USER MOD reduce.3.24.130724 H: found=0, std=0, add=1120, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1120 hydrogens (0 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 121 ASN : amide:sc= 1.53 K(o=1.6,f=-5.1!) USER MOD Set 1.2: A 123 THR OG1 : rot 78:sc= 0.0974 USER MOD Set 2.1: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 115 MET CE :methyl -113:sc= -0.545 (180deg=-2.64!) USER MOD Set 3.1: A 58 ASN : amide:sc= -0.0775 K(o=-0.18,f=-1.8!) USER MOD Set 3.2: A 63 ASN :FLIP amide:sc= -0.0976 F(o=-6.5!,f=-0.18) USER MOD Set 4.1: A 48 SER OG : rot 179:sc= 1.25 USER MOD Set 4.2: A 66 HIS : no HE2:sc= -0.855 K(o=0.4,f=-9.4!) USER MOD Set 5.1: A 42 MET CE :methyl 164:sc= -0.0594 (180deg=-0.419) USER MOD Set 5.2: A 76 THR OG1 : rot 98:sc= 1.32 USER MOD Set 6.1: A 1 GLN :FLIP amide:sc= -1.87! F(o=-5.2,f=-3.3!) USER MOD Set 6.2: A 3 GLN :FLIP amide:sc= -1.43! C(o=-5.2!,f=-3.3!) USER MOD Single : A 1 GLN N :NH3+ -115:sc= 0.173 (180deg=-0.0597) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc=-0.00768 (180deg=-0.145) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 171:sc=-0.00997 (180deg=-0.116) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.391 K(o=0.39,f=-0.9) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.152) USER MOD Single : A 32 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.19) USER MOD Single : A 37 THR OG1 : rot -86:sc= 0.816 USER MOD Single : A 39 CYS SG : rot -70:sc= -8.95! USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= 1.13 (180deg=0.745) USER MOD Single : A 46 LYS NZ :NH3+ 132:sc= 1.28 (180deg=0.32) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 166:sc=-0.00486 (180deg=-0.155) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0463) USER MOD Single : A 57 GLN : amide:sc= -4.89! C(o=-4.9!,f=-4.4!) USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= -0.0232 (180deg=-0.219) USER MOD Single : A 68 ASN : amide:sc= -0.807! X(o=-0.81!,f=-0.52) USER MOD Single : A 72 HIS : no HE2:sc= -2.35! C(o=-2.3!,f=-7.6!) USER MOD Single : A 81 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.31) USER MOD Single : A 82 ASN : amide:sc= 0.0359 X(o=0.036,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0851) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -167:sc= -0.014 (180deg=-0.178) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 160:sc= -0.148 (180deg=-0.68) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.417 K(o=-0.42,f=-1.9!) USER MOD Single : A 130 LYS NZ :NH3+ -168:sc= -0.0107 (180deg=-0.163) USER MOD Single : A 131 SER OG : rot 175:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.088 15.155 -11.926 1.00 0.76 N ATOM 2 CA GLN A 1 -10.153 14.971 -10.796 1.00 0.55 C ATOM 3 C GLN A 1 -8.972 14.130 -11.240 1.00 0.49 C ATOM 4 O GLN A 1 -8.923 13.674 -12.382 1.00 0.60 O ATOM 5 CB GLN A 1 -10.858 14.293 -9.617 1.00 0.52 C ATOM 6 CG GLN A 1 -11.164 12.828 -9.843 1.00 0.69 C ATOM 7 CD GLN A 1 -12.150 12.284 -8.836 1.00 0.71 C ATOM 8 OE1 GLN A 1 -12.090 10.992 -8.588 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -12.977 13.017 -8.303 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -11.122 16.161 -12.189 1.00 0.76 H new ATOM 0 H2 GLN A 1 -10.763 14.595 -12.740 1.00 0.76 H new ATOM 0 H3 GLN A 1 -12.038 14.839 -11.645 1.00 0.76 H new ATOM 0 HA GLN A 1 -9.801 15.951 -10.473 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.234 14.390 -8.729 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -11.789 14.821 -9.412 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -11.564 12.694 -10.848 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -10.239 12.254 -9.789 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -12.991 14.013 -8.521 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -13.650 12.630 -7.642 1.00 0.88 H new ATOM 20 N LEU A 2 -8.031 13.916 -10.340 1.00 0.39 N ATOM 21 CA LEU A 2 -6.892 13.094 -10.626 1.00 0.36 C ATOM 22 C LEU A 2 -6.874 11.921 -9.661 1.00 0.26 C ATOM 23 O LEU A 2 -7.077 12.096 -8.458 1.00 0.27 O ATOM 24 CB LEU A 2 -5.623 13.943 -10.495 1.00 0.48 C ATOM 25 CG LEU A 2 -4.381 13.191 -10.035 1.00 0.85 C ATOM 26 CD1 LEU A 2 -3.880 12.244 -11.115 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.286 14.161 -9.624 1.00 1.32 C ATOM 0 H LEU A 2 -8.043 14.308 -9.399 1.00 0.39 H new ATOM 0 HA LEU A 2 -6.942 12.702 -11.642 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.412 14.403 -11.460 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -5.818 14.753 -9.792 1.00 0.48 H new ATOM 0 HG LEU A 2 -4.656 12.594 -9.166 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -2.993 11.721 -10.758 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.658 11.518 -11.352 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -3.630 12.813 -12.010 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -2.408 13.602 -9.299 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.021 14.792 -10.473 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -3.642 14.786 -8.805 1.00 1.32 H new ATOM 39 N GLN A 3 -6.665 10.730 -10.191 1.00 0.24 N ATOM 40 CA GLN A 3 -6.496 9.557 -9.359 1.00 0.22 C ATOM 41 C GLN A 3 -5.168 8.908 -9.689 1.00 0.22 C ATOM 42 O GLN A 3 -4.839 8.720 -10.862 1.00 0.25 O ATOM 43 CB GLN A 3 -7.611 8.526 -9.583 1.00 0.24 C ATOM 44 CG GLN A 3 -9.018 9.094 -9.674 1.00 0.26 C ATOM 45 CD GLN A 3 -10.079 8.037 -9.411 1.00 0.26 C ATOM 46 OE1 GLN A 3 -9.743 6.780 -9.651 1.00 0.33 O flip ATOM 47 NE2 GLN A 3 -11.183 8.346 -8.974 1.00 0.25 N flip ATOM 0 H GLN A 3 -6.609 10.551 -11.194 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.533 9.879 -8.318 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.398 7.980 -10.502 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.582 7.802 -8.768 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -9.128 9.905 -8.954 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -9.172 9.523 -10.664 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -11.407 9.326 -8.801 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -11.877 7.623 -8.784 1.00 0.25 H new ATOM 56 N GLU A 4 -4.408 8.568 -8.670 1.00 0.22 N ATOM 57 CA GLU A 4 -3.183 7.829 -8.880 1.00 0.25 C ATOM 58 C GLU A 4 -3.306 6.485 -8.204 1.00 0.23 C ATOM 59 O GLU A 4 -3.593 6.404 -7.010 1.00 0.27 O ATOM 60 CB GLU A 4 -1.973 8.586 -8.348 1.00 0.30 C ATOM 61 CG GLU A 4 -2.021 10.070 -8.639 1.00 0.28 C ATOM 62 CD GLU A 4 -0.655 10.647 -8.938 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.095 10.949 -7.989 1.00 0.75 O ATOM 64 OE2 GLU A 4 -0.317 10.788 -10.135 1.00 0.88 O ATOM 0 H GLU A 4 -4.615 8.789 -7.696 1.00 0.22 H new ATOM 0 HA GLU A 4 -3.030 7.695 -9.951 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.904 8.436 -7.271 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -1.068 8.166 -8.787 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.681 10.249 -9.488 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.452 10.591 -7.784 1.00 0.28 H new ATOM 71 N LYS A 5 -3.107 5.435 -8.968 1.00 0.24 N ATOM 72 CA LYS A 5 -3.311 4.101 -8.458 1.00 0.25 C ATOM 73 C LYS A 5 -1.978 3.419 -8.303 1.00 0.25 C ATOM 74 O LYS A 5 -1.267 3.186 -9.278 1.00 0.30 O ATOM 75 CB LYS A 5 -4.194 3.243 -9.374 1.00 0.30 C ATOM 76 CG LYS A 5 -5.340 3.973 -10.067 1.00 0.40 C ATOM 77 CD LYS A 5 -4.867 4.878 -11.199 1.00 0.66 C ATOM 78 CE LYS A 5 -5.992 5.214 -12.164 1.00 1.21 C ATOM 79 NZ LYS A 5 -6.370 4.049 -13.009 1.00 1.43 N ATOM 0 H LYS A 5 -2.805 5.480 -9.941 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.821 4.200 -7.500 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.561 2.792 -10.138 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.612 2.427 -8.784 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.044 3.241 -10.463 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -5.881 4.570 -9.333 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -4.460 5.799 -10.781 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.058 4.389 -11.741 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -6.863 5.552 -11.602 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -5.685 6.041 -12.804 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -6.946 4.374 -13.811 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -5.510 3.586 -13.366 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -6.918 3.372 -12.441 1.00 1.43 H new ATOM 93 N LEU A 6 -1.652 3.098 -7.083 1.00 0.23 N ATOM 94 CA LEU A 6 -0.419 2.423 -6.786 1.00 0.25 C ATOM 95 C LEU A 6 -0.740 0.982 -6.441 1.00 0.24 C ATOM 96 O LEU A 6 -1.164 0.671 -5.326 1.00 0.24 O ATOM 97 CB LEU A 6 0.278 3.159 -5.649 1.00 0.26 C ATOM 98 CG LEU A 6 0.296 4.679 -5.835 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.667 5.381 -4.544 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.258 5.068 -6.951 1.00 0.30 C ATOM 0 H LEU A 6 -2.232 3.296 -6.267 1.00 0.23 H new ATOM 0 HA LEU A 6 0.261 2.420 -7.638 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.222 2.920 -4.710 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.303 2.798 -5.565 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.708 4.997 -6.115 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.672 6.459 -4.705 1.00 0.32 H new ATOM 0 HD12 LEU A 6 -0.062 5.133 -3.772 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.658 5.057 -4.225 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.258 6.152 -7.070 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.263 4.730 -6.699 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.941 4.601 -7.884 1.00 0.30 H new ATOM 112 N TYR A 7 -0.605 0.119 -7.435 1.00 0.27 N ATOM 113 CA TYR A 7 -1.037 -1.260 -7.314 1.00 0.27 C ATOM 114 C TYR A 7 -0.134 -2.067 -6.412 1.00 0.29 C ATOM 115 O TYR A 7 1.094 -1.942 -6.448 1.00 0.38 O ATOM 116 CB TYR A 7 -1.125 -1.925 -8.684 1.00 0.32 C ATOM 117 CG TYR A 7 -2.497 -1.841 -9.305 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.880 -0.737 -10.053 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.409 -2.875 -9.140 1.00 0.36 C ATOM 120 CE1 TYR A 7 -4.137 -0.664 -10.622 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.668 -2.811 -9.707 1.00 0.46 C ATOM 122 CZ TYR A 7 -5.026 -1.702 -10.448 1.00 0.56 C ATOM 123 OH TYR A 7 -6.279 -1.631 -11.021 1.00 0.69 O ATOM 0 H TYR A 7 -0.196 0.354 -8.340 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.028 -1.237 -6.860 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.402 -1.458 -9.353 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -0.841 -2.973 -8.590 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -2.185 0.078 -10.193 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -3.130 -3.742 -8.560 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -4.421 0.203 -11.200 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -5.367 -3.623 -9.571 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.784 -2.443 -10.805 1.00 0.69 H new ATOM 133 N VAL A 8 -0.764 -2.889 -5.603 1.00 0.24 N ATOM 134 CA VAL A 8 -0.065 -3.828 -4.774 1.00 0.26 C ATOM 135 C VAL A 8 -0.815 -5.155 -4.859 1.00 0.26 C ATOM 136 O VAL A 8 -1.914 -5.313 -4.347 1.00 0.26 O ATOM 137 CB VAL A 8 0.031 -3.277 -3.335 1.00 0.36 C ATOM 138 CG1 VAL A 8 -1.339 -3.136 -2.683 1.00 1.12 C ATOM 139 CG2 VAL A 8 0.964 -4.127 -2.514 1.00 1.27 C ATOM 0 H VAL A 8 -1.779 -2.920 -5.506 1.00 0.24 H new ATOM 0 HA VAL A 8 0.960 -3.987 -5.108 1.00 0.26 H new ATOM 0 HB VAL A 8 0.446 -2.270 -3.385 1.00 0.36 H new ATOM 0 HG11 VAL A 8 -1.222 -2.745 -1.672 1.00 1.12 H new ATOM 0 HG12 VAL A 8 -1.952 -2.451 -3.269 1.00 1.12 H new ATOM 0 HG13 VAL A 8 -1.824 -4.111 -2.641 1.00 1.12 H new ATOM 0 HG21 VAL A 8 1.023 -3.728 -1.501 1.00 1.27 H new ATOM 0 HG22 VAL A 8 0.589 -5.150 -2.480 1.00 1.27 H new ATOM 0 HG23 VAL A 8 1.956 -4.119 -2.966 1.00 1.27 H new ATOM 149 N PRO A 9 -0.221 -6.138 -5.519 1.00 0.32 N ATOM 150 CA PRO A 9 -0.960 -7.316 -5.942 1.00 0.37 C ATOM 151 C PRO A 9 -1.281 -8.258 -4.793 1.00 0.34 C ATOM 152 O PRO A 9 -0.442 -9.040 -4.349 1.00 0.35 O ATOM 153 CB PRO A 9 -0.031 -7.962 -6.963 1.00 0.44 C ATOM 154 CG PRO A 9 1.340 -7.540 -6.559 1.00 0.43 C ATOM 155 CD PRO A 9 1.199 -6.191 -5.901 1.00 0.39 C ATOM 0 HA PRO A 9 -1.939 -7.064 -6.349 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -0.128 -9.048 -6.954 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.264 -7.630 -7.975 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.781 -8.262 -5.872 1.00 0.43 H new ATOM 0 HG3 PRO A 9 1.999 -7.481 -7.426 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.851 -6.099 -5.033 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.461 -5.383 -6.584 1.00 0.39 H new ATOM 163 N VAL A 10 -2.508 -8.172 -4.309 1.00 0.34 N ATOM 164 CA VAL A 10 -2.951 -9.016 -3.216 1.00 0.36 C ATOM 165 C VAL A 10 -3.132 -10.447 -3.718 1.00 0.43 C ATOM 166 O VAL A 10 -3.115 -11.407 -2.952 1.00 0.47 O ATOM 167 CB VAL A 10 -4.260 -8.491 -2.599 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.437 -8.703 -3.535 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.512 -9.127 -1.241 1.00 0.52 C ATOM 0 H VAL A 10 -3.215 -7.525 -4.657 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.191 -9.000 -2.435 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.152 -7.417 -2.451 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.346 -8.321 -3.069 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.258 -8.172 -4.470 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.553 -9.768 -3.738 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.442 -8.740 -0.825 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.587 -10.209 -1.354 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.688 -8.889 -0.569 1.00 0.52 H new ATOM 179 N LYS A 11 -3.306 -10.570 -5.027 1.00 0.49 N ATOM 180 CA LYS A 11 -3.326 -11.869 -5.683 1.00 0.58 C ATOM 181 C LYS A 11 -1.950 -12.520 -5.588 1.00 0.53 C ATOM 182 O LYS A 11 -1.826 -13.742 -5.536 1.00 0.60 O ATOM 183 CB LYS A 11 -3.735 -11.718 -7.149 1.00 0.72 C ATOM 184 CG LYS A 11 -5.144 -11.192 -7.327 1.00 1.27 C ATOM 185 CD LYS A 11 -5.463 -10.933 -8.789 1.00 1.76 C ATOM 186 CE LYS A 11 -5.405 -12.205 -9.621 1.00 2.24 C ATOM 187 NZ LYS A 11 -6.396 -13.224 -9.180 1.00 2.93 N ATOM 0 H LYS A 11 -3.436 -9.780 -5.659 1.00 0.49 H new ATOM 0 HA LYS A 11 -4.056 -12.504 -5.182 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -3.037 -11.044 -7.646 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -3.651 -12.685 -7.644 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -5.855 -11.911 -6.920 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -5.263 -10.269 -6.759 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -6.457 -10.492 -8.870 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -4.758 -10.205 -9.190 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -5.584 -11.959 -10.668 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -4.403 -12.629 -9.561 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -6.422 -14.004 -9.868 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -6.122 -13.594 -8.247 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -7.338 -12.788 -9.116 1.00 2.93 H new ATOM 201 N GLU A 12 -0.923 -11.679 -5.560 1.00 0.45 N ATOM 202 CA GLU A 12 0.454 -12.133 -5.443 1.00 0.44 C ATOM 203 C GLU A 12 0.787 -12.480 -4.004 1.00 0.39 C ATOM 204 O GLU A 12 1.523 -13.429 -3.738 1.00 0.43 O ATOM 205 CB GLU A 12 1.401 -11.053 -5.949 1.00 0.46 C ATOM 206 CG GLU A 12 1.306 -10.831 -7.449 1.00 0.60 C ATOM 207 CD GLU A 12 1.805 -12.007 -8.257 1.00 0.77 C ATOM 208 OE1 GLU A 12 1.065 -13.004 -8.389 1.00 0.96 O ATOM 209 OE2 GLU A 12 2.944 -11.940 -8.769 1.00 0.97 O ATOM 0 H GLU A 12 -1.023 -10.666 -5.618 1.00 0.45 H new ATOM 0 HA GLU A 12 0.573 -13.031 -6.050 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.183 -10.117 -5.435 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.424 -11.326 -5.692 1.00 0.46 H new ATOM 0 HG2 GLU A 12 0.268 -10.630 -7.715 1.00 0.60 H new ATOM 0 HG3 GLU A 12 1.881 -9.945 -7.716 1.00 0.60 H new ATOM 216 N TYR A 13 0.237 -11.708 -3.077 1.00 0.34 N ATOM 217 CA TYR A 13 0.468 -11.935 -1.659 1.00 0.35 C ATOM 218 C TYR A 13 -0.858 -12.158 -0.943 1.00 0.39 C ATOM 219 O TYR A 13 -1.306 -11.306 -0.178 1.00 0.40 O ATOM 220 CB TYR A 13 1.193 -10.739 -1.032 1.00 0.34 C ATOM 221 CG TYR A 13 2.336 -10.214 -1.867 1.00 0.35 C ATOM 222 CD1 TYR A 13 2.112 -9.265 -2.852 1.00 0.34 C ATOM 223 CD2 TYR A 13 3.630 -10.668 -1.678 1.00 0.44 C ATOM 224 CE1 TYR A 13 3.138 -8.779 -3.627 1.00 0.40 C ATOM 225 CE2 TYR A 13 4.672 -10.188 -2.452 1.00 0.48 C ATOM 226 CZ TYR A 13 4.420 -9.242 -3.426 1.00 0.46 C ATOM 227 OH TYR A 13 5.449 -8.757 -4.202 1.00 0.53 O ATOM 0 H TYR A 13 -0.374 -10.917 -3.283 1.00 0.34 H new ATOM 0 HA TYR A 13 1.092 -12.822 -1.551 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.475 -9.935 -0.869 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.574 -11.029 -0.053 1.00 0.34 H new ATOM 0 HD1 TYR A 13 1.109 -8.899 -3.014 1.00 0.34 H new ATOM 0 HD2 TYR A 13 3.829 -11.407 -0.916 1.00 0.44 H new ATOM 0 HE1 TYR A 13 2.940 -8.039 -4.388 1.00 