4.169 1.00 0.56 H new ATOM 1228 N ALA A 79 -20.056 -1.847 2.138 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.859 -2.367 1.510 1.00 0.31 C ATOM 1230 C ALA A 79 -17.717 -2.424 2.517 1.00 0.30 C ATOM 1231 O ALA A 79 -16.688 -3.044 2.262 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.469 -1.526 0.308 1.00 0.32 C ATOM 0 H ALA A 79 -20.296 -0.894 1.864 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.067 -3.378 1.160 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.567 -1.937 -0.146 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.279 -1.535 -0.421 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.280 -0.501 0.627 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.903 -1.783 3.674 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.914 -1.875 4.746 1.00 0.36 C ATOM 1240 C TYR A 80 -17.009 -3.247 5.375 1.00 0.36 C ATOM 1241 O TYR A 80 -16.067 -3.725 5.991 1.00 0.38 O ATOM 1242 CB TYR A 80 -17.127 -0.828 5.846 1.00 0.44 C ATOM 1243 CG TYR A 80 -17.462 0.565 5.371 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -16.933 1.087 4.197 1.00 1.69 C ATOM 1245 CD2 TYR A 80 -18.332 1.355 6.110 1.00 2.21 C ATOM 1246 CE1 TYR A 80 -17.266 2.359 3.775 1.00 2.52 C ATOM 1247 CE2 TYR A 80 -18.671 2.622 5.694 1.00 3.13 C ATOM 1248 CZ TYR A 80 -18.136 3.118 4.530 1.00 3.12 C ATOM 1249 OH TYR A 80 -18.483 4.377 4.116 1.00 4.13 O ATOM 0 H TYR A 80 -18.715 -1.205 3.889 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.935 -1.695 4.301 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -17.930 -1.172 6.498 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -16.223 -0.777 6.453 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -16.253 0.490 3.607 1.00 1.69 H new ATOM 0 HD2 TYR A 80 -18.750 0.968 7.028 1.00 2.21 H new ATOM 0 HE1 TYR A 80 -16.849 2.756 2.861 1.00 2.52 H new ATOM 0 HE2 TYR A 80 -19.353 3.222 6.278 1.00 3.13 H new ATOM 0 HH TYR A 80 -19.104 4.774 4.761 1.00 4.13 H new ATOM 1259 N GLN A 81 -18.171 -3.867 5.215 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.396 -5.219 5.698 1.00 0.41 C ATOM 1261 C GLN A 81 -17.842 -6.218 4.700 1.00 0.41 C ATOM 1262 O GLN A 81 -17.467 -7.337 5.051 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.886 -5.458 5.939 1.00 0.45 C ATOM 1264 CG GLN A 81 -20.365 -4.948 7.285 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.875 -4.898 7.394 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.518 -5.882 7.762 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.447 -3.746 7.085 1.00 0.79 N ATOM 0 H GLN A 81 -18.977 -3.449 4.750 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.877 -5.351 6.648 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.458 -4.971 5.149 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -20.092 -6.526 5.869 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.970 -5.590 8.072 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.960 -3.950 7.455 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.875 -2.957 6.785 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.460 -3.647 7.147 1.00 0.79 H new ATOM 1276 N SER A 82 -17.790 -5.783 3.461 1.00 0.39 N ATOM 1277 CA SER A 82 -17.155 -6.536 2.396 1.00 0.41 C ATOM 1278 C SER A 82 -15.644 -6.461 2.567 1.00 0.41 C ATOM 1279 O SER A 82 -14.953 -7.478 2.601 1.00 0.48 O ATOM 1280 CB SER A 82 -17.560 -5.940 1.050 1.00 0.41 C ATOM 1281 OG SER A 82 -18.943 -5.622 1.038 1.00 0.43 O ATOM 0 H SER A 82 -18.188 -4.893 3.160 1.00 0.39 H new ATOM 0 HA SER A 82 -17.470 -7.579 2.434 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.974 -5.043 0.853 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.338 -6.648 0.252 1.00 0.41 H new ATOM 0 HG SER A 82 -19.448 -6.371 0.657 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.153 -5.236 2.706 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.746 -4.981 2.956 1.00 0.37 C ATOM 1289 C PHE A 83 -13.355 -5.484 4.347 1.00 0.38 C ATOM 1290 O PHE A 83 -12.178 -5.683 4.644 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.451 -3.484 2.790 1.00 0.36 C ATOM 1292 CG PHE A 83 -12.034 -3.096 3.106 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.991 -3.521 2.300 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.748 -2.303 4.205 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.689 -3.163 2.584 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -10.448 -1.942 4.493 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.416 -2.372 3.682 1.00 1.18 C ATOM 0 H PHE A 83 -15.723 -4.392 2.648 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.143 -5.525 2.229 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.675 -3.193 1.764 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -14.123 -2.919 3.436 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.199 -4.140 1.440 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -12.551 -1.964 4.843 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.884 -3.501 1.948 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -10.237 -1.323 5.353 1.00 1.05 H new ATOM 0 HZ PHE A 83 -8.398 -2.090 3.906 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.357 -5.698 5.189 1.00 0.41 N ATOM 1308 CA GLU A 84 -14.145 -6.226 6.531 1.00 0.48 C ATOM 1309 C GLU A 84 -13.527 -7.600 6.464 1.00 0.52 C ATOM 1310 O GLU A 84 -12.530 -7.874 7.121 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.465 -6.336 7.273 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.319 -6.866 8.680 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.602 -6.784 9.473 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.472 -7.661 9.297 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.750 -5.837 10.277 1.00 0.80 O ATOM 0 H GLU A 84 -15.334 -5.512 4.964 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.478 -5.542 7.056 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.936 -5.354 7.310 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -16.134 -6.990 6.714 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.988 -7.904 8.640 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.542 -6.303 9.196 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.149 -8.453 5.659 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.673 -9.813 5.416 1.00 0.65 C ATOM 1324 C GLN A 85 -12.188 -9.805 5.119 1.00 0.64 C ATOM 1325 O GLN A 85 -11.449 -10.715 5.492 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.410 -10.399 4.215 1.00 0.69 C ATOM 1327 CG GLN A 85 -15.916 -10.300 4.316 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.622 -10.937 3.133 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.090 -10.981 2.024 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -17.827 -11.434 3.359 1.00 1.62 N ATOM 0 H GLN A 85 -15.003 -8.221 5.152 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.860 -10.414 6.306 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.081 -9.885 3.312 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.131 -11.447 4.105 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.248 -10.783 5.235 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.204 -9.251 4.385 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.235 -11.379 4.292 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.348 -11.873 2.600 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.777 -8.735 4.476 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.427 -8.578 4.002 1.00 0.62 C ATOM 1341 C VAL A 86 -9.539 -8.014 5.083 1.00 0.55 C ATOM 1342 O VAL A 86 -8.526 -8.589 5.437 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.368 -7.623 2.816 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -9.213 -8.016 1.938 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.688 -7.597 2.061 1.00 1.30 C ATOM 0 H VAL A 86 -12.382 -7.941 4.267 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.082 -9.568 3.705 1.00 0.62 H new ATOM 0 HB VAL A 86 -10.206 -6.605 3.169 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -9.159 -7.340 1.084 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.286 -7.956 2.508 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.356 -9.037 1.584 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.613 -6.906 1.221 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -11.915 -8.597 1.690 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.484 -7.269 2.730 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.939 -6.882 5.619 1.00 0.51 N ATOM 1356 CA VAL A 87 -9.138 -6.204 6.613 1.00 0.51 C ATOM 1357 C VAL A 87 -8.996 -7.080 7.853 1.00 0.56 C ATOM 1358 O VAL A 87 -8.110 -6.895 8.686 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.761 -4.847 6.977 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.968 -5.006 7.897 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.709 -3.950 7.584 1.00 0.85 C ATOM 0 H VAL A 87 -10.813 -6.412 5.383 1.00 0.51 H new ATOM 0 HA VAL A 87 -8.147 -6.020 6.198 1.00 0.51 H new ATOM 0 HB VAL A 87 -10.131 -4.380 6.064 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -11.379 -4.024 8.131 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.728 -5.609 7.399 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.660 -5.499 8.819 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -9.154 -2.989 7.841 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -8.309 -4.416 8.484 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.904 -3.796 6.866 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.887 -8.046 7.935 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.885 -9.043 8.985 1.00 0.71 C ATOM 1373 C ASN A 88 -8.980 -10.223 8.652 1.00 0.78 C ATOM 1374 O ASN A 88 -8.344 -10.787 9.545 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.296 -9.527 9.225 1.00 0.73 C ATOM 1376 CG ASN A 88 -11.939 -8.815 10.394 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.832 -9.250 11.540 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.600 -7.706 10.116 1.00 0.73 N ATOM 0 H ASN A 88 -10.645 -8.162 7.263 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.492 -8.576 9.888 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.894 -9.367 8.328 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.286 -10.601 9.413 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.045 -7.176 10.865 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.665 -7.379 9.152 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.911 -10.609 7.378 1.00 0.75 N ATOM 1386 CA GLU A 89 -8.022 -11.691 6.986 1.00 0.84 C ATOM 1387 C GLU A 89 -6.608 -11.175 6.995 1.00 0.82 C ATOM 1388 O GLU A 89 -5.663 -11.859 7.396 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.373 -12.291 5.602 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.478 -11.314 4.431 1.00 1.25 C ATOM 1391 CD GLU A 89 -7.165 -10.867 3.833 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -6.104 -11.296 4.309 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -7.205 -10.084 2.871 1.00 2.87 O ATOM 0 H GLU A 89 -9.450 -10.196 6.617 1.00 0.75 H new ATOM 0 HA GLU A 89 -8.140 -12.503 7.704 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.618 -13.037 5.354 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.324 -12.817 5.691 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -9.074 -11.779 3.646 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -9.023 -10.431 4.765 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.503 -9.927 6.608 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.237 -9.323 6.302 1.00 0.64 C ATOM 1402 C LEU A 90 -4.379 -9.193 7.557 1.00 0.70 C ATOM 1403 O LEU A 90 -3.160 -9.320 7.509 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.503 -7.953 5.685 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.865 -7.655 4.322 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.523 -8.897 3.530 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.819 -6.821 3.511 1.00 1.28 C ATOM 0 H LEU A 90 -7.301 -9.301 6.497 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.687 -9.949 5.599 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.582 -7.833 5.585 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -5.161 -7.195 6.389 1.00 0.56 H new ATOM 0 HG LEU A 90 -3.930 -7.131 4.520 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -4.076 -8.610 2.578 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.816 -9.505 4.094 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.430 -9.472 3.346 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -5.376 -6.603 2.539 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.751 -7.368 3.370 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -6.022 -5.887 4.035 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.025 -8.966 8.695 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.296 -8.698 9.923 1.00 0.82 C ATOM 1421 C PHE A 91 -4.181 -9.953 10.777 1.00 0.91 C ATOM 1422 O PHE A 91 -3.350 -10.027 11.681 1.00 1.06 O ATOM 1423 CB PHE A 91 -4.964 -7.560 10.707 1.00 0.88 C ATOM 1424 CG PHE A 91 -6.034 -7.991 11.677 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -7.274 -8.414 11.231 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -5.797 -7.958 13.041 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -8.256 -8.795 12.124 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -6.775 -8.341 13.939 1.00 1.75 C ATOM 1429 CZ PHE A 91 -8.007 -8.759 13.480 1.00 2.23 C ATOM 0 H PHE A 91 -6.041 -8.963 8.790 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.286 -8.385 9.657 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -4.194 -7.018 11.257 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.401 -6.859 9.996 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -7.476 -8.447 10.171 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -4.836 -7.629 13.407 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -9.219 -9.121 11.760 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -6.575 -8.313 15.000 1.00 1.75 H new ATOM 0 HZ PHE A 91 -8.774 -9.057 14.180 1.00 2.23 H new ATOM 1439 N ARG A 92 -5.002 -10.944 10.482 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.006 -12.160 11.284 1.00 1.11 C ATOM 1441 C ARG A 92 -4.000 -13.171 10.753 1.00 0.83 C ATOM 1442 O ARG A 92 -3.438 -13.956 11.513 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.409 -12.797 11.346 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.558 -14.098 10.553 1.00 1.62 C ATOM 1445 CD ARG A 92 -7.118 -13.863 9.171 1.00 2.21 C ATOM 1446 NE ARG A 92 -7.158 -15.089 8.373 1.00 3.27 N ATOM 1447 CZ ARG A 92 -8.210 -15.472 7.645 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -9.349 -14.798 7.706 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -8.133 -16.542 6.867 1.00 5.06 N ATOM 0 H ARG A 92 -5.665 -10.936 9.707 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.716 -11.874 12.295 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.658 -12.993 12.389 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -7.137 -12.076 10.974 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -5.586 -14.585 10.471 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -7.212 -14.780 11.097 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -8.125 -13.453 9.254 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -6.511 -13.117 8.657 1.00 2.21 H new