0.40 H new ATOM 0 HE2 TYR A 13 5.677 -10.551 -2.295 1.00 0.48 H new ATOM 0 HH TYR A 13 6.290 -9.183 -3.934 1.00 0.53 H new ATOM 237 N PRO A 14 -1.519 -13.299 -1.188 1.00 0.47 N ATOM 238 CA PRO A 14 -2.834 -13.586 -0.613 1.00 0.55 C ATOM 239 C PRO A 14 -2.758 -13.823 0.887 1.00 0.59 C ATOM 240 O PRO A 14 -3.775 -13.829 1.582 1.00 0.68 O ATOM 241 CB PRO A 14 -3.290 -14.859 -1.338 1.00 0.64 C ATOM 242 CG PRO A 14 -2.340 -15.029 -2.477 1.00 0.75 C ATOM 243 CD PRO A 14 -1.053 -14.404 -2.034 1.00 0.52 C ATOM 0 HA PRO A 14 -3.523 -12.751 -0.741 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -3.263 -15.721 -0.672 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -4.316 -14.763 -1.693 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -2.201 -16.083 -2.715 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -2.719 -14.546 -3.378 1.00 0.75 H new ATOM 0 HD2 PRO A 14 -0.429 -15.106 -1.480 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.461 -14.049 -2.878 1.00 0.52 H new ATOM 251 N ASP A 15 -1.543 -14.028 1.382 1.00 0.57 N ATOM 252 CA ASP A 15 -1.325 -14.235 2.803 1.00 0.67 C ATOM 253 C ASP A 15 -0.714 -12.997 3.435 1.00 0.62 C ATOM 254 O ASP A 15 -0.357 -13.000 4.614 1.00 0.76 O ATOM 255 CB ASP A 15 -0.440 -15.454 3.050 1.00 0.78 C ATOM 256 CG ASP A 15 -1.133 -16.745 2.676 1.00 1.64 C ATOM 257 OD1 ASP A 15 -2.153 -17.084 3.311 1.00 2.15 O ATOM 258 OD2 ASP A 15 -0.669 -17.424 1.735 1.00 2.43 O ATOM 0 H ASP A 15 -0.694 -14.055 0.817 1.00 0.57 H new ATOM 0 HA ASP A 15 -2.293 -14.420 3.269 1.00 0.67 H new ATOM 0 HB2 ASP A 15 0.480 -15.357 2.473 1.00 0.78 H new ATOM 0 HB3 ASP A 15 -0.155 -15.487 4.102 1.00 0.78 H new ATOM 263 N PHE A 16 -0.593 -11.938 2.645 1.00 0.48 N ATOM 264 CA PHE A 16 -0.193 -10.652 3.173 1.00 0.43 C ATOM 265 C PHE A 16 -1.342 -9.675 3.021 1.00 0.37 C ATOM 266 O PHE A 16 -1.679 -9.252 1.917 1.00 0.36 O ATOM 267 CB PHE A 16 1.052 -10.097 2.493 1.00 0.41 C ATOM 268 CG PHE A 16 1.630 -8.952 3.272 1.00 0.40 C ATOM 269 CD1 PHE A 16 2.415 -9.194 4.386 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.372 -7.641 2.913 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.929 -8.151 5.127 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.888 -6.595 3.649 1.00 0.36 C ATOM 273 CZ PHE A 16 2.667 -6.851 4.755 1.00 0.49 C ATOM 0 H PHE A 16 -0.767 -11.950 1.640 1.00 0.48 H new ATOM 0 HA PHE A 16 0.058 -10.790 4.225 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.798 -10.886 2.393 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.802 -9.765 1.485 1.00 0.41 H new ATOM 0 HD1 PHE A 16 2.627 -10.212 4.678 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.760 -7.435 2.047 1.00 0.34 H new ATOM 0 HE1 PHE A 16 3.536 -8.353 5.997 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.681 -5.576 3.358 1.00 0.36 H new ATOM 0 HZ PHE A 16 3.073 -6.032 5.331 1.00 0.49 H new ATOM 283 N ASN A 17 -1.948 -9.324 4.134 1.00 0.37 N ATOM 284 CA ASN A 17 -3.111 -8.467 4.108 1.00 0.35 C ATOM 285 C ASN A 17 -2.723 -7.007 3.964 1.00 0.30 C ATOM 286 O ASN A 17 -2.548 -6.314 4.947 1.00 0.30 O ATOM 287 CB ASN A 17 -3.968 -8.679 5.367 1.00 0.45 C ATOM 288 CG ASN A 17 -3.183 -8.765 6.686 1.00 0.74 C ATOM 289 OD1 ASN A 17 -3.491 -9.604 7.530 1.00 1.29 O ATOM 290 ND2 ASN A 17 -2.225 -7.869 6.917 1.00 0.71 N ATOM 0 H ASN A 17 -1.655 -9.618 5.066 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.704 -8.739 3.235 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -4.684 -7.861 5.442 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -4.544 -9.596 5.245 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -1.730 -7.870 7.809 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -1.986 -7.182 6.202 1.00 0.71 H new ATOM 297 N PHE A 18 -2.578 -6.520 2.738 1.00 0.28 N ATOM 298 CA PHE A 18 -2.255 -5.112 2.556 1.00 0.26 C ATOM 299 C PHE A 18 -3.337 -4.243 3.170 1.00 0.27 C ATOM 300 O PHE A 18 -3.060 -3.176 3.680 1.00 0.27 O ATOM 301 CB PHE A 18 -2.060 -4.743 1.094 1.00 0.24 C ATOM 302 CG PHE A 18 -0.936 -5.480 0.442 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.357 -5.246 0.855 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.163 -6.387 -0.585 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.414 -5.892 0.265 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.104 -7.045 -1.185 1.00 0.25 C ATOM 307 CZ PHE A 18 1.186 -6.792 -0.759 1.00 0.25 C ATOM 0 H PHE A 18 -2.675 -7.061 1.879 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.307 -4.934 3.064 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -2.982 -4.946 0.549 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -1.874 -3.672 1.019 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.542 -4.544 1.655 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.172 -6.580 -0.917 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.422 -5.698 0.600 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.284 -7.752 -1.981 1.00 0.25 H new ATOM 0 HZ PHE A 18 2.017 -7.298 -1.227 1.00 0.25 H new ATOM 317 N VAL A 19 -4.569 -4.714 3.140 1.00 0.31 N ATOM 318 CA VAL A 19 -5.653 -4.030 3.824 1.00 0.32 C ATOM 319 C VAL A 19 -5.420 -4.015 5.333 1.00 0.29 C ATOM 320 O VAL A 19 -5.419 -2.955 5.947 1.00 0.27 O ATOM 321 CB VAL A 19 -7.009 -4.684 3.490 1.00 0.41 C ATOM 322 CG1 VAL A 19 -8.082 -4.270 4.479 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.420 -4.315 2.074 1.00 1.13 C ATOM 0 H VAL A 19 -4.845 -5.565 2.651 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.676 -2.998 3.473 1.00 0.32 H new ATOM 0 HB VAL A 19 -6.896 -5.766 3.563 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -9.025 -4.749 4.214 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -7.789 -4.576 5.483 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -8.204 -3.187 4.451 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.379 -4.779 1.841 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -7.511 -3.232 1.992 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.665 -4.669 1.372 1.00 1.13 H new ATOM 333 N GLY A 20 -5.159 -5.177 5.915 1.00 0.33 N ATOM 334 CA GLY A 20 -4.884 -5.248 7.341 1.00 0.35 C ATOM 335 C GLY A 20 -3.557 -4.610 7.706 1.00 0.32 C ATOM 336 O GLY A 20 -3.268 -4.376 8.874 1.00 0.38 O ATOM 0 H GLY A 20 -5.132 -6.073 5.428 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.685 -4.752 7.888 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -4.881 -6.291 7.656 1.00 0.35 H new ATOM 340 N ARG A 21 -2.757 -4.337 6.693 1.00 0.29 N ATOM 341 CA ARG A 21 -1.435 -3.764 6.865 1.00 0.32 C ATOM 342 C ARG A 21 -1.464 -2.251 6.661 1.00 0.31 C ATOM 343 O ARG A 21 -0.793 -1.503 7.377 1.00 0.39 O ATOM 344 CB ARG A 21 -0.480 -4.464 5.880 1.00 0.33 C ATOM 345 CG ARG A 21 0.629 -3.609 5.284 1.00 0.56 C ATOM 346 CD ARG A 21 1.664 -3.181 6.309 1.00 0.52 C ATOM 347 NE ARG A 21 1.917 -4.193 7.327 1.00 1.51 N ATOM 348 CZ ARG A 21 3.066 -4.845 7.442 1.00 2.26 C ATOM 349 NH1 ARG A 21 4.004 -4.689 6.520 1.00 2.34 N ATOM 350 NH2 ARG A 21 3.261 -5.674 8.456 1.00 3.20 N ATOM 0 H ARG A 21 -3.008 -4.508 5.719 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.081 -3.926 7.883 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.021 -5.309 6.393 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.073 -4.872 5.062 1.00 0.33 H new ATOM 0 HG2 ARG A 21 1.123 -4.167 4.488 1.00 0.56 H new ATOM 0 HG3 ARG A 21 0.190 -2.722 4.826 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.598 -2.948 5.797 1.00 0.52 H new ATOM 0 HD3 ARG A 21 1.329 -2.264 6.793 1.00 0.52 H new ATOM 0 HE ARG A 21 1.170 -4.411 7.986 1.00 1.51 H new ATOM 0 HH11 ARG A 21 3.841 -4.070 5.726 1.00 2.34 H new ATOM 0 HH12 ARG A 21 4.890 -5.188 6.604 1.00 2.34 H new ATOM 0 HH21 ARG A 21 2.527 -5.812 9.150 1.00 3.20 H new ATOM 0 HH22 ARG A 21 4.145 -6.175 8.543 1.00 3.20 H new ATOM 364 N ILE A 22 -2.251 -1.808 5.697 1.00 0.27 N ATOM 365 CA ILE A 22 -2.327 -0.396 5.366 1.00 0.31 C ATOM 366 C ILE A 22 -3.397 0.311 6.192 1.00 0.28 C ATOM 367 O ILE A 22 -3.098 1.251 6.924 1.00 0.32 O ATOM 368 CB ILE A 22 -2.652 -0.219 3.863 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.506 -0.752 2.999 1.00 0.51 C ATOM 370 CG2 ILE A 22 -2.945 1.236 3.529 1.00 0.52 C ATOM 371 CD1 ILE A 22 -1.814 -0.767 1.518 1.00 0.99 C ATOM 0 H ILE A 22 -2.848 -2.408 5.128 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.358 0.049 5.593 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.549 -0.798 3.644 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -0.620 -0.141 3.170 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -1.262 -1.765 3.320 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.169 1.327 2.466 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -3.801 1.578 4.111 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.075 1.847 3.770 1.00 0.52 H new ATOM 0 HD11 ILE A 22 -0.955 -1.157 0.972 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -2.681 -1.402 1.333 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -2.028 0.247 1.181 1.00 0.99 H new ATOM 383 N LEU A 23 -4.637 -0.159 6.104 1.00 0.30 N ATOM 384 CA LEU A 23 -5.714 0.462 6.856 1.00 0.35 C ATOM 385 C LEU A 23 -6.151 -0.378 8.056 1.00 0.37 C ATOM 386 O LEU A 23 -7.033 0.036 8.812 1.00 0.47 O ATOM 387 CB LEU A 23 -6.906 0.908 5.962 1.00 0.59 C ATOM 388 CG LEU A 23 -7.623 -0.127 5.067 1.00 0.68 C ATOM 389 CD1 LEU A 23 -6.677 -0.772 4.068 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.343 -1.176 5.896 1.00 1.15 C ATOM 0 H LEU A 23 -4.915 -0.954 5.529 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.299 1.383 7.266 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -7.658 1.347 6.618 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -6.545 1.705 5.312 1.00 0.59 H new ATOM 0 HG LEU A 23 -8.373 0.418 4.494 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -7.225 -1.492 3.461 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -6.250 -0.004 3.423 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -5.876 -1.283 4.603 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.836 -1.888 5.234 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -7.623 -1.702 6.522 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -9.088 -0.692 6.528 1.00 1.15 H new ATOM 402 N GLY A 24 -5.527 -1.547 8.237 1.00 0.35 N ATOM 403 CA GLY A 24 -5.869 -2.419 9.352 1.00 0.45 C ATOM 404 C GLY A 24 -5.837 -1.705 10.691 1.00 0.56 C ATOM 405 O GLY A 24 -6.882 -1.306 11.205 1.00 0.70 O ATOM 0 H GLY A 24 -4.790 -1.904 7.629 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -6.864 -2.834 9.191 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.174 -3.258 9.377 1.00 0.45 H new ATOM 409 N PRO A 25 -4.654 -1.539 11.291 1.00 0.59 N ATOM 410 CA PRO A 25 -4.500 -0.780 12.525 1.00 0.74 C ATOM 411 C PRO A 25 -4.290 0.708 12.261 1.00 0.75 C ATOM 412 O PRO A 25 -4.405 1.535 13.163 1.00 0.90 O ATOM 413 CB PRO A 25 -3.253 -1.401 13.146 1.00 0.85 C ATOM 414 CG PRO A 25 -2.420 -1.831 11.982 1.00 0.77 C ATOM 415 CD PRO A 25 -3.369 -2.108 10.838 1.00 0.57 C ATOM 0 HA PRO A 25 -5.383 -0.829 13.162 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -2.721 -0.682 13.769 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -3.508 -2.247 13.784 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -1.706 -1.054 11.711 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -1.843 -2.722 12.229 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -3.028 -1.639 9.915 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -3.454 -3.177 10.640 1.00 0.57 H new ATOM 423 N ARG A 26 -3.972 1.038 11.015 1.00 0.64 N ATOM 424 CA ARG A 26 -3.601 2.397 10.654 1.00 0.71 C ATOM 425 C ARG A 26 -4.564 3.007 9.639 1.00 0.59 C ATOM 426 O ARG A 26 -4.185 3.913 8.905 1.00 0.63 O ATOM 427 CB ARG A 26 -2.177 2.418 10.100 1.00 0.88 C ATOM 428 CG ARG A 26 -1.118 2.153 11.152 1.00 1.34 C ATOM 429 CD ARG A 26 0.267 2.043 10.539 1.00 1.33 C ATOM 430 NE ARG A 26 0.391 0.866 9.678 1.00 1.92 N ATOM 431 CZ ARG A 26 1.491 0.116 9.605 1.00 2.49 C ATOM 432 NH1 ARG A 26 2.557 0.414 10.337 1.00 2.67 N ATOM 433 NH2 ARG A 26 1.520 -0.942 8.805 1.00 3.43 N ATOM 0 H ARG A 26 -3.964 0.379 10.236 1.00 0.64 H new ATOM 0 HA ARG A 26 -3.654 3.002 11.559 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -2.091 1.670 9.312 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -1.988 3.388 9.641 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -1.127 2.957 11.888 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -1.355 1.231 11.683 1.00 1.34 H new ATOM 0 HD2 ARG A 26 0.480 2.941 9.959 1.00 1.33 H new ATOM 0 HD3 ARG A 26 1.012 1.992 11.333 1.00 1.33 H new ATOM 0 HE ARG A 26 -0.409 0.605 9.101 1.00 1.92 H new ATOM 0 HH11 ARG A 26 2.538 1.221 10.960 1.00 2.67 H new ATOM 0 HH12 ARG A 26 3.395 -0.164 10.276 1.00 2.67 H new ATOM 0 HH21 ARG A 26 0.701 -1.181 8.246 1.00 3.43 H new ATOM 0 HH22 ARG A 26 2.361 -1.516 8.749 1.00 3.43 H new ATOM 447 N GLY A 27 -5.809 2.530 9.605 1.00 0.54 N ATOM 448 CA GLY A 27 -6.811 3.127 8.727 1.00 0.56 C ATOM 449 C GLY A 27 -6.959 4.615 8.964 1.00 0.58 C ATOM 450 O GLY A 27 -7.296 5.379 8.053 1.00 0.56 O ATOM 0 H GLY A 27 -6.142 1.746 10.165 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -6.533 2.951 7.688 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -7.771 2.637 8.887 1.00 0.56 H new ATOM 454 N LEU A 28 -6.674 5.020 10.194 1.00 0.64 N ATOM 455 CA LEU A 28 -6.699 6.420 10.583 1.00 0.68 C ATOM 456 C LEU A 28 -5.802 7.261 9.680 1.00 0.58 C ATOM 457 O LEU A 28 -6.092 8.431 9.438 1.00 0.55 O ATOM 458 CB LEU A 28 -6.250 6.570 12.038 1.00 0.82 C ATOM 459 CG LEU A 28 -7.152 5.893 13.070 1.00 1.46 C ATOM 460 CD1 LEU A 28 -6.526 5.964 14.453 1.00 1.96 C ATOM 461 CD2 LEU A 28 -8.526 6.542 13.075 1.00 2.25 C ATOM 0 H LEU A 28 -6.419 4.385 10.950 1.00 0.64 H new ATOM 0 HA LEU A 28 -7.723 6.778 10.479 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -5.244 6.162 12.135 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -6.187 7.632 12.275 1.00 0.82 H new ATOM 0 HG LEU A 28 -7.264 4.844 12.797 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -7.182 5.477 15.175 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -5.560 5.459 14.442 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -6.386 7.007 14.736 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -9.158 6.050 13.814 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -8.429 7.598 13.326 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -8.978 6.444 12.088 1.00 2.25 H new ATOM 473 N THR A 29 -4.727 6.662 9.167 1.00 0.56 N ATOM 474 CA THR A 29 -3.782 7.396 8.343 1.00 0.52 C ATOM 475 C THR A 29 -4.427 7.803 7.020 1.00 0.42 C ATOM 476 O THR A 29 -4.262 8.935 6.580 1.00 0.41 O ATOM 477 CB THR A 29 -2.459 6.607 8.107 1.00 0.58 C ATOM 478 OG1 THR A 29 -1.389 7.518 7.827 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.571 5.614 6.955 1.00 0.48 C ATOM 0 H THR A 29 -4.495 5.679 9.309 1.00 0.56 H new ATOM 0 HA THR A 29 -3.511 8.299 8.889 1.00 0.52 H new ATOM 0 HB THR A 29 -2.258 6.046 9.020 1.00 0.58 H new ATOM 0 HG1 THR A 29 -0.561 7.015 7.682 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.623 5.091 6.832 1.00 0.48 H new ATOM 0 HG22 THR A 29 -3.358 4.892 7.172 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.812 6.148 6.036 1.00 0.48 H new ATOM 487 N ALA A 30 -5.225 6.911 6.434 1.00 0.39 N ATOM 488 CA ALA A 30 -5.903 7.217 5.179 1.00 0.34 C ATOM 489 C ALA A 30 -6.888 8.352 5.405 1.00 0.32 C ATOM 490 O ALA A 30 -7.077 9.226 4.558 1.00 0.28 O ATOM 491 CB ALA A 30 -6.614 5.984 4.637 1.00 0.38 C ATOM 0 H ALA A 30 -5.415 5.980 6.805 1.00 0.39 H new ATOM 0 HA ALA A 30 -5.165 7.526 4.438 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -7.113 6.234 3.701 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.886 5.193 4.460 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -7.353 5.642 5.362 1.00 0.38 H new ATOM 497 N LYS A 31 -7.482 8.332 6.588 1.00 0.38 N ATOM 498 CA LYS A 31 -8.410 9.364 7.018 1.00 0.41 C ATOM 499 C LYS A 31 -7.699 10.710 7.162 1.00 0.38 C ATOM 500 O LYS A 31 -8.254 11.761 6.842 1.00 0.39 O ATOM 501 CB LYS A 31 -9.006 8.961 8.363 1.00 0.49 C ATOM 502 CG LYS A 31 -10.137 9.856 8.835 1.00 1.16 C ATOM 503 CD LYS A 31 -10.628 9.456 10.219 1.00 1.63 C ATOM 504 CE LYS A 31 -11.797 10.323 10.666 1.00 2.36 C ATOM 505 NZ LYS A 31 -11.437 11.766 10.735 1.00 3.09 N ATOM 0 H LYS A 31 -7.333 7.596 7.279 1.00 0.38 H new ATOM 0 HA LYS A 31 -9.195 9.468 6.269 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -9.373 7.937 8.293 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -8.216 8.966 9.114 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -9.798 10.892 8.854 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -10.963 9.804 8.126 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -10.932 8.409 10.210 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -9.812 9.545 10.936 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -12.629 10.191 9.975 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -12.140 9.989 11.645 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -12.203 12.293 11.202 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -10.558 11.879 11.279 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -11.299 12.136 9.773 1.00 3.09 H new ATOM 519 N GLN A 32 -6.473 10.669 7.666 1.00 0.38 N ATOM 520 CA GLN A 32 -5.694 11.886 7.871 1.00 0.40 C ATOM 521 C GLN A 32 -5.241 12.458 6.539 1.00 0.32 C ATOM 522 O GLN A 32 -5.193 13.673 6.363 1.00 0.33 O ATOM 523 CB GLN A 32 -4.475 11.623 8.762 1.00 0.47 C ATOM 524 CG GLN A 32 -4.817 11.055 10.129 1.00 0.55 C ATOM 525 CD GLN A 32 -5.863 11.868 10.863 1.00 0.63 C ATOM 526 OE1 GLN A 32 -5.544 12.801 11.602 1.00 0.72 O ATOM 527 NE2 GLN A 32 -7.122 11.512 10.669 1.00 0.64 N ATOM 0 H GLN A 32 -5.996 9.810 7.940 1.00 0.38 H new ATOM 0 HA GLN A 32 -6.338 12.609 8.372 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.806 10.931 8.250 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.927 12.556 8.895 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -5.176 10.032 10.012 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -3.911 11.008 10.734 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.342 10.733 10.048 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -7.873 12.017 11.140 1.00 0.64 H new ATOM 536 N LEU A 33 -4.923 11.578 5.598 1.00 0.28 N ATOM 537 CA LEU A 33 -4.427 12.012 4.302 1.00 0.25 C ATOM 538 C LEU A 33 -5.500 12.785 3.558 1.00 0.21 C ATOM 539 O LEU A 33 -5.217 13.834 3.002 1.00 0.22 O ATOM 540 CB LEU A 33 -3.939 10.825 3.457 1.00 0.28 C ATOM 541 CG LEU A 33 -3.019 9.824 4.173 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.283 8.942 3.171 1.00 1.20 C ATOM 543 CD2 LEU A 33 -2.041 10.541 5.093 1.00 1.61 C ATOM 0 H LEU A 33 -4.999 10.567 5.708 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.574 12.668 4.476 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.811 10.286 3.085 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -3.411 11.216 2.587 1.00 0.28 H new ATOM 0 HG LEU A 33 -3.644 9.178 4.789 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.639 8.243 3.705 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -3.007 8.386 2.575 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -1.676 9.565 2.515 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -1.402 9.809 5.587 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -1.425 11.224 4.508 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.594 11.105 5.844 1.00 1.61 H new ATOM 555 N GLU A 34 -6.736 12.315 3.586 1.00 0.21 N ATOM 556 CA GLU A 34 -7.800 13.013 2.875 1.00 0.25 C ATOM 557 C GLU A 34 -8.126 14.329 3.566 1.00 0.29 C ATOM 558 O GLU A 34 -8.394 15.339 2.916 1.00 0.33 O ATOM 559 CB GLU A 34 -9.058 12.150 2.740 1.00 0.31 C ATOM 560 CG GLU A 34 -9.541 11.527 4.041 1.00 0.38 C ATOM 561 CD GLU A 34 -10.902 10.877 3.902 1.00 0.54 C ATOM 562 OE1 GLU A 34 -10.976 9.764 3.333 1.00 0.63 O ATOM 563 OE2 GLU A 34 -11.903 11.465 4.366 1.00 0.87 O ATOM 0 H GLU A 34 -7.026 11.472 4.081 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.439 13.222 1.868 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.860 12.762 2.326 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.861 11.354 2.022 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.818 10.782 4.374 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.586 12.295 4.813 1.00 0.38 H new ATOM 570 N ALA A 35 -8.078 14.310 4.890 1.00 0.30 N ATOM 571 CA ALA A 35 -8.339 15.502 5.678 1.00 0.36 C ATOM 572 C ALA A 35 -7.267 16.563 5.449 1.00 0.35 C ATOM 573 O ALA A 35 -7.570 17.748 5.313 1.00 0.42 O ATOM 574 CB ALA A 35 -8.421 15.152 7.155 1.00 0.40 C ATOM 0 H ALA A 35 -7.860 13.480 5.441 1.00 0.30 H new ATOM 0 HA ALA A 35 -9.296 15.913 5.356 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.617 16.055 7.733 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -9.228 14.437 7.315 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.477 14.713 7.478 1.00 0.40 H new ATOM 580 N GLU A 36 -6.016 16.129 5.401 1.00 0.30 N ATOM 581 CA GLU A 36 -4.892 17.049 5.292 1.00 0.34 C ATOM 582 C GLU A 36 -4.518 17.360 3.849 1.00 0.31 C ATOM 583 O GLU A 36 -4.420 18.527 3.472 1.00 0.41 O ATOM 584 CB GLU A 36 -3.676 16.490 6.029 1.00 0.38 C ATOM 585 CG GLU A 36 -3.650 16.853 7.501 1.00 0.74 C ATOM 586 CD GLU A 36 -3.586 18.350 7.702 1.00 1.25 C ATOM 587 OE1 GLU A 36 -2.536 18.954 7.406 1.00 1.69 O ATOM 588 OE2 GLU A 36 -4.583 18.928 8.179 1.00 1.73 O ATOM 0 H GLU A 36 -5.753 15.144 5.436 1.00 0.30 H new ATOM 0 HA GLU A 36 -5.210 17.984 5.752 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.666 15.405 5.929 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.768 16.862 5.554 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -4.540 16.457 7.990 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -2.789 16.384 7.977 1.00 0.74 H new ATOM 595 N THR A 37 -4.312 16.334 3.036 1.00 0.24 N ATOM 596 CA THR A 37 -3.807 16.546 1.689 1.00 0.26 C ATOM 597 C THR A 37 -4.912 17.053 0.768 1.00 0.28 C ATOM 598 O THR A 37 -4.645 17.667 -0.264 1.00 0.35 O ATOM 599 CB THR A 37 -3.182 15.269 1.078 1.00 0.28 C ATOM 600 OG1 THR A 37 -4.201 14.320 0.748 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.189 14.634 2.042 1.00 0.29 C ATOM 0 H THR A 37 -4.484 15.359 3.282 1.00 0.24 H new ATOM 0 HA THR A 37 -3.022 17.297 1.774 1.00 0.26 H new ATOM 0 HB THR A 37 -2.654 15.559 0.170 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.408 13.775 1.536 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.764 13.738 1.589 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.391 15.343 2.262 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.700 14.365 2.966 1.00 0.29 H new ATOM 609 N GLY A 38 -6.157 16.800 1.161 1.00 0.28 N ATOM 610 CA GLY A 38 -7.285 17.104 0.302 1.00 0.35 C ATOM 611 C GLY A 38 -7.541 15.977 -0.666 1.00 0.35 C ATOM 612 O GLY A 38 -8.483 16.013 -1.457 1.00 0.44 O ATOM 0 H GLY A 38 -6.404 16.389 2.061 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.174 17.277 0.909 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -7.091 18.025 -0.248 1.00 0.35 H new ATOM 616 N CYS A 39 -6.691 14.972 -0.596 1.00 0.29 N ATOM 617 CA CYS A 39 -6.842 13.792 -1.406 1.00 0.26 C ATOM 618 C CYS A 39 -7.419 12.668 -0.598 1.00 0.35 C ATOM 619 O CYS A 39 -6.798 12.195 0.353 1.00 0.73 O ATOM 620 CB CYS A 39 -5.502 13.355 -1.960 1.00 0.37 C ATOM 621 SG CYS A 39 -5.547 11.759 -2.778 1.00 1.29 S ATOM 0 H CYS A 39 -5.881 14.955 0.023 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.517 14.035 -2.227 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -5.148 14.106 -2.667 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.777 13.316 -1.147 1.00 0.37 H new ATOM 0 HG CYS A 39 -5.722 10.823 -1.893 1.00 1.29 H new ATOM 627 N LYS A 40 -8.580 12.208 -0.995 1.00 0.28 N ATOM 628 CA LYS A 40 -9.165 11.071 -0.359 1.00 0.27 C ATOM 629 C LYS A 40 -8.521 9.827 -0.920 1.00 0.24 C ATOM 630 O LYS A 40 -8.898 9.345 -1.985 1.00 0.26 O ATOM 631 CB LYS A 40 -10.670 11.051 -0.570 1.00 0.35 C ATOM 632 CG LYS A 40 -11.361 9.939 0.194 1.00 1.07 C ATOM 633 CD LYS A 40 -12.844 9.898 -0.101 1.00 1.36 C ATOM 634 CE LYS A 40 -13.568 8.962 0.853 1.00 1.62 C ATOM 635 NZ LYS A 40 -13.462 9.414 2.268 1.00 2.51 N ATOM 0 H LYS A 40 -9.131 12.608 -1.754 1.00 0.28 H new ATOM 0 HA LYS A 40 -8.992 11.118 0.716 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -11.087 12.010 -0.262 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.881 10.939 -1.634 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -10.911 8.982 -0.069 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -11.206 10.081 1.264 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -13.262 10.901 -0.018 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -13.004 9.570 -1.128 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -14.619 8.899 0.571 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -13.152 7.959 0.761 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -14.175 8.922 2.844 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -12.512 9.196 2.632 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -13.624 10.440 2.318 1.00 2.51 H new ATOM 649 N ILE A 41 -7.520 9.333 -0.224 1.00 0.22 N ATOM 650 CA ILE A 41 -6.836 8.141 -0.657 1.00 0.21 C ATOM 651 C ILE A 41 -7.661 6.931 -0.278 1.00 0.23 C ATOM 652 O ILE A 41 -7.859 6.629 0.901 1.00 0.29 O ATOM 653 CB ILE A 41 -5.417 8.049 -0.057 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.789 6.679 -0.334 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.438 8.334 1.442 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.407 6.517 0.266 1.00 0.25 C ATOM 0 H ILE A 41 -7.165 9.739 0.642 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.720 8.178 -1.740 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.803 8.809 -0.541 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.442 5.902 0.062 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.729 6.526 -1.412 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.426 8.263 1.840 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.827 9.337 1.616 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -6.077 7.606 1.942 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -3.022 5.524 0.031 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.739 7.272 -0.149 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.464 6.638 1.348 1.00 0.25 H new ATOM 668 N MET A 42 -8.176 6.263 -1.284 1.00 0.20 N ATOM 669 CA MET A 42 -9.038 5.139 -1.067 1.00 0.21 C ATOM 670 C MET A 42 -8.320 3.879 -1.479 1.00 0.20 C ATOM 671 O MET A 42 -7.703 3.821 -2.547 1.00 0.21 O ATOM 672 CB MET A 42 -10.342 5.293 -1.856 1.00 0.26 C ATOM 673 CG MET A 42 -10.132 5.490 -3.352 1.00 0.29 C ATOM 674 SD MET A 42 -11.680 5.534 -4.276 1.00 0.45 S ATOM 675 CE MET A 42 -12.440 7.006 -3.590 1.00 1.43 C ATOM 0 H MET A 42 -8.008 6.486 -2.265 1.00 0.20 H new ATOM 0 HA MET A 42 -9.293 5.084 -0.009 1.00 0.21 H new ATOM 0 HB2 MET A 42 -10.959 4.408 -1.698 1.00 0.26 H new ATOM 0 HB3 MET A 42 -10.897 6.144 -1.461 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.588 6.420 -3.518 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.508 4.683 -3.736 1.00 0.29 H new ATOM 0 HE1 MET A 42 -13.253 7.331 -4.239 1.00 1.43 H new ATOM 0 HE2 MET A 42 -12.834 6.784 -2.598 1.00 1.43 H new ATOM 0 HE3 MET A 42 -11.696 7.799 -3.516 1.00 1.43 H new ATOM 685 N VAL A 43 -8.374 2.875 -0.637 1.00 0.22 N ATOM 686 CA VAL A 43 -7.793 1.613 -0.985 1.00 0.25 C ATOM 687 C VAL A 43 -8.790 0.863 -1.844 1.00 0.27 C ATOM 688 O VAL A 43 -9.867 0.490 -1.382 1.00 0.41 O ATOM 689 CB VAL A 43 -7.425 0.780 0.255 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.270 -0.142 -0.070 1.00 0.51 C ATOM 691 CG2 VAL A 43 -7.077 1.671 1.444 1.00 0.79 C ATOM 0 H VAL A 43 -8.811 2.912 0.284 1.00 0.22 H new ATOM 0 HA VAL A 43 -6.864 1.788 -1.528 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.294 0.184 0.534 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.014 -0.729 0.812 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -6.556 -0.811 -0.881 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.407 0.450 -0.375 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -6.822 1.049 2.302 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.226 2.303 1.188 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -7.933 2.298 1.692 1.00 0.79 H new ATOM 701 N ARG A 44 -8.448 0.677 -3.099 1.00 0.29 N ATOM 702 CA ARG A 44 -9.349 0.048 -4.035 1.00 0.31 C ATOM 703 C ARG A 44 -8.965 -1.398 -4.217 1.00 0.38 C ATOM 704 O ARG A 44 -7.812 -1.765 -4.035 1.00 0.71 O ATOM 705 CB ARG A 44 -9.356 0.769 -5.381 1.00 0.33 C ATOM 706 CG ARG A 44 -9.961 2.161 -5.334 1.00 0.37 C ATOM 707 CD ARG A 44 -10.446 2.589 -6.703 1.00 0.50 C ATOM 708 NE ARG A 44 -11.549 3.540 -6.614 1.00 0.56 N ATOM 709 CZ ARG A 44 -12.506 3.659 -7.535 1.00 0.72 C ATOM 710 NH1 ARG A 44 -12.552 2.829 -8.574 1.00 1.26 N ATOM 711 NH2 ARG A 44 -13.445 4.584 -7.396 1.00 1.10 N ATOM 0 H ARG A 44 -7.550 0.954 -3.495 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.358 0.107 -3.627 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.332 0.841 -5.748 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.911 0.167 -6.101 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.792 2.176 -4.629 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.219 2.871 -4.969 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -9.622 3.039 -7.256 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.766 1.712 -7.266 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.591 4.151 -5.798 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -11.851 2.094 -8.671 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -13.288 2.928 -9.273 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -13.435 5.203 -6.586 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -14.178 4.677 -8.099 1.00 1.10 H new ATOM 725 N GLY A 45 -9.926 -2.213 -4.579 1.00 0.26 N ATOM 726 CA GLY A 45 -9.688 -3.626 -4.662 1.00 0.29 C ATOM 727 C GLY A 45 -10.486 -4.372 -3.627 1.00 0.29 C ATOM 728 O GLY A 45 -11.364 -3.798 -2.972 1.00 0.33 O ATOM 0 H GLY A 45 -10.873 -1.921 -4.819 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.952 -3.984 -5.657 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.626 -3.828 -4.522 1.00 0.29 H new ATOM 732 N LYS A 46 -10.188 -5.641 -3.472 1.00 0.39 N ATOM 733 CA LYS A 46 -10.890 -6.471 -2.520 1.00 0.50 C ATOM 734 C LYS A 46 -10.411 -6.179 -1.098 1.00 0.50 C ATOM 735 O LYS A 46 -9.248 -6.397 -0.764 1.00 0.62 O ATOM 736 CB LYS A 46 -10.695 -7.951 -2.885 1.00 0.74 C ATOM 737 CG LYS A 46 -9.242 -8.414 -2.853 1.00 0.90 C ATOM 738 CD LYS A 46 -8.930 -9.417 -3.956 1.00 0.94 C ATOM 739 CE LYS A 46 -9.071 -8.787 -5.331 1.00 0.72 C ATOM 740 NZ LYS A 46 -8.460 -9.620 -6.400 1.00 1.45 N ATOM 0 H LYS A 46 -9.459 -6.124 -3.997 1.00 0.39 H new ATOM 0 HA LYS A 46 -11.955 -6.244 -2.559 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -11.276 -8.564 -2.195 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -11.098 -8.124 -3.883 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -8.585 -7.550 -2.955 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -9.028 -8.865 -1.884 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -7.916 -9.796 -3.830 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -9.602 -10.271 -3.874 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -10.128 -8.635 -5.552 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -8.601 -7.803 -5.327 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -9.129 -9.715 -7.191 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -7.587 -9.167 -6.737 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -8.237 -10.562 -6.021 1.00 1.45 H new ATOM 754 N GLY A 47 -11.298 -5.639 -0.271 1.00 0.57 N ATOM 755 CA GLY A 47 -10.956 -5.460 1.127 1.00 0.68 C ATOM 756 C GLY A 47 -10.984 -4.015 1.567 1.00 0.51 C ATOM 757 O GLY A 47 -10.529 -3.687 2.654 1.00 0.60 O ATOM 0 H GLY A 47 -12.232 -5.327 -0.537 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -11.651 -6.033 1.741 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -9.961 -5.868 1.306 1.00 0.68 H new ATOM 761 N SER A 48 -11.549 -3.154 0.739 1.00 0.54 N ATOM 762 CA SER A 48 -11.634 -1.740 1.069 1.00 0.72 C ATOM 763 C SER A 48 -12.544 -1.524 2.279 1.00 1.02 C ATOM 764 O SER A 48 -12.114 -1.013 3.312 1.00 1.43 O ATOM 765 CB SER A 48 -12.185 -0.989 -0.138 1.00 0.82 C ATOM 766 OG SER A 48 -12.342 0.396 0.121 1.00 1.31 O ATOM 0 H SER A 48 -11.954 -3.406 -0.163 1.00 0.54 H new ATOM 0 HA SER A 48 -10.641 -1.366 1.320 1.00 0.72 H new ATOM 0 HB2 SER A 48 -11.514 -1.125 -0.986 1.00 0.82 H new ATOM 0 HB3 SER A 48 -13.147 -1.416 -0.421 1.00 0.82 H new ATOM 0 HG SER A 48 -12.681 0.843 -0.683 1.00 1.31 H new ATOM 772 N MET A 49 -13.802 -1.912 2.137 1.00 1.18 N ATOM 773 CA MET A 49 -14.759 -1.876 3.235 1.00 1.58 C ATOM 774 C MET A 49 -15.364 -3.257 3.430 1.00 1.30 C ATOM 775 O MET A 49 -16.536 -3.378 3.763 1.00 1.70 O ATOM 776 CB MET A 49 -15.856 -0.834 2.997 1.00 2.49 C ATOM 777 CG MET A 49 -15.354 0.602 2.982 1.00 3.25 C ATOM 778 SD MET A 49 -16.684 1.793 2.715 1.00 4.35 S ATOM 779 CE MET A 49 -15.765 3.332 2.716 1.00 5.15 C ATOM 0 H MET A 49 -14.189 -2.260 1.260 1.00 1.18 H new ATOM 0 HA MET A 49 -14.228 -1.583 4.141 1.00 1.58 H new ATOM 0 HB2 MET A 49 -16.345 -1.047 2.046 1.00 2.49 H new ATOM 0 HB3 MET A 49 -16.613 -0.935 3.774 1.00 2.49 H new ATOM 0 HG2 MET A 49 -14.859 0.821 3.928 1.00 3.25 H new ATOM 0 HG3 MET A 49 -14.606 0.714 2.197 1.00 3.25 H new ATOM 0 HE1 MET A 49 -16.451 4.165 2.561 1.00 5.15 H new ATOM 0 HE2 MET A 49 -15.258 3.452 3.673 1.00 5.15 H new ATOM 0 HE3 MET A 49 -15.027 3.316 1.914 1.00 5.15 H new ATOM 789 N ARG A 50 -14.547 -4.285 3.182 1.00 0.89 N ATOM 790 CA ARG A 50 -14.966 -5.704 3.208 1.00 1.28 C ATOM 791 C ARG A 50 -15.502 -6.178 4.568 1.00 1.22 C ATOM 792 O ARG A 50 -15.436 -7.367 4.883 1.00 1.55 O ATOM 793 CB ARG A 50 -13.785 -6.584 2.799 1.00 1.65 C ATOM 794 CG ARG A 50 -13.900 -7.150 1.395 1.00 2.14 C ATOM 795 CD ARG A 50 -14.954 -8.242 1.310 1.00 2.26 C ATOM 796 NE ARG A 50 -14.575 -9.435 2.066 1.00 3.05 N ATOM 797 CZ ARG A 50 -15.249 -10.588 2.032 1.00 3.84 C ATOM 798 NH1 ARG A 50 -16.394 -10.678 1.361 1.00 4.04 N ATOM 799 NH2 ARG A 50 -14.798 -11.639 2.703 1.00 4.74 N ATOM 0 H ARG A 50 -13.561 -4.161 2.954 1.00 0.89 H new ATOM 0 HA ARG A 50 -15.794 -5.792 2.505 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -12.867 -6.001 2.871 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -13.696 -7.408 3.507 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -14.150 -6.349 0.700 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -12.935 -7.551 1.085 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -15.902 -7.860 1.689 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -15.113 -8.511 0.266 1.00 2.26 H new ATOM 0 HE ARG A 50 -13.744 -9.384 2.656 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -16.762 -9.864 0.869 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -16.904 -11.561 1.339 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -13.937 -11.567 3.245 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -15.312 -12.519 2.677 1.00 4.74 H new ATOM 813 N ASP A 51 -16.029 -5.268 5.360 1.00 0.99 N ATOM 814 CA ASP A 51 -16.614 -5.609 6.639 1.00 1.15 C ATOM 815 C ASP A 51 -17.990 -6.214 6.395 1.00 1.27 C ATOM 816 O ASP A 51 -18.721 -5.751 5.517 1.00 1.24 O ATOM 817 CB ASP A 51 -16.733 -4.354 7.502 1.00 1.25 C ATOM 818 CG ASP A 51 -16.816 -4.667 8.977 1.00 1.85 C ATOM 819 OD1 ASP A 51 -17.836 -5.251 9.397 1.00 2.67 O ATOM 820 OD2 ASP A 51 -15.874 -4.329 9.717 1.00 1.97 O ATOM 0 H ASP A 51 -16.064 -4.274 5.136 1.00 0.99 H new ATOM 0 HA ASP A 51 -15.984 -6.329 7.162 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -15.873 -3.709 7.319 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -17.620 -3.795 7.203 1.00 1.25 H new ATOM 825 N LYS A 52 -18.346 -7.238 7.159 1.00 1.46 N ATOM 826 CA LYS A 52 -19.597 -7.957 6.928 1.00 1.63 C ATOM 827 C LYS A 52 -20.802 -7.041 7.116 1.00 1.60 C ATOM 828 O LYS A 52 -21.835 -7.196 6.453 1.00 1.65 O ATOM 829 CB LYS A 52 -19.702 -9.175 7.845 1.00 1.89 C ATOM 830 CG LYS A 52 -18.594 -10.201 7.626 1.00 2.13 C ATOM 831 CD LYS A 52 -18.473 -10.595 6.160 1.00 2.73 C ATOM 832 CE LYS A 52 -17.531 -11.771 5.963 1.00 3.39 C ATOM 833 NZ LYS A 52 -18.108 -13.032 6.500 1.00 4.02 N ATOM 0 H LYS A 52 -17.792 -7.590 7.940 1.00 1.46 H new ATOM 0 HA LYS A 52 -19.594 -8.304 5.895 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -19.677 -8.842 8.882 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -20.667 -9.656 7.688 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -17.645 -9.791 7.972 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -18.796 -11.088 8.226 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -19.458 -10.851 5.771 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -18.114 -9.742 5.584 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -17.316 -11.892 4.901 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -16.582 -11.565 6.458 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -17.561 -13.843 6.146 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -18.070 -13.016 7.539 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -19.097 -13.120 6.191 1.00 4.02 H new ATOM 847 N LYS A 53 -20.675 -6.068 7.995 1.00 1.58 N ATOM 848 CA LYS A 53 -21.752 -5.129 8.184 1.00 1.61 C ATOM 849 C LYS A 53 -21.900 -4.259 6.941 1.00 1.43 C ATOM 850 O LYS A 53 -23.008 -3.994 6.504 1.00 1.45 O ATOM 851 CB LYS A 53 -21.552 -4.282 9.446 1.00 1.70 C ATOM 852 CG LYS A 53 -20.281 -3.453 9.458 1.00 1.61 C ATOM 853 CD LYS A 53 -20.076 -2.804 10.814 1.00 1.81 C ATOM 854 CE LYS A 53 -18.808 -1.972 10.855 1.00 2.29 C ATOM 855 NZ LYS A 53 -18.597 -1.369 12.194 1.00 2.51 N ATOM 0 H LYS A 53 -19.853 -5.911 8.578 1.00 1.58 H new ATOM 0 HA LYS A 53 -22.676 -5.688 8.330 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -22.406 -3.614 9.558 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -21.547 -4.942 10.313 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -19.426 -4.086 9.219 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -20.335 -2.685 8.686 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -20.933 -2.172 11.048 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -20.030 -3.575 11.583 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -17.953 -2.597 10.597 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -18.864 -1.184 10.104 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -17.722 -0.807 12.188 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -19.402 -0.754 12.428 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -18.519 -2.123 12.906 1.00 2.51 H new ATOM 869 N LYS A 54 -20.783 -3.864 6.329 1.00 1.31 N ATOM 870 CA LYS A 54 -20.842 -3.027 5.133 1.00 1.17 C ATOM 871 C LYS A 54 -21.609 -3.719 4.010 1.00 1.19 C ATOM 872 O LYS A 54 -22.428 -3.096 3.344 1.00 1.21 O ATOM 873 CB LYS A 54 -19.450 -2.640 4.633 1.00 1.09 C ATOM 874 CG LYS A 54 -19.030 -1.221 4.999 1.00 1.22 C ATOM 875 CD LYS A 54 -18.437 -1.143 6.398 1.00 1.37 C ATOM 876 CE LYS A 54 -17.830 0.226 6.671 1.00 1.53 C ATOM 877 NZ LYS A 54 -17.362 0.360 8.080 1.00 2.16 N ATOM 0 H LYS A 54 -19.841 -4.106 6.636 1.00 1.31 H new ATOM 0 HA LYS A 54 -21.369 -2.117 5.420 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -18.721 -3.340 5.042 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.422 -2.748 3.549 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -18.299 -0.862 4.275 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -19.894 -0.560 4.934 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -19.212 -1.352 7.135 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -17.672 -1.911 6.513 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -16.992 0.392 5.994 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -18.569 0.999 6.460 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -16.865 1.266 8.196 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -18.180 0.329 8.722 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -16.714 -0.421 8.306 1.00 2.16 H new ATOM 891 N GLU A 55 -21.371 -5.005 3.814 1.00 1.26 N ATOM 892 CA GLU A 55 -22.080 -5.741 2.772 1.00 1.33 C ATOM 893 C GLU A 55 -23.566 -5.840 3.085 1.00 1.46 C ATOM 894 O GLU A 55 -24.382 -6.094 2.202 1.00 1.53 O ATOM 895 CB GLU A 55 -21.476 -7.130 2.542 1.00 1.44 C ATOM 896 CG GLU A 55 -20.890 -7.764 3.785 1.00 1.58 C ATOM 897 CD GLU A 55 -20.674 -9.260 3.630 1.00 1.79 C ATOM 898 OE1 GLU A 55 -19.824 -9.671 2.809 1.00 2.05 O ATOM 899 OE2 GLU A 55 -21.356 -10.035 4.326 1.00 1.96 O ATOM 0 H GLU A 55 -20.703 -5.557 4.352 1.00 1.26 H new ATOM 0 HA GLU A 55 -21.964 -5.178 1.846 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -22.247 -7.788 2.141 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -20.696 -7.054 1.784 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -19.939 -7.285 4.019 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -21.555 -7.582 4.629 1.00 1.58 H new ATOM 906 N GLU A 56 -23.913 -5.673 4.348 1.00 1.51 N ATOM 907 CA GLU A 56 -25.317 -5.623 4.745 1.00 1.64 C ATOM 908 C GLU A 56 -26.012 -4.351 4.231 1.00 1.57 C ATOM 909 O GLU A 56 -26.944 -4.435 3.439 1.00 1.62 O ATOM 910 CB GLU A 56 -25.457 -5.718 6.265 1.00 1.78 C ATOM 911 CG GLU A 56 -24.925 -7.015 6.848 1.00 1.87 C ATOM 912 CD GLU A 56 -25.627 -8.240 6.302 1.00 2.05 C ATOM 913 OE1 GLU A 56 -25.170 -8.790 5.280 1.00 2.40 O ATOM 914 OE2 GLU A 56 -26.631 -8.676 6.905 1.00 2.33 O ATOM 0 H GLU A 56 -23.250 -5.570 5.116 1.00 1.51 H new ATOM 0 HA GLU A 56 -25.809 -6.482 4.289 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -24.929 -4.881 6.722 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -26.509 -5.615 6.531 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -23.858 -7.091 6.638 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -25.036 -6.992 7.932 1.00 1.87 H new ATOM 921 N GLN A 57 -25.563 -3.174 4.673 1.00 1.48 N ATOM 922 CA GLN A 57 -26.256 -1.924 4.321 1.00 1.47 C ATOM 923 C GLN A 57 -25.502 -1.116 3.261 1.00 1.36 C ATOM 924 O GLN A 57 -26.113 -0.511 2.380 1.00 1.40 O ATOM 925 CB GLN A 57 -26.507 -1.047 5.561 1.00 1.55 C ATOM 926 CG GLN A 57 -25.250 -0.444 6.170 1.00 1.59 C ATOM 927 CD GLN A 57 -24.384 -1.469 6.856 1.00 1.75 C ATOM 928 OE1 GLN A 57 -24.888 -2.429 7.428 1.00 2.37 O ATOM 929 NE2 GLN A 57 -23.077 -1.291 6.781 1.00 1.85 N ATOM 0 H GLN A 57 -24.740 -3.056 5.264 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.216 -2.222 3.898 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -27.187 -0.240 5.288 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -27.011 -1.647 6.319 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -24.672 0.048 5.387 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -25.533 0.325 6.888 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -22.700 -0.477 6.295 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -22.445 -1.967 7.209 1.00 1.85 H new ATOM 938 N ASN A 58 -24.177 -1.116 3.342 1.00 1.27 N ATOM 939 CA ASN A 58 -23.342 -0.314 2.446 1.00 1.21 C ATOM 940 C ASN A 58 -23.064 -1.096 1.165 1.00 1.16 C ATOM 941 O ASN A 58 -22.263 -0.692 0.323 1.00 1.13 O ATOM 942 CB ASN A 58 -22.030 0.060 3.147 1.00 1.21 C ATOM 943 CG ASN A 58 -21.354 1.269 2.528 1.00 1.55 C ATOM 944 OD1 ASN A 58 -22.011 2.147 1.970 1.00 2.20 O ATOM 945 ND2 ASN A 58 -20.037 1.330 2.630 1.00 1.95 N ATOM 0 H ASN A 58 -23.652 -1.665 4.022 1.00 1.27 H new ATOM 0 HA ASN A 58 -23.868 0.605 2.187 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -22.231 0.261 4.199 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -21.349 -0.790 3.109 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -19.531 2.125 2.239 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -19.527 0.582 3.100 1.00 1.95 H new ATOM 952 N ARG A 59 -23.726 -2.243 1.059 1.00 1.20 N ATOM 953 CA ARG A 59 -23.663 -3.101 -0.117 1.00 1.22 C ATOM 954 C ARG A 59 -23.908 -2.319 -1.408 1.00 1.19 C ATOM 955 O ARG A 59 -24.739 -1.412 -1.456 1.00 1.24 O ATOM 956 CB ARG A 59 -24.707 -4.213 -0.009 1.00 1.36 C ATOM 957 CG ARG A 59 -26.118 -3.689 0.196 1.00 1.47 C ATOM 958 CD ARG A 59 -27.138 -4.805 0.330 1.00 1.69 C ATOM 959 NE ARG A 59 -28.459 -4.274 0.666 1.00 2.08 N ATOM 960 CZ ARG A 59 -29.542 -5.019 0.883 1.00 2.67 C ATOM 961 NH1 ARG A 59 -29.486 -6.341 0.780 1.00 2.95 N ATOM 962 NH2 ARG A 59 -30.688 -4.435 1.210 1.00 3.45 N ATOM 0 H ARG A 59 -24.329 -2.607 1.797 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.659 -3.524 -0.155 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -24.679 -4.819 -0.915 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -24.445 -4.869 0.821 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -26.145 -3.067 1.091 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -26.391 -3.051 -0.644 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -27.194 -5.364 -0.604 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -26.817 -5.505 1.102 1.00 1.69 H new ATOM 0 HE ARG A 59 -28.558 -3.261 0.739 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -28.608 -6.797 0.533 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -30.321 -6.901 0.948 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -30.737 -3.420 1.294 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -31.520 -5.001 1.377 1.00 3.45 H new ATOM 976 N GLY A 60 -23.176 -2.683 -2.448 1.00 1.15 N ATOM 977 CA GLY A 60 -23.346 -2.059 -3.751 1.00 1.15 C ATOM 978 C GLY A 60 -22.626 -0.724 -3.884 1.00 1.07 C ATOM 979 O GLY A 60 -22.552 -0.161 -4.974 1.00 1.09 O ATOM 0 H GLY A 60 -22.458 -3.407 -2.416 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.980 -2.738 -4.521 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -24.409 -1.909 -3.937 1.00 1.15 H new ATOM 983 N LYS A 61 -22.088 -0.223 -2.781 1.00 1.00 N ATOM 984 CA LYS A 61 -21.436 1.082 -2.765 1.00 0.95 C ATOM 985 C LYS A 61 -19.961 0.969 -3.154 1.00 0.80 C ATOM 986 O LYS A 61 -19.448 -0.138 -3.260 1.00 0.77 O ATOM 987 CB LYS A 61 -21.597 1.751 -1.394 1.00 1.04 C ATOM 988 CG LYS A 61 -22.890 2.546 -1.246 1.00 1.55 C ATOM 989 CD LYS A 61 -24.124 1.673 -1.416 1.00 2.06 C ATOM 990 CE LYS A 61 -25.403 2.496 -1.440 1.00 2.55 C ATOM 991 NZ LYS A 61 -25.486 3.365 -2.646 1.00 3.16 N ATOM 0 H LYS A 61 -22.090 -0.702 -1.881 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.924 1.712 -3.509 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -21.562 0.985 -0.620 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -20.751 2.416 -1.223 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -22.914 3.018 -0.264 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -22.909 3.347 -1.985 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -24.041 1.104 -2.342 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -24.173 0.951 -0.601 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -26.264 1.828 -1.415 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -25.453 3.114 -0.544 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -26.457 3.724 -2.749 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -24.830 4.165 -2.543 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -25.229 2.814 -3.490 1.00 3.16 H new ATOM 1005 N PRO A 62 -19.294 2.122 -3.434 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.865 2.237 -3.793 1.00 0.66 C ATOM 1007 C PRO A 62 -16.932 1.143 -3.252 1.00 0.58 C ATOM 1008 O PRO A 62 -15.963 0.769 -3.911 1.00 0.51 O ATOM 1009 CB PRO A 62 -17.516 3.574 -3.159 1.00 0.70 C ATOM 1010 CG PRO A 62 -18.733 4.411 -3.378 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.909 3.462 -3.464 1.00 0.85 C ATOM 0 HA PRO A 62 -17.727 2.142 -4.870 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -17.293 3.465 -2.098 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -16.637 4.019 -3.626 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -18.867 5.119 -2.560 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -18.640 4.995 -4.294 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -20.597 3.603 -2.630 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -20.481 3.618 -4.379 1.00 0.85 H new ATOM 1019 N ASN A 63 -17.240 0.613 -2.085 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.426 -0.427 -1.467 1.00 0.63 C ATOM 1021 C ASN A 63 -16.468 -1.672 -2.315 1.00 0.56 C ATOM 1022 O ASN A 63 -15.446 -2.315 -2.542 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.873 -0.753 -0.024 1.00 0.79 C ATOM 1024 CG ASN A 63 -18.305 -0.371 0.345 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -18.727 0.839 0.023 1.00 1.93 O flip ATOM 1026 ND2 ASN A 63 -18.997 -1.133 1.009 1.00 1.06 N flip ATOM 0 H ASN A 63 -18.056 0.886 -1.537 1.00 0.64 H new ATOM 0 HA ASN A 63 -15.405 -0.049 -1.405 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -16.753 -1.824 0.137 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -16.196 -0.249 0.666 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -18.650 -2.062 1.245 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -19.921 -0.838 1.326 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.648 -1.988 -2.797 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.832 -3.112 -3.675 1.00 0.62 C ATOM 1035 C TRP A 64 -17.700 -2.668 -5.121 1.00 0.60 C ATOM 1036 O TRP A 64 -17.519 -3.488 -6.011 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.179 -3.765 -3.425 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.540 -3.746 -1.973 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -20.485 -2.974 -1.385 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -18.921 -4.490 -0.920 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -20.519 -3.204 -0.038 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.562 -4.131 0.277 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -17.897 -5.432 -0.874 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -19.206 -4.676 1.504 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.542 -5.973 0.343 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.196 -5.595 1.520 1.00 1.18 C ATOM 0 H TRP A 64 -18.503 -1.472 -2.590 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.058 -3.852 -3.471 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.947 -3.246 -3.998 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.156 -4.795 -3.781 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -21.122 -2.275 -1.907 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -21.154 -2.758 0.624 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.389 -5.734 -1.778 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -19.710 -4.383 2.413 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -16.746 -6.701 0.388 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -17.897 -6.038 2.459 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.803 -1.356 -5.342 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.553 -0.775 -6.657 1.00 0.55 C ATOM 1059 C GLU A 65 -16.151 -1.136 -7.121 1.00 0.48 C ATOM 1060 O GLU A 65 -15.943 -1.566 -8.250 