ATOM 0 HE ARG A 92 -6.332 -15.687 8.373 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -9.426 -13.981 8.312 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -10.149 -15.096 7.147 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -7.267 -17.078 6.822 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -8.940 -16.829 6.313 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.766 -13.139 9.451 1.00 0.84 N ATOM 1464 CA ASP A 93 -3.030 -14.209 8.791 1.00 1.10 C ATOM 1465 C ASP A 93 -1.531 -13.929 8.710 1.00 1.31 C ATOM 1466 O ASP A 93 -0.779 -14.741 8.171 1.00 1.88 O ATOM 1467 CB ASP A 93 -3.601 -14.437 7.387 1.00 1.65 C ATOM 1468 CG ASP A 93 -3.040 -15.674 6.711 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -3.481 -16.790 7.054 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -2.167 -15.539 5.827 1.00 3.12 O ATOM 0 H ASP A 93 -4.072 -12.389 8.832 1.00 0.84 H new ATOM 0 HA ASP A 93 -3.151 -15.109 9.395 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -4.685 -14.526 7.452 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.389 -13.565 6.769 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.060 -12.823 9.268 1.00 1.11 N ATOM 1476 CA GLY A 94 0.342 -12.527 9.075 1.00 1.69 C ATOM 1477 C GLY A 94 0.641 -11.109 8.635 1.00 1.62 C ATOM 1478 O GLY A 94 0.979 -10.887 7.472 1.00 2.31 O ATOM 0 H GLY A 94 -1.593 -12.155 9.824 1.00 1.11 H new ATOM 0 HA2 GLY A 94 0.871 -12.721 10.008 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.744 -13.215 8.331 1.00 1.69 H new ATOM 1482 N VAL A 95 0.487 -10.132 9.522 1.00 0.85 N ATOM 1483 CA VAL A 95 0.786 -8.756 9.151 1.00 0.67 C ATOM 1484 C VAL A 95 2.284 -8.566 8.974 1.00 0.62 C ATOM 1485 O VAL A 95 3.039 -8.442 9.932 1.00 0.61 O ATOM 1486 CB VAL A 95 0.296 -7.737 10.194 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.582 -6.317 9.720 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.179 -7.920 10.482 1.00 1.06 C ATOM 0 H VAL A 95 0.165 -10.262 10.481 1.00 0.85 H new ATOM 0 HA VAL A 95 0.257 -8.575 8.215 1.00 0.67 H new ATOM 0 HB VAL A 95 0.840 -7.910 11.123 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.230 -5.606 10.468 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.655 -6.191 9.576 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.066 -6.137 8.777 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.499 -7.187 11.222 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.749 -7.781 9.564 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.353 -8.925 10.868 1.00 1.06 H new ATOM 1498 N ASN A 96 2.693 -8.615 7.722 1.00 0.76 N ATOM 1499 CA ASN A 96 4.080 -8.417 7.333 1.00 0.86 C ATOM 1500 C ASN A 96 4.207 -7.077 6.628 1.00 0.72 C ATOM 1501 O ASN A 96 3.213 -6.366 6.468 1.00 0.62 O ATOM 1502 CB ASN A 96 4.554 -9.530 6.381 1.00 1.17 C ATOM 1503 CG ASN A 96 4.581 -10.917 7.007 1.00 1.47 C ATOM 1504 OD1 ASN A 96 3.706 -11.158 7.965 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 5.383 -11.765 6.621 1.00 1.67 N flip ATOM 0 H ASN A 96 2.068 -8.795 6.936 1.00 0.76 H new ATOM 0 HA ASN A 96 4.699 -8.442 8.230 1.00 0.86 H new ATOM 0 HB2 ASN A 96 3.900 -9.550 5.509 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.554 -9.285 6.024 1.00 1.17 H new ATOM 0 HD21 ASN A 96 6.044 -11.541 5.878 1.00 1.67 H new ATOM 0 HD22 ASN A 96 5.387 -12.693 7.044 1.00 1.67 H new ATOM 1512 N TRP A 97 5.418 -6.752 6.189 1.00 0.77 N ATOM 1513 CA TRP A 97 5.664 -5.527 5.430 1.00 0.72 C ATOM 1514 C TRP A 97 4.694 -5.407 4.252 1.00 0.63 C ATOM 1515 O TRP A 97 3.999 -4.404 4.098 1.00 0.59 O ATOM 1516 CB TRP A 97 7.101 -5.512 4.895 1.00 0.86 C ATOM 1517 CG TRP A 97 8.161 -5.576 5.952 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.649 -4.537 6.694 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.887 -6.740 6.365 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.631 -4.987 7.544 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.792 -6.335 7.364 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.856 -8.087 5.989 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 10.657 -7.228 7.990 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.715 -8.971 6.613 1.00 3.24 C ATOM 1525 CH2 TRP A 97 10.605 -8.538 7.603 1.00 3.34 C ATOM 0 H TRP A 97 6.250 -7.322 6.346 1.00 0.77 H new ATOM 0 HA TRP A 97 5.512 -4.684 6.104 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.231 -6.356 4.217 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.247 -4.605 4.308 1.00 0.86 H new ATOM 0 HD1 TRP A 97 8.313 -3.513 6.623 1.00 0.83 H new ATOM 0 HE1 TRP A 97 10.155 -4.410 8.202 1.00 0.99 H new ATOM 0 HE3 TRP A 97 8.173 -8.429 5.225 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 11.345 -6.898 8.754 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 9.700 -10.014 6.332 1.00 3.24 H new ATOM 0 HH2 TRP A 97 11.264 -9.254 8.071 1.00 3.34 H new ATOM 1536 N GLY A 98 4.640 -6.457 3.439 1.00 0.69 N ATOM 1537 CA GLY A 98 3.836 -6.430 2.229 1.00 0.69 C ATOM 1538 C GLY A 98 2.363 -6.713 2.470 1.00 0.62 C ATOM 1539 O GLY A 98 1.530 -6.474 1.597 1.00 0.61 O ATOM 0 H GLY A 98 5.141 -7.331 3.597 1.00 0.69 H new ATOM 0 HA2 GLY A 98 3.937 -5.452 1.758 1.00 0.69 H new ATOM 0 HA3 GLY A 98 4.228 -7.165 1.526 1.00 0.69 H new ATOM 1543 N ARG A 99 2.038 -7.224 3.648 1.00 0.65 N ATOM 1544 CA ARG A 99 0.654 -7.541 3.988 1.00 0.67 C ATOM 1545 C ARG A 99 -0.195 -6.277 4.000 1.00 0.53 C ATOM 1546 O ARG A 99 -1.319 -6.259 3.506 1.00 0.55 O ATOM 1547 CB ARG A 99 0.596 -8.208 5.356 1.00 0.82 C ATOM 1548 CG ARG A 99 -0.811 -8.535 5.818 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.445 -9.625 4.973 1.00 1.50 C ATOM 1550 NE ARG A 99 -0.851 -10.936 5.222 1.00 2.48 N ATOM 1551 CZ ARG A 99 -1.520 -12.079 5.111 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -2.803 -12.071 4.777 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -0.909 -13.230 5.352 1.00 4.24 N ATOM 0 H ARG A 99 2.712 -7.429 4.386 1.00 0.65 H new ATOM 0 HA ARG A 99 0.260 -8.223 3.235 1.00 0.67 H new ATOM 0 HB2 ARG A 99 1.182 -9.127 5.327 1.00 0.82 H new ATOM 0 HB3 ARG A 99 1.066 -7.553 6.089 1.00 0.82 H new ATOM 0 HG2 ARG A 99 -0.786 -8.852 6.861 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -1.426 -7.636 5.773 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -2.514 -9.668 5.181 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -1.336 -9.374 3.918 1.00 1.50 H new ATOM 0 HE ARG A 99 0.131 -10.976 5.496 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -3.280 -11.186 4.604 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -3.314 -12.950 4.693 1.00 3.44 H new ATOM 0 HH21 ARG A 99 0.074 -13.238 5.623 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -1.422 -14.107 5.267 1.00 4.24 H new ATOM 1567 N ILE A 100 0.359 -5.219 4.567 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.344 -3.952 4.658 1.00 0.36 C ATOM 1569 C ILE A 100 -0.414 -3.282 3.289 1.00 0.33 C ATOM 1570 O ILE A 100 -1.390 -2.610 2.963 1.00 0.34 O ATOM 1571 CB ILE A 100 0.333 -3.039 5.689 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.276 -3.711 7.062 1.00 0.33 C ATOM 1573 CG2 ILE A 100 -0.342 -1.680 5.724 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.034 -2.978 8.135 1.00 0.34 C ATOM 0 H ILE A 100 1.295 -5.213 4.972 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.364 -4.139 4.992 1.00 0.36 H new ATOM 0 HB ILE A 100 1.375 -2.882 5.408 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.766 -3.803 7.367 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.674 -4.722 6.977 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.152 -1.047 6.461 1.00 0.34 H new ATOM 0 HG22 ILE A 100 -0.273 -1.214 4.741 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -1.391 -1.802 5.995 1.00 0.34 H new ATOM 0 HD11 ILE A 100 0.944 -3.518 9.077 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.085 -2.908 7.855 1.00 0.34 H new ATOM 0 HD13 ILE A 100 0.622 -1.975 8.251 1.00 0.34 H new ATOM 1586 N VAL A 101 0.629 -3.484 2.494 1.00 0.33 N ATOM 1587 CA VAL A 101 0.617 -3.120 1.078 1.00 0.35 C ATOM 1588 C VAL A 101 -0.644 -3.656 0.419 1.00 0.37 C ATOM 1589 O VAL A 101 -1.402 -2.917 -0.210 1.00 0.45 O ATOM 1590 CB VAL A 101 1.832 -3.723 0.358 1.00 0.46 C ATOM 1591 CG1 VAL A 101 1.828 -3.369 -1.116 1.00 1.35 C ATOM 1592 CG2 VAL A 101 3.105 -3.260 1.026 1.00 1.32 C ATOM 0 H VAL A 101 1.505 -3.903 2.808 1.00 0.33 H new ATOM 0 HA VAL A 101 0.650 -2.033 1.006 1.00 0.35 H new ATOM 0 HB VAL A 101 1.775 -4.809 0.429 1.00 0.46 H new ATOM 0 HG11 VAL A 101 2.700 -3.810 -1.598 1.00 1.35 H new ATOM 0 HG12 VAL A 101 0.921 -3.757 -1.581 1.00 1.35 H new ATOM 0 HG13 VAL A 101 1.859 -2.285 -1.230 1.00 1.35 H new ATOM 0 HG21 VAL A 101 3.964 -3.691 0.511 1.00 1.32 H new ATOM 0 HG22 VAL A 101 3.164 -2.172 0.982 1.00 1.32 H new ATOM 0 HG23 VAL A 101 3.107 -3.582 2.067 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.842 -4.957 0.570 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.044 -5.627 0.083 1.00 0.39 C ATOM 1604 C ALA A 102 -3.300 -4.934 0.587 1.00 0.35 C ATOM 1605 O ALA A 102 -4.223 -4.669 -0.177 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.051 -7.074 0.529 1.00 0.44 C ATOM 0 H ALA A 102 -0.178 -5.578 1.032 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.036 -5.581 -1.006 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -2.952 -7.564 0.160 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.173 -7.582 0.130 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.033 -7.119 1.618 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.315 -4.647 1.879 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.427 -3.954 2.515 1.00 0.34 C ATOM 1614 C PHE A 103 -4.720 -2.617 1.826 1.00 0.31 C ATOM 1615 O PHE A 103 -5.882 -2.254 1.634 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.118 -3.781 4.010 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.862 -2.663 4.690 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.163 -2.837 5.125 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.244 -1.441 4.907 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -6.836 -1.811 5.761 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -4.912 -0.413 5.539 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.211 -0.598 5.967 1.00 1.49 C ATOM 0 H PHE A 103 -2.557 -4.888 2.518 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.333 -4.551 2.413 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.348 -4.715 4.523 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -3.048 -3.608 4.127 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.658 -3.784 4.966 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.227 -1.292 4.577 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -7.852 -1.959 6.097 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.420 0.535 5.699 1.00 1.48 H new ATOM 0 HZ PHE A 103 -6.737 0.205 6.462 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.672 -1.899 1.434 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.843 -0.664 0.679 1.00 0.40 C ATOM 1634 C PHE A 104 -4.345 -0.954 -0.730 1.00 0.39 C ATOM 1635 O PHE A 104 -5.104 -0.174 -1.296 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.535 0.120 0.598 1.00 0.56 C ATOM 1637 CG PHE A 104 -2.040 0.610 1.922 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -2.875 1.320 2.764 1.00 1.79 C ATOM 1639 CD2 PHE A 104 -0.742 0.354 2.328 1.00 1.47 C ATOM 1640 CE1 PHE A 104 -2.424 1.767 3.988 1.00 2.90 C ATOM 1641 CE2 PHE A 104 -0.287 0.799 3.552 1.00 2.61 C ATOM 1642 CZ PHE A 104 -1.117 1.530 4.369 1.00 3.29 C ATOM 0 H PHE A 104 -2.702 -2.149 1.625 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.583 -0.062 1.207 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -1.771 -0.513 0.147 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.675 0.974 -0.065 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -3.891 1.527 2.460 1.00 1.79 H new ATOM 0 HD2 PHE A 104 -0.079 -0.200 1.680 1.00 1.47 H new ATOM 0 HE1 PHE A 104 -3.091 2.302 4.648 1.00 2.90 H new ATOM 0 HE2 PHE A 104 0.721 0.573 3.868 1.00 2.61 H new ATOM 0 HZ PHE A 104 -0.748 1.918 5.307 1.00 3.29 H new ATOM 1652 N SER A 105 -3.918 -2.076 -1.290 1.00 0.37 N ATOM 1653 CA SER A 105 -4.312 -2.455 -2.638 1.00 0.44 C ATOM 1654 C SER A 105 -5.798 -2.806 -2.687 1.00 0.40 C ATOM 1655 O SER A 105 -6.546 -2.231 -3.476 1.00 0.45 O ATOM 1656 CB SER A 105 -3.459 -3.628 -3.135 1.00 0.50 C ATOM 1657 OG SER A 105 -3.678 -3.879 -4.513 1.00 1.19 O ATOM 0 H SER A 105 -3.297 -2.741 -0.830 1.00 0.37 H new ATOM 0 HA SER A 105 -4.144 -1.605 -3.299 1.00 0.44 H new ATOM 0 HB2 SER A 105 -2.404 -3.410 -2.966 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.696 -4.522 -2.559 1.00 0.50 H new ATOM 0 HG SER A 105 -3.416 -3.092 -5.035 1.00 1.19 H new ATOM 1663 N PHE A 106 -6.230 -3.725 -1.825 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.634 -4.127 -1.782 1.00 0.37 C ATOM 1665 C PHE A 106 -8.514 -2.955 -1.368 1.00 0.31 C ATOM 1666 O PHE A 106 -9.611 -2.786 -1.887 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.865 -5.293 -0.817 1.00 0.46 C ATOM 1668 CG PHE A 106 -6.996 -6.491 -1.064 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -7.015 -7.145 -2.282 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -6.157 -6.961 -0.068 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -6.214 -8.247 -2.502 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -5.354 -8.062 -0.284 1.00 2.53 C ATOM 1673 CZ PHE A 106 -5.382 -8.705 -1.503 1.00 2.89 C ATOM 0 H PHE A 106 -5.632 -4.203 -1.151 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.901 -4.453 -2.787 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -7.697 -4.943 0.202 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -8.909 -5.599 -0.881 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.663 -6.790 -3.069 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -6.131 -6.460 0.889 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -6.239 -8.751 -3.457 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -4.704 -8.420 0.501 1.00 2.53 H new ATOM 0 HZ PHE A 106 -4.753 -9.566 -1.675 1.00 2.89 H new ATOM 1683 N GLY A 107 -8.026 -2.151 -0.428 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.769 -0.979 0.002 1.00 0.28 C ATOM 1685 C GLY A 107 -8.810 0.085 -1.072 1.00 0.24 C ATOM 1686 O GLY A 107 -9.832 0.740 -1.277 1.00 0.27 O ATOM 0 H GLY A 107 -7.132 -2.289 0.043 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.786 -1.270 0.265 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.312 -0.569 0.903 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.694 0.251 -1.766 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.640 1.181 -2.869 1.00 0.22 C ATOM 1692 C GLY A 108 -8.532 0.735 -4.009 1.00 0.22 C ATOM 1693 O GLY A 108 -9.147 1.553 -4.692 1.00 0.23 O ATOM 0 H GLY A 108 -6.822 -0.245 -1.582 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.948 2.170 -2.529 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.613 1.271 -3.222 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.595 -0.573 -4.215 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.483 -1.148 -5.209 1.00 0.26 C ATOM 1699 C ALA A 109 -10.923 -1.088 -4.725 1.00 0.27 C ATOM 1700 O ALA A 109 -11.846 -0.977 -5.522 1.00 0.31 O ATOM 1701 CB ALA A 109 -9.085 -2.582 -5.514 1.00 0.29 C ATOM 0 H ALA A 109 -8.038 -1.257 -3.703 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.399 -0.566 -6.127 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.762 -2.996 -6.261 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -8.065 -2.603 -5.897 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -9.142 -3.177 -4.603 1.00 0.29 H new ATOM 1707 N LEU A 110 -11.099 -1.132 -3.408 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.420 -1.044 -2.796 1.00 0.28 C ATOM 1709 C LEU A 110 -13.015 0.297 -3.174 1.00 0.24 C ATOM 1710 O LEU A 110 -14.203 0.421 -3.485 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.301 -1.150 -1.273 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.366 -1.997 -0.565 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.768 -1.490 -0.853 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.233 -3.461 -0.958 1.00 1.12 C ATOM 0 H LEU A 110 -10.335 -1.229 -2.739 1.00 0.25 H new ATOM 0 HA LEU A 110 -13.056 -1.857 -3.146 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.321 -1.563 -1.034 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.332 -0.143 -0.857 1.00 0.32 H new ATOM 0 HG LEU A 110 -13.199 -1.907 0.508 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.495 -2.115 -0.334 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.861 -0.461 -0.506 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.956 -1.529 -1.926 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -13.997 -4.046 -0.446 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.361 -3.561 -2.036 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.246 -3.826 -0.674 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.143 1.293 -3.139 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.444 2.626 -3.607 1.00 0.19 C ATOM 1728 C CYS A 111 -13.014 2.571 -5.014 1.00 0.20 C ATOM 1729 O CYS A 111 -14.180 2.895 -5.223 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.167 3.461 -3.575 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.320 5.117 -4.246 1.00 0.22 S ATOM 0 H CYS A 111 -11.194 1.191 -2.778 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.191 3.085 -2.959 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.826 3.535 -2.542 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.392 2.932 -4.129 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.305 5.835 -3.866 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.207 2.106 -5.962 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.603 2.113 -7.364 1.00 0.22 C ATOM 1739 C VAL A 112 -13.801 1.215 -7.627 1.00 0.22 C ATOM 1740 O VAL A 112 -14.662 1.569 -8.422 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.476 1.684 -8.306 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.959 1.822 -9.735 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.226 2.512 -8.085 1.00 0.27 C ATOM 0 H VAL A 112 -11.279 1.721 -5.785 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.864 3.151 -7.570 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.215 0.646 -8.100 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -11.165 1.519 -10.418 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.831 1.186 -9.887 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.229 2.860 -9.929 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.445 2.182 -8.770 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.449 3.563 -8.268 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.884 2.388 -7.058 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.874 0.067 -6.966 1.00 0.23 N ATOM 1754 CA GLU A 113 -15.007 -0.828 -7.159 1.00 0.28 C ATOM 1755 C GLU A 113 -16.309 -0.135 -6.795 1.00 0.23 C ATOM 1756 O GLU A 113 -17.387 -0.550 -7.209 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.835 -2.123 -6.386 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.717 -2.972 -6.950 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.578 -2.832 -8.459 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.486 -3.289 -9.188 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.561 -2.274 -8.925 1.00 2.51 O ATOM 0 H GLU A 113 -13.174 -0.263 -6.302 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.048 -1.089 -8.217 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.627 -1.897 -5.340 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.767 -2.687 -6.411 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -12.777 -2.690 -6.475 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -13.899 -4.018 -6.701 1.00 0.53 H new ATOM 1768 N SER A 114 -16.195 0.962 -6.065 1.00 0.18 N ATOM 1769 CA SER A 114 -17.339 1.759 -5.715 1.00 0.19 C ATOM 1770 C SER A 114 -17.608 2.714 -6.853 1.00 0.22 C ATOM 1771 O SER A 114 -18.714 2.808 -7.365 1.00 0.28 O ATOM 1772 CB SER A 114 -17.060 2.521 -4.422 1.00 0.18 C ATOM 1773 OG SER A 114 -16.817 1.624 -3.350 1.00 0.20 O ATOM 0 H SER A 114 -15.309 1.316 -5.704 1.00 0.18 H new ATOM 0 HA SER A 114 -18.213 1.129 -5.551 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.198 3.174 -4.558 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.909 3.161 -4.181 1.00 0.18 H new ATOM 0 HG SER A 114 -15.926 1.229 -3.450 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.546 3.344 -7.307 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.626 4.369 -8.315 1.00 0.27 C ATOM 1781 C VAL A 115 -17.083 3.766 -9.629 1.00 0.28 C ATOM 1782 O VAL A 115 -17.794 4.387 -10.418 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.270 5.067 -8.479 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.330 4.728 -7.377 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.664 4.843 -9.833 1.00 1.10 C ATOM 0 H VAL A 115 -15.598 3.155 -6.982 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.355 5.117 -8.003 1.00 0.27 H new ATOM 0 HB VAL A 115 -15.465 6.137 -8.409 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.383 5.245 -7.535 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -14.759 5.039 -6.424 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -14.158 3.652 -7.363 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.706 5.360 -9.893 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.511 3.775 -9.991 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -15.334 5.231 -10.600 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.642 2.546 -9.815 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.000 1.703 -10.941 1.00 0.34 C ATOM 1797 C ASP A 116 -18.511 1.653 -11.132 1.00 0.35 C ATOM 1798 O ASP A 116 -19.022 1.908 -12.221 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.472 0.303 -10.657 1.00 0.37 C ATOM 1800 CG ASP A 116 -16.539 -0.618 -11.857 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -15.563 -0.657 -12.636 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -17.548 -1.331 -12.012 1.00 0.60 O ATOM 0 H ASP A 116 -16.000 2.092 -9.165 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.565 2.108 -11.855 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.438 0.374 -10.320 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.045 -0.135 -9.839 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.221 1.351 -10.050 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.675 1.275 -10.079 1.00 0.35 C ATOM 1809 C LYS A 117 -21.278 2.660 -9.851 1.00 0.34 C ATOM 1810 O LYS A 117 -22.468 2.792 -9.551 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.181 0.309 -8.999 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.158 -0.733 -8.553 1.00 0.36 C ATOM 1813 CD LYS A 117 -19.685 -1.610 -9.696 1.00 0.45 C ATOM 1814 CE LYS A 117 -18.621 -2.590 -9.233 1.00 0.61 C ATOM 1815 NZ LYS A 117 -18.073 -3.380 -10.366 1.00 1.62 N ATOM 0 H LYS A 117 -18.809 1.154 -9.138 1.00 0.32 H new ATOM 0 HA LYS A 117 -20.982 0.906 -11.057 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.494 0.887 -8.130 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.065 -0.206 -9.375 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.301 -0.228 -8.108 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.597 -1.359 -7.777 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -20.531 -2.157 -10.112 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.285 -0.986 -10.495 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -17.813 -2.046 -8.744 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -19.046 -3.265 -8.490 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -17.101 -3.677 -10.144 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -18.665 -4.221 -10.521 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.069 -2.796 -11.226 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.430 3.681 -9.996 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.817 5.078 -9.813 1.00 0.33 C ATOM 1831 C GLU A 118 -21.189 5.333 -8.362 1.00 0.31 C ATOM 1832 O GLU A 118 -22.227 5.910 -8.047 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.954 5.464 -10.760 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.614 5.211 -12.218 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.634 5.788 -13.168 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -23.758 5.248 -13.232 1.00 1.88 O ATOM 1837 OE2 GLU A 118 -22.320 6.784 -13.852 1.00 1.07 O ATOM 0 H GLU A 118 -19.449 3.558 -10.246 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.964 5.710 -10.061 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.848 4.899 -10.497 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.192 6.519 -10.624 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.637 5.641 -12.438 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.535 4.137 -12.386 1.00 0.49 H new ATOM 1844 N MET A 119 -20.306 4.890 -7.489 1.00 0.26 N ATOM 1845 CA MET A 119 -20.468 5.041 -6.055 1.00 0.26 C ATOM 1846 C MET A 119 -19.186 5.635 -5.501 1.00 0.25 C ATOM 1847 O MET A 119 -18.728 5.281 -4.419 1.00 0.23 O ATOM 1848 CB MET A 119 -20.752 3.681 -5.403 1.00 0.25 C ATOM 1849 CG MET A 119 -21.911 2.926 -6.035 1.00 0.28 C ATOM 1850 SD MET A 119 -22.112 1.265 -5.360 1.00 0.31 S ATOM 1851 CE MET A 119 -20.438 0.645 -5.494 1.00 0.29 C ATOM 0 H MET A 119 -19.447 4.410 -7.757 1.00 0.26 H new ATOM 0 HA MET A 119 -21.312 5.696 -5.838 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.854 3.066 -5.463 1.00 0.25 H new ATOM 0 HB3 MET A 119 -20.964 3.833 -4.345 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.832 3.489 -5.883 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.752 2.859 -7.111 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.459 -0.439 -5.605 1.00 0.29 H new ATOM 0 HE2 MET A 119 -19.954 1.089 -6.364 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.880 0.907 -4.595 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.604 6.541 -6.283 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.367 7.226 -5.938 1.00 0.31 C ATOM 1863 C GLN A 120 -17.438 7.926 -4.569 1.00 0.32 C ATOM 1864 O GLN A 120 -16.440 8.431 -4.073 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.044 8.246 -7.030 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.227 7.693 -8.432 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.327 8.373 -9.218 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -18.892 7.651 -10.171 1.00 1.15 O flip ATOM 1869 NE2 GLN A 120 -18.649 9.539 -8.991 1.00 0.55 N flip ATOM 0 H GLN A 120 -18.986 6.822 -7.186 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.579 6.476 -5.867 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.683 9.120 -6.904 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.015 8.584 -6.910 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.289 7.793 -8.977 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.446 6.627 -8.366 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.187 10.060 -8.246 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.378 9.984 -9.548 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.618 7.965 -3.970 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.784 8.538 -2.641 1.00 0.35 C ATOM 1880 C VAL A 121 -18.098 7.688 -1.562 1.00 0.31 C ATOM 1881 O VAL A 121 -17.756 8.193 -0.495 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.273 8.709 -2.287 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.931 9.708 -3.224 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.990 7.369 -2.342 1.00 0.38 C ATOM 0 H VAL A 121 -19.478 7.606 -4.384 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.308 9.518 -2.665 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.345 9.095 -1.270 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.983 9.817 -2.960 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.433 10.673 -3.135 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.850 9.352 -4.251 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -22.041 7.508 -2.089 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.910 6.955 -3.347 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.533 6.682 -1.629 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.879 6.405 -1.851 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.208 5.502 -0.910 1.00 0.21 C ATOM 1896 C LEU A 122 -15.724 5.783 -0.888 1.00 0.19 C ATOM 1897 O LEU A 122 -15.043 5.502 0.093 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.416 4.027 -1.282 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.791 3.431 -0.983 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.175 3.683 0.466 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.837 3.981 -1.938 1.00 0.22 C ATOM 0 H LEU A 122 -18.156 5.966 -2.729 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.648 5.681 0.071 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.221 3.914 -2.348 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.667 3.435 -0.757 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.743 2.353 -1.135 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.157 3.252 0.662 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.438 3.221 1.123 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.206 4.756 0.653 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.808 3.543 -1.706 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.893 5.064 -1.831 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.561 3.731 -2.963 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.248 6.338 -1.987 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.836 6.624 -2.193 1.00 0.20 C ATOM 1915 C VAL A 123 -13.191 7.274 -0.971 1.00 0.22 C ATOM 1916 O VAL A 123 -12.174 6.799 -0.464 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.678 7.530 -3.429 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.276 8.103 -3.535 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.033 6.739 -4.677 1.00 0.23 C ATOM 0 H VAL A 123 -15.838 6.608 -2.774 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.320 5.677 -2.355 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.357 8.376 -3.326 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.207 8.736 -4.420 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -12.057 8.696 -2.647 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.555 7.289 -3.614 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -13.923 7.376 -5.555 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.367 5.881 -4.765 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.064 6.393 -4.607 1.00 0.23 H new ATOM 1929 N SER A 124 -13.794 8.343 -0.493 1.00 0.24 N ATOM 1930 CA SER A 124 -13.277 9.075 0.636 1.00 0.28 C ATOM 1931 C SER A 124 -13.540 8.331 1.944 1.00 0.27 C ATOM 1932 O SER A 124 -12.731 8.375 2.875 1.00 0.33 O ATOM 1933 CB SER A 124 -13.956 10.431 0.642 1.00 0.36 C ATOM 1934 OG SER A 124 -15.175 10.377 -0.083 1.00 1.35 O ATOM 0 H SER A 124 -14.657 8.726 -0.879 1.00 0.24 H new ATOM 0 HA SER A 124 -12.196 9.186 0.551 1.00 0.28 H new ATOM 0 HB2 SER A 124 -14.149 10.743 1.668 1.00 0.36 H new ATOM 0 HB3 SER A 124 -13.296 11.177 0.201 1.00 0.36 H new ATOM 0 HG SER A 124 -15.042 10.760 -0.975 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.668 7.634 1.992 1.00 0.23 N ATOM 1941 CA ARG A 125 -15.093 6.925 3.191 1.00 0.23 C ATOM 1942 C ARG A 125 -14.135 5.783 3.511 1.00 0.21 C ATOM 1943 O ARG A 125 -13.639 5.671 4.630 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.503 6.364 3.004 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.509 7.363 2.459 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.912 6.796 2.485 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.906 7.721 1.942 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.100 7.338 1.492 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.444 6.057 1.550 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -21.947 8.230 0.993 1.00 2.67 N ATOM 0 H ARG A 125 -15.311 7.545 1.205 1.00 0.23 H new ATOM 0 HA ARG A 125 -15.091 7.633 4.019 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.454 5.510 2.328 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.863 5.991 3.963 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.473 8.278 3.049 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.241 7.632 1.437 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.935 5.868 1.913 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -19.179 6.545 3.512 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.672 8.713 1.906 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.795 5.372 1.938 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.357 5.758 1.207 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.685 9.215 0.952 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -22.860 7.930 0.650 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.894 4.937 2.518 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.993 3.797 2.664 1.00 0.19 C ATOM 1966 C ILE A 126 -11.626 4.233 3.179 1.00 0.20 C ATOM 1967 O ILE A 126 -11.117 3.672 4.152 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.830 3.060 1.320 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.208 2.629 0.812 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.910 1.856 1.476 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.215 2.135 -0.613 1.00 0.18 C ATOM 0 H ILE A 126 -14.314 5.019 1.592 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.437 3.120 3.394 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.375 3.732 0.593 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.591 1.841 1.460 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.894 3.472 0.896 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.808 1.349 0.516 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.930 2.189 1.817 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -12.333 1.167 2.207 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.229 1.850 -0.894 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.864 2.927 -1.274 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.557 1.270 -0.702 1.00 0.18 H new ATOM 1983 N ALA A 127 -11.045 5.245 2.543 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.718 5.720 2.917 1.00 0.24 C ATOM 1985 C ALA A 127 -9.670 6.158 4.376 1.00 0.24 C ATOM 1986 O ALA A 127 -8.636 6.029 5.036 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.289 6.859 2.019 1.00 0.27 C ATOM 0 H ALA A 127 -11.472 5.751 1.767 1.00 0.21 H new ATOM 0 HA ALA A 127 -9.025 4.888 2.792 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.297 7.200 2.313 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.263 6.517 0.984 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -9.998 7.682 2.111 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.785 6.683 4.867 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.901 7.078 6.264 1.00 0.22 C ATOM 1995 C ALA A 128 -10.649 5.889 7.171 1.00 0.23 C ATOM 1996 O ALA A 128 -9.693 5.871 7.950 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.285 7.639 6.542 1.00 0.23 C ATOM 0 H ALA A 128 -11.627 6.846 4.314 1.00 0.21 H new ATOM 0 HA ALA A 128 -10.155 7.847 6.464 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.356 7.930 7.590 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.458 8.511 5.911 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -13.036 6.879 6.324 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.502 4.891 7.028 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.455 3.702 7.857 1.00 0.35 C ATOM 2005 C TRP A 129 -10.137 2.953 7.674 1.00 0.25 C ATOM 2006 O TRP A 129 -9.598 2.397 8.627 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.641 2.802 7.516 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.971 3.457 7.748 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.828 3.924 6.795 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.591 3.723 9.011 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.941 4.468 7.386 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.820 4.354 8.746 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -14.226 3.488 10.340 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.686 4.752 9.760 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -15.087 3.885 11.346 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -16.304 4.511 11.051 1.00 3.91 C ATOM 0 H TRP A 129 -12.248 4.883 6.332 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.517 3.999 8.904 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.570 2.500 6.471 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.582 1.893 8.115 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.656 3.873 5.730 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.729 4.888 6.893 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.289 3.005 10.576 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.626 5.234 9.536 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -14.816 3.709 12.377 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -16.955 4.810 11.860 1.00 3.91 H new ATOM 2027 N MET A 130 -9.616 2.958 6.449 1.00 0.24 N ATOM 2028 CA MET A 130 -8.344 2.299 6.148 1.00 0.26 C ATOM 2029 C MET A 130 -7.202 2.900 6.954 1.00 0.25 C ATOM 2030 O MET A 130 -6.479 2.187 7.651 1.00 0.29 O ATOM 2031 CB MET A 130 -8.021 2.404 4.661 1.00 0.31 C ATOM 2032 CG MET A 130 -8.909 1.549 3.783 1.00 0.29 C ATOM 2033 SD MET A 130 -8.568 1.782 2.031 1.00 1.08 S ATOM 2034 CE MET A 130 -6.854 1.285 1.958 1.00 0.31 C ATOM 0 H MET A 130 -10.054 3.411 5.647 1.00 0.24 H new ATOM 0 HA MET A 130 -8.451 1.250 6.423 1.00 0.26 H new ATOM 0 HB2 MET A 130 -8.113 3.445 4.351 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.982 2.115 4.503 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.769 0.499 4.041 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.953 1.790 3.983 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.503 1.339 0.927 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.256 1.950 2.581 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.756 0.262 2.321 1.00 0.31 H new ATOM 2044 N ALA A 131 -7.038 4.212 6.851 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.957 4.896 7.546 1.00 0.24 C ATOM 2046 C ALA A 131 -6.097 4.747 9.050 1.00 0.24 C ATOM 2047 O ALA A 131 -5.113 4.493 9.746 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.908 6.361 7.160 1.00 0.25 C ATOM 0 H ALA A 131 -7.638 4.822 6.295 1.00 0.24 H new ATOM 0 HA ALA A 131 -5.019 4.430 7.243 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -5.092 6.850 7.692 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.745 6.449 6.086 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.852 6.839 7.424 1.00 0.25 H new ATOM 2054 N THR A 132 -7.315 4.895 9.552 1.00 0.26 N ATOM 2055 CA THR A 132 -7.563 4.709 10.970 1.00 0.29 C ATOM 2056 C THR A 132 -7.224 3.284 11.394 1.00 0.30 C ATOM 2057 O THR A 132 -6.590 3.073 12.426 1.00 0.32 O ATOM 2058 CB THR A 132 -9.021 5.007 11.348 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.349 6.371 11.037 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.233 4.742 12.831 1.00 0.40 C ATOM 0 H THR A 132 -8.138 5.141 9.002 1.00 0.26 H new ATOM 0 HA THR A 132 -6.920 5.417 11.493 1.00 0.29 H new ATOM 0 HB THR A 132 -9.676 4.353 10.772 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.521 6.455 10.076 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.269 4.955 13.094 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.010 3.698 13.049 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.572 5.383 13.413 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.644 2.309 10.596 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.350 0.912 10.884 1.00 0.32 C ATOM 2070 C TYR A 133 -5.845 0.706 11.003 1.00 0.32 C ATOM 2071 O TYR A 133 -5.378 -0.027 11.872 1.00 0.37 O ATOM 2072 CB TYR A 133 -7.924 -0.010 9.807 1.00 0.33 C ATOM 2073 CG TYR A 133 -7.976 -1.460 10.233 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -6.859 -2.273 10.105 1.00 1.72 C ATOM 2075 CD2 TYR A 133 -9.141 -2.020 10.744 1.00 1.29 C ATOM 2076 CE1 TYR A 133 -6.899 -3.602 10.474 1.00 2.40 C ATOM 2077 CE2 TYR A 133 -9.188 -3.348 11.118 1.00 1.93 C ATOM 2078 CZ TYR A 133 -8.078 -4.112 11.054 1.00 2.40 C ATOM 2079 OH TYR A 133 -8.112 -5.459 11.339 1.00 3.13 O ATOM 0 H TYR A 133 -8.188 2.461 9.747 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.823 0.657 11.833 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.930 0.323 9.550 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.320 0.076 8.904 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -5.943 -1.859 9.710 1.00 1.72 H new ATOM 0 HD2 TYR A 133 -10.023 -1.406 10.850 1.00 1.29 H new ATOM 0 HE1 TYR A 133 -6.042 -4.241 10.321 1.00 2.40 H new ATOM 0 HE2 TYR A 133 -10.117 -3.777 11.463 1.00 1.93 H new ATOM 0 HH TYR A 133 -8.049 -5.971 10.506 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.086 1.360 10.133 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.636 1.335 10.238 1.00 0.30 C ATOM 2091 C LEU A 134 -3.230 1.950 11.572 1.00 0.32 C ATOM 2092 O LEU A 134 -2.541 1.326 12.373 1.00 0.35 O ATOM 2093 CB LEU A 134 -2.983 2.110 9.081 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.524 1.739 8.780 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.031 2.467 7.549 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.625 2.078 9.951 1.00 0.88 C ATOM 0 H LEU A 134 -5.448 1.909 9.354 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.294 0.302 10.181 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.574 1.950 8.179 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.030 3.175 9.308 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.489 0.664 8.604 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.005 2.190 7.353 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.648 2.193 6.693 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.094 3.543 7.713 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.403 1.805 9.712 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.679 3.148 10.153 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -0.951 1.525 10.832 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.697 3.166 11.796 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.396 3.927 13.005 1.00 0.35 C ATOM 2110 C ASN A 135 -3.682 3.132 14.282 1.00 0.38 C ATOM 2111 O ASN A 135 -2.878 3.136 15.216 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.220 5.219 13.002 1.00 0.36 C ATOM 2113 CG ASN A 135 -3.540 6.371 12.288 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -2.825 7.158 12.900 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -3.767 6.485 10.990 1.00 0.34 N ATOM 0 H ASN A 135 -4.302 3.661 11.140 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.330 4.153 13.001 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.182 5.025 12.527 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.426 5.511 14.032 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.341 7.247 10.463 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.368 5.810 10.516 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.819 2.452 14.315 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.246 1.727 15.505 1.00 0.42 C ATOM 2124 C ASP A 136 -4.629 0.331 15.574 1.00 0.40 C ATOM 2125 O ASP A 136 -4.025 -0.050 16.575 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.774 1.623 15.514 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.317 0.867 16.709 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.457 1.474 17.793 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.583 -0.345 16.578 1.00 0.58 O ATOM 0 H ASP A 136 -5.465 2.387 13.529 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.902 2.280 16.379 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.199 2.627 15.504 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.103 1.128 14.600 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.789 -0.422 14.503 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.418 -1.835 14.482 1.00 0.38 C ATOM 2136 C HIS A 137 -2.988 -2.072 14.006 1.00 0.35 C ATOM 2137 O HIS A 137 -2.204 -2.747 14.670 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.374 -2.580 13.558 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.567 -3.168 14.244 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.753 -2.487 14.406 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -6.760 -4.390 14.792 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.623 -3.264 15.021 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -8.046 -4.422 15.265 1.00 1.34 N ATOM 0 H HIS A 137 -5.177 -0.080 13.624 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.482 -2.201 15.507 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.717 -1.895 12.782 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.827 -3.380 13.058 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -6.037 -5.190 14.846 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -9.637 -2.996 15.280 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -8.486 -5.216 15.731 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.663 -1.503 12.860 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.478 -1.873 12.115 1.00 0.29 C ATOM 2154 C LEU A 138 -0.200 -1.233 12.629 1.00 0.27 C ATOM 2155 O LEU A 138 0.822 -1.903 12.746 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.705 -1.475 10.674 1.00 0.30 C ATOM 2157 CG LEU A 138 -1.991 -2.622 9.727 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.709 -3.770 10.423 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.803 -2.128 8.548 1.00 1.20 C ATOM 0 H LEU A 138 -3.217 -0.768 12.420 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.333 -2.947 12.229 