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.704 0.753 -6.629 1.00 0.59 C ATOM 1062 CG GLU A 65 -16.652 1.484 -7.464 1.00 0.69 C ATOM 1063 CD GLU A 65 -16.810 2.987 -7.468 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -16.632 3.610 -6.403 1.00 1.28 O ATOM 1065 OE2 GLU A 65 -17.082 3.551 -8.547 1.00 1.59 O ATOM 0 H GLU A 65 -18.058 -0.677 -4.625 1.00 0.57 H new ATOM 0 HA GLU A 65 -18.290 -1.181 -7.350 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.696 1.019 -6.994 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.641 1.098 -5.597 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -15.662 1.234 -7.083 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -16.700 1.121 -8.491 1.00 0.69 H new ATOM 1072 N HIS A 66 -15.187 -0.919 -6.248 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.808 -1.241 -6.558 1.00 0.38 C ATOM 1074 C HIS A 66 -13.392 -2.577 -5.947 1.00 0.36 C ATOM 1075 O HIS A 66 -12.248 -2.991 -6.090 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.857 -0.105 -6.145 1.00 0.38 C ATOM 1077 CG HIS A 66 -13.002 0.372 -4.735 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -13.220 1.694 -4.401 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.906 -0.295 -3.571 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -13.237 1.816 -3.087 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -13.051 0.624 -2.558 1.00 0.47 N ATOM 0 H HIS A 66 -15.333 -0.522 -5.320 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.734 -1.346 -7.640 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.831 -0.441 -6.293 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -13.015 0.740 -6.815 1.00 0.38 H new ATOM 0 HD1 HIS A 66 -13.348 2.457 -5.066 1.00 0.47 H new ATOM 0 HD2 HIS A 66 -12.745 -1.356 -3.453 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.379 2.736 -2.539 1.00 0.52 H new ATOM 1090 N LEU A 67 -14.321 -3.241 -5.256 1.00 0.38 N ATOM 1091 CA LEU A 67 -14.046 -4.548 -4.637 1.00 0.40 C ATOM 1092 C LEU A 67 -13.637 -5.571 -5.679 1.00 0.41 C ATOM 1093 O LEU A 67 -12.891 -6.512 -5.409 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.277 -5.082 -3.905 1.00 0.48 C ATOM 1095 CG LEU A 67 -15.137 -6.503 -3.359 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.415 -6.494 -2.022 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -16.497 -7.179 -3.251 1.00 1.59 C ATOM 0 H LEU A 67 -15.271 -2.899 -5.109 1.00 0.38 H new ATOM 0 HA LEU A 67 -13.232 -4.395 -3.929 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.508 -4.412 -3.077 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -16.128 -5.053 -4.586 1.00 0.48 H new ATOM 0 HG LEU A 67 -14.536 -7.083 -4.059 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -14.325 -7.515 -1.650 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -13.421 -6.065 -2.148 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -14.980 -5.896 -1.307 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -16.371 -8.189 -2.860 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -17.136 -6.606 -2.578 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -16.959 -7.226 -4.237 1.00 1.59 H new ATOM 1109 N ASN A 68 -14.133 -5.353 -6.867 1.00 0.43 N ATOM 1110 CA ASN A 68 -13.971 -6.287 -7.970 1.00 0.47 C ATOM 1111 C ASN A 68 -12.672 -6.006 -8.710 1.00 0.44 C ATOM 1112 O ASN A 68 -12.322 -6.689 -9.674 1.00 0.52 O ATOM 1113 CB ASN A 68 -15.174 -6.176 -8.905 1.00 0.57 C ATOM 1114 CG ASN A 68 -15.544 -4.734 -9.160 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -15.090 -4.129 -10.133 1.00 1.86 O ATOM 1116 ND2 ASN A 68 -16.353 -4.158 -8.271 1.00 0.58 N ATOM 0 H ASN A 68 -14.667 -4.518 -7.108 1.00 0.43 H new ATOM 0 HA ASN A 68 -13.920 -7.305 -7.585 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -14.948 -6.668 -9.851 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -16.025 -6.700 -8.469 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -16.619 -3.180 -8.382 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -16.706 -4.696 -7.480 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.963 -4.993 -8.239 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.632 -4.685 -8.725 1.00 0.37 C ATOM 1125 C GLU A 69 -9.609 -5.361 -7.819 1.00 0.32 C ATOM 1126 O GLU A 69 -9.969 -5.903 -6.774 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.405 -3.171 -8.729 1.00 0.38 C ATOM 1128 CG GLU A 69 -11.405 -2.404 -9.580 1.00 0.45 C ATOM 1129 CD GLU A 69 -11.117 -0.917 -9.619 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -10.152 -0.505 -10.294 1.00 1.39 O ATOM 1131 OE2 GLU A 69 -11.854 -0.151 -8.967 1.00 1.85 O ATOM 0 H GLU A 69 -12.296 -4.363 -7.509 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.523 -5.052 -9.746 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.456 -2.802 -7.704 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.398 -2.965 -9.093 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -11.391 -2.800 -10.596 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -12.409 -2.566 -9.188 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.344 -5.337 -8.201 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.310 -5.896 -7.344 1.00 0.30 C ATOM 1140 C ASP A 70 -6.762 -4.824 -6.419 1.00 0.22 C ATOM 1141 O ASP A 70 -6.678 -3.648 -6.798 1.00 0.24 O ATOM 1142 CB ASP A 70 -6.182 -6.559 -8.130 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.423 -7.537 -7.255 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -6.048 -8.440 -6.667 1.00 1.21 O ATOM 1145 OD2 ASP A 70 -4.181 -7.402 -7.169 1.00 1.10 O ATOM 0 H ASP A 70 -8.011 -4.945 -9.082 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.777 -6.682 -6.751 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.592 -7.080 -8.995 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.500 -5.798 -8.510 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.429 -5.239 -5.203 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.053 -4.328 -4.126 1.00 0.17 C ATOM 1152 C LEU A 71 -4.939 -3.370 -4.542 1.00 0.17 C ATOM 1153 O LEU A 71 -3.852 -3.773 -4.932 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.613 -5.132 -2.902 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.251 -4.306 -1.668 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.349 -3.304 -1.357 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.017 -5.224 -0.482 1.00 0.79 C ATOM 0 H LEU A 71 -6.412 -6.223 -4.934 1.00 0.19 H new ATOM 0 HA LEU A 71 -6.929 -3.726 -3.884 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.414 -5.821 -2.634 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.750 -5.738 -3.178 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.334 -3.753 -1.871 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.074 -2.725 -0.475 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.480 -2.633 -2.206 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.282 -3.834 -1.166 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -4.759 -4.628 0.394 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -5.923 -5.795 -0.279 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.200 -5.909 -0.708 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.250 -2.096 -4.515 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.264 -1.065 -4.742 1.00 0.17 C ATOM 1171 C HIS A 72 -4.622 0.172 -3.940 1.00 0.17 C ATOM 1172 O HIS A 72 -5.752 0.308 -3.477 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.152 -0.736 -6.229 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.408 -0.192 -6.850 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.440 -0.997 -7.273 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -5.782 1.077 -7.149 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.389 -0.252 -7.805 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.017 1.011 -7.746 1.00 0.29 N ATOM 0 H HIS A 72 -6.191 -1.745 -4.336 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.292 -1.430 -4.411 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.351 -0.010 -6.367 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -3.859 -1.639 -6.766 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.467 -2.013 -7.188 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.213 1.974 -6.954 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.317 -0.616 -8.220 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.687 1.088 -3.810 1.00 0.19 N ATOM 1188 CA VAL A 73 -3.958 2.321 -3.095 1.00 0.19 C ATOM 1189 C VAL A 73 -4.119 3.441 -4.099 1.00 0.20 C ATOM 1190 O VAL A 73 -3.294 3.609 -4.995 1.00 0.28 O ATOM 1191 CB VAL A 73 -2.864 2.672 -2.061 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -2.903 1.694 -0.899 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.482 2.685 -2.694 1.00 0.29 C ATOM 0 H VAL A 73 -2.742 1.007 -4.185 1.00 0.19 H new ATOM 0 HA VAL A 73 -4.878 2.184 -2.526 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.068 3.676 -1.688 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.127 1.954 -0.179 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -3.878 1.743 -0.415 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.732 0.683 -1.268 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.738 2.935 -1.938 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.262 1.701 -3.108 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.454 3.428 -3.491 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.208 4.167 -3.989 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.518 5.187 -4.962 1.00 0.18 C ATOM 1205 C LEU A 74 -5.765 6.513 -4.282 1.00 0.18 C ATOM 1206 O LEU A 74 -6.711 6.676 -3.512 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.719 4.738 -5.813 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.140 5.672 -6.958 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -7.958 4.906 -7.975 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -7.957 6.847 -6.445 1.00 0.80 C ATOM 0 H LEU A 74 -5.891 4.070 -3.238 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.667 5.328 -5.629 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.489 3.761 -6.238 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.574 4.604 -5.151 1.00 0.22 H new ATOM 0 HG LEU A 74 -6.232 6.057 -7.422 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -8.253 5.575 -8.783 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -7.362 4.088 -8.380 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -8.850 4.502 -7.495 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -8.238 7.487 -7.281 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.856 6.477 -5.953 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -7.363 7.420 -5.733 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.882 7.446 -4.562 1.00 0.19 N ATOM 1223 CA ILE A 75 -5.039 8.798 -4.095 1.00 0.18 C ATOM 1224 C ILE A 75 -5.941 9.569 -5.046 1.00 0.18 C ATOM 1225 O ILE A 75 -5.585 9.827 -6.198 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.676 9.514 -3.942 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.700 9.052 -5.026 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -3.096 9.282 -2.554 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.404 9.829 -5.048 1.00 0.30 C ATOM 0 H ILE A 75 -4.041 7.286 -5.117 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.499 8.763 -3.108 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.837 10.585 -4.064 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.477 7.996 -4.876 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -3.183 9.141 -5.999 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -2.138 9.795 -2.470 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.783 9.671 -1.803 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.951 8.214 -2.394 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.763 9.445 -5.842 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.615 10.883 -5.229 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.898 9.720 -4.089 1.00 0.30 H new ATOM 1241 N THR A 76 -7.124 9.902 -4.560 1.00 0.17 N ATOM 1242 CA THR A 76 -8.088 10.661 -5.334 1.00 0.20 C ATOM 1243 C THR A 76 -8.106 12.113 -4.885 1.00 0.19 C ATOM 1244 O THR A 76 -8.635 12.438 -3.819 1.00 0.22 O ATOM 1245 CB THR A 76 -9.498 10.090 -5.152 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.445 8.834 -4.461 1.00 0.25 O ATOM 1247 CG2 THR A 76 -10.161 9.887 -6.488 1.00 0.31 C ATOM 0 H THR A 76 -7.441 9.655 -3.623 1.00 0.17 H new ATOM 0 HA THR A 76 -7.792 10.595 -6.381 1.00 0.20 H new ATOM 0 HB THR A 76 -10.076 10.804 -4.565 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.637 8.975 -3.510 1.00 0.25 H new ATOM 0 HG21 THR A 76 -11.162 9.481 -6.340 1.00 0.31 H new ATOM 0 HG22 THR A 76 -10.231 10.842 -7.009 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.572 9.191 -7.085 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.536 12.984 -5.692 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.509 14.393 -5.377 1.00 0.25 C ATOM 1257 C VAL A 77 -8.283 15.171 -6.433 1.00 0.33 C ATOM 1258 O VAL A 77 -8.011 15.068 -7.634 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.052 14.911 -5.274 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.287 14.696 -6.573 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.019 16.375 -4.873 1.00 0.86 C ATOM 0 H VAL A 77 -7.085 12.738 -6.573 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.983 14.543 -4.407 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.558 14.330 -4.495 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.270 15.072 -6.463 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.258 13.632 -6.806 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -5.785 15.231 -7.382 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -4.984 16.711 -4.808 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.548 16.969 -5.619 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.501 16.498 -3.903 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.287 15.914 -5.999 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.076 16.685 -6.934 1.00 0.50 C ATOM 1273 C GLU A 78 -9.436 18.049 -7.138 1.00 0.63 C ATOM 1274 O GLU A 78 -9.759 18.997 -6.420 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.502 16.859 -6.415 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.236 15.551 -6.193 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.662 15.764 -5.734 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -13.873 16.024 -4.532 1.00 1.63 O ATOM 1279 OE2 GLU A 78 -14.581 15.669 -6.574 1.00 1.55 O ATOM 0 H GLU A 78 -9.569 15.997 -5.022 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.113 16.152 -7.884 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.472 17.412 -5.476 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.065 17.465 -7.124 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -12.237 14.976 -7.119 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.702 14.959 -5.450 1.00 0.62 H new ATOM 1286 N ASP A 79 -8.542 18.129 -8.124 1.00 0.66 N ATOM 1287 CA ASP A 79 -7.835 19.363 -8.475 1.00 0.84 C ATOM 1288 C ASP A 79 -6.655 19.015 -9.377 1.00 0.75 C ATOM 1289 O ASP A 79 -6.169 17.884 -9.352 1.00 1.08 O ATOM 1290 CB ASP A 79 -7.309 20.103 -7.237 1.00 1.20 C ATOM 1291 CG ASP A 79 -7.122 21.585 -7.493 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -6.430 21.944 -8.464 1.00 1.81 O ATOM 1293 OD2 ASP A 79 -7.695 22.401 -6.739 1.00 2.05 O ATOM 0 H ASP A 79 -8.285 17.333 -8.707 1.00 0.66 H new ATOM 0 HA ASP A 79 -8.542 20.020 -8.982 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -8.005 19.964 -6.410 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -6.358 19.666 -6.931 1.00 1.20 H new ATOM 1298 N ALA A 80 -6.212 19.968 -10.178 1.00 0.91 N ATOM 1299 CA ALA A 80 -5.080 19.758 -11.068 1.00 1.17 C ATOM 1300 C ALA A 80 -3.797 20.328 -10.467 1.00 1.09 C ATOM 1301 O ALA A 80 -2.714 20.163 -11.029 1.00 1.60 O ATOM 1302 CB ALA A 80 -5.358 20.383 -12.425 1.00 1.85 C ATOM 0 H ALA A 80 -6.621 20.901 -10.231 1.00 0.91 H new ATOM 0 HA ALA A 80 -4.941 18.685 -11.198 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -4.504 20.220 -13.083 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -6.245 19.925 -12.862 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -5.524 21.454 -12.305 1.00 1.85 H new ATOM 1308 N GLN A 81 -3.931 21.010 -9.331 1.00 1.04 N ATOM 1309 CA GLN A 81 -2.785 21.600 -8.639 1.00 1.65 C ATOM 1310 C GLN A 81 -1.740 20.543 -8.295 1.00 0.98 C ATOM 1311 O GLN A 81 -2.030 19.566 -7.599 1.00 0.75 O ATOM 1312 CB GLN A 81 -3.234 22.317 -7.363 1.00 2.75 C ATOM 1313 CG GLN A 81 -4.039 23.579 -7.620 1.00 3.72 C ATOM 1314 CD GLN A 81 -3.217 24.671 -8.267 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -3.117 24.748 -9.492 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -2.641 25.537 -7.450 1.00 5.39 N ATOM 0 H GLN A 81 -4.826 21.169 -8.868 1.00 1.04 H new ATOM 0 HA GLN A 81 -2.333 22.325 -9.316 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -3.833 21.631 -6.763 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -2.354 22.572 -6.772 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -4.888 23.340 -8.261 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -4.445 23.945 -6.677 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -2.750 25.436 -6.441 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -2.088 26.306 -7.829 1.00 5.39 H new ATOM 1325 N ASN A 82 -0.523 20.760 -8.770 1.00 0.84 N ATOM 1326 CA ASN A 82 0.569 19.824 -8.540 1.00 0.71 C ATOM 1327 C ASN A 82 1.005 19.857 -7.080 1.00 0.59 C ATOM 1328 O ASN A 82 1.470 18.858 -6.539 1.00 0.56 O ATOM 1329 CB ASN A 82 1.742 20.136 -9.475 1.00 1.13 C ATOM 1330 CG ASN A 82 2.939 19.234 -9.242 1.00 1.74 C ATOM 1331 OD1 ASN A 82 3.887 19.607 -8.547 1.00 2.48 O ATOM 1332 ND2 ASN A 82 2.895 18.037 -9.805 1.00 2.28 N ATOM 0 H ASN A 82 -0.265 21.580 -9.320 1.00 0.84 H new ATOM 0 HA ASN A 82 0.218 18.816 -8.760 1.00 0.71 H new ATOM 0 HB2 ASN A 82 1.413 20.034 -10.509 1.00 1.13 H new ATOM 0 HB3 ASN A 82 2.044 21.174 -9.337 1.00 1.13 H new ATOM 0 HD21 ASN A 82 3.665 17.382 -9.671 1.00 2.28 H new ATOM 0 HD22 ASN A 82 2.091 17.770 -10.373 1.00 2.28 H new ATOM 1339 N ARG A 83 0.830 21.005 -6.433 1.00 0.65 N ATOM 1340 CA ARG A 83 1.100 21.121 -5.003 1.00 0.63 C ATOM 1341 C ARG A 83 0.182 20.187 -4.216 1.00 0.46 C ATOM 1342 O ARG A 83 0.592 19.590 -3.215 1.00 0.43 O ATOM 1343 CB ARG A 83 0.922 22.567 -4.531 1.00 0.81 C ATOM 1344 CG ARG A 83 -0.418 23.173 -4.908 1.00 1.66 C ATOM 1345 CD ARG A 83 -0.549 24.599 -4.407 1.00 2.10 C ATOM 1346 NE ARG A 83 -0.651 24.672 -2.951 1.00 2.64 N ATOM 1347 CZ ARG A 83 -0.933 25.793 -2.283 1.00 3.34 C ATOM 1348 NH1 ARG A 83 -1.041 26.947 -2.935 1.00 3.68 N ATOM 1349 NH2 ARG A 83 -1.077 25.761 -0.963 1.00 4.17 N ATOM 0 H ARG A 83 0.504 21.865 -6.873 1.00 0.65 H new ATOM 0 HA ARG A 83 2.135 20.830 -4.824 1.00 0.63 H new ATOM 0 HB2 ARG A 83 1.034 22.602 -3.447 1.00 0.81 H new ATOM 0 HB3 ARG A 83 1.719 23.178 -4.954 1.00 0.81 H new ATOM 0 HG2 ARG A 83 -0.533 23.156 -5.992 1.00 1.66 H new ATOM 0 HG3 ARG A 83 -1.222 22.566 -4.492 1.00 1.66 H new ATOM 0 HD2 ARG A 83 0.314 25.178 -4.737 1.00 2.10 H new ATOM 0 HD3 ARG A 83 -1.431 25.058 -4.854 1.00 2.10 H new ATOM 0 HE ARG A 83 -0.498 23.818 -2.415 1.00 2.64 H new ATOM 0 HH11 ARG A 83 -0.908 26.976 -3.946 1.00 3.68 H new ATOM 0 HH12 ARG A 83 -1.256 27.803 -2.424 1.00 3.68 H new ATOM 0 HH21 ARG A 83 -0.972 24.880 -0.460 1.00 4.17 H new ATOM 0 HH22 ARG A 83 -1.292 26.617 -0.453 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.055 20.045 -4.693 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.003 19.131 -4.086 1.00 0.38 C ATOM 1365 C ALA A 84 -1.464 17.722 -4.163 1.00 0.29 C ATOM 1366 O ALA A 84 -1.162 17.118 -3.136 1.00 0.35 O ATOM 1367 CB ALA A 84 -3.363 19.210 -4.770 1.00 0.49 C ATOM 0 H ALA A 84 -1.417 20.555 -5.499 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.138 19.416 -3.043 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.052 18.513 -4.292 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -3.755 20.223 -4.684 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.256 18.950 -5.823 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.280 17.235 -5.389 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.870 15.854 -5.617 1.00 0.26 C ATOM 1375 C GLU A 85 0.452 15.559 -4.914 1.00 0.28 C ATOM 1376 O GLU A 85 0.674 14.445 -4.447 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.774 15.545 -7.117 1.00 0.34 C ATOM 1378 CG GLU A 85 0.342 16.284 -7.834 1.00 0.49 C ATOM 1379 CD GLU A 85 0.388 15.989 -9.321 1.00 0.79 C ATOM 1380 OE1 GLU A 85 0.790 14.871 -9.696 1.00 1.31 O ATOM 1381 OE2 GLU A 85 -0.002 16.866 -10.122 1.00 1.24 O ATOM 0 H GLU A 85 -1.409 17.780 -6.241 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.634 15.203 -5.192 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.627 14.473 -7.247 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.723 15.796 -7.590 1.00 0.34 H new ATOM 0 HG2 GLU A 85 0.214 17.356 -7.686 1.00 0.49 H new ATOM 0 HG3 GLU A 85 1.297 16.012 -7.385 1.00 0.49 H new ATOM 1388 N LEU A 86 1.311 16.570 -4.815 1.00 0.30 N ATOM 1389 CA LEU A 86 2.584 16.438 -4.119 1.00 0.36 C ATOM 1390 C LEU A 86 2.347 16.081 -2.648 1.00 0.28 C ATOM 1391 O LEU A 86 3.069 15.263 -2.073 1.00 0.28 O ATOM 1392 CB LEU A 86 3.378 17.753 -4.242 1.00 0.47 C ATOM 1393 CG LEU A 86 4.905 17.668 -4.062 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.289 17.331 -2.631 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.503 16.652 -5.022 1.00 1.47 C ATOM 0 H LEU A 86 1.145 17.495 -5.212 1.00 0.30 H new ATOM 0 HA LEU A 86 3.164 15.635 -4.574 1.00 0.36 H new ATOM 0 HB2 LEU A 86 3.176 18.180 -5.224 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.989 18.454 -3.504 1.00 0.47 H new ATOM 0 HG LEU A 86 5.313 18.653 -4.290 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.375 17.281 -2.548 1.00 1.45 H new ATOM 0 HD12 LEU A 86 4.909 18.102 -1.961 1.00 1.45 H new ATOM 0 HD13 LEU A 86 4.859 16.368 -2.356 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.583 16.607 -4.879 1.00 1.47 H new ATOM 0 HD22 LEU A 86 5.070 15.670 -4.829 1.00 1.47 H new ATOM 0 HD23 LEU A 86 5.285 16.949 -6.048 1.00 1.47 H new ATOM 1407 N LYS A 87 1.319 16.668 -2.045 1.00 0.24 N ATOM 1408 CA LYS A 87 1.038 16.425 -0.635 1.00 0.22 C ATOM 1409 C LYS A 87 0.519 14.996 -0.420 1.00 0.18 C ATOM 1410 O LYS A 87 0.927 14.301 0.513 1.00 0.20 O ATOM 1411 CB LYS A 87 0.033 17.449 -0.095 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.056 17.452 1.426 1.00 0.29 C ATOM 1413 CD LYS A 87 -1.100 18.434 1.946 1.00 0.75 C ATOM 1414 CE LYS A 87 -0.724 19.879 1.663 1.00 1.40 C ATOM 1415 NZ LYS A 87 -1.676 20.831 2.299 1.00 1.74 N ATOM 0 H LYS A 87 0.672 17.309 -2.505 1.00 0.24 H new ATOM 0 HA LYS A 87 1.971 16.537 -0.082 1.00 0.22 H new ATOM 0 HB2 LYS A 87 0.316 18.444 -0.439 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -0.952 17.237 -0.511 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.300 16.448 1.775 1.00 0.29 H new ATOM 0 HG3 LYS A 87 0.918 17.707 1.844 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -2.063 18.215 1.485 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -1.222 18.296 3.020 1.00 0.75 H new ATOM 0 HE2 LYS A 87 0.284 20.072 2.031 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -0.707 20.046 0.586 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 -1.387 21.807 2.084 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 -2.633 20.664 1.929 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 -1.673 20.688 3.329 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.383 14.556 -1.283 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.921 13.201 -1.182 1.00 0.21 C ATOM 1431 C LEU A 88 0.108 12.147 -1.565 1.00 0.21 C ATOM 1432 O LEU A 88 0.130 11.067 -0.979 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.188 13.038 -2.015 1.00 0.30 C ATOM 1434 CG LEU A 88 -2.241 13.849 -3.305 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -2.792 13.016 -4.438 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.111 15.074 -3.108 1.00 1.33 C ATOM 0 H LEU A 88 -0.757 15.108 -2.055 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.179 13.047 -0.134 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.303 11.983 -2.266 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -3.044 13.314 -1.399 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.227 14.158 -3.558 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -2.821 13.614 -5.349 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -2.153 12.147 -4.595 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -3.800 12.685 -4.189 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.145 15.649 -4.033 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -4.120 14.764 -2.837 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -2.695 15.692 -2.312 1.00 1.33 H new ATOM 1448 N LYS A 89 0.968 12.453 -2.529 1.00 0.26 N ATOM 1449 CA LYS A 89 1.956 11.480 -2.984 1.00 0.31 C ATOM 1450 C LYS A 89 2.997 11.197 -1.897 1.00 0.29 C ATOM 1451 O LYS A 89 3.464 10.073 -1.771 1.00 0.30 O ATOM 1452 CB LYS A 89 2.611 11.908 -4.312 1.00 0.41 C ATOM 1453 CG LYS A 89 3.486 13.149 -4.241 1.00 0.47 C ATOM 1454 CD LYS A 89 4.914 12.821 -3.855 1.00 0.90 C ATOM 1455 CE LYS A 89 5.620 12.019 -4.940 1.00 1.05 C ATOM 1456 NZ LYS A 89 5.880 12.830 -6.161 1.00 2.07 N ATOM 0 H LYS A 89 1.003 13.354 -3.006 1.00 0.26 H new ATOM 0 HA LYS A 89 1.430 10.546 -3.181 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.215 11.080 -4.682 1.00 0.41 H new ATOM 0 HB3 LYS A 89 1.824 12.081 -5.046 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.479 13.652 -5.208 1.00 0.47 H new ATOM 0 HG3 LYS A 89 3.066 13.846 -3.516 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.462 13.745 -3.670 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.919 12.256 -2.923 1.00 0.90 H new ATOM 0 HE2 LYS A 89 6.564 11.638 -4.551 1.00 1.05 H new ATOM 0 HE3 LYS A 89 5.012 11.154 -5.204 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 6.492 12.295 -6.809 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 4.979 13.044 -6.634 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 6.351 13.718 -5.894 1.00 2.07 H new ATOM 1470 N ARG A 90 3.354 12.208 -1.113 1.00 0.27 N ATOM 1471 CA ARG A 90 4.299 12.013 -0.014 1.00 0.30 C ATOM 1472 C ARG A 90 3.658 11.195 1.106 1.00 0.25 C ATOM 1473 O ARG A 90 4.311 10.377 1.761 1.00 0.28 O ATOM 1474 CB ARG A 90 4.825 13.347 0.528 1.00 0.36 C ATOM 1475 CG ARG A 90 3.738 14.312 0.953 1.00 0.35 C ATOM 1476 CD ARG A 90 4.301 15.550 1.626 1.00 0.75 C ATOM 1477 NE ARG A 90 4.707 15.294 3.006 1.00 1.44 N ATOM 1478 CZ ARG A 90 5.931 15.516 3.481 1.00 1.98 C ATOM 1479 NH1 ARG A 90 6.915 15.893 2.668 1.00 2.10 N ATOM 1480 NH2 ARG A 90 6.179 15.336 4.769 1.00 2.93 N ATOM 0 H ARG A 90 3.009 13.163 -1.214 1.00 0.27 H new ATOM 0 HA ARG A 90 5.151 11.461 -0.409 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.475 13.150 1.381 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.439 13.822 -0.238 1.00 0.36 H new ATOM 0 HG2 ARG A 90 3.156 14.608 0.080 1.00 0.35 H new ATOM 0 HG3 ARG A 90 3.054 13.808 1.636 1.00 0.35 H new ATOM 0 HD2 ARG A 90 5.158 15.911 1.058 1.00 0.75 H new ATOM 0 HD3 ARG A 90 3.552 16.342 1.611 1.00 0.75 H new ATOM 0 HE ARG A 90 4.007 14.921 3.647 1.00 1.44 H new ATOM 0 HH11 ARG A 90 6.735 16.014 1.671 1.00 2.10 H new ATOM 0 HH12 ARG A 90 7.849 16.061 3.042 1.00 2.10 H new ATOM 0 HH21 ARG A 90 5.434 15.028 5.394 1.00 2.93 H new ATOM 0 HH22 ARG A 90 7.115 15.505 5.137 1.00 2.93 H new ATOM 1494 N ALA A 91 2.381 11.422 1.342 1.00 0.22 N ATOM 1495 CA ALA A 91 1.666 10.632 2.328 1.00 0.23 C ATOM 1496 C ALA A 91 1.457 9.202 1.845 1.00 0.21 C ATOM 1497 O ALA A 91 1.633 8.238 2.595 1.00 0.24 O ATOM 1498 CB ALA A 91 0.338 11.284 2.670 1.00 0.26 C ATOM 0 H ALA A 91 1.823 12.135 0.873 1.00 0.22 H new ATOM 0 HA ALA A 91 2.274 10.591 3.231 1.00 0.23 H new ATOM 0 HB1 ALA A 91 -0.185 10.678 3.410 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.515 12.280 3.076 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.271 11.362 1.770 1.00 0.26 H new ATOM 1504 N VAL A 92 1.105 9.072 0.581 1.00 0.18 N ATOM 1505 CA VAL A 92 0.788 7.781 0.007 1.00 0.19 C ATOM 1506 C VAL A 92 2.045 6.932 -0.142 1.00 0.22 C ATOM 1507 O VAL A 92 1.990 5.712 -0.078 1.00 0.24 O ATOM 1508 CB VAL A 92 0.106 7.944 -1.364 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.132 8.285 -2.429 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.662 6.686 -1.731 1.00 0.26 C ATOM 0 H VAL A 92 1.031 9.852 -0.072 1.00 0.18 H new ATOM 0 HA VAL A 92 0.100 7.276 0.685 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.606 8.767 -1.302 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.634 8.397 -3.392 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.631 9.218 -2.168 1.00 0.25 H new ATOM 0 HG13 VAL A 92 1.870 7.485 -2.493 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -1.137 6.820 -2.703 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.025 5.841 -1.776 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.426 6.493 -0.977 1.00 0.26 H new ATOM 1520 N GLU A 93 3.171 7.584 -0.387 1.00 0.25 N ATOM 1521 CA GLU A 93 4.443 6.901 -0.501 1.00 0.31 C ATOM 1522 C GLU A 93 4.901 6.342 0.833 1.00 0.31 C ATOM 1523 O GLU A 93 5.635 5.363 0.904 1.00 0.33 O ATOM 1524 CB GLU A 93 5.466 7.847 -1.036 1.00 0.39 C ATOM 1525 CG GLU A 93 5.823 8.919 -0.079 1.00 0.71 C ATOM 1526 CD GLU A 93 6.901 9.843 -0.605 1.00 1.14 C ATOM 1527 OE1 GLU A 93 6.645 10.568 -1.590 1.00 1.61 O ATOM 1528 OE2 GLU A 93 8.007 9.855 -0.034 1.00 1.63 O ATOM 0 H GLU A 93 3.226 8.595 -0.511 1.00 0.25 H new ATOM 0 HA GLU A 93 4.319 6.061 -1.184 1.00 0.31 H new ATOM 0 HB2 GLU A 93 6.365 7.290 -1.300 1.00 0.39 H new ATOM 0 HB3 GLU A 93 5.090 8.298 -1.954 1.00 0.39 H new ATOM 0 HG2 GLU A 93 4.933 9.503 0.153 1.00 0.71 H new ATOM 0 HG3 GLU A 93 6.161 8.468 0.854 1.00 0.71 H new ATOM 1535 N GLU A 94 4.524 7.022 1.883 1.00 0.31 N ATOM 1536 CA GLU A 94 4.667 6.450 3.219 1.00 0.34 C ATOM 1537 C GLU A 94 3.865 5.149 3.299 1.00 0.29 C ATOM 1538 O GLU A 94 4.318 4.157 3.882 1.00 0.29 O ATOM 1539 CB GLU A 94 4.234 7.437 4.306 1.00 0.42 C ATOM 1540 CG GLU A 94 5.189 8.608 4.464 1.00 0.90 C ATOM 1541 CD GLU A 94 4.916 9.428 5.707 1.00 1.40 C ATOM 1542 OE1 GLU A 94 5.287 8.984 6.809 1.00 1.62 O ATOM 1543 OE2 GLU A 94 4.316 10.517 5.587 1.00 2.09 O ATOM 0 H GLU A 94 4.121 7.958 1.854 1.00 0.31 H new ATOM 0 HA GLU A 94 5.720 6.233 3.397 1.00 0.34 H new ATOM 0 HB2 GLU A 94 3.240 7.816 4.069 1.00 0.42 H new ATOM 0 HB3 GLU A 94 4.155 6.910 5.257 1.00 0.42 H new ATOM 0 HG2 GLU A 94 6.212 8.234 4.499 1.00 0.90 H new ATOM 0 HG3 GLU A 94 5.115 9.251 3.587 1.00 0.90 H new ATOM 1550 N VAL A 95 2.691 5.137 2.666 1.00 0.28 N ATOM 1551 CA VAL A 95 1.966 3.888 2.460 1.00 0.26 C ATOM 1552 C VAL A 95 2.776 2.976 1.547 1.00 0.25 C ATOM 1553 O VAL A 95 2.822 1.772 1.761 1.00 0.26 O ATOM 1554 CB VAL A 95 0.554 4.091 1.861 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.107 2.741 1.578 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.305 4.926 2.800 1.00 0.62 C ATOM 0 H VAL A 95 2.229 5.966 2.293 1.00 0.28 H new ATOM 0 HA VAL A 95 1.831 3.436 3.443 1.00 0.26 H new ATOM 0 HB VAL A 95 0.651 4.627 0.917 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -1.099 2.903 1.157 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.501 2.180 0.868 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.194 2.177 2.507 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.295 5.060 2.365 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.396 4.417 3.759 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.161 5.900 2.949 1.00 0.62 H new ATOM 1566 N LYS A 96 3.453 3.562 0.559 1.00 0.26 N ATOM 1567 CA LYS A 96 4.334 2.795 -0.328 1.00 0.30 C ATOM 1568 C LYS A 96 5.358 1.993 0.474 1.00 0.33 C ATOM 1569 O LYS A 96 5.811 0.938 0.042 1.00 0.39 O ATOM 1570 CB LYS A 96 5.069 3.676 -1.343 1.00 0.36 C ATOM 1571 CG LYS A 96 4.186 4.259 -2.432 1.00 0.88 C ATOM 1572 CD LYS A 96 5.010 5.066 -3.424 1.00 1.20 C ATOM 1573 CE LYS A 96 4.137 5.761 -4.455 1.00 1.69 C ATOM 1574 NZ LYS A 96 4.942 6.560 -5.419 1.00 2.00 N ATOM 0 H LYS A 96 3.410 4.560 0.352 1.00 0.26 H new ATOM 0 HA LYS A 96 3.684 2.117 -0.881 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.554 4.494 -0.810 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.859 3.088 -1.810 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.666 3.455 -2.954 1.00 0.88 H new ATOM 0 HG3 LYS A 96 3.422 4.895 -1.985 1.00 0.88 H new ATOM 0 HD2 LYS A 96 5.598 5.810 -2.887 1.00 1.20 H new ATOM 0 HD3 LYS A 96 5.715 4.407 -3.931 1.00 1.20 H new ATOM 0 HE2 LYS A 96 3.555 5.017 -4.998 1.00 1.69 H new ATOM 0 HE3 LYS A 96 3.426 6.413 -3.948 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 4.308 7.018 -6.105 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 5.478 7.287 -4.904 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 5.603 5.934 -5.922 1.00 2.00 H new ATOM 1588 N LYS A 97 5.734 2.511 1.635 1.00 0.33 N ATOM 1589 CA LYS A 97 6.697 1.840 2.486 1.00 0.39 C ATOM 1590 C LYS A 97 6.025 0.682 3.219 1.00 0.35 C ATOM 1591 O LYS A 97 6.603 -0.397 3.354 1.00 0.45 O ATOM 1592 CB LYS A 97 7.313 2.838 3.478 1.00 0.49 C ATOM 1593 CG LYS A 97 8.573 2.337 4.183 1.00 1.09 C ATOM 1594 CD LYS A 97 8.255 1.420 5.357 1.00 1.89 C ATOM 1595 CE LYS A 97 9.519 0.847 5.983 1.00 2.76 C ATOM 1596 NZ LYS A 97 10.247 -0.064 5.057 1.00 3.43 N ATOM 0 H LYS A 97 5.385 3.394 2.006 1.00 0.33 H new ATOM 0 HA LYS A 97 7.501 1.436 1.870 1.00 0.39 H new ATOM 0 HB2 LYS A 97 7.552 3.759 2.946 1.00 0.49 H new ATOM 0 HB3 LYS A 97 6.566 3.090 4.231 1.00 0.49 H new ATOM 0 HG2 LYS A 97 9.199 1.803 3.468 1.00 1.09 H new ATOM 0 HG3 LYS A 97 9.151 3.190 4.538 1.00 1.09 H new ATOM 0 HD2 LYS A 97 7.695 1.974 6.110 1.00 1.89 H new ATOM 0 HD3 LYS A 97 7.615 0.605 5.019 1.00 1.89 H new ATOM 0 HE2 LYS A 97 10.178 1.664 6.278 1.00 2.76 H new ATOM 0 HE3 LYS A 97 9.258 0.305 6.892 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 10.966 -0.596 