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.539 -0.775 10.634 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.824 -0.941 10.318 1.00 0.30 H new ATOM 0 HG LEU A 138 -1.035 -3.007 9.372 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.894 -4.571 9.707 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -2.089 -4.147 11.237 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.658 -3.415 10.824 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -3.005 -2.959 7.872 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.746 -1.713 8.904 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.244 -1.357 8.019 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.264 0.059 12.899 1.00 0.30 N ATOM 2172 CA GLU A 139 0.908 0.845 13.299 1.00 0.31 C ATOM 2173 C GLU A 139 1.769 0.131 14.357 1.00 0.30 C ATOM 2174 O GLU A 139 2.983 0.021 14.171 1.00 0.30 O ATOM 2175 CB GLU A 139 0.488 2.230 13.792 1.00 0.38 C ATOM 2176 CG GLU A 139 1.642 3.214 13.881 1.00 0.40 C ATOM 2177 CD GLU A 139 1.223 4.535 14.481 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.706 5.389 13.739 1.00 0.75 O ATOM 2179 OE2 GLU A 139 1.398 4.715 15.706 1.00 0.61 O ATOM 0 H GLU A 139 -1.127 0.601 12.849 1.00 0.30 H new ATOM 0 HA GLU A 139 1.529 0.958 12.410 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.271 2.632 13.121 1.00 0.38 H new ATOM 0 HB3 GLU A 139 0.026 2.133 14.775 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.440 2.781 14.483 1.00 0.40 H new ATOM 0 HG3 GLU A 139 2.050 3.383 12.885 1.00 0.40 H new ATOM 2186 N PRO A 140 1.181 -0.374 15.471 1.00 0.32 N ATOM 2187 CA PRO A 140 1.940 -1.136 16.470 1.00 0.34 C ATOM 2188 C PRO A 140 2.685 -2.310 15.843 1.00 0.32 C ATOM 2189 O PRO A 140 3.890 -2.470 16.038 1.00 0.34 O ATOM 2190 CB PRO A 140 0.867 -1.652 17.431 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.269 -0.707 17.283 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.241 -0.240 15.858 1.00 0.36 C ATOM 0 HA PRO A 140 2.701 -0.523 16.953 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.569 -2.670 17.180 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.233 -1.671 18.458 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.215 -1.196 17.514 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.169 0.133 17.970 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -0.887 -0.848 15.225 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.585 0.790 15.768 1.00 0.36 H new ATOM 2200 N TRP A 141 1.952 -3.108 15.072 1.00 0.31 N ATOM 2201 CA TRP A 141 2.501 -4.285 14.405 1.00 0.32 C ATOM 2202 C TRP A 141 3.660 -3.886 13.495 1.00 0.31 C ATOM 2203 O TRP A 141 4.734 -4.474 13.554 1.00 0.36 O ATOM 2204 CB TRP A 141 1.404 -4.966 13.587 1.00 0.35 C ATOM 2205 CG TRP A 141 1.564 -6.448 13.469 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.585 -7.126 12.870 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.655 -7.441 13.956 1.00 0.63 C ATOM 2208 NE1 TRP A 141 2.367 -8.479 12.960 1.00 0.60 N ATOM 2209 CE2 TRP A 141 1.189 -8.697 13.622 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -0.561 -7.387 14.644 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 0.551 -9.889 13.953 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -1.193 -8.571 14.971 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -0.635 -9.807 14.626 1.00 1.20 C ATOM 0 H TRP A 141 0.960 -2.957 14.892 1.00 0.31 H new ATOM 0 HA TRP A 141 2.874 -4.979 15.158 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.438 -4.750 14.044 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.388 -4.532 12.587 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.439 -6.666 12.395 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.983 -9.204 12.593 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -0.998 -6.437 14.915 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 0.978 -10.845 13.687 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -2.133 -8.542 15.502 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -1.153 -10.715 14.897 1.00 1.20 H new ATOM 2224 N ILE A 142 3.427 -2.875 12.669 1.00 0.26 N ATOM 2225 CA ILE A 142 4.453 -2.313 11.794 1.00 0.26 C ATOM 2226 C ILE A 142 5.761 -2.073 12.541 1.00 0.29 C ATOM 2227 O ILE A 142 6.823 -2.539 12.124 1.00 0.32 O ATOM 2228 CB ILE A 142 3.952 -0.982 11.213 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.809 -1.250 10.247 1.00 0.28 C ATOM 2230 CG2 ILE A 142 5.078 -0.222 10.532 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.946 -0.046 9.987 1.00 0.26 C ATOM 0 H ILE A 142 2.519 -2.418 12.585 1.00 0.26 H new ATOM 0 HA ILE A 142 4.645 -3.031 10.996 1.00 0.26 H new ATOM 0 HB ILE A 142 3.588 -0.356 12.027 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.219 -1.604 9.301 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.188 -2.053 10.645 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.693 0.716 10.131 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.865 -0.011 11.256 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.485 -0.825 9.720 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.152 -0.311 9.289 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.507 0.296 10.924 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.553 0.751 9.559 1.00 0.26 H new ATOM 2243 N GLN A 143 5.672 -1.341 13.639 1.00 0.30 N ATOM 2244 CA GLN A 143 6.840 -1.001 14.440 1.00 0.35 C ATOM 2245 C GLN A 143 7.546 -2.250 14.971 1.00 0.39 C ATOM 2246 O GLN A 143 8.763 -2.252 15.154 1.00 0.43 O ATOM 2247 CB GLN A 143 6.431 -0.100 15.596 1.00 0.41 C ATOM 2248 CG GLN A 143 5.679 1.143 15.152 1.00 0.43 C ATOM 2249 CD GLN A 143 6.464 1.992 14.172 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.695 2.008 14.184 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.751 2.708 13.319 1.00 0.52 N ATOM 0 H GLN A 143 4.794 -0.967 14.000 1.00 0.30 H new ATOM 0 HA GLN A 143 7.544 -0.472 13.797 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.806 -0.667 16.286 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.323 0.200 16.146 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.736 0.846 14.693 1.00 0.43 H new ATOM 0 HG3 GLN A 143 5.432 1.743 16.027 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.732 2.665 13.344 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.220 3.303 12.636 1.00 0.52 H new ATOM 2260 N GLU A 144 6.782 -3.313 15.214 1.00 0.40 N ATOM 2261 CA GLU A 144 7.341 -4.582 15.664 1.00 0.47 C ATOM 2262 C GLU A 144 8.169 -5.229 14.560 1.00 0.48 C ATOM 2263 O GLU A 144 9.048 -6.051 14.817 1.00 0.55 O ATOM 2264 CB GLU A 144 6.211 -5.531 16.051 1.00 0.51 C ATOM 2265 CG GLU A 144 5.242 -4.945 17.053 1.00 0.52 C ATOM 2266 CD GLU A 144 5.748 -5.011 18.477 1.00 0.61 C ATOM 2267 OE1 GLU A 144 5.515 -6.041 19.144 1.00 0.78 O ATOM 2268 OE2 GLU A 144 6.376 -4.034 18.937 1.00 0.67 O ATOM 0 H GLU A 144 5.768 -3.318 15.105 1.00 0.40 H new ATOM 0 HA GLU A 144 7.982 -4.388 16.524 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.663 -5.815 15.152 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.640 -6.444 16.465 1.00 0.51 H new ATOM 0 HG2 GLU A 144 5.043 -3.905 16.792 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.293 -5.477 16.986 1.00 0.52 H new ATOM 2275 N ASN A 145 7.874 -4.844 13.329 1.00 0.44 N ATOM 2276 CA ASN A 145 8.471 -5.477 12.157 1.00 0.48 C ATOM 2277 C ASN A 145 9.619 -4.631 11.633 1.00 0.47 C ATOM 2278 O ASN A 145 10.493 -5.118 10.912 1.00 0.57 O ATOM 2279 CB ASN A 145 7.422 -5.683 11.050 1.00 0.49 C ATOM 2280 CG ASN A 145 6.320 -6.665 11.430 1.00 0.58 C ATOM 2281 OD1 ASN A 145 5.987 -6.727 12.710 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 5.773 -7.359 10.577 1.00 0.54 N flip ATOM 0 H ASN A 145 7.221 -4.091 13.111 1.00 0.44 H new ATOM 0 HA ASN A 145 8.853 -6.453 12.455 1.00 0.48 H new ATOM 0 HB2 ASN A 145 6.972 -4.721 10.804 1.00 0.49 H new ATOM 0 HB3 ASN A 145 7.921 -6.041 10.150 1.00 0.49 H new ATOM 0 HD21 ASN A 145 6.056 -7.284 9.600 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.036 -8.010 10.846 1.00 0.54 H new ATOM 2289 N GLY A 146 9.605 -3.357 11.996 1.00 0.42 N ATOM 2290 CA GLY A 146 10.689 -2.474 11.636 1.00 0.45 C ATOM 2291 C GLY A 146 10.227 -1.054 11.386 1.00 0.44 C ATOM 2292 O GLY A 146 10.944 -0.102 11.679 1.00 0.56 O ATOM 0 H GLY A 146 8.858 -2.920 12.536 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.433 -2.475 12.433 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.180 -2.855 10.741 1.00 0.45 H new ATOM 2296 N GLY A 147 9.024 -0.909 10.855 1.00 0.36 N ATOM 2297 CA GLY A 147 8.517 0.408 10.528 1.00 0.36 C ATOM 2298 C GLY A 147 8.431 0.623 9.032 1.00 0.38 C ATOM 2299 O GLY A 147 8.945 -0.189 8.257 1.00 0.49 O ATOM 0 H GLY A 147 8.389 -1.679 10.644 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.529 0.537 10.971 1.00 0.36 H new ATOM 0 HA3 GLY A 147 9.165 1.166 10.967 1.00 0.36 H new ATOM 2303 N TRP A 148 7.790 1.710 8.621 1.00 0.35 N ATOM 2304 CA TRP A 148 7.616 2.001 7.207 1.00 0.37 C ATOM 2305 C TRP A 148 8.940 2.335 6.538 1.00 0.38 C ATOM 2306 O TRP A 148 9.153 1.992 5.378 1.00 0.40 O ATOM 2307 CB TRP A 148 6.623 3.142 7.003 1.00 0.39 C ATOM 2308 CG TRP A 148 5.206 2.749 7.260 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.368 3.258 8.207 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.465 1.754 6.555 1.00 1.45 C ATOM 2311 NE1 TRP A 148 3.142 2.645 8.125 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.178 1.714 7.118 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.767 0.893 5.496 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.194 0.847 6.656 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.791 0.032 5.040 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.518 0.016 5.618 1.00 3.32 C ATOM 0 H TRP A 148 7.383 2.404 9.248 1.00 0.35 H new ATOM 0 HA TRP A 148 7.217 1.101 6.739 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.889 3.967 7.664 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.710 3.511 5.981 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.630 4.029 8.917 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.336 2.849 8.716 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.747 0.902 5.043 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.210 0.830 7.100 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 4.013 -0.640 4.224 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.774 -0.667 5.237 1.00 3.32 H new ATOM 2327 N ASP A 149 9.831 2.989 7.276 1.00 0.42 N ATOM 2328 CA ASP A 149 11.139 3.361 6.739 1.00 0.47 C ATOM 2329 C ASP A 149 11.888 2.122 6.272 1.00 0.47 C ATOM 2330 O ASP A 149 12.430 2.086 5.167 1.00 0.52 O ATOM 2331 CB ASP A 149 11.979 4.088 7.788 1.00 0.56 C ATOM 2332 CG ASP A 149 11.304 5.328 8.333 1.00 1.23 C ATOM 2333 OD1 ASP A 149 11.304 6.363 7.632 1.00 1.72 O ATOM 2334 OD2 ASP A 149 10.757 5.272 9.455 1.00 1.96 O ATOM 0 H ASP A 149 9.674 3.272 8.243 1.00 0.42 H new ATOM 0 HA ASP A 149 10.972 4.031 5.895 1.00 0.47 H new ATOM 0 HB2 ASP A 149 12.192 3.406 8.611 1.00 0.56 H new ATOM 0 HB3 ASP A 149 12.937 4.366 7.349 1.00 0.56 H new ATOM 2339 N THR A 150 11.894 1.101 7.121 1.00 0.47 N ATOM 2340 CA THR A 150 12.543 -0.159 6.802 1.00 0.51 C ATOM 2341 C THR A 150 11.918 -0.804 5.571 1.00 0.50 C ATOM 2342 O THR A 150 12.612 -1.412 4.764 1.00 0.56 O ATOM 2343 CB THR A 150 12.461 -1.134 7.990 1.00 0.56 C ATOM 2344 OG1 THR A 150 13.114 -0.565 9.131 1.00 0.62 O ATOM 2345 CG2 THR A 150 13.098 -2.468 7.638 1.00 0.67 C ATOM 0 H THR A 150 11.453 1.125 8.040 1.00 0.47 H new ATOM 0 HA THR A 150 13.590 0.059 6.591 1.00 0.51 H new ATOM 0 HB THR A 150 11.411 -1.307 8.224 1.00 0.56 H new ATOM 0 HG1 THR A 150 13.058 -1.189 9.885 1.00 0.62 H new ATOM 0 HG21 THR A 150 13.028 -3.141 8.492 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.577 -2.907 6.787 1.00 0.67 H new ATOM 0 HG23 THR A 150 14.146 -2.314 7.382 1.00 0.67 H new ATOM 2353 N PHE A 151 10.610 -0.648 5.415 1.00 0.45 N ATOM 2354 CA PHE A 151 9.909 -1.242 4.288 1.00 0.47 C ATOM 2355 C PHE A 151 10.472 -0.723 2.970 1.00 0.48 C ATOM 2356 O PHE A 151 10.658 -1.485 2.022 1.00 0.55 O ATOM 2357 CB PHE A 151 8.408 -0.963 4.363 1.00 0.47 C ATOM 2358 CG PHE A 151 7.670 -1.461 3.158 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.437 -2.813 2.981 1.00 1.80 C ATOM 2360 CD2 PHE A 151 7.189 -0.572 2.213 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.742 -3.269 1.881 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.490 -1.022 1.112 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.340 -2.391 0.911 1.00 3.00 C ATOM 0 H PHE A 151 10.016 -0.117 6.052 1.00 0.45 H new ATOM 0 HA PHE A 151 10.060 -2.320 4.335 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.998 -1.435 5.256 1.00 0.47 H new ATOM 0 HB3 PHE A 151 8.246 0.110 4.466 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.803 -3.519 3.712 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.363 0.486 2.339 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.515 -4.320 1.785 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.063 -0.318 0.413 1.00 2.61 H new ATOM 0 HZ PHE A 151 5.908 -2.759 -0.008 1.00 3.00 H new ATOM 2373 N VAL A 152 10.764 0.568 2.919 1.00 0.45 N ATOM 2374 CA VAL A 152 11.336 1.165 1.722 1.00 0.49 C ATOM 2375 C VAL A 152 12.804 0.755 1.580 1.00 0.57 C ATOM 2376 O VAL A 152 13.361 0.744 0.485 1.00 0.64 O ATOM 2377 CB VAL A 152 11.164 2.710 1.673 1.00 0.60 C ATOM 2378 CG1 VAL A 152 10.222 3.181 2.763 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.490 3.451 1.746 1.00 0.91 C ATOM 0 H VAL A 152 10.615 1.220 3.689 1.00 0.45 H new ATOM 0 HA VAL A 152 10.779 0.780 0.868 1.00 0.49 H new ATOM 0 HB VAL A 152 10.726 2.947 0.704 1.00 0.60 H new ATOM 0 HG11 VAL A 152 10.117 4.265 2.710 1.00 1.15 H new ATOM 0 HG12 VAL A 152 9.246 2.714 2.627 1.00 1.15 H new ATOM 0 HG13 VAL A 152 10.625 2.903 3.737 1.00 1.15 H new ATOM 0 HG21 VAL A 152 12.309 4.525 1.708 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.996 3.201 2.679 1.00 0.91 H new ATOM 0 HG23 VAL A 152 13.117 3.158 0.904 1.00 0.91 H new ATOM 2389 N GLU A 153 13.438 0.422 2.692 1.00 0.59 N ATOM 2390 CA GLU A 153 14.789 -0.116 2.645 1.00 0.69 C ATOM 2391 C GLU A 153 14.780 -1.491 1.976 1.00 0.70 C ATOM 2392 O GLU A 153 15.798 -1.952 1.456 1.00 0.80 O ATOM 2393 CB GLU A 153 15.382 -0.196 4.049 1.00 0.76 C ATOM 2394 CG GLU A 153 15.519 1.166 4.698 1.00 0.80 C ATOM 2395 CD GLU A 153 16.562 2.036 4.025 1.00 1.31 C ATOM 2396 OE1 GLU A 153 16.225 2.703 3.024 1.00 1.67 O ATOM 2397 OE2 GLU A 153 17.722 2.055 4.488 1.00 1.58 O ATOM 0 H GLU A 153 13.045 0.513 3.629 1.00 0.59 H new ATOM 0 HA GLU A 153 15.416 0.552 2.054 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.750 -0.830 4.671 1.00 0.76 H new ATOM 0 HB3 GLU A 153 16.361 -0.672 4.000 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.556 1.675 4.670 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.782 1.038 5.748 1.00 0.80 H new ATOM 2404 N LEU A 154 13.616 -2.138 1.991 1.00 0.67 N ATOM 2405 CA LEU A 154 13.443 -3.436 1.347 1.00 0.72 C ATOM 2406 C LEU A 154 12.897 -3.269 -0.074 1.00 0.74 C ATOM 2407 O LEU A 154 13.513 -3.705 -1.047 1.00 0.83 O ATOM 2408 CB LEU A 154 12.470 -4.320 2.141 1.00 0.72 C ATOM 2409 CG LEU A 154 12.529 -4.200 3.667 1.00 0.83 C ATOM 2410 CD1 LEU A 154 11.604 -5.217 