5.587 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 9.574 -0.729 4.624 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 10.709 0.495 4.312 1.00 3.43 H new ATOM 1610 N LEU A 98 4.797 0.902 3.683 1.00 0.30 N ATOM 1611 CA LEU A 98 4.099 -0.124 4.453 1.00 0.33 C ATOM 1612 C LEU A 98 3.420 -1.170 3.579 1.00 0.27 C ATOM 1613 O LEU A 98 3.263 -2.313 4.001 1.00 0.35 O ATOM 1614 CB LEU A 98 3.089 0.485 5.430 1.00 0.45 C ATOM 1615 CG LEU A 98 2.219 1.618 4.903 1.00 0.83 C ATOM 1616 CD1 LEU A 98 0.917 1.068 4.355 1.00 1.70 C ATOM 1617 CD2 LEU A 98 1.951 2.635 5.999 1.00 1.29 C ATOM 0 H LEU A 98 4.272 1.765 3.543 1.00 0.30 H new ATOM 0 HA LEU A 98 4.874 -0.634 5.025 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.433 -0.312 5.780 1.00 0.45 H new ATOM 0 HB3 LEU A 98 3.636 0.853 6.298 1.00 0.45 H new ATOM 0 HG LEU A 98 2.750 2.119 4.094 1.00 0.83 H new ATOM 0 HD11 LEU A 98 0.304 1.888 3.981 1.00 1.70 H new ATOM 0 HD12 LEU A 98 1.129 0.374 3.542 1.00 1.70 H new ATOM 0 HD13 LEU A 98 0.380 0.546 5.147 1.00 1.70 H new ATOM 0 HD21 LEU A 98 1.328 3.438 5.606 1.00 1.29 H new ATOM 0 HD22 LEU A 98 1.436 2.149 6.828 1.00 1.29 H new ATOM 0 HD23 LEU A 98 2.896 3.048 6.351 1.00 1.29 H new ATOM 1629 N LEU A 99 3.028 -0.799 2.367 1.00 0.21 N ATOM 1630 CA LEU A 99 2.342 -1.738 1.472 1.00 0.22 C ATOM 1631 C LEU A 99 3.289 -2.815 0.923 1.00 0.25 C ATOM 1632 O LEU A 99 2.987 -3.472 -0.069 1.00 0.43 O ATOM 1633 CB LEU A 99 1.609 -1.020 0.323 1.00 0.36 C ATOM 1634 CG LEU A 99 2.413 -0.020 -0.517 1.00 0.38 C ATOM 1635 CD1 LEU A 99 3.479 -0.706 -1.358 1.00 1.29 C ATOM 1636 CD2 LEU A 99 1.478 0.778 -1.412 1.00 1.30 C ATOM 0 H LEU A 99 3.169 0.134 1.979 1.00 0.21 H new ATOM 0 HA LEU A 99 1.590 -2.238 2.082 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.212 -1.781 -0.349 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.755 -0.492 0.747 1.00 0.36 H new ATOM 0 HG LEU A 99 2.923 0.652 0.173 1.00 0.38 H new ATOM 0 HD11 LEU A 99 4.023 0.041 -1.936 1.00 1.29 H new ATOM 0 HD12 LEU A 99 4.173 -1.235 -0.705 1.00 1.29 H new ATOM 0 HD13 LEU A 99 3.006 -1.416 -2.037 1.00 1.29 H new ATOM 0 HD21 LEU A 99 2.058 1.486 -2.005 1.00 1.30 H new ATOM 0 HD22 LEU A 99 0.944 0.099 -2.077 1.00 1.30 H new ATOM 0 HD23 LEU A 99 0.761 1.322 -0.797 1.00 1.30 H new ATOM 1648 N VAL A 100 4.428 -2.988 1.571 1.00 0.32 N ATOM 1649 CA VAL A 100 5.377 -4.024 1.201 1.00 0.36 C ATOM 1650 C VAL A 100 5.151 -5.264 2.069 1.00 0.37 C ATOM 1651 O VAL A 100 4.967 -5.145 3.281 1.00 0.45 O ATOM 1652 CB VAL A 100 6.832 -3.518 1.370 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.843 -4.595 0.997 1.00 1.35 C ATOM 1654 CG2 VAL A 100 7.059 -2.263 0.538 1.00 1.29 C ATOM 0 H VAL A 100 4.720 -2.418 2.364 1.00 0.32 H new ATOM 0 HA VAL A 100 5.222 -4.282 0.153 1.00 0.36 H new ATOM 0 HB VAL A 100 6.979 -3.273 2.422 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.853 -4.207 1.127 1.00 1.35 H new ATOM 0 HG12 VAL A 100 7.703 -5.464 1.640 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.697 -4.886 -0.043 1.00 1.35 H new ATOM 0 HG21 VAL A 100 8.086 -1.921 0.668 1.00 1.29 H new ATOM 0 HG22 VAL A 100 6.882 -2.487 -0.514 1.00 1.29 H new ATOM 0 HG23 VAL A 100 6.372 -1.482 0.863 1.00 1.29 H new ATOM 1664 N PRO A 101 5.145 -6.467 1.454 1.00 0.39 N ATOM 1665 CA PRO A 101 4.980 -7.750 2.168 1.00 0.49 C ATOM 1666 C PRO A 101 5.996 -7.931 3.289 1.00 0.65 C ATOM 1667 O PRO A 101 5.778 -8.712 4.219 1.00 0.88 O ATOM 1668 CB PRO A 101 5.200 -8.807 1.075 1.00 0.64 C ATOM 1669 CG PRO A 101 5.835 -8.072 -0.056 1.00 0.60 C ATOM 1670 CD PRO A 101 5.289 -6.680 0.011 1.00 0.45 C ATOM 0 HA PRO A 101 4.006 -7.815 2.653 1.00 0.49 H new ATOM 0 HB2 PRO A 101 5.841 -9.613 1.430 1.00 0.64 H new ATOM 0 HB3 PRO A 101 4.257 -9.261 0.770 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.921 -8.072 0.037 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.597 -8.541 -1.011 1.00 0.60 H new ATOM 0 HD2 PRO A 101 5.967 -5.956 -0.441 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.335 -6.592 -0.510 1.00 0.45 H new ATOM 1678 N ALA A 102 7.109 -7.213 3.172 1.00 0.68 N ATOM 1679 CA ALA A 102 8.123 -7.159 4.215 1.00 0.92 C ATOM 1680 C ALA A 102 8.749 -8.532 4.470 1.00 1.62 C ATOM 1681 O ALA A 102 8.670 -9.427 3.622 1.00 2.54 O ATOM 1682 CB ALA A 102 7.528 -6.585 5.499 1.00 1.15 C ATOM 0 H ALA A 102 7.332 -6.652 2.350 1.00 0.68 H new ATOM 0 HA ALA A 102 8.921 -6.501 3.872 1.00 0.92 H new ATOM 0 HB1 ALA A 102 8.296 -6.550 6.272 1.00 1.15 H new ATOM 0 HB2 ALA A 102 7.157 -5.578 5.310 1.00 1.15 H new ATOM 0 HB3 ALA A 102 6.706 -7.217 5.833 1.00 1.15 H new ATOM 1688 N ALA A 103 9.402 -8.666 5.626 1.00 1.90 N ATOM 1689 CA ALA A 103 10.018 -9.923 6.052 1.00 2.74 C ATOM 1690 C ALA A 103 11.145 -10.342 5.110 1.00 3.51 C ATOM 1691 O ALA A 103 11.462 -11.526 4.995 1.00 4.17 O ATOM 1692 CB ALA A 103 8.970 -11.026 6.162 1.00 3.15 C ATOM 0 H ALA A 103 9.518 -7.904 6.294 1.00 1.90 H new ATOM 0 HA ALA A 103 10.454 -9.760 7.037 1.00 2.74 H new ATOM 0 HB1 ALA A 103 9.449 -11.952 6.480 1.00 3.15 H new ATOM 0 HB2 ALA A 103 8.214 -10.738 6.893 1.00 3.15 H new ATOM 0 HB3 ALA A 103 8.497 -11.177 5.192 1.00 3.15 H new ATOM 1698 N GLU A 104 11.765 -9.367 4.455 1.00 3.92 N ATOM 1699 CA GLU A 104 12.857 -9.647 3.534 1.00 5.00 C ATOM 1700 C GLU A 104 14.151 -9.881 4.303 1.00 5.52 C ATOM 1701 O GLU A 104 14.938 -10.772 3.975 1.00 5.64 O ATOM 1702 CB GLU A 104 13.039 -8.493 2.541 1.00 5.60 C ATOM 1703 CG GLU A 104 14.175 -8.717 1.554 1.00 6.47 C ATOM 1704 CD GLU A 104 14.351 -7.572 0.577 1.00 7.07 C ATOM 1705 OE1 GLU A 104 13.395 -7.268 -0.166 1.00 7.30 O ATOM 1706 OE2 GLU A 104 15.438 -6.960 0.556 1.00 7.55 O ATOM 0 H GLU A 104 11.530 -8.379 4.545 1.00 3.92 H new ATOM 0 HA GLU A 104 12.608 -10.549 2.975 1.00 5.00 H new ATOM 0 HB2 GLU A 104 12.111 -8.350 1.988 1.00 5.60 H new ATOM 0 HB3 GLU A 104 13.225 -7.573 3.095 1.00 5.60 H new ATOM 0 HG2 GLU A 104 15.104 -8.861 2.106 1.00 6.47 H new ATOM 0 HG3 GLU A 104 13.989 -9.636 0.998 1.00 6.47 H new ATOM 1713 N GLY A 105 14.345 -9.090 5.343 1.00 6.19 N ATOM 1714 CA GLY A 105 15.581 -9.149 6.093 1.00 7.00 C ATOM 1715 C GLY A 105 16.654 -8.300 5.448 1.00 7.89 C ATOM 1716 O GLY A 105 17.764 -8.772 5.200 1.00 8.70 O ATOM 0 H GLY A 105 13.668 -8.407 5.683 1.00 6.19 H new ATOM 0 HA2 GLY A 105 15.407 -8.807 7.113 1.00 7.00 H new ATOM 0 HA3 GLY A 105 15.921 -10.183 6.157 1.00 7.00 H new ATOM 1720 N GLU A 106 16.307 -7.044 5.177 1.00 7.96 N ATOM 1721 CA GLU A 106 17.204 -6.105 4.508 1.00 8.97 C ATOM 1722 C GLU A 106 18.482 -5.922 5.310 1.00 9.33 C ATOM 1723 O GLU A 106 19.587 -6.037 4.784 1.00 9.43 O ATOM 1724 CB GLU A 106 16.519 -4.748 4.352 1.00 9.46 C ATOM 1725 CG GLU A 106 15.212 -4.800 3.582 1.00 9.55 C ATOM 1726 CD GLU A 106 14.484 -3.474 3.613 1.00 10.47 C ATOM 1727 OE1 GLU A 106 15.000 -2.496 3.033 1.00 10.82 O ATOM 1728 OE2 GLU A 106 13.375 -3.410 4.185 1.00 10.99 O ATOM 0 H GLU A 106 15.397 -6.649 5.415 1.00 7.96 H new ATOM 0 HA GLU A 106 17.450 -6.511 3.527 1.00 8.97 H new ATOM 0 HB2 GLU A 106 16.329 -4.333 5.342 1.00 9.46 H new ATOM 0 HB3 GLU A 106 17.200 -4.065 3.845 1.00 9.46 H new ATOM 0 HG2 GLU A 106 15.411 -5.080 2.548 1.00 9.55 H new ATOM 0 HG3 GLU A 106 14.573 -5.575 4.005 1.00 9.55 H new ATOM 1735 N ASP A 107 18.310 -5.646 6.592 1.00 9.76 N ATOM 1736 CA ASP A 107 19.424 -5.382 7.492 1.00 10.43 C ATOM 1737 C ASP A 107 20.196 -6.648 7.805 1.00 10.48 C ATOM 1738 O ASP A 107 21.367 -6.605 8.167 1.00 11.15 O ATOM 1739 CB ASP A 107 18.919 -4.729 8.786 1.00 10.67 C ATOM 1740 CG ASP A 107 17.808 -5.526 9.454 1.00 11.41 C ATOM 1741 OD1 ASP A 107 16.678 -5.544 8.914 1.00 11.57 O ATOM 1742 OD2 ASP A 107 18.055 -6.136 10.518 1.00 11.98 O ATOM 0 H ASP A 107 17.395 -5.598 7.040 1.00 9.76 H new ATOM 0 HA ASP A 107 20.104 -4.694 6.990 1.00 10.43 H new ATOM 0 HB2 ASP A 107 19.751 -4.621 9.482 1.00 10.67 H new ATOM 0 HB3 ASP A 107 18.557 -3.725 8.564 1.00 10.67 H new ATOM 1747 N SER A 108 19.548 -7.773 7.625 1.00 9.96 N ATOM 1748 CA SER A 108 20.157 -9.050 7.907 1.00 10.24 C ATOM 1749 C SER A 108 21.173 -9.443 6.835 1.00 10.41 C ATOM 1750 O SER A 108 22.093 -10.207 7.103 1.00 11.07 O ATOM 1751 CB SER A 108 19.063 -10.097 8.011 1.00 9.88 C ATOM 1752 OG SER A 108 18.245 -9.863 9.146 1.00 10.00 O ATOM 0 H SER A 108 18.589 -7.830 7.281 1.00 9.96 H new ATOM 0 HA SER A 108 20.701 -8.980 8.849 1.00 10.24 H new ATOM 0 HB2 SER A 108 18.452 -10.082 7.108 1.00 9.88 H new ATOM 0 HB3 SER A 108 19.509 -11.089 8.077 1.00 9.88 H new ATOM 0 HG SER A 108 17.546 -10.548 9.192 1.00 10.00 H new ATOM 1758 N LEU A 109 21.026 -8.886 5.641 1.00 10.02 N ATOM 1759 CA LEU A 109 21.839 -9.290 4.495 1.00 10.41 C ATOM 1760 C LEU A 109 23.334 -9.126 4.768 1.00 11.26 C ATOM 1761 O LEU A 109 24.107 -10.073 4.616 1.00 11.94 O ATOM 1762 CB LEU A 109 21.443 -8.490 3.252 1.00 10.12 C ATOM 1763 CG LEU A 109 19.996 -8.679 2.789 1.00 9.48 C ATOM 1764 CD1 LEU A 109 19.719 -7.845 1.550 1.00 9.47 C ATOM 1765 CD2 LEU A 109 19.710 -10.148 2.515 1.00 9.65 C ATOM 0 H LEU A 109 20.350 -8.150 5.437 1.00 10.02 H new ATOM 0 HA LEU A 109 21.648 -10.349 4.320 1.00 10.41 H new ATOM 0 HB2 LEU A 109 21.608 -7.431 3.453 1.00 10.12 H new ATOM 0 HB3 LEU A 109 22.108 -8.767 2.434 1.00 10.12 H new ATOM 0 HG LEU A 109 19.334 -8.342 3.587 1.00 9.48 H new ATOM 0 HD11 LEU A 109 18.686 -7.992 1.236 1.00 9.47 H new ATOM 0 HD12 LEU A 109 19.883 -6.791 1.777 1.00 9.47 H new ATOM 0 HD13 LEU A 109 20.390 -8.152 0.747 1.00 9.47 H new ATOM 0 HD21 LEU A 109 18.677 -10.263 2.187 1.00 9.65 H new ATOM 0 HD22 LEU A 109 20.380 -10.510 1.735 1.00 9.65 H new ATOM 0 HD23 LEU A 109 19.868 -10.725 3.426 1.00 9.65 H new ATOM 1777 N LYS A 110 23.739 -7.929 5.166 1.00 11.40 N ATOM 1778 CA LYS A 110 25.148 -7.663 5.422 1.00 12.34 C ATOM 1779 C LYS A 110 25.543 -8.069 6.837 1.00 12.93 C ATOM 1780 O LYS A 110 26.651 -8.558 7.063 1.00 13.70 O ATOM 1781 CB LYS A 110 25.473 -6.189 5.183 1.00 12.53 C ATOM 1782 CG LYS A 110 25.197 -5.740 3.759 1.00 12.99 C ATOM 1783 CD LYS A 110 25.596 -4.291 3.537 1.00 13.18 C ATOM 1784 CE LYS A 110 25.254 -3.836 2.129 1.00 13.26 C ATOM 1785 NZ LYS A 110 25.683 -2.438 1.868 1.00 13.83 N ATOM 0 H LYS A 110 23.119 -7.133 5.318 1.00 11.40 H new ATOM 0 HA LYS A 110 25.728 -8.267 4.724 1.00 12.34 H new ATOM 0 HB2 LYS A 110 24.887 -5.578 5.870 1.00 12.53 H new ATOM 0 HB3 LYS A 110 26.523 -6.013 5.416 1.00 12.53 H new ATOM 0 HG2 LYS A 110 25.743 -6.378 3.064 1.00 12.99 H new ATOM 0 HG3 LYS A 110 24.137 -5.863 3.538 1.00 12.99 H new ATOM 0 HD2 LYS A 110 25.086 -3.656 4.261 1.00 13.18 H new ATOM 0 HD3 LYS A 110 26.666 -4.175 3.709 1.00 13.18 H new ATOM 0 HE2 LYS A 110 25.731 -4.501 1.409 1.00 13.26 H new ATOM 0 HE3 LYS A 110 24.178 -3.918 1.974 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 25.428 -2.173 0.895 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 25.208 -1.799 2.537 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 26.713 -2.363 1.989 1.00 13.83 H new ATOM 1799 N LYS A 111 24.634 -7.880 7.788 1.00 12.70 N ATOM 1800 CA LYS A 111 24.919 -8.211 9.182 1.00 13.45 C ATOM 1801 C LYS A 111 25.163 -9.707 9.354 1.00 13.69 C ATOM 1802 O LYS A 111 26.024 -10.117 10.134 1.00 14.58 O ATOM 1803 CB LYS A 111 23.780 -7.757 10.101 1.00 13.35 C ATOM 1804 CG LYS A 111 23.620 -6.246 10.175 1.00 13.65 C ATOM 1805 CD LYS A 111 22.429 -5.852 11.039 1.00 14.12 C ATOM 1806 CE LYS A 111 22.671 -6.140 12.513 1.00 14.42 C ATOM 1807 NZ LYS A 111 23.594 -5.149 13.128 1.00 14.52 N ATOM 0 H LYS A 111 23.701 -7.503 7.623 1.00 12.70 H new ATOM 0 HA LYS A 111 25.827 -7.677 9.464 1.00 13.45 H new ATOM 0 HB2 LYS A 111 22.846 -8.196 9.751 1.00 13.35 H new ATOM 0 HB3 LYS A 111 23.958 -8.144 11.104 1.00 13.35 H new ATOM 0 HG2 LYS A 111 24.529 -5.802 10.582 1.00 13.65 H new ATOM 0 HG3 LYS A 111 23.491 -5.843 9.170 1.00 13.65 H new ATOM 0 HD2 LYS A 111 22.221 -4.790 10.907 1.00 14.12 H new ATOM 0 HD3 LYS A 111 21.544 -6.394 10.705 1.00 14.12 H new ATOM 0 HE2 LYS A 111 21.720 -6.130 13.046 1.00 14.42 H new ATOM 0 HE3 LYS A 111 23.087 -7.141 12.624 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 23.733 -5.381 14.132 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 24.510 -5.176 12.637 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 23.185 -4.196 13.046 1.00 14.52 H new ATOM 1821 N MET A 112 24.414 -10.520 8.619 1.00 13.03 N ATOM 1822 CA MET A 112 24.565 -11.967 8.703 1.00 13.43 C ATOM 1823 C MET A 112 25.805 -12.438 7.963 1.00 13.93 C ATOM 1824 O MET A 112 26.423 -13.423 8.354 1.00 14.71 O ATOM 1825 CB MET A 112 23.326 -12.695 8.175 1.00 12.78 C ATOM 1826 CG MET A 112 22.150 -12.658 9.138 1.00 12.65 C ATOM 1827 SD MET A 112 20.675 -13.451 8.473 1.00 12.08 S ATOM 1828 CE MET A 112 21.276 -15.118 8.217 1.00 12.60 C ATOM 0 H MET A 112 23.700 -10.204 7.962 1.00 13.03 H new ATOM 0 HA MET A 112 24.680 -12.213 9.759 1.00 13.43 H new ATOM 0 HB2 MET A 112 23.025 -12.246 7.228 1.00 12.78 H new ATOM 0 HB3 MET A 112 23.584 -13.733 7.968 1.00 12.78 H new ATOM 0 HG2 MET A 112 22.433 -13.150 10.068 1.00 12.65 H new ATOM 0 HG3 MET A 112 21.920 -11.621 9.383 1.00 12.65 H new ATOM 0 HE1 MET A 112 20.431 -15.804 8.154 1.00 12.60 H new ATOM 0 HE2 MET A 112 21.848 -15.160 7.290 1.00 12.60 H new ATOM 0 HE3 MET A 112 21.916 -15.406 9.051 1.00 12.60 H new ATOM 1838 N LYS A 113 26.173 -11.738 6.902 1.00 13.65 N ATOM 1839 CA LYS A 113 27.358 -12.109 6.138 1.00 14.28 C ATOM 1840 C LYS A 113 28.618 -11.768 6.933 1.00 15.23 C ATOM 1841 O LYS A 113 29.595 -12.505 6.915 1.00 16.03 O ATOM 1842 CB LYS A 113 27.364 -11.373 4.788 1.00 13.94 C ATOM 1843 CG LYS A 113 27.997 -12.144 3.623 1.00 14.60 C ATOM 1844 CD LYS A 113 29.524 -12.143 3.647 1.00 15.23 C ATOM 1845 CE LYS A 113 30.092 -13.393 4.303 1.00 16.15 C ATOM 1846 NZ LYS A 113 31.561 -13.503 4.111 1.00 16.72 N ATOM 0 H LYS A 113 25.676 -10.919 6.551 1.00 13.65 H new ATOM 0 HA LYS A 113 27.341 -13.183 5.951 1.00 14.28 H new ATOM 0 HB2 LYS A 113 26.336 -11.127 4.523 1.00 13.94 H new ATOM 0 HB3 LYS A 113 27.897 -10.430 4.910 1.00 13.94 H new ATOM 0 HG2 LYS A 113 27.642 -13.174 3.645 1.00 14.60 H new ATOM 0 HG3 LYS A 113 27.656 -11.710 2.683 1.00 14.60 H new ATOM 0 HD2 LYS A 113 29.901 -12.067 2.627 1.00 15.23 H new ATOM 0 HD3 LYS A 113 29.876 -11.262 4.183 1.00 15.23 H new ATOM 0 HE2 LYS A 113 29.866 -13.378 5.369 1.00 16.15 H new ATOM 0 HE3 LYS A 113 29.605 -14.275 3.886 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 31.908 -14.368 4.573 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 31.776 -13.544 3.094 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 32.029 -12.675 4.531 1.00 16.72 H new ATOM 1860 N LEU A 114 28.586 -10.670 7.661 1.00 15.27 N ATOM 1861 CA LEU A 114 29.764 -10.241 8.385 1.00 16.25 C ATOM 1862 C LEU A 114 29.762 -10.734 9.831 1.00 16.89 C ATOM 1863 O LEU A 114 30.604 -11.537 10.220 1.00 17.72 O ATOM 1864 CB LEU A 114 29.896 -8.717 8.344 1.00 16.24 C ATOM 1865 CG LEU A 114 30.116 -8.121 6.952 1.00 16.63 C ATOM 1866 CD1 LEU A 114 30.196 -6.605 7.030 1.00 17.08 C ATOM 1867 CD2 LEU A 114 31.378 -8.691 6.317 1.00 16.95 C ATOM 0 H LEU A 114 27.770 -10.067 7.766 1.00 15.27 H new ATOM 0 HA LEU A 114 30.626 -10.687 7.889 1.00 16.25 H new ATOM 0 HB2 LEU A 114 28.994 -8.278 8.772 1.00 16.24 H new ATOM 0 HB3 LEU A 114 30.728 -8.423 8.984 1.00 16.24 H new ATOM 0 HG LEU A 114 29.266 -8.390 6.325 1.00 16.63 H new ATOM 0 HD11 LEU A 114 30.353 -6.197 6.031 1.00 17.08 H new ATOM 0 HD12 LEU A 114 29.266 -6.212 7.441 1.00 17.08 H new ATOM 0 HD13 LEU A 114 31.027 -6.317 7.674 1.00 17.08 H new ATOM 0 HD21 LEU A 114 31.517 -8.255 5.328 1.00 16.95 H new ATOM 0 HD22 LEU A 114 32.239 -8.454 6.942 1.00 16.95 H new ATOM 0 HD23 LEU A 114 31.283 -9.773 6.226 1.00 16.95 H new ATOM 1879 N MET A 115 28.804 -10.266 10.618 1.00 16.60 N ATOM 1880 CA MET A 115 28.804 -10.521 12.056 1.00 17.37 C ATOM 1881 C MET A 115 28.193 -11.876 12.393 1.00 17.30 C ATOM 1882 O MET A 115 28.804 -12.680 13.098 1.00 18.16 O ATOM 1883 CB MET A 115 28.043 -9.416 12.788 1.00 17.40 C ATOM 1884 CG MET A 115 27.980 -9.612 14.296 1.00 18.36 C ATOM 1885 SD MET A 115 27.067 -8.300 15.136 1.00 18.37 S ATOM 1886 CE MET A 115 25.442 -8.487 14.406 1.00 17.17 C ATOM 0 H MET A 115 28.016 -9.708 10.288 1.00 16.60 H new ATOM 0 HA MET A 115 29.843 -10.531 12.385 1.00 17.37 H new ATOM 0 HB2 MET A 115 28.517 -8.458 12.575 1.00 17.40 H new ATOM 0 HB3 MET A 115 27.028 -9.364 12.395 1.00 17.40 H new ATOM 0 HG2 MET A 115 27.511 -10.571 14.514 1.00 18.36 H new ATOM 0 HG3 MET A 115 28.994 -9.655 14.695 1.00 18.36 H new ATOM 0 HE1 MET A 115 25.215 -7.614 13.794 1.00 17.17 H new ATOM 0 HE2 MET A 115 25.424 -9.381 13.783 1.00 17.17 H new ATOM 0 HE3 MET A 115 24.697 -8.580 15.196 1.00 17.17 H new ATOM 1896 N GLU A 116 26.995 -12.128 11.877 1.00 16.38 N ATOM 1897 CA GLU A 116 26.260 -13.352 12.195 1.00 16.41 C ATOM 1898 C GLU A 116 26.970 -14.587 11.647 1.00 16.77 C ATOM 1899 O GLU A 116 26.718 -15.708 12.085 1.00 17.19 O ATOM 1900 CB GLU A 116 24.846 -13.286 11.621 1.00 15.41 C ATOM 1901 CG GLU A 116 24.027 -12.098 12.100 1.00 