4.314 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.947 -4.370 4.181 1.00 1.14 C ATOM 0 H LEU A 154 12.775 -1.781 2.445 1.00 0.67 H new ATOM 0 HA LEU A 154 14.423 -3.912 1.313 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.455 -4.085 1.819 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.657 -5.360 1.873 1.00 0.72 H new ATOM 0 HG LEU A 154 12.195 -3.198 3.937 1.00 0.83 H new ATOM 0 HD11 LEU A 154 11.657 -5.119 5.398 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.581 -5.040 3.983 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.910 -6.223 4.025 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.954 -4.279 5.267 1.00 1.14 H new ATOM 0 HD22 LEU A 154 14.322 -5.353 3.897 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.586 -3.600 3.749 1.00 1.14 H new ATOM 2423 N TYR A 155 11.733 -2.634 -0.180 1.00 0.69 N ATOM 2424 CA TYR A 155 11.010 -2.523 -1.444 1.00 0.78 C ATOM 2425 C TYR A 155 10.787 -1.069 -1.836 1.00 0.77 C ATOM 2426 O TYR A 155 9.828 -0.744 -2.534 1.00 1.15 O ATOM 2427 CB TYR A 155 9.658 -3.226 -1.339 1.00 0.86 C ATOM 2428 CG TYR A 155 9.718 -4.715 -1.591 1.00 1.40 C ATOM 2429 CD1 TYR A 155 9.643 -5.216 -2.884 1.00 2.24 C ATOM 2430 CD2 TYR A 155 9.844 -5.618 -0.543 1.00 1.83 C ATOM 2431 CE1 TYR A 155 9.693 -6.574 -3.127 1.00 3.16 C ATOM 2432 CE2 TYR A 155 9.896 -6.979 -0.778 1.00 2.65 C ATOM 2433 CZ TYR A 155 9.820 -7.452 -2.072 1.00 3.24 C ATOM 2434 OH TYR A 155 9.868 -8.807 -2.312 1.00 4.24 O ATOM 0 H TYR A 155 11.265 -2.183 0.606 1.00 0.69 H new ATOM 0 HA TYR A 155 11.619 -2.999 -2.213 1.00 0.78 H new ATOM 0 HB2 TYR A 155 9.246 -3.052 -0.345 1.00 0.86 H new ATOM 0 HB3 TYR A 155 8.969 -2.775 -2.053 1.00 0.86 H new ATOM 0 HD1 TYR A 155 9.544 -4.532 -3.714 1.00 2.24 H new ATOM 0 HD2 TYR A 155 9.902 -5.251 0.471 1.00 1.83 H new ATOM 0 HE1 TYR A 155 9.633 -6.947 -4.139 1.00 3.16 H new ATOM 0 HE2 TYR A 155 9.996 -7.669 0.047 1.00 2.65 H new ATOM 0 HH TYR A 155 9.155 -9.254 -1.809 1.00 4.24 H new ATOM 2444 N GLY A 156 11.677 -0.203 -1.391 1.00 0.66 N ATOM 2445 CA GLY A 156 11.544 1.210 -1.674 1.00 0.64 C ATOM 2446 C GLY A 156 11.683 1.532 -3.129 1.00 0.78 C ATOM 2447 O GLY A 156 12.183 0.730 -3.920 1.00 1.10 O ATOM 0 H GLY A 156 12.495 -0.453 -0.835 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.572 1.555 -1.323 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.299 1.760 -1.112 1.00 0.64 H new ATOM 2451 N ASN A 157 11.238 2.716 -3.461 1.00 0.70 N ATOM 2452 CA ASN A 157 11.303 3.230 -4.802 1.00 0.80 C ATOM 2453 C ASN A 157 12.750 3.387 -5.248 1.00 1.14 C ATOM 2454 O ASN A 157 13.465 4.271 -4.772 1.00 1.29 O ATOM 2455 CB ASN A 157 10.600 4.571 -4.804 1.00 0.70 C ATOM 2456 CG ASN A 157 10.477 5.187 -6.182 1.00 0.77 C ATOM 2457 OD1 ASN A 157 11.365 5.907 -6.640 1.00 0.88 O ATOM 2458 ND2 ASN A 157 9.367 4.915 -6.851 1.00 0.76 N ATOM 0 H ASN A 157 10.813 3.360 -2.794 1.00 0.70 H new ATOM 0 HA ASN A 157 10.822 2.542 -5.498 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.604 4.451 -4.378 1.00 0.70 H new ATOM 0 HB3 ASN A 157 11.143 5.258 -4.155 1.00 0.70 H new ATOM 0 HD21 ASN A 157 9.223 5.307 -7.782 1.00 0.76 H new ATOM 0 HD22 ASN A 157 8.656 4.314 -6.436 1.00 0.76 H new ATOM 2465 N ASN A 158 13.179 2.530 -6.158 1.00 1.40 N ATOM 2466 CA ASN A 158 14.557 2.552 -6.624 1.00 1.79 C ATOM 2467 C ASN A 158 14.763 3.607 -7.693 1.00 1.93 C ATOM 2468 O ASN A 158 15.874 4.093 -7.866 1.00 2.18 O ATOM 2469 CB ASN A 158 14.990 1.180 -7.144 1.00 2.11 C ATOM 2470 CG ASN A 158 15.507 0.283 -6.037 1.00 2.55 C ATOM 2471 OD1 ASN A 158 14.751 -0.469 -5.422 1.00 2.99 O ATOM 2472 ND2 ASN A 158 16.801 0.359 -5.771 1.00 2.94 N ATOM 0 H ASN A 158 12.596 1.812 -6.589 1.00 1.40 H new ATOM 0 HA ASN A 158 15.181 2.807 -5.768 1.00 1.79 H new ATOM 0 HB2 ASN A 158 14.146 0.697 -7.636 1.00 2.11 H new ATOM 0 HB3 ASN A 158 15.767 1.308 -7.898 1.00 2.11 H new ATOM 0 HD21 ASN A 158 17.205 -0.218 -5.034 1.00 2.94 H new ATOM 0 HD22 ASN A 158 17.395 0.995 -6.303 1.00 2.94 H new ATOM 2479 N ALA A 159 13.689 3.980 -8.386 1.00 1.86 N ATOM 2480 CA ALA A 159 13.767 4.985 -9.447 1.00 2.10 C ATOM 2481 C ALA A 159 14.409 6.271 -8.939 1.00 2.25 C ATOM 2482 O ALA A 159 15.278 6.843 -9.596 1.00 2.52 O ATOM 2483 CB ALA A 159 12.385 5.272 -10.013 1.00 2.14 C ATOM 0 H ALA A 159 12.754 3.602 -8.233 1.00 1.86 H new ATOM 0 HA ALA A 159 14.395 4.584 -10.243 1.00 2.10 H new ATOM 0 HB1 ALA A 159 12.463 6.022 -10.801 1.00 2.14 H new ATOM 0 HB2 ALA A 159 11.963 4.355 -10.425 1.00 2.14 H new ATOM 0 HB3 ALA A 159 11.737 5.645 -9.220 1.00 2.14 H new ATOM 2489 N ALA A 160 13.985 6.713 -7.763 1.00 2.17 N ATOM 2490 CA ALA A 160 14.565 7.895 -7.143 1.00 2.44 C ATOM 2491 C ALA A 160 15.854 7.538 -6.412 1.00 2.55 C ATOM 2492 O ALA A 160 16.805 8.321 -6.395 1.00 2.87 O ATOM 2493 CB ALA A 160 13.573 8.534 -6.187 1.00 2.45 C ATOM 0 H ALA A 160 13.243 6.271 -7.220 1.00 2.17 H new ATOM 0 HA ALA A 160 14.802 8.614 -7.928 1.00 2.44 H new ATOM 0 HB1 ALA A 160 14.023 9.416 -5.732 1.00 2.45 H new ATOM 0 HB2 ALA A 160 12.676 8.825 -6.734 1.00 2.45 H new ATOM 0 HB3 ALA A 160 13.307 7.820 -5.408 1.00 2.45 H new ATOM 2499 N ALA A 161 15.875 6.344 -5.821 1.00 2.37 N ATOM 2500 CA ALA A 161 17.034 5.867 -5.071 1.00 2.60 C ATOM 2501 C ALA A 161 18.298 5.906 -5.922 1.00 2.85 C ATOM 2502 O ALA A 161 19.246 6.619 -5.598 1.00 3.20 O ATOM 2503 CB ALA A 161 16.790 4.458 -4.548 1.00 2.50 C ATOM 0 H ALA A 161 15.096 5.686 -5.848 1.00 2.37 H new ATOM 0 HA ALA A 161 17.179 6.535 -4.222 1.00 2.60 H new ATOM 0 HB1 ALA A 161 17.664 4.120 -3.992 1.00 2.50 H new ATOM 0 HB2 ALA A 161 15.920 4.459 -3.891 1.00 2.50 H new ATOM 0 HB3 ALA A 161 16.610 3.785 -5.386 1.00 2.50 H new ATOM 2509 N GLU A 162 18.298 5.162 -7.025 1.00 2.76 N ATOM 2510 CA GLU A 162 19.455 5.101 -7.911 1.00 3.08 C ATOM 2511 C GLU A 162 19.718 6.441 -8.578 1.00 3.31 C ATOM 2512 O GLU A 162 20.858 6.764 -8.896 1.00 3.67 O ATOM 2513 CB GLU A 162 19.278 4.032 -8.988 1.00 3.06 C ATOM 2514 CG GLU A 162 18.020 4.194 -9.820 1.00 3.25 C ATOM 2515 CD GLU A 162 17.902 3.150 -10.904 1.00 3.48 C ATOM 2516 OE1 GLU A 162 17.445 2.027 -10.603 1.00 3.72 O ATOM 2517 OE2 GLU A 162 18.266 3.439 -12.061 1.00 3.71 O ATOM 0 H GLU A 162 17.507 4.592 -7.326 1.00 2.76 H new ATOM 0 HA GLU A 162 20.310 4.841 -7.288 1.00 3.08 H new ATOM 0 HB2 GLU A 162 20.144 4.052 -9.650 1.00 3.06 H new ATOM 0 HB3 GLU A 162 19.263 3.051 -8.512 1.00 3.06 H new ATOM 0 HG2 GLU A 162 17.148 4.136 -9.168 1.00 3.25 H new ATOM 0 HG3 GLU A 162 18.014 5.185 -10.273 1.00 3.25 H new ATOM 2524 N SER A 163 18.670 7.222 -8.782 1.00 3.19 N ATOM 2525 CA SER A 163 18.810 8.509 -9.439 1.00 3.52 C ATOM 2526 C SER A 163 19.660 9.447 -8.583 1.00 3.81 C ATOM 2527 O SER A 163 20.509 10.179 -9.092 1.00 4.18 O ATOM 2528 CB SER A 163 17.433 9.126 -9.708 1.00 3.44 C ATOM 2529 OG SER A 163 17.542 10.363 -10.392 1.00 3.87 O ATOM 0 H SER A 163 17.717 6.988 -8.503 1.00 3.19 H new ATOM 0 HA SER A 163 19.311 8.361 -10.396 1.00 3.52 H new ATOM 0 HB2 SER A 163 16.832 8.434 -10.299 1.00 3.44 H new ATOM 0 HB3 SER A 163 16.910 9.276 -8.764 1.00 3.44 H new ATOM 0 HG SER A 163 16.647 10.730 -10.550 1.00 3.87 H new ATOM 2535 N ARG A 164 19.439 9.401 -7.276 1.00 3.70 N ATOM 2536 CA ARG A 164 20.197 10.223 -6.344 1.00 4.07 C ATOM 2537 C ARG A 164 21.441 9.476 -5.866 1.00 4.24 C ATOM 2538 O ARG A 164 22.228 9.994 -5.077 1.00 4.61 O ATOM 2539 CB ARG A 164 19.314 10.617 -5.162 1.00 4.05 C ATOM 2540 CG ARG A 164 18.092 11.405 -5.592 1.00 4.12 C ATOM 2541 CD ARG A 164 18.438 12.838 -5.961 1.00 4.41 C ATOM 2542 NE ARG A 164 18.722 13.656 -4.782 1.00 4.73 N ATOM 2543 CZ ARG A 164 19.053 14.945 -4.832 1.00 5.32 C ATOM 2544 NH1 ARG A 164 19.205 15.556 -6.000 1.00 5.65 N ATOM 2545 NH2 ARG A 164 19.236 15.621 -3.705 1.00 5.82 N ATOM 0 H ARG A 164 18.740 8.802 -6.837 1.00 3.70 H new ATOM 0 HA ARG A 164 20.522 11.130 -6.853 1.00 4.07 H new ATOM 0 HB2 ARG A 164 18.996 9.718 -4.634 1.00 4.05 H new ATOM 0 HB3 ARG A 164 19.897 11.211 -4.458 1.00 4.05 H new ATOM 0 HG2 ARG A 164 17.626 10.913 -6.446 1.00 4.12 H new ATOM 0 HG3 ARG A 164 17.359 11.405 -4.785 1.00 4.12 H new ATOM 0 HD2 ARG A 164 19.304 12.843 -6.622 1.00 4.41 H new ATOM 0 HD3 ARG A 164 17.610 13.279 -6.517 1.00 4.41 H new ATOM 0 HE ARG A 164 18.663 13.212 -3.866 1.00 4.73 H new ATOM 0 HH11 ARG A 164 19.068 15.038 -6.868 1.00 5.65 H new ATOM 0 HH12 ARG A 164 19.459 16.544 -6.030 1.00 5.65 H new ATOM 0 HH21 ARG A 164 19.123 15.153 -2.806 1.00 5.82 H new ATOM 0 HH22 ARG A 164 19.490 16.608 -3.738 1.00 5.82 H new ATOM 2559 N LYS A 165 21.599 8.254 -6.358 1.00 4.03 N ATOM 2560 CA LYS A 165 22.707 7.392 -5.970 1.00 4.26 C ATOM 2561 C LYS A 165 23.809 7.403 -7.020 1.00 4.49 C ATOM 2562 O LYS A 165 24.961 7.712 -6.729 1.00 4.77 O ATOM 2563 CB LYS A 165 22.214 5.961 -5.792 1.00 4.10 C ATOM 2564 CG LYS A 165 23.285 5.015 -5.327 1.00 4.47 C ATOM 2565 CD LYS A 165 22.853 3.567 -5.449 1.00 4.47 C ATOM 2566 CE LYS A 165 22.608 3.176 -6.897 1.00 4.43 C ATOM 2567 NZ LYS A 165 22.095 1.789 -7.016 1.00 4.72 N ATOM 0 H LYS A 165 20.964 7.833 -7.036 1.00 4.03 H new ATOM 0 HA LYS A 165 23.110 7.772 -5.031 1.00 4.26 H new ATOM 0 HB2 LYS A 165 21.395 5.953 -5.072 1.00 4.10 H new ATOM 0 HB3 LYS A 165 21.810 5.603 -6.739 1.00 4.10 H new ATOM 0 HG2 LYS A 165 24.190 5.174 -5.914 1.00 4.47 H new ATOM 0 HG3 LYS A 165 23.536 5.233 -4.289 1.00 4.47 H new ATOM 0 HD2 LYS A 165 23.620 2.921 -5.022 1.00 4.47 H new ATOM 0 HD3 LYS A 165 21.943 3.408 -4.870 1.00 4.47 H new ATOM 0 HE2 LYS A 165 21.893 3.867 -7.344 1.00 4.43 H new ATOM 0 HE3 LYS A 165 23.536 3.269 -7.460 1.00 4.43 H new ATOM 0 HZ1 LYS A 165 21.941 1.561 -8.019 1.00 4.72 H new ATOM 0 HZ2 LYS A 165 22.788 1.127 -6.613 1.00 4.72 H new ATOM 0 HZ3 LYS A 165 21.196 1.706 -6.500 1.00 4.72 H new ATOM 2581 N GLY A 166 23.434 7.067 -8.248 1.00 4.45 N ATOM 2582 CA GLY A 166 24.396 6.885 -9.315 1.00 4.72 C ATOM 2583 C GLY A 166 25.118 8.161 -9.702 1.00 4.91 C ATOM 2584 O GLY A 166 26.101 8.122 -10.442 1.00 5.10 O ATOM 0 H GLY A 166 22.464 6.916 -8.525 1.00 4.45 H new ATOM 0 HA2 GLY A 166 25.130 6.140 -9.008 1.00 4.72 H new ATOM 0 HA3 GLY A 166 23.884 6.486 -10.191 1.00 4.72 H new ATOM 2588 N GLN A 167 24.632 9.297 -9.219 1.00 4.92 N ATOM 2589 CA GLN A 167 25.301 10.569 -9.462 1.00 5.16 C ATOM 2590 C GLN A 167 26.625 10.624 -8.710 1.00 5.19 C ATOM 2591 O GLN A 167 27.528 11.371 -9.083 1.00 5.45 O ATOM 2592 CB GLN A 167 24.404 11.747 -9.069 1.00 5.30 C ATOM 2593 CG GLN A 167 23.815 11.644 -7.671 1.00 5.16 C ATOM 2594 CD GLN A 167 22.930 12.828 -7.318 1.00 5.42 C ATOM 2595 OE1 GLN A 167 22.329 13.443 -8.325 1.00 5.60 O flip ATOM 2596 NE2 GLN A 167 22.794 13.191 -6.150 1.00 5.72 N flip ATOM 0 H GLN A 167 23.782 9.364 -8.660 1.00 4.92 H new ATOM 0 HA GLN A 167 25.505 10.648 -10.530 1.00 5.16 H new ATOM 0 HB2 GLN A 167 24.982 12.668 -9.140 1.00 5.30 H new ATOM 0 HB3 GLN A 167 23.590 11.825 -9.789 1.00 5.30 H new ATOM 0 HG2 GLN A 167 23.234 10.725 -7.593 1.00 5.16 H new ATOM 0 HG3 GLN A 167 24.625 11.572 -6.945 1.00 5.16 H new ATOM 0 HE21 GLN A 167 23.274 12.691 -5.401 1.00 5.72 H new ATOM 0 HE22 GLN A 167 22.201 13.992 -5.930 1.00 5.72 H new ATOM 2605 N GLU A 168 26.742 9.797 -7.675 1.00 5.02 N ATOM 2606 CA GLU A 168 27.973 9.689 -6.900 1.00 5.17 C ATOM 2607 C GLU A 168 29.021 8.887 -7.667 1.00 5.30 C ATOM 2608 O GLU A 168 30.165 8.760 -7.232 1.00 5.55 O ATOM 2609 CB GLU A 168 27.696 9.012 -5.554 1.00 5.10 C ATOM 2610 CG GLU A 168 26.780 9.802 -4.632 1.00 5.39 C ATOM 2611 CD GLU A 168 27.430 11.062 -4.103 1.00 5.63 C ATOM 2612 OE1 GLU A 168 28.650 11.044 -3.841 1.00 5.88 O ATOM 2613 OE2 GLU A 168 26.728 12.084 -3.969 1.00 5.81 O ATOM 0 H GLU A 168 25.991 9.187 -7.352 1.00 5.02 H new ATOM 0 HA GLU A 168 28.354 10.695 -6.725 1.00 5.17 H new ATOM 0 HB2 GLU A 168 27.251 8.034 -5.737 1.00 5.10 H new ATOM 0 HB3 GLU A 168 28.644 8.841 -5.045 1.00 5.10 H new ATOM 0 HG2 GLU A 168 25.870 10.066 -5.170 1.00 5.39 H new ATOM 0 HG3 GLU A 168 26.483 9.172 -3.794 1.00 5.39 H new ATOM 2620 N ARG A 169 28.620 8.336 -8.805 1.00 5.23 N ATOM 2621 CA ARG A 169 29.525 7.547 -9.626 1.00 5.45 C ATOM 2622 C ARG A 169 30.305 8.475 -10.550 1.00 5.78 C ATOM 2623 O ARG A 169 31.444 8.193 -10.923 1.00 6.09 O ATOM 2624 CB ARG A 169 28.732 6.503 -10.428 1.00 5.37 C ATOM 2625 CG ARG A 169 29.573 5.385 -11.035 1.00 5.66 C ATOM 2626 CD ARG A 169 30.293 5.824 -12.299 1.00 6.08 C ATOM 2627 NE ARG A 169 31.156 4.774 -12.834 1.00 6.39 N ATOM 2628 CZ ARG A 169 32.340 4.999 -13.399 1.00 6.90 C ATOM 2629 NH1 ARG A 169 32.813 6.234 -13.491 1.00 7.13 N ATOM 2630 NH2 ARG A 169 33.049 3.984 -13.870 1.00 7.34 N ATOM 0 H ARG A 169 27.675 8.421 -9.179 1.00 5.23 H new ATOM 0 HA ARG A 169 30.232 7.014 -8.990 1.00 5.45 H new ATOM 0 HB2 ARG A 169 27.980 6.059 -9.775 1.00 5.37 H new ATOM 0 HB3 ARG A 169 28.197 7.012 -11.230 1.00 5.37 H new ATOM 0 HG2 ARG A 169 30.305 5.046 -10.302 1.00 5.66 H new ATOM 0 HG3 ARG A 169 28.931 4.534 -11.262 1.00 5.66 H new ATOM 0 HD2 ARG A 169 29.559 6.109 -13.053 1.00 6.08 H new ATOM 0 HD3 ARG A 169 30.891 6.710 -12.086 1.00 6.08 H new ATOM 0 HE ARG A 169 30.831 3.809 -12.771 1.00 6.39 H new ATOM 0 HH11 ARG A 169 32.269 7.017 -13.128 1.00 7.13 H new ATOM 0 HH12 ARG A 169 33.721 6.401 -13.925 1.00 7.13 H new ATOM 0 HH21 ARG A 169 32.687 3.033 -13.799 1.00 7.34 H new ATOM 0 HH22 ARG A 169 33.957 4.154 -14.303 1.00 7.34 H new ATOM 2644 N LEU A 170 29.691 9.596 -10.897 1.00 5.79 N ATOM 2645 CA LEU A 170 30.315 10.560 -11.790 1.00 6.19 C ATOM 2646 C LEU A 170 30.912 11.704 -10.989 1.00 6.32 C ATOM 2647 O LEU A 170 32.129 11.905 -10.978 1.00 6.79 O ATOM 2648 CB LEU A 170 29.311 11.097 -12.809 1.00 6.33 C ATOM 2649 CG LEU A 170 28.950 10.154 -13.967 1.00 6.61 C ATOM 2650 CD1 LEU A 170 30.204 9.653 -14.666 1.00 6.97 C ATOM 2651 CD2 LEU A 170 28.101 8.988 -13.484 1.00 6.43 C ATOM 0 H LEU A 170 28.761 9.861 -10.573 1.00 5.79 H new ATOM 0 HA LEU A 170 31.111 10.052 -12.335 1.00 6.19 H new ATOM 0 HB2 LEU A 170 28.394 11.358 -12.281 1.00 6.33 H new ATOM 0 HB3 LEU A 170 29.710 12.020 -13.230 1.00 6.33 H new ATOM 0 HG LEU A 170 28.360 10.721 -14.687 1.00 6.61 H new ATOM 0 HD11 LEU A 170 29.924 8.987 -15.482 1.00 6.97 H new ATOM 0 HD12 LEU A 170 30.762 10.501 -15.064 1.00 6.97 H new ATOM 0 HD13 LEU A 170 30.826 9.112 -13.953 1.00 6.97 H new ATOM 0 HD21 LEU A 170 27.862 8.339 -14.326 1.00 6.43 H new ATOM 0 HD22 LEU A 170 28.654 8.421 -12.734 1.00 6.43 H new ATOM 0 HD23 LEU A 170 27.178 9.367 -13.045 1.00 6.43 H new ATOM 2663 N GLU A 171 30.050 12.438 -10.308 1.00 6.03 N ATOM 2664 CA GLU A 171 30.473 13.524 -9.443 1.00 6.27 C ATOM 2665 C GLU A 171 30.152 13.164 -7.999 1.00 6.70 C ATOM 2666 O GLU A 171 30.009 11.987 -7.674 1.00 6.90 O ATOM 2667 CB GLU A 171 29.783 14.827 -9.855 1.00 6.34 C ATOM 2668 CG GLU A 171 30.193 15.309 -11.239 1.00 6.31 C ATOM 2669 CD GLU A 171 29.530 16.610 -11.634 1.00 6.67 C ATOM 2670 OE1 GLU A 171 29.991 17.678 -11.181 1.00 6.97 O ATOM 2671 OE2 GLU A 171 28.539 16.572 -12.394 1.00 6.91 O ATOM 0 H GLU A 171 29.040 12.298 -10.339 1.00 6.03 H new ATOM 0 HA GLU A 171 31.548 13.675 -9.537 1.00 6.27 H new ATOM 0 HB2 GLU A 171 28.703 14.682 -9.833 1.00 6.34 H new ATOM 0 HB3 GLU A 171 30.016 15.601 -9.124 1.00 6.34 H new ATOM 0 HG2 GLU A 171 31.275 15.436 -11.267 1.00 6.31 H new ATOM 0 HG3 GLU A 171 29.943 14.543 -11.973 1.00 6.31 H new ATOM 2678 N HIS A 172 30.056 14.152 -7.128 1.00 7.18 N ATOM 2679 CA HIS A 172 29.736 13.888 -5.734 1.00 7.91 C ATOM 2680 C HIS A 172 28.775 14.929 -5.195 1.00 8.34 C ATOM 2681 O HIS A 172 29.102 16.113 -5.113 1.00 8.55 O ATOM 2682 CB HIS A 172 31.006 13.845 -4.883 1.00 8.43 C ATOM 2683 CG HIS A 172 31.853 12.639 -5.138 1.00 8.65 C ATOM 2684 ND1 HIS A 172 33.011 12.676 -5.880 1.00 8.91 N ATOM 2685 CD2 HIS A 172 31.702 11.354 -4.746 1.00 8.94 C ATOM 2686 CE1 HIS A 172 33.538 11.468 -5.932 1.00 9.32 C ATOM 2687 NE2 HIS A 172 32.761 10.647 -5.251 1.00 9.35 N ATOM 0 H HIS A 172 30.193 15.137 -7.356 1.00 7.18 H new ATOM 0 HA HIS A 172 29.253 12.913 -5.680 1.00 7.91 H new ATOM 0 HB2 HIS A 172 31.595 14.741 -5.078 1.00 8.43 H new ATOM 0 HB3 HIS A 172 30.729 13.869 -3.829 1.00 8.43 H new ATOM 0 HD2 HIS A 172 30.896 10.958 -4.146 1.00 8.94 H new ATOM 0 HE1 HIS A 172 34.449 11.197 -6.444 1.00 9.32 H new ATOM 0 HE2 HIS A 172 32.923 9.648 -5.122 1.00 9.35 H new ATOM 2696 N HIS A 173 27.587 14.479 -4.830 1.00 8.71 N ATOM 2697 CA HIS A 173 26.563 15.361 -4.305 1.00 9.35 C ATOM 2698 C HIS A 173 26.784 15.571 -2.815 1.00 9.73 C ATOM 2699 O HIS A 173 26.560 16.663 -2.289 1.00 10.12 O ATOM 2700 CB HIS A 173 25.174 14.768 -4.567 1.00 9.85 C ATOM 2701 CG HIS A 173 24.041 15.632 -4.107 1.00 10.34 C ATOM 2702 ND1 HIS A 173 23.336 16.455 -4.951 1.00 10.84 N ATOM 2703 CD2 HIS A 173 23.489 15.793 -2.881 1.00 10.66 C ATOM 2704 CE1 HIS A 173 22.403 17.087 -4.270 1.00 11.40 C ATOM 2705 NE2 HIS A 173 22.474 16.701 -3.011 1.00 11.31 N ATOM 0 H HIS A 173 27.308 13.500 -4.889 1.00 8.71 H new ATOM 0 HA HIS A 173 26.624 16.326 -4.808 1.00 9.35 H new ATOM 0 HB2 HIS A 173 25.065 14.584 -5.636 1.00 9.85 H new ATOM 0 HB3 HIS A 173 25.104 13.801 -4.069 1.00 9.85 H new ATOM 0 HD2 HIS A 173 23.793 15.297 -1.971 1.00 10.66 H new ATOM 0 HE1 HIS A 173 21.699 17.800 -4.674 1.00 11.40 H new ATOM 0 HE2 HIS A 173 21.870 17.027 -2.256 1.00 11.31 H new ATOM 2714 N HIS A 174 27.230 14.519 -2.146 1.00 9.86 N ATOM 2715 CA HIS A 174 27.498 14.577 -0.717 1.00 10.40 C ATOM 2716 C HIS A 174 28.817 15.299 -0.456 1.00 11.06 C ATOM 2717 O HIS A 174 28.895 16.194 0.386 1.00 11.27 O ATOM 2718 CB HIS A 174 27.531 13.162 -0.128 1.00 10.58 C ATOM 2719 CG HIS A 174 27.677 13.126 1.362 1.00 10.83 C ATOM 2720 ND1 HIS A 174 28.632 12.373 2.007 1.00 11.12 N ATOM 2721 CD2 HIS A 174 26.966 13.739 2.337 1.00 11.10 C ATOM 2722 CE1 HIS A 174 28.505 12.525 3.310 1.00 11.52 C ATOM 2723 NE2 HIS A 174 27.500 13.349 3.539 1.00 11.52 N ATOM 0 H HIS A 174 27.415 13.611 -2.572 1.00 9.86 H new ATOM 0 HA HIS A 174 26.698 15.135 -0.230 1.00 10.40 H new ATOM 0 HB2 HIS A 174 26.614 12.642 -0.406 1.00 10.58 H new ATOM 0 HB3 HIS A 174 28.358 12.612 -0.577 1.00 10.58 H new ATOM 0 HD2 HIS A 174 26.132 14.411 2.195 1.00 11.10 H new ATOM 0 HE1 HIS A 174 29.120 12.055 4.063 1.00 11.52 H new ATOM 0 HE2 HIS A 174 27.174 13.647 4.458 1.00 11.52 H new ATOM 2732 N HIS A 175 29.848 14.903 -1.182 1.00 11.59 N ATOM 2733 CA HIS A 175 31.154 15.534 -1.074 1.00 12.41 C ATOM 2734 C HIS A 175 31.223 16.771 -1.961 1.00 12.84 C ATOM 2735 O HIS A 175 31.316 16.662 -3.181 1.00 13.21 O ATOM 2736 CB HIS A 175 32.255 14.540 -1.462 1.00 12.99 C ATOM 2737 CG HIS A 175 33.643 15.105 -1.409 1.00 13.51 C ATOM 2738 ND1 HIS A 175 34.428 15.057 -0.281 1.00 13.89 N ATOM 2739 CD2 HIS A 175 34.384 15.729 -2.354 1.00 13.89 C ATOM 2740 CE1 HIS A 175 35.591 15.628 -0.532 1.00 14.46 C ATOM 2741 NE2 HIS A 175 35.589 16.044 -1.784 1.00 14.48 N ATOM 0 H HIS A 175 29.806 14.141 -1.859 1.00 11.59 H new ATOM 0 HA HIS A 175 31.307 15.841 -0.040 1.00 12.41 H new ATOM 0 HB2 HIS A 175 32.201 13.678 -0.797 1.00 12.99 H new ATOM 0 HB3 HIS A 175 32.061 14.177 -2.471 1.00 12.99 H new ATOM 0 HD2 HIS A 175 34.081 15.940 -3.369 1.00 13.89 H new ATOM 0 HE1 HIS A 175 36.406 15.736 0.168 1.00 14.46 H new ATOM 0 HE2 HIS A 175 36.359 16.522 -2.251 1.00 14.48 H new ATOM 2750 N HIS A 176 31.176 17.942 -1.343 1.00 12.98 N ATOM 2751 CA HIS A 176 31.282 19.199 -2.072 1.00 13.55 C ATOM 2752 C HIS A 176 32.745 19.552 -2.301 1.00 13.90 C ATOM 2753 O HIS A 176 33.472 19.862 -1.357 1.00 14.09 O ATOM 2754 CB HIS A 176 30.581 20.331 -1.312 1.00 13.99 C ATOM 2755 CG HIS A 176 29.086 20.225 -1.306 1.00 14.45 C ATOM 2756 ND1 HIS A 176 28.271 21.108 -1.979 1.00 14.88 N ATOM 2757 CD2 HIS A 176 28.258 19.340 -0.703 1.00 14.71 C ATOM 2758 CE1 HIS A 176 27.011 20.774 -1.788 1.00 15.37 C ATOM 2759 NE2 HIS A 176 26.974 19.704 -1.019 1.00 15.28 N ATOM 0 H HIS A 176 31.065 18.049 -0.335 1.00 12.98 H new ATOM 0 HA HIS A 176 30.790 19.076 -3.037 1.00 13.55 H new ATOM 0 HB2 HIS A 176 30.939 20.340 -0.282 1.00 13.99 H new ATOM 0 HB3 HIS A 176 30.866 21.285 -1.757 1.00 13.99 H new ATOM 0 HD2 HIS A 176 28.553 18.503 -0.088 1.00 14.71 H new ATOM 0 HE1 HIS A 176 26.153 21.290 -2.193 1.00 15.37 H new ATOM 0 HE2 HIS A 176 26.128 19.225 -0.709 1.00 15.28 H new ATOM 2768 N HIS A 177 33.168 19.485 -3.557 1.00 14.14 N ATOM 2769 CA HIS A 177 34.554 19.761 -3.925 1.00 14.65 C ATOM 2770 C HIS A 177 34.895 21.232 -3.713 1.00 15.60 C ATOM 2771 O HIS A 177 36.002 21.556 -3.273 1.00 16.02 O ATOM 2772 CB HIS A 177 34.796 19.373 -5.390 1.00 14.60 C ATOM 2773 CG HIS A 177 36.189 19.655 -5.872 1.00 14.47 C ATOM 2774 ND1 HIS A 177 36.472 20.551 -6.883 1.00 14.51 N ATOM 2775 CD2 HIS A 177 37.381 19.150 -5.479 1.00 14.51 C ATOM 2776 CE1 HIS A 177 37.776 20.584 -7.085 1.00 14.56 C ATOM 2777 NE2 HIS A 177 38.349 19.743 -6.247 1.00 14.56 N ATOM 0 H HIS A 177 32.567 19.240 -4.344 1.00 14.14 H new ATOM 0 HA HIS A 177 35.202 19.165 -3.282 1.00 14.65 H new ATOM 0 HB2 HIS A 177 34.588 18.310 -5.513 1.00 14.60 H new ATOM 0 HB3 HIS A 177 34.088 19.912 -6.020 1.00 14.60 H new ATOM 0 HD1 HIS A 177 35.782 21.101 -7.394 1.00 14.51 H new ATOM 0 HD2 HIS A 177 37.540 18.415 -4.703 1.00 14.51 H new ATOM 0 HE1 HIS A 177 38.287 21.196 -7.813 1.00 14.56 H new ATOM 2786 N LEU A 178 33.933 22.103 -4.023 1.00 16.06 N ATOM 2787 CA LEU A 178 34.118 23.551 -3.950 1.00 17.08 C ATOM 2788 C LEU A 178 35.157 24.007 -4.971 1.00 17.58 C ATOM 2789 O LEU A 178 36.353 23.775 -4.808 1.00 17.74 O ATOM 2790 CB LEU A 178 34.528 23.983 -2.537 1.00 17.47 C ATOM 2791 CG LEU A 178 34.606 25.494 -2.314 1.00 17.56 C ATOM 2792 CD1 LEU A 178 33.226 26.121 -2.436 1.00 17.99 C ATOM 2793 CD2 LEU A 178 35.214 25.798 -0.957 1.00 17.68 C ATOM 0 H LEU A 178 33.002 21.822 -4.332 1.00 16.06 H new ATOM 0 HA LEU A 178 33.166 24.027 -4.185 1.00 17.08 H new ATOM 0 HB2 LEU A 178 33.817 23.563 -1.826 1.00 17.47 H new ATOM 0 HB3 LEU A 178 35.501 23.548 -2.309 1.00 17.47 H new ATOM 0 HG LEU A 178 35.248 25.926 -3.082 1.00 17.56 H new ATOM 0 HD11 LEU A 178 33.299 27.196 -2.275 1.00 17.99 H new ATOM 0 HD12 LEU A 178 32.826 25.930 -3.432 1.00 17.99 H new ATOM 0 HD13 LEU A 178 32.562 25.687 -1.689 1.00 17.99 H new ATOM 0 HD21 LEU A 178 35.263 26.877 -0.814 1.00 17.68 H new ATOM 0 HD22 LEU A 178 34.597 25.355 -0.175 1.00 17.68 H new ATOM 0 HD23 LEU A 178 36.219 25.380 -0.907 1.00 17.68 H new ATOM 2805 N GLU A 179 34.694 24.651 -6.031 1.00 17.95 N ATOM 2806 CA GLU A 179 35.579 25.082 -7.103 1.00 18.57 C ATOM 2807 C GLU A 179 36.393 26.300 -6.683 1.00 19.13 C ATOM 2808 O GLU A 179 36.134 26.904 -5.640 1.00 19.11 O ATOM 2809 CB GLU A 179 34.781 25.388 -8.369 1.00 18.91 C ATOM 2810 CG GLU A 179 34.053 24.177 -8.929 1.00 18.77 C ATOM 2811 CD GLU A 179 34.966 22.980 -9.094 1.00 18.94 C ATOM 2812 OE1 GLU A 179 35.867 23.030 -9.959 1.00 19.19 O ATOM 2813 OE2 GLU A 179 34.789 21.980 -8.365 1.00 18.93 O ATOM 0 H GLU A 179 33.712 24.887 -6.172 1.00 17.95 H new ATOM 0 HA GLU A 179 36.270 24.267 -7.316 1.00 18.57 H new ATOM 0 HB2 GLU A 179 34.055 26.171 -8.152 1.00 18.91 H new ATOM 0 HB3 GLU A 179 35.456 25.781 -9.129 1.00 18.91 H new ATOM 0 HG2 GLU A 179 33.229 23.913 -8.266 1.00 18.77 H new ATOM 0 HG3 GLU A 179 33.616 24.433 -9.894 1.00 18.77 H new ATOM 2820 N HIS A 180 37.373 26.654 -7.504 1.00 19.74 N ATOM 2821 CA HIS A 180 38.270 27.760 -7.193 1.00 20.41 C ATOM 2822 C HIS A 180 37.533 29.094 -7.266 1.00 20.84 C ATOM 2823 O HIS A 180 36.979 29.451 -8.305 1.00 21.13 O ATOM 2824 CB HIS A 180 39.468 27.768 -8.147 1.00 21.03 C ATOM 2825 CG HIS A 180 40.411 28.909 -7.909 1.00 21.37 C ATOM 2826 ND1 HIS A 180 40.600 29.930 -8.812 1.00 21.96 N ATOM 2827 CD2 HIS A 180 41.205 29.194 -6.852 1.00 21.34 C ATOM 2828 CE1 HIS A 180 41.464 30.794 -8.320 1.00 22.26 C ATOM 2829 NE2 HIS A 180 41.847 30.372 -7.131 1.00 21.90 N ATOM 0 H HIS A 180 37.567 26.191 -8.392 1.00 19.74 H new ATOM 0 HA HIS A 180 38.634 27.621 -6.175 1.00 20.41 H new ATOM 0 HB2 HIS A 180 40.012 26.829 -8.043 1.00 21.03 H new ATOM 0 HB3 HIS A 180 39.105 27.814 -9.174 1.00 21.03 H new ATOM 0 HD2 HIS A 180 41.313 28.603 -5.955 1.00 21.34 H new ATOM 0 HE1 HIS A 180 41.802 31.696 -8.808 1.00 22.26 H new ATOM 0 HE2 HIS A 180 42.512 30.845 -6.519 1.00 21.90 H new ATOM 2838 N HIS A 181 37.533 29.818 -6.158 1.00 20.99 N ATOM 2839 CA HIS A 181 36.886 31.118 -6.097 1.00 21.54 C ATOM 2840 C HIS A 181 37.681 32.157 -6.873 1.00 22.31 C ATOM 2841 O HIS A 181 38.876 32.348 -6.640 1.00 22.51 O ATOM 2842 CB HIS A 181 36.713 31.569 -4.645 1.00 21.37 C ATOM 2843 CG HIS A 181 35.711 30.762 -3.879 1.00 21.01 C ATOM 2844 ND1 HIS A 181 34.365 30.693 -3.990 1.00 20.83 N flip ATOM 2845 CD2 HIS A 181 36.052 29.912 -2.848 1.00 20.92 C flip ATOM 2846 CE1 HIS A 181 33.923 29.814 -3.035 1.00 20.64 C flip ATOM 2847 NE2 HIS A 181 34.959 29.358 -2.360 1.00 20.70 N flip ATOM 0 H HIS A 181 37.975 29.526 -5.287 1.00 20.99 H new ATOM 0 HA HIS A 181 35.901 31.022 -6.554 1.00 21.54 H new ATOM 0 HB2 HIS A 181 37.676 31.511 -4.139 1.00 21.37 H new ATOM 0 HB3 HIS A 181 36.409 32.616 -4.633 1.00 21.37 H new ATOM 0 HD1 HIS A 181 33.786 31.200 -4.659 1.00 20.83 H new ATOM 0 HD2 HIS A 181 37.056 29.729 -2.496 1.00 20.92 H new ATOM 0 HE1 HIS A 181 32.893 29.540 -2.864 1.00 20.64 H new ATOM 2856 N HIS A 182 37.012 32.822 -7.800 1.00 22.83 N ATOM 2857 CA HIS A 182 37.636 33.884 -8.576 1.00 23.69 C ATOM 2858 C HIS A 182 37.638 35.185 -7.784 1.00 24.16 C ATOM 2859 O HIS A 182 36.794 35.382 -6.909 1.00 24.40 O ATOM 2860 CB HIS A 182 36.940 34.070 -9.938 1.00 24.01 C ATOM 2861 CG HIS A 182 35.439 34.088 -9.892 1.00 24.24 C ATOM 2862 ND1 HIS A 182 34.668 33.153 -10.543 1.00 24.67 N ATOM 2863 CD2 HIS A 182 34.569 34.938 -9.298 1.00 24.22 C ATOM 2864 CE1 HIS A 182 33.393 33.424 -10.354 1.00 24.89 C ATOM 2865 NE2 HIS A 182 33.302 34.503 -9.601 1.00 24.63 N ATOM 0 H HIS A 182 36.035 32.646 -8.035 1.00 22.83 H new ATOM 0 HA HIS A 182 38.668 33.596 -8.775 1.00 23.69 H new ATOM 0 HB2 HIS A 182 37.285 35.005 -10.380 1.00 24.01 H new ATOM 0 HB3 HIS A 182 37.258 33.267 -10.603 1.00 24.01 H new ATOM 0 HD2 HIS A 182 34.824 35.799 -8.697 1.00 24.22 H new ATOM 0 HE1 HIS A 182 32.562 32.858 -10.749 1.00 24.89 H new ATOM 0 HE2 HIS A 182 32.434 34.942 -9.294 1.00 24.63 H new ATOM 2874 N HIS A 183 38.602 36.055 -8.086 1.00 24.38 N ATOM 2875 CA HIS A 183 38.763 37.334 -7.386 1.00 24.93 C ATOM 2876 C HIS A 183 39.168 37.112 -5.934 1.00 25.44 C ATOM 2877 O HIS A 183 38.824 37.899 -5.050 1.00 25.58 O ATOM 2878 CB HIS A 183 37.480 38.177 -7.451 1.00 25.08 C ATOM 2879 CG HIS A 183 37.159 38.687 -8.822 1.00 25.22 C ATOM 2880 ND1 HIS A 183 37.485 39.955 -9.249 1.00 25.36 N ATOM 2881 CD2 HIS A 183 36.538 38.091 -9.866 1.00 25.35 C ATOM 2882 CE1 HIS A 183 37.081 40.115 -10.493 1.00 25.56 C ATOM 2883 NE2 HIS A 183 36.503 38.999 -10.892 1.00 25.56 N ATOM 0 H HIS A 183 39.292 35.896 -8.820 1.00 24.38 H new ATOM 0 HA HIS A 183 39.557 37.882 -7.893 1.00 24.93 H new ATOM 0 HB2 HIS A 183 36.644 37.577 -7.092 1.00 25.08 H new ATOM 0 HB3 HIS A 183 37.579 39.024 -6.772 1.00 25.08 H new ATOM 0 HD2 HIS A 183 36.143 37.086 -9.887 1.00 25.35 H new ATOM 0 HE1 HIS A 183 37.203 41.009 -11.086 1.00 25.56 H new ATOM 0 HE2 HIS A 183 36.096 38.838 -11.813 1.00 25.56 H new ATOM 2892 N HIS A 184 39.917 36.044 -5.690 1.00 25.80 N ATOM 2893 CA HIS A 184 40.390 35.745 -4.346 1.00 26.40 C ATOM 2894 C HIS A 184 41.916 35.688 -4.315 1.00 26.96 C ATOM 2895 O HIS A 184 42.508 34.609 -4.310 1.00 27.37 O ATOM 2896 CB HIS A 184 39.791 34.426 -3.843 1.00 26.76 C ATOM 2897 CG HIS A 184 40.044 34.164 -2.387 1.00 26.84 C ATOM 2898 ND1 HIS A 184 40.768 33.088 -1.925 1.00 26.92 N ATOM 2899 CD2 HIS A 184 39.652 34.848 -1.288 1.00 26.96 C ATOM 2900 CE1 HIS A 184 40.811 33.122 -0.607 1.00 27.09 C ATOM 2901 NE2 HIS A 184 40.142 34.181 -0.195 1.00 27.11 N ATOM 0 H HIS A 184 40.208 35.374 -6.402 1.00 25.80 H new ATOM 0 HA HIS A 184 40.062 36.545 -3.682 1.00 26.40 H new ATOM 0 HB2 HIS A 184 38.715 34.435 -4.020 1.00 26.76 H new ATOM 0 HB3 HIS A 184 40.203 33.604 -4.428 1.00 26.76 H new ATOM 0 HD2 HIS A 184 39.062 35.752 -1.274 1.00 26.96 H new ATOM 0 HE1 HIS A 184 41.310 32.404 0.027 1.00 27.09 H new ATOM 0 HE2 HIS A 184 40.011 34.459 0.778 1.00 27.11 H new ATOM 2910 N HIS A 185 42.544 36.856 -4.353 1.00 27.04 N ATOM 2911 CA HIS A 185 43.994 36.957 -4.238 1.00 27.63 C ATOM 2912 C HIS A 185 44.365 38.189 -3.423 1.00 27.78 C ATOM 2913 O HIS A 185 44.413 38.082 -2.183 1.00 27.59 O ATOM 2914 CB HIS A 185 44.662 37.024 -5.617 1.00 28.05 C ATOM 2915 CG HIS A 185 44.602 35.738 -6.384 1.00 28.32 C ATOM 2916 ND1 HIS A 185 43.757 35.540 -7.450 1.00 28.85 N ATOM 2917 CD2 HIS A 185 45.297 34.584 -6.238 1.00 28.21 C ATOM 2918 CE1 HIS A 185 43.929 34.321 -7.927 1.00 29.06 C ATOM 2919 NE2 HIS A 185 44.858 33.720 -7.211 1.00 28.68 N ATOM 2920 OXT HIS A 185 44.593 39.261 -4.020 1.00 28.16 O ATOM 0 H HIS A 185 42.069 37.752 -4.463 1.00 27.04 H new ATOM 0 HA HIS A 185 44.354 36.062 -3.732 1.00 27.63 H new ATOM 0 HB2 HIS A 185 44.184 37.808 -6.204 1.00 28.05 H new ATOM 0 HB3 HIS A 185 45.706 37.312 -5.491 1.00 28.05 H new ATOM 0 HD2 HIS A 185 46.055 34.382 -5.495 1.00 28.21 H new ATOM 0 HE1 HIS A 185 43.398 33.889 -8.763 1.00 29.06 H new ATOM 0 HE2 HIS A 185 45.196 32.769 -7.356 1.00 28.68 H new TER 2929 HIS A 185 HETATM 2930 C ACE B1001 -15.473 -18.201 1.144 1.00 3.23 C HETATM 2931 O ACE B1001 -14.513 -18.746 1.691 1.00 3.56 O HETATM 2932 CH3 ACE B1001 -16.463 -17.412 1.977 1.00 4.05 C HETATM 0 H1 ACE B1001 -16.484 -16.378 1.634 1.00 4.05 H new HETATM 0 H2 ACE B1001 -17.456 -17.849 1.873 1.00 4.05 H new HETATM 0 H3 ACE B1001 -16.162 -17.441 3.024 1.00 4.05 H new ATOM 2936 N GLY B1002 -15.667 -18.283 -0.166 1.00 2.68 N ATOM 2937 CA GLY B1002 -14.770 -19.052 -1.005 1.00 2.37 C ATOM 2938 C GLY B1002 -13.431 -18.371 -1.203 1.00 2.24 C ATOM 2939 O GLY B1002 -12.386 -19.021 -1.174 1.00 2.97 O ATOM 0 H GLY B1002 -16.433 -17.829 -0.664 1.00 2.68 H new ATOM 0 HA2 GLY B1002 -14.612 -20.033 -0.558 1.00 2.37 H new ATOM 0 HA3 GLY B1002 -15.237 -19.216 -1.976 1.00 2.37 H new ATOM 2943 N CYS B1003 -13.448 -17.061 -1.396 1.00 1.72 N ATOM 2944 CA CYS B1003 -12.225 -16.325 -1.675 1.00 1.60 C ATOM 2945 C CYS B1003 -12.021 -15.228 -0.652 1.00 1.42 C ATOM 2946 O CYS B1003 -12.435 -15.374 0.493 1.00 1.55 O ATOM 2947 CB CYS B1003 -12.276 -15.708 -3.066 1.00 1.63 C ATOM 2948 SG CYS B1003 -12.969 -16.798 -4.350 1.00 1.94 S ATOM 0 H CYS B1003 -14.291 -16.488 -1.365 1.00 1.72 H new ATOM 0 HA CYS B1003 -11.393 -17.027 -1.623 1.00 1.60 