15.12 C ATOM 1902 CD GLU A 116 23.661 -12.183 13.562 1.00 15.91 C ATOM 1903 OE1 GLU A 116 23.125 -13.228 13.984 1.00 16.27 O ATOM 1904 OE2 GLU A 116 23.874 -11.193 14.286 1.00 16.29 O ATOM 0 H GLU A 116 26.509 -11.501 11.235 1.00 16.38 H new ATOM 0 HA GLU A 116 26.212 -13.433 13.281 1.00 16.41 H new ATOM 0 HB2 GLU A 116 24.910 -13.252 10.533 1.00 15.41 H new ATOM 0 HB3 GLU A 116 24.318 -14.204 11.881 1.00 15.41 H new ATOM 0 HG2 GLU A 116 24.591 -11.181 11.925 1.00 15.12 H new ATOM 0 HG3 GLU A 116 23.115 -12.030 11.507 1.00 15.12 H new ATOM 1911 N LEU A 117 27.856 -14.361 10.692 1.00 16.72 N ATOM 1912 CA LEU A 117 28.586 -15.434 10.027 1.00 17.21 C ATOM 1913 C LEU A 117 29.575 -16.082 10.991 1.00 18.39 C ATOM 1914 O LEU A 117 29.834 -17.285 10.910 1.00 18.98 O ATOM 1915 CB LEU A 117 29.317 -14.862 8.802 1.00 17.03 C ATOM 1916 CG LEU A 117 29.559 -15.821 7.627 1.00 17.18 C ATOM 1917 CD1 LEU A 117 30.654 -16.827 7.947 1.00 18.26 C ATOM 1918 CD2 LEU A 117 28.270 -16.538 7.255 1.00 16.60 C ATOM 0 H LEU A 117 28.092 -13.428 10.353 1.00 16.72 H new ATOM 0 HA LEU A 117 27.885 -16.202 9.700 1.00 17.21 H new ATOM 0 HB2 LEU A 117 28.745 -14.011 8.433 1.00 17.03 H new ATOM 0 HB3 LEU A 117 30.283 -14.479 9.132 1.00 17.03 H new ATOM 0 HG LEU A 117 29.891 -15.228 6.775 1.00 17.18 H new ATOM 0 HD11 LEU A 117 30.799 -17.490 7.094 1.00 18.26 H new ATOM 0 HD12 LEU A 117 31.583 -16.298 8.158 1.00 18.26 H new ATOM 0 HD13 LEU A 117 30.365 -17.415 8.818 1.00 18.26 H new ATOM 0 HD21 LEU A 117 28.457 -17.214 6.421 1.00 16.60 H new ATOM 0 HD22 LEU A 117 27.911 -17.109 8.111 1.00 16.60 H new ATOM 0 HD23 LEU A 117 27.516 -15.805 6.966 1.00 16.60 H new ATOM 1930 N ALA A 118 30.105 -15.266 11.905 1.00 18.81 N ATOM 1931 CA ALA A 118 31.110 -15.693 12.872 1.00 19.94 C ATOM 1932 C ALA A 118 32.441 -15.879 12.169 1.00 20.25 C ATOM 1933 O ALA A 118 32.800 -16.980 11.745 1.00 20.88 O ATOM 1934 CB ALA A 118 30.694 -16.953 13.627 1.00 20.42 C ATOM 0 H ALA A 118 29.845 -14.284 11.993 1.00 18.81 H new ATOM 0 HA ALA A 118 31.210 -14.912 13.625 1.00 19.94 H new ATOM 0 HB1 ALA A 118 31.476 -17.229 14.334 1.00 20.42 H new ATOM 0 HB2 ALA A 118 29.767 -16.764 14.168 1.00 20.42 H new ATOM 0 HB3 ALA A 118 30.541 -17.768 12.919 1.00 20.42 H new ATOM 1940 N ILE A 119 33.145 -14.770 12.015 1.00 19.90 N ATOM 1941 CA ILE A 119 34.397 -14.742 11.278 1.00 20.25 C ATOM 1942 C ILE A 119 35.548 -15.302 12.112 1.00 21.12 C ATOM 1943 O ILE A 119 35.323 -15.914 13.156 1.00 21.13 O ATOM 1944 CB ILE A 119 34.727 -13.310 10.815 1.00 20.40 C ATOM 1945 CG1 ILE A 119 34.805 -12.357 12.015 1.00 20.16 C ATOM 1946 CG2 ILE A 119 33.687 -12.836 9.808 1.00 20.03 C ATOM 1947 CD1 ILE A 119 35.204 -10.940 11.651 1.00 20.59 C ATOM 0 H ILE A 119 32.866 -13.866 12.396 1.00 19.90 H new ATOM 0 HA ILE A 119 34.273 -15.376 10.400 1.00 20.25 H new ATOM 0 HB ILE A 119 35.703 -13.313 10.329 1.00 20.40 H new ATOM 0 HG12 ILE A 119 33.835 -12.334 12.512 1.00 20.16 H new ATOM 0 HG13 ILE A 119 35.522 -12.752 12.734 1.00 20.16 H new ATOM 0 HG21 ILE A 119 33.928 -11.823 9.486 1.00 20.03 H new ATOM 0 HG22 ILE A 119 33.687 -13.501 8.944 1.00 20.03 H new ATOM 0 HG23 ILE A 119 32.701 -12.844 10.272 1.00 20.03 H new ATOM 0 HD11 ILE A 119 35.237 -10.328 12.553 1.00 20.59 H new ATOM 0 HD12 ILE A 119 36.188 -10.948 11.182 1.00 20.59 H new ATOM 0 HD13 ILE A 119 34.474 -10.524 10.956 1.00 20.59 H new ATOM 1959 N LEU A 120 36.777 -15.093 11.646 1.00 21.92 N ATOM 1960 CA LEU A 120 37.948 -15.661 12.300 1.00 22.85 C ATOM 1961 C LEU A 120 38.056 -15.209 13.758 1.00 23.12 C ATOM 1962 O LEU A 120 37.646 -14.102 14.115 1.00 23.32 O ATOM 1963 CB LEU A 120 39.243 -15.362 11.499 1.00 23.66 C ATOM 1964 CG LEU A 120 39.805 -13.919 11.479 1.00 23.95 C ATOM 1965 CD1 LEU A 120 38.744 -12.892 11.117 1.00 23.98 C ATOM 1966 CD2 LEU A 120 40.484 -13.561 12.794 1.00 23.52 C ATOM 0 H LEU A 120 36.985 -14.535 10.818 1.00 21.92 H new ATOM 0 HA LEU A 120 37.823 -16.744 12.315 1.00 22.85 H new ATOM 0 HB2 LEU A 120 40.026 -16.013 11.887 1.00 23.66 H new ATOM 0 HB3 LEU A 120 39.065 -15.659 10.465 1.00 23.66 H new ATOM 0 HG LEU A 120 40.561 -13.893 10.694 1.00 23.95 H new ATOM 0 HD11 LEU A 120 39.187 -11.896 11.116 1.00 23.98 H new ATOM 0 HD12 LEU A 120 38.347 -13.113 10.126 1.00 23.98 H new ATOM 0 HD13 LEU A 120 37.937 -12.930 11.848 1.00 23.98 H new ATOM 0 HD21 LEU A 120 40.865 -12.541 12.741 1.00 23.52 H new ATOM 0 HD22 LEU A 120 39.763 -13.637 13.608 1.00 23.52 H new ATOM 0 HD23 LEU A 120 41.310 -14.248 12.976 1.00 23.52 H new ATOM 1978 N ASN A 121 38.594 -16.093 14.583 1.00 23.21 N ATOM 1979 CA ASN A 121 38.729 -15.860 16.015 1.00 23.56 C ATOM 1980 C ASN A 121 39.568 -16.987 16.604 1.00 24.31 C ATOM 1981 O ASN A 121 40.363 -17.593 15.884 1.00 24.76 O ATOM 1982 CB ASN A 121 37.349 -15.784 16.698 1.00 23.18 C ATOM 1983 CG ASN A 121 36.539 -17.070 16.598 1.00 23.09 C ATOM 1984 OD1 ASN A 121 36.646 -17.951 17.447 1.00 23.47 O ATOM 1985 ND2 ASN A 121 35.717 -17.184 15.570 1.00 22.69 N ATOM 0 H ASN A 121 38.952 -16.998 14.278 1.00 23.21 H new ATOM 0 HA ASN A 121 39.221 -14.903 16.187 1.00 23.56 H new ATOM 0 HB2 ASN A 121 37.488 -15.535 17.750 1.00 23.18 H new ATOM 0 HB3 ASN A 121 36.778 -14.971 16.251 1.00 23.18 H new ATOM 0 HD21 ASN A 121 35.147 -18.023 15.464 1.00 22.69 H new ATOM 0 HD22 ASN A 121 35.653 -16.433 14.883 1.00 22.69 H new ATOM 1992 N GLY A 122 39.406 -17.259 17.894 1.00 24.55 N ATOM 1993 CA GLY A 122 40.124 -18.358 18.516 1.00 25.33 C ATOM 1994 C GLY A 122 39.848 -19.688 17.836 1.00 25.47 C ATOM 1995 O GLY A 122 40.748 -20.517 17.692 1.00 26.12 O ATOM 0 H GLY A 122 38.791 -16.739 18.520 1.00 24.55 H new ATOM 0 HA2 GLY A 122 41.194 -18.153 18.486 1.00 25.33 H new ATOM 0 HA3 GLY A 122 39.842 -18.425 19.567 1.00 25.33 H new ATOM 1999 N THR A 123 38.605 -19.888 17.416 1.00 24.93 N ATOM 2000 CA THR A 123 38.218 -21.088 16.694 1.00 25.12 C ATOM 2001 C THR A 123 38.848 -21.106 15.302 1.00 25.36 C ATOM 2002 O THR A 123 39.683 -21.957 14.989 1.00 25.90 O ATOM 2003 CB THR A 123 36.685 -21.170 16.550 1.00 24.51 C ATOM 2004 OG1 THR A 123 36.056 -20.974 17.823 1.00 24.32 O ATOM 2005 CG2 THR A 123 36.263 -22.513 15.974 1.00 24.86 C ATOM 0 H THR A 123 37.843 -19.226 17.566 1.00 24.93 H new ATOM 0 HA THR A 123 38.574 -21.945 17.266 1.00 25.12 H new ATOM 0 HB THR A 123 36.369 -20.383 15.865 1.00 24.51 H new ATOM 0 HG1 THR A 123 36.052 -20.019 18.042 1.00 24.32 H new ATOM 0 HG21 THR A 123 35.177 -22.545 15.883 1.00 24.86 H new ATOM 0 HG22 THR A 123 36.714 -22.645 14.990 1.00 24.86 H new ATOM 0 HG23 THR A 123 36.595 -23.313 16.636 1.00 24.86 H new ATOM 2013 N TYR A 124 38.460 -20.142 14.478 1.00 25.05 N ATOM 2014 CA TYR A 124 38.926 -20.078 13.102 1.00 25.37 C ATOM 2015 C TYR A 124 40.255 -19.349 13.025 1.00 25.65 C ATOM 2016 O TYR A 124 40.320 -18.188 12.626 1.00 25.59 O ATOM 2017 CB TYR A 124 37.889 -19.383 12.219 1.00 25.19 C ATOM 2018 CG TYR A 124 36.492 -19.936 12.379 1.00 25.19 C ATOM 2019 CD1 TYR A 124 36.131 -21.152 11.814 1.00 25.38 C ATOM 2020 CD2 TYR A 124 35.534 -19.241 13.103 1.00 25.09 C ATOM 2021 CE1 TYR A 124 34.853 -21.658 11.967 1.00 25.49 C ATOM 2022 CE2 TYR A 124 34.256 -19.738 13.262 1.00 25.20 C ATOM 2023 CZ TYR A 124 33.918 -20.947 12.690 1.00 25.41 C ATOM 2024 OH TYR A 124 32.643 -21.444 12.846 1.00 25.62 O ATOM 0 H TYR A 124 37.821 -19.392 14.741 1.00 25.05 H new ATOM 0 HA TYR A 124 39.067 -21.096 12.739 1.00 25.37 H new ATOM 0 HB2 TYR A 124 37.879 -18.319 12.454 1.00 25.19 H new ATOM 0 HB3 TYR A 124 38.191 -19.477 11.176 1.00 25.19 H new ATOM 0 HD1 TYR A 124 36.860 -21.711 11.246 1.00 25.38 H new ATOM 0 HD2 TYR A 124 35.793 -18.293 13.551 1.00 25.09 H new ATOM 0 HE1 TYR A 124 34.588 -22.606 11.522 1.00 25.49 H new ATOM 0 HE2 TYR A 124 33.525 -19.183 13.831 1.00 25.20 H new ATOM 0 HH TYR A 124 32.112 -20.820 13.383 1.00 25.62 H new ATOM 2034 N ARG A 125 41.309 -20.029 13.446 1.00 26.04 N ATOM 2035 CA ARG A 125 42.652 -19.486 13.368 1.00 26.48 C ATOM 2036 C ARG A 125 43.201 -19.647 11.954 1.00 26.87 C ATOM 2037 O ARG A 125 44.233 -19.086 11.604 1.00 27.16 O ATOM 2038 CB ARG A 125 43.558 -20.167 14.404 1.00 27.04 C ATOM 2039 CG ARG A 125 43.527 -21.690 14.360 1.00 27.29 C ATOM 2040 CD ARG A 125 44.558 -22.260 13.400 1.00 27.33 C ATOM 2041 NE ARG A 125 45.919 -22.083 13.898 1.00 27.77 N ATOM 2042 CZ ARG A 125 46.969 -22.760 13.442 1.00 27.96 C ATOM 2043 NH1 ARG A 125 46.831 -23.607 12.428 1.00 27.74 N ATOM 2044 NH2 ARG A 125 48.160 -22.584 14.002 1.00 28.45 N ATOM 0 H ARG A 125 41.257 -20.965 13.848 1.00 26.04 H new ATOM 0 HA ARG A 125 42.624 -18.421 13.597 1.00 26.48 H new ATOM 0 HB2 ARG A 125 44.583 -19.832 14.249 1.00 27.04 H new ATOM 0 HB3 ARG A 125 43.262 -19.838 15.400 1.00 27.04 H new ATOM 0 HG2 ARG A 125 43.708 -22.084 15.360 1.00 27.29 H new ATOM 0 HG3 ARG A 125 42.533 -22.023 14.062 1.00 27.29 H new ATOM 0 HD2 ARG A 125 44.363 -23.321 13.245 1.00 27.33 H new ATOM 0 HD3 ARG A 125 44.460 -21.773 12.430 1.00 27.33 H new ATOM 0 HE ARG A 125 46.074 -21.400 14.639 1.00 27.77 H new ATOM 0 HH11 ARG A 125 45.917 -23.740 11.996 1.00 27.74 H new ATOM 0 HH12 ARG A 125 47.639 -24.124 12.082 1.00 27.74 H new ATOM 0 HH21 ARG A 125 48.267 -21.932 14.779 1.00 28.45 H new ATOM 0 HH22 ARG A 125 48.968 -23.101 13.655 1.00 28.45 H new ATOM 2058 N ASP A 126 42.487 -20.419 11.151 1.00 26.97 N ATOM 2059 CA ASP A 126 42.837 -20.631 9.750 1.00 27.44 C ATOM 2060 C ASP A 126 42.640 -19.354 8.940 1.00 27.02 C ATOM 2061 O ASP A 126 43.573 -18.852 8.314 1.00 27.36 O ATOM 2062 CB ASP A 126 41.959 -21.744 9.179 1.00 27.72 C ATOM 2063 CG ASP A 126 42.147 -21.951 7.687 1.00 27.85 C ATOM 2064 OD1 ASP A 126 43.009 -22.766 7.295 1.00 28.27 O ATOM 2065 OD2 ASP A 126 41.417 -21.319 6.897 1.00 27.59 O ATOM 0 H ASP A 126 41.648 -20.917 11.449 1.00 26.97 H new ATOM 0 HA ASP A 126 43.888 -20.914 9.689 1.00 27.44 H new ATOM 0 HB2 ASP A 126 42.182 -22.676 9.699 1.00 27.72 H new ATOM 0 HB3 ASP A 126 40.913 -21.510 9.377 1.00 27.72 H new ATOM 2070 N ALA A 127 41.423 -18.823 8.987 1.00 26.35 N ATOM 2071 CA ALA A 127 41.059 -17.637 8.220 1.00 25.95 C ATOM 2072 C ALA A 127 41.645 -16.370 8.837 1.00 25.77 C ATOM 2073 O ALA A 127 41.397 -15.263 8.360 1.00 25.47 O ATOM 2074 CB ALA A 127 39.546 -17.527 8.120 1.00 25.25 C ATOM 0 H ALA A 127 40.664 -19.200 9.555 1.00 26.35 H new ATOM 0 HA ALA A 127 41.478 -17.740 7.219 1.00 25.95 H new ATOM 0 HB1 ALA A 127 39.283 -16.639 7.546 1.00 25.25 H new ATOM 0 HB2 ALA A 127 39.149 -18.412 7.622 1.00 25.25 H new ATOM 0 HB3 ALA A 127 39.120 -17.452 9.120 1.00 25.25 H new ATOM 2080 N ASN A 128 42.414 -16.543 9.905 1.00 26.04 N ATOM 2081 CA ASN A 128 43.090 -15.428 10.556 1.00 26.08 C ATOM 2082 C ASN A 128 44.160 -14.875 9.623 1.00 26.74 C ATOM 2083 O ASN A 128 44.273 -13.662 9.435 1.00 26.73 O ATOM 2084 CB ASN A 128 43.705 -15.897 11.880 1.00 26.34 C ATOM 2085 CG ASN A 128 44.326 -14.783 12.712 1.00 26.63 C ATOM 2086 OD1 ASN A 128 44.800 -13.773 12.196 1.00 26.61 O ATOM 2087 ND2 ASN A 128 44.332 -14.972 14.020 1.00 27.01 N ATOM 0 H ASN A 128 42.585 -17.449 10.340 1.00 26.04 H new ATOM 0 HA ASN A 128 42.374 -14.636 10.775 1.00 26.08 H new ATOM 0 HB2 ASN A 128 42.933 -16.389 12.472 1.00 26.34 H new ATOM 0 HB3 ASN A 128 44.469 -16.645 11.668 1.00 26.34 H new ATOM 0 HD21 ASN A 128 44.739 -14.267 14.635 1.00 27.01 H new ATOM 0 HD22 ASN A 128 43.930 -15.822 14.414 1.00 27.01 H new ATOM 2094 N LEU A 129 44.919 -15.775 9.010 1.00 27.38 N ATOM 2095 CA LEU A 129 45.943 -15.372 8.058 1.00 28.13 C ATOM 2096 C LEU A 129 45.337 -15.274 6.669 1.00 28.06 C ATOM 2097 O LEU A 129 45.276 -16.262 5.933 1.00 28.19 O ATOM 2098 CB LEU A 129 47.124 -16.348 8.054 1.00 28.95 C ATOM 2099 CG LEU A 129 47.944 -16.392 9.344 1.00 29.65 C ATOM 2100 CD1 LEU A 129 49.102 -17.367 9.203 1.00 30.01 C ATOM 2101 CD2 LEU A 129 48.462 -15.007 9.697 1.00 30.08 C ATOM 0 H LEU A 129 44.845 -16.782 9.155 1.00 27.38 H new ATOM 0 HA LEU A 129 46.324 -14.397 8.360 1.00 28.13 H new ATOM 0 HB2 LEU A 129 46.745 -17.349 7.850 1.00 28.95 H new ATOM 0 HB3 LEU A 129 47.788 -16.085 7.230 1.00 28.95 H new ATOM 0 HG LEU A 129 47.295 -16.734 10.151 1.00 29.65 H new ATOM 0 HD11 LEU A 129 49.676 -17.387 10.129 1.00 30.01 H new ATOM 0 HD12 LEU A 129 48.715 -18.364 8.995 1.00 30.01 H new ATOM 0 HD13 LEU A 129 49.747 -17.050 8.383 1.00 30.01 H new ATOM 0 HD21 LEU A 129 49.043 -15.060 10.618 1.00 30.08 H new ATOM 0 HD22 LEU A 129 49.095 -14.638 8.889 1.00 30.08 H new ATOM 0 HD23 LEU A 129 47.620 -14.329 9.837 1.00 30.08 H new ATOM 2113 N LYS A 130 44.859 -14.087 6.334 1.00 27.93 N ATOM 2114 CA LYS A 130 44.185 -13.872 5.067 1.00 27.96 C ATOM 2115 C LYS A 130 45.166 -13.903 3.899 1.00 28.18 C ATOM 2116 O LYS A 130 46.015 -13.021 3.747 1.00 28.19 O ATOM 2117 CB LYS A 130 43.402 -12.553 5.076 1.00 27.75 C ATOM 2118 CG LYS A 130 44.221 -11.334 5.474 1.00 27.52 C ATOM 2119 CD LYS A 130 43.443 -10.051 5.240 1.00 27.65 C ATOM 2120 CE LYS A 130 44.214 -8.828 5.706 1.00 28.04 C ATOM 2121 NZ LYS A 130 44.417 -8.820 7.180 1.00 28.17 N ATOM 0 H LYS A 130 44.926 -13.257 6.924 1.00 27.93 H new ATOM 0 HA LYS A 130 43.478 -14.691 4.933 1.00 27.96 H new ATOM 0 HB2 LYS A 130 42.985 -12.386 4.083 1.00 27.75 H new ATOM 0 HB3 LYS A 130 42.561 -12.649 5.763 1.00 27.75 H new ATOM 0 HG2 LYS A 130 44.500 -11.407 6.525 1.00 27.52 H new ATOM 0 HG3 LYS A 130 45.147 -11.311 4.900 1.00 27.52 H new ATOM 0 HD2 LYS A 130 43.215 -9.953 4.179 1.00 27.65 H new ATOM 0 HD3 LYS A 130 42.491 -10.103 5.768 1.00 27.65 H new ATOM 0 HE2 LYS A 130 45.183 -8.800 5.207 1.00 28.04 H new ATOM 0 HE3 LYS A 130 43.677 -7.927 5.410 1.00 28.04 H new ATOM 0 HZ1 LYS A 130 44.761 -7.885 7.478 1.00 28.17 H new ATOM 0 HZ2 LYS A 130 43.515 -9.025 7.656 1.00 28.17 H new ATOM 0 HZ3 LYS A 130 45.117 -9.545 7.438 1.00 28.17 H new ATOM 2135 N SER A 131 45.056 -14.944 3.096 1.00 28.45 N ATOM 2136 CA SER A 131 45.808 -15.042 1.866 1.00 28.77 C ATOM 2137 C SER A 131 44.851 -14.991 0.677 1.00 28.91 C ATOM 2138 O SER A 131 43.873 -15.741 0.626 1.00 29.19 O ATOM 2139 CB SER A 131 46.638 -16.329 1.855 1.00 29.25 C ATOM 2140 OG SER A 131 45.856 -17.453 2.223 1.00 29.23 O ATOM 0 H SER A 131 44.445 -15.740 3.279 1.00 28.45 H new ATOM 0 HA SER A 131 46.497 -14.201 1.791 1.00 28.77 H new ATOM 0 HB2 SER A 131 47.057 -16.485 0.861 1.00 29.25 H new ATOM 0 HB3 SER A 131 47.478 -16.228 2.542 1.00 29.25 H new ATOM 0 HG SER A 131 46.391 -18.269 2.130 1.00 29.23 H new ATOM 2146 N PRO A 132 45.112 -14.090 -0.284 1.00 28.80 N ATOM 2147 CA PRO A 132 44.239 -13.887 -1.452 1.00 29.01 C ATOM 2148 C PRO A 132 44.115 -15.133 -2.326 1.00 29.52 C ATOM 2149 O PRO A 132 43.170 -15.272 -3.103 1.00 29.70 O ATOM 2150 CB PRO A 132 44.924 -12.757 -2.227 1.00 28.82 C ATOM 2151 CG PRO A 132 46.333 -12.746 -1.739 1.00 28.49 C ATOM 2152 CD PRO A 132 46.277 -13.191 -0.308 1.00 28.57 C ATOM 0 HA PRO A 132 43.218 -13.657 -1.149 1.00 29.01 H new ATOM 0 HB2 PRO A 132 44.881 -12.934 -3.302 1.00 28.82 H new ATOM 0 HB3 PRO A 132 44.436 -11.800 -2.042 1.00 28.82 H new ATOM 0 HG2 PRO A 132 46.957 -13.415 -2.332 1.00 28.49 H new ATOM 0 HG3 PRO A 132 46.767 -11.749 -1.821 1.00 28.49 H new ATOM 0 HD2 PRO A 132 47.190 -13.706 -0.010 1.00 28.57 H new ATOM 0 HD3 PRO A 132 46.150 -12.348 0.372 1.00 28.57 H new ATOM 2160 N ALA A 133 45.069 -16.037 -2.189 1.00 29.82 N ATOM 2161 CA ALA A 133 45.051 -17.278 -2.939 1.00 30.39 C ATOM 2162 C ALA A 133 45.113 -18.464 -1.999 1.00 30.54 C ATOM 2163 O ALA A 133 44.128 -19.179 -1.803 1.00 30.82 O ATOM 2164 CB ALA A 133 46.205 -17.311 -3.928 1.00 30.73 C ATOM 0 H ALA A 133 45.868 -15.933 -1.563 1.00 29.82 H new ATOM 0 HA ALA A 133 44.118 -17.337 -3.499 1.00 30.39 H new ATOM 0 HB1 ALA A 133 46.180 -18.248 -4.485 1.00 30.73 H new ATOM 0 HB2 ALA A 133 46.114 -16.474 -4.621 1.00 30.73 H new ATOM 0 HB3 ALA A 133 47.149 -17.234 -3.388 1.00 30.73 H new ATOM 2170 N LEU A 134 46.275 -18.652 -1.419 1.00 30.43 N ATOM 2171 CA LEU A 134 46.510 -19.721 -0.466 1.00 30.66 C ATOM 2172 C LEU A 134 47.775 -19.435 0.328 1.00 30.82 C ATOM 2173 O LEU A 134 47.707 -19.424 1.568 1.00 31.05 O ATOM 2174 CB LEU A 134 46.595 -21.078 -1.180 1.00 30.92 C ATOM 2175 CG LEU A 134 47.532 -21.136 -2.390 1.00 30.78 C ATOM 2176 CD1 LEU A 134 48.754 -21.986 -2.083 1.00 31.20 C ATOM 2177 CD2 LEU A 134 46.794 -21.676 -3.605 1.00 30.60 C ATOM 0 H LEU A 134 47.092 -18.066 -1.593 1.00 30.43 H new ATOM 0 HA LEU A 134 45.671 -19.769 0.228 1.00 30.66 H new ATOM 0 HB2 LEU A 134 46.918 -21.828 -0.458 1.00 30.92 H new ATOM 0 HB3 LEU A 134 45.594 -21.359 -1.506 1.00 30.92 H new ATOM 0 HG LEU A 134 47.870 -20.124 -2.613 1.00 30.78 H new ATOM 0 HD11 LEU A 134 49.406 -22.014 -2.956 1.00 31.20 H new ATOM 0 HD12 LEU A 134 49.294 -21.555 -1.240 1.00 31.20 H new ATOM 0 HD13 LEU A 134 48.439 -22.999 -1.833 1.00 31.20 H new ATOM 0 HD21 LEU A 134 47.473 -21.711 -4.457 1.00 30.60 H new ATOM 0 HD22 LEU A 134 46.427 -22.680 -3.391 1.00 30.60 H new ATOM 0 HD23 LEU A 134 45.952 -21.024 -3.839 1.00 30.60 H new ATOM 2189 N HIS A 135 48.819 -19.149 -0.299 1.00 30.79 N TER 2190 HIS A 135