H new ATOM 0 HB2 CYS B1003 -12.870 -14.795 -3.023 1.00 1.63 H new ATOM 0 HB3 CYS B1003 -11.267 -15.419 -3.359 1.00 1.63 H new ATOM 2953 N VAL B1004 -11.356 -14.145 -1.089 1.00 1.37 N ATOM 2954 CA VAL B1004 -11.128 -12.936 -0.291 1.00 1.19 C ATOM 2955 C VAL B1004 -10.736 -13.242 1.165 1.00 1.19 C ATOM 2956 O VAL B1004 -9.546 -13.389 1.435 1.00 1.63 O ATOM 2957 CB VAL B1004 -12.302 -11.950 -0.403 1.00 1.15 C ATOM 2958 CG1 VAL B1004 -12.313 -11.294 -1.771 1.00 1.41 C ATOM 2959 CG2 VAL B1004 -13.603 -12.636 -0.181 1.00 1.42 C ATOM 0 H VAL B1004 -10.956 -14.088 -2.025 1.00 1.37 H new ATOM 0 HA VAL B1004 -10.260 -12.437 -0.721 1.00 1.19 H new ATOM 0 HB VAL B1004 -12.168 -11.190 0.367 1.00 1.15 H new ATOM 0 HG11 VAL B1004 -13.150 -10.599 -1.834 1.00 1.41 H new ATOM 0 HG12 VAL B1004 -11.379 -10.752 -1.922 1.00 1.41 H new ATOM 0 HG13 VAL B1004 -12.418 -12.059 -2.540 1.00 1.41 H new ATOM 0 HG21 VAL B1004 -14.415 -11.913 -0.266 1.00 1.42 H new ATOM 0 HG22 VAL B1004 -13.734 -13.419 -0.928 1.00 1.42 H new ATOM 0 HG23 VAL B1004 -13.615 -13.079 0.815 1.00 1.42 H new ATOM 2969 N GLY B1005 -11.710 -13.309 2.087 1.00 1.02 N ATOM 2970 CA GLY B1005 -11.487 -13.911 3.405 1.00 1.07 C ATOM 2971 C GLY B1005 -10.467 -15.050 3.396 1.00 1.05 C ATOM 2972 O GLY B1005 -9.629 -15.151 4.289 1.00 1.20 O ATOM 0 H GLY B1005 -12.655 -12.954 1.942 1.00 1.02 H new ATOM 0 HA2 GLY B1005 -11.149 -13.138 4.095 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -12.436 -14.288 3.788 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.551 -15.916 2.386 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.597 -17.009 2.223 1.00 1.08 C ATOM 2978 C ARG B1006 -8.448 -16.629 1.290 1.00 1.04 C ATOM 2979 O ARG B1006 -7.297 -16.958 1.549 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.294 -18.249 1.656 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.965 -19.122 2.700 1.00 1.24 C ATOM 2982 CD ARG B1006 -11.973 -18.345 3.523 1.00 1.55 C ATOM 2983 NE ARG B1006 -12.583 -19.164 4.568 1.00 1.88 N ATOM 2984 CZ ARG B1006 -13.640 -18.786 5.291 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -14.230 -17.618 5.056 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -14.109 -19.580 6.244 1.00 2.87 N ATOM 0 H ARG B1006 -11.273 -15.880 1.667 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.191 -17.222 3.212 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.043 -17.930 0.931 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.561 -18.848 1.116 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.464 -19.957 2.209 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -10.208 -19.546 3.359 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -11.482 -17.485 3.978 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -12.752 -17.957 2.867 1.00 1.55 H new ATOM 0 HE ARG B1006 -12.177 -20.080 4.757 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -13.875 -17.006 4.321 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -15.037 -17.334 5.611 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -13.662 -20.479 6.424 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -14.916 -19.292 6.797 1.00 2.87 H new ATOM 3000 N ALA B1007 -8.769 -15.924 0.212 1.00 1.02 N ATOM 3001 CA ALA B1007 -7.826 -15.731 -0.889 1.00 1.05 C ATOM 3002 C ALA B1007 -6.779 -14.666 -0.599 1.00 1.02 C ATOM 3003 O ALA B1007 -5.593 -14.892 -0.806 1.00 1.31 O ATOM 3004 CB ALA B1007 -8.569 -15.377 -2.164 1.00 1.10 C ATOM 0 H ALA B1007 -9.675 -15.475 0.074 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.299 -16.677 -1.011 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -7.854 -15.236 -2.975 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.255 -16.184 -2.421 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.132 -14.456 -2.013 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.214 -13.514 -0.122 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.327 -12.365 0.021 1.00 0.83 C ATOM 3012 C LEU B1008 -5.422 -12.577 1.220 1.00 0.78 C ATOM 3013 O LEU B1008 -4.242 -12.230 1.196 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.163 -11.092 0.144 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.399 -11.129 -0.745 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -9.306 -9.939 -0.560 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -8.013 -11.264 -2.208 1.00 1.33 C ATOM 0 H LEU B1008 -8.175 -13.345 0.174 1.00 0.84 H new ATOM 0 HA LEU B1008 -5.691 -12.258 -0.858 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -7.468 -10.958 1.182 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.551 -10.230 -0.122 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.962 -12.009 -0.433 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -10.166 -10.030 -1.224 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -9.648 -9.900 0.474 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -8.760 -9.025 -0.797 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -8.914 -11.288 -2.821 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -7.397 -10.414 -2.502 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -7.451 -12.187 -2.352 1.00 1.33 H new ATOM 3029 N ALA B1009 -5.995 -13.174 2.256 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.239 -13.662 3.389 1.00 0.78 C ATOM 3031 C ALA B1009 -4.113 -14.574 2.916 1.00 0.80 C ATOM 3032 O ALA B1009 -2.952 -14.421 3.288 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.144 -14.437 4.327 1.00 0.88 C ATOM 0 H ALA B1009 -7.000 -13.331 2.330 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.817 -12.806 3.915 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.564 -14.799 5.176 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.941 -13.785 4.684 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.578 -15.284 3.796 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.497 -15.521 2.068 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.601 -16.546 1.559 1.00 0.94 C ATOM 3041 C ALA B1010 -2.541 -15.966 0.627 1.00 0.92 C ATOM 3042 O ALA B1010 -1.348 -16.236 0.777 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.417 -17.597 0.827 1.00 1.03 C ATOM 0 H ALA B1010 -5.450 -15.597 1.712 1.00 0.89 H new ATOM 0 HA ALA B1010 -3.078 -16.994 2.404 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.752 -18.370 0.442 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -5.134 -18.045 1.515 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -4.951 -17.131 -0.002 1.00 1.03 H new ATOM 3049 N PHE B1011 -2.983 -15.181 -0.341 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.084 -14.607 -1.333 1.00 0.93 C ATOM 3051 C PHE B1011 -1.237 -13.491 -0.738 1.00 0.85 C ATOM 3052 O PHE B1011 -0.154 -13.194 -1.244 1.00 0.89 O ATOM 3053 CB PHE B1011 -2.874 -14.082 -2.535 1.00 0.97 C ATOM 3054 CG PHE B1011 -3.256 -15.148 -3.525 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -2.320 -15.704 -4.389 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -4.560 -15.606 -3.583 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -2.678 -16.687 -5.281 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -4.924 -16.593 -4.474 1.00 1.32 C ATOM 3059 CZ PHE B1011 -3.941 -17.095 -5.383 1.00 1.46 C ATOM 0 H PHE B1011 -3.963 -14.925 -0.463 1.00 0.93 H new ATOM 0 HA PHE B1011 -1.414 -15.399 -1.666 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -3.779 -13.592 -2.177 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -2.280 -13.323 -3.044 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -1.297 -15.359 -4.359 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -5.303 -15.185 -2.922 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -1.922 -17.135 -5.909 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -5.932 -16.980 -4.485 1.00 1.32 H new ATOM 0 HZ PHE B1011 -4.222 -17.802 -6.149 1.00 1.46 H new ATOM 3069 N GLY B1012 -1.722 -12.893 0.344 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.026 -11.778 0.957 1.00 0.72 C ATOM 3071 C GLY B1012 0.202 -12.200 1.726 1.00 0.73 C ATOM 3072 O GLY B1012 0.998 -11.363 2.151 1.00 0.78 O ATOM 0 H GLY B1012 -2.589 -13.162 0.809 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -0.737 -11.068 0.183 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.708 -11.257 1.629 1.00 0.72 H new ATOM 3076 N ASP B1013 0.352 -13.501 1.909 1.00 0.78 N ATOM 3077 CA ASP B1013 1.528 -14.048 2.566 1.00 0.86 C ATOM 3078 C ASP B1013 2.743 -13.999 1.639 1.00 0.93 C ATOM 3079 O ASP B1013 3.889 -14.017 2.091 1.00 1.06 O ATOM 3080 CB ASP B1013 1.255 -15.489 3.001 1.00 0.98 C ATOM 3081 CG ASP B1013 2.412 -16.095 3.764 1.00 1.18 C ATOM 3082 OD1 ASP B1013 2.567 -15.793 4.964 1.00 1.90 O ATOM 3083 OD2 ASP B1013 3.187 -16.872 3.162 1.00 1.48 O ATOM 0 H ASP B1013 -0.328 -14.200 1.611 1.00 0.78 H new ATOM 0 HA ASP B1013 1.747 -13.442 3.445 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.361 -15.513 3.624 1.00 0.98 H new ATOM 0 HB3 ASP B1013 1.047 -16.097 2.121 1.00 0.98 H new ATOM 3088 N CYS B1014 2.491 -13.906 0.337 1.00 0.93 N ATOM 3089 CA CYS B1014 3.562 -13.958 -0.643 1.00 1.06 C ATOM 3090 C CYS B1014 3.965 -12.556 -1.082 1.00 1.08 C ATOM 3091 O CYS B1014 3.370 -11.987 -1.998 1.00 1.44 O ATOM 3092 CB CYS B1014 3.128 -14.763 -1.863 1.00 1.12 C ATOM 3093 SG CYS B1014 1.859 -16.025 -1.522 1.00 1.34 S ATOM 0 H CYS B1014 1.558 -13.795 -0.059 1.00 0.93 H new ATOM 0 HA CYS B1014 4.419 -14.442 -0.175 1.00 1.06 H new ATOM 0 HB2 CYS B1014 2.746 -14.077 -2.619 1.00 1.12 H new ATOM 0 HB3 CYS B1014 4.003 -15.252 -2.290 1.00 1.12 H new ATOM 3098 N ILE B1015 4.965 -11.999 -0.419 1.00 1.14 N ATOM 3099 CA ILE B1015 5.464 -10.672 -0.756 1.00 1.23 C ATOM 3100 C ILE B1015 6.898 -10.751 -1.261 1.00 1.67 C ATOM 3101 O ILE B1015 7.724 -9.876 -0.997 1.00 2.20 O ATOM 3102 CB ILE B1015 5.390 -9.719 0.452 1.00 1.32 C ATOM 3103 CG1 ILE B1015 6.026 -10.373 1.688 1.00 2.19 C ATOM 3104 CG2 ILE B1015 3.943 -9.331 0.718 1.00 1.41 C ATOM 3105 CD1 ILE B1015 6.083 -9.470 2.900 1.00 2.91 C ATOM 0 H ILE B1015 5.450 -12.446 0.359 1.00 1.14 H new ATOM 0 HA ILE B1015 4.827 -10.275 -1.546 1.00 1.23 H new ATOM 0 HB ILE B1015 5.952 -8.812 0.228 1.00 1.32 H new ATOM 0 HG12 ILE B1015 5.462 -11.270 1.942 1.00 2.19 H new ATOM 0 HG13 ILE B1015 7.038 -10.692 1.438 1.00 2.19 H new ATOM 0 HG21 ILE B1015 3.898 -8.657 1.574 1.00 1.41 H new ATOM 0 HG22 ILE B1015 3.533 -8.831 -0.160 1.00 1.41 H new ATOM 0 HG23 ILE B1015 3.359 -10.227 0.931 1.00 1.41 H new ATOM 0 HD11 ILE B1015 6.545 -10.004 3.730 1.00 2.91 H new ATOM 0 HD12 ILE B1015 6.672 -8.584 2.666 1.00 2.91 H new ATOM 0 HD13 ILE B1015 5.073 -9.171 3.179 1.00 2.91 H new ATOM 3117 N ASN B1016 7.173 -11.798 -2.017 1.00 2.03 N ATOM 3118 CA ASN B1016 8.512 -12.063 -2.523 1.00 2.59 C ATOM 3119 C ASN B1016 8.433 -12.907 -3.789 1.00 2.83 C ATOM 3120 O ASN B1016 9.355 -13.664 -4.104 1.00 3.29 O ATOM 3121 CB ASN B1016 9.346 -12.776 -1.448 1.00 3.32 C ATOM 3122 CG ASN B1016 8.646 -13.992 -0.862 1.00 3.73 C ATOM 3123 OD1 ASN B1016 7.908 -14.701 -1.548 1.00 4.03 O ATOM 3124 ND2 ASN B1016 8.855 -14.235 0.423 1.00 4.29 N ATOM 0 H ASN B1016 6.477 -12.489 -2.299 1.00 2.03 H new ATOM 0 HA ASN B1016 8.997 -11.118 -2.768 1.00 2.59 H new ATOM 0 HB2 ASN B1016 10.298 -13.085 -1.880 1.00 3.32 H new ATOM 0 HB3 ASN B1016 9.573 -12.073 -0.647 1.00 3.32 H new ATOM 0 HD21 ASN B1016 8.399 -15.029 0.873 1.00 4.29 H new ATOM 0 HD22 ASN B1016 9.472 -13.628 0.963 1.00 4.29 H new ATOM 3131 N ARG B1017 7.334 -12.732 -4.525 1.00 3.18 N ATOM 3132 CA ARG B1017 7.035 -13.539 -5.707 1.00 3.90 C ATOM 3133 C ARG B1017 6.893 -15.009 -5.332 1.00 4.54 C ATOM 3134 O ARG B1017 7.817 -15.804 -5.510 1.00 5.06 O ATOM 3135 CB ARG B1017 8.109 -13.361 -6.790 1.00 4.55 C ATOM 3136 CG ARG B1017 8.101 -11.987 -7.441 1.00 5.10 C ATOM 3137 CD ARG B1017 6.800 -11.735 -8.184 1.00 5.97 C ATOM 3138 NE ARG B1017 6.796 -10.446 -8.872 1.00 6.51 N ATOM 3139 CZ ARG B1017 6.243 -10.241 -10.066 1.00 7.49 C ATOM 3140 NH1 ARG B1017 5.636 -11.228 -10.708 1.00 8.03 N ATOM 3141 NH2 ARG B1017 6.282 -9.038 -10.614 1.00 8.17 N ATOM 0 H ARG B1017 6.627 -12.027 -4.318 1.00 3.18 H new ATOM 0 HA ARG B1017 6.086 -13.192 -6.116 1.00 3.90 H new ATOM 0 HB2 ARG B1017 9.090 -13.538 -6.349 1.00 4.55 H new ATOM 0 HB3 ARG B1017 7.964 -14.119 -7.560 1.00 4.55 H new ATOM 0 HG2 ARG B1017 8.241 -11.220 -6.679 1.00 5.10 H new ATOM 0 HG3 ARG B1017 8.939 -11.905 -8.133 1.00 5.10 H new ATOM 0 HD2 ARG B1017 6.638 -12.532 -8.909 1.00 5.97 H new ATOM 0 HD3 ARG B1017 5.969 -11.771 -7.480 1.00 5.97 H new ATOM 0 HE ARG B1017 7.244 -9.655 -8.410 1.00 6.51 H new ATOM 0 HH11 ARG B1017 5.589 -12.156 -10.288 1.00 8.03 H new ATOM 0 HH12 ARG B1017 5.216 -11.060 -11.622 1.00 8.03 H new ATOM 0 HH21 ARG B1017 6.735 -8.268 -10.122 1.00 8.17 H new ATOM 0 HH22 ARG B1017 5.859 -8.880 -11.528 1.00 8.17 H new HETATM 3155 N NH2 B1018 5.733 -15.371 -4.806 1.00 4.96 N TER 3158 NH2 B1018 HETATM 3159 C1 33B B1100 -12.093 -18.348 -4.003 1.00 1.93 C HETATM 3160 C2 33B B1100 -10.628 -18.110 -3.622 1.00 1.78 C HETATM 3161 O2 33B B1100 -10.030 -17.102 -3.995 1.00 2.16 O HETATM 3162 N3 33B B1100 -10.084 -19.055 -2.855 1.00 1.51 N HETATM 3163 C4 33B B1100 -8.757 -19.097 -2.698 1.00 1.44 C HETATM 3164 C5 33B B1100 -8.216 -19.344 -1.428 1.00 1.42 C HETATM 3165 C6 33B B1100 -7.893 -18.869 -3.781 1.00 1.47 C HETATM 3166 S6 33B B1100 -8.487 -18.663 -5.420 1.00 1.71 S HETATM 3167 C7 33B B1100 -6.834 -19.368 -1.250 1.00 1.43 C HETATM 3168 C8 33B B1100 -6.525 -18.885 -3.581 1.00 1.42 C HETATM 3169 C9 33B B1100 -5.996 -19.141 -2.333 1.00 1.39 C HETATM 3170 N10 33B B1100 -4.678 -19.164 -2.203 1.00 1.40 N HETATM 3171 N11 33B B1100 -4.122 -19.408 -1.137 1.00 1.51 N HETATM 3172 C12 33B B1100 -2.797 -19.377 -1.125 1.00 1.54 C HETATM 3173 C13 33B B1100 -2.076 -19.558 0.052 1.00 1.75 C HETATM 3174 C14 33B B1100 -2.143 -19.077 -2.301 1.00 1.42 C HETATM 3175 C15 33B B1100 -0.691 -19.415 0.039 1.00 1.78 C HETATM 3176 C16 33B B1100 -0.769 -18.936 -2.318 1.00 1.45 C HETATM 3177 C17 33B B1100 -0.041 -19.097 -1.153 1.00 1.60 C HETATM 3178 S17 33B B1100 0.044 -18.533 -3.810 1.00 1.38 S HETATM 3179 N18 33B B1100 1.267 -18.869 -1.177 1.00 1.62 N HETATM 3180 C19 33B B1100 1.838 -18.348 -0.092 1.00 1.65 C HETATM 3181 O19 33B B1100 1.686 -18.779 1.053 1.00 1.92 O HETATM 3182 C20 33B B1100 2.715 -17.132 -0.377 1.00 1.43 C HETATM 3183 O61 33B B1100 -8.491 -17.204 -5.775 1.00 2.13 O HETATM 3184 O62 33B B1100 -9.880 -19.209 -5.562 1.00 2.30 O HETATM 3185 O63 33B B1100 -7.580 -19.388 -6.378 1.00 2.30 O HETATM 3186 O71 33B B1100 -0.886 -18.723 -4.970 1.00 1.73 O HETATM 3187 O72 33B B1100 0.500 -17.102 -3.762 1.00 2.03 O HETATM 3188 O73 33B B1100 1.244 -19.411 -4.000 1.00 2.14 O HETATM 0 HO72 33B B1100 1.143 -16.988 -3.032 1.00 2.03 H new HETATM 0 HO62 33B B1100 -10.189 -19.082 -6.483 1.00 2.30 H new HETATM 0 HN18 33B B1100 1.821 -19.087 -2.005 1.00 1.62 H new HETATM 0 HN3 33B B1100 -10.677 -19.742 -2.390 1.00 1.51 H new HETATM 0 H8 33B B1100 -5.856 -18.693 -4.420 1.00 1.42 H new HETATM 0 H7 33B B1100 -6.413 -19.564 -0.264 1.00 1.43 H new HETATM 0 H5 33B B1100 -8.877 -19.517 -0.579 1.00 1.42 H new HETATM 0 H15 33B B1100 -0.118 -19.551 0.956 1.00 1.78 H new HETATM 0 H14 33B B1100 -2.713 -18.950 -3.222 1.00 1.42 H new HETATM 0 H13 33B B1100 -2.593 -19.810 0.978 1.00 1.75 H new