USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 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 2 GLN : amide:sc= -5! C(o=-13!,f=-20!) USER MOD Set 1.2: A 4 ASN : amide:sc= -2.67 K(o=-13,f=-20!) USER MOD Set 1.3: A 117 ASN : amide:sc= -2.8 K(o=-13,f=-23!) USER MOD Set 1.4: A 119 GLN : amide:sc= -2.46 K(o=-13,f=-17!) USER MOD Set 2.1: A 111 GLN : amide:sc= -0.555 K(o=-2.1,f=-1.3) USER MOD Set 2.2: A 113 HIS : no HD1:sc= -1.58 K(o=-2.1,f=-1.3) USER MOD Set 3.1: A 71 ASN : amide:sc= -3.91! K(o=-5.9!,f=-0.45) USER MOD Set 3.2: A 74 THR OG1 : rot 95:sc= -2.02! USER MOD Single : A 1 GLU N :NH3+ -159:sc= 1.34 (180deg=1.23) USER MOD Single : A 9 THR OG1 : rot 105:sc= 0.909 USER MOD Single : A 10 TYR OH : rot -106:sc= 0.58 USER MOD Single : A 11 HIS : no HD1:sc= -0.0672 X(o=-0.067,f=-0.35) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 18 ASN : amide:sc= -1.55! C(o=-1.5!,f=-7.3!) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 28 SER OG : rot -17:sc= 0.297 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0882 USER MOD Single : A 37 SER OG : rot -117:sc= 1.02 USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.217) USER MOD Single : A 41 SER OG : rot 180:sc= -0.583 USER MOD Single : A 44 SER OG : rot 180:sc=-0.000605 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0.828 (180deg=0.807) USER MOD Single : A 46 TYR OH : rot -91:sc= -0.0638 USER MOD Single : A 49 THR OG1 : rot 23:sc= 0.0896 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 65 LYS NZ :NH3+ -138:sc= -0.196 (180deg=-0.642) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.638 USER MOD Single : A 77 GLN : amide:sc= -1.77 K(o=-1.8,f=-0.91) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.312 K(o=-0.31,f=-1.2) USER MOD Single : A 88 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.094) USER MOD Single : A 97 THR OG1 : rot 121:sc= -1.04 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0561 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 105 ASN : amide:sc= -3.71! C(o=-3.7!,f=-16!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.627 K(o=-0.63,f=0) USER MOD Single : A 115 ASN : amide:sc= -2.03 K(o=-2,f=-11!) USER MOD Single : A 118 TYR OH : rot -3:sc= 1.34 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.375 13.665 -0.357 1.00 0.00 N ATOM 2 CA GLU A 1 3.154 14.672 -1.142 1.00 0.00 C ATOM 3 C GLU A 1 4.334 13.885 -1.749 1.00 0.00 C ATOM 4 O GLU A 1 4.093 13.140 -2.682 1.00 0.00 O ATOM 5 CB GLU A 1 3.590 15.791 -0.147 1.00 0.00 C ATOM 6 CG GLU A 1 4.266 16.949 -0.932 1.00 0.00 C ATOM 7 CD GLU A 1 4.608 18.119 -0.001 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.452 17.878 0.841 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.002 19.156 -0.203 1.00 0.00 O ATOM 0 H1 GLU A 1 1.404 14.010 -0.216 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.350 12.764 -0.876 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.828 13.519 0.568 1.00 0.00 H new ATOM 0 HA GLU A 1 2.606 15.160 -1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.724 16.165 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.282 15.386 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.174 16.585 -1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.601 17.293 -1.724 1.00 0.00 H new ATOM 18 N GLN A 2 5.536 14.030 -1.249 1.00 0.00 N ATOM 19 CA GLN A 2 6.696 13.266 -1.819 1.00 0.00 C ATOM 20 C GLN A 2 7.687 12.708 -0.780 1.00 0.00 C ATOM 21 O GLN A 2 8.205 13.441 0.041 1.00 0.00 O ATOM 22 CB GLN A 2 7.449 14.212 -2.817 1.00 0.00 C ATOM 23 CG GLN A 2 8.875 13.640 -3.219 1.00 0.00 C ATOM 24 CD GLN A 2 9.932 13.882 -2.124 1.00 0.00 C ATOM 25 OE1 GLN A 2 10.599 12.987 -1.659 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.137 15.072 -1.663 1.00 0.00 N ATOM 0 H GLN A 2 5.767 14.645 -0.469 1.00 0.00 H new ATOM 0 HA GLN A 2 6.283 12.384 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.846 14.345 -3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.568 15.196 -2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.794 12.570 -3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.203 14.108 -4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.598 15.859 -2.025 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.838 15.224 -0.937 1.00 0.00 H new ATOM 35 N ALA A 3 7.909 11.424 -0.851 1.00 0.00 N ATOM 36 CA ALA A 3 8.863 10.778 0.085 1.00 0.00 C ATOM 37 C ALA A 3 9.895 10.067 -0.825 1.00 0.00 C ATOM 38 O ALA A 3 9.497 9.315 -1.704 1.00 0.00 O ATOM 39 CB ALA A 3 8.066 9.806 0.934 1.00 0.00 C ATOM 0 H ALA A 3 7.467 10.795 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 3 9.378 11.460 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.732 9.308 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.297 10.349 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.596 9.062 0.291 1.00 0.00 H new ATOM 45 N ASN A 4 11.161 10.325 -0.595 1.00 0.00 N ATOM 46 CA ASN A 4 12.255 9.692 -1.412 1.00 0.00 C ATOM 47 C ASN A 4 13.178 8.798 -0.544 1.00 0.00 C ATOM 48 O ASN A 4 13.023 8.792 0.660 1.00 0.00 O ATOM 49 CB ASN A 4 13.041 10.845 -2.116 1.00 0.00 C ATOM 50 CG ASN A 4 12.197 11.434 -3.252 1.00 0.00 C ATOM 51 OD1 ASN A 4 11.339 10.806 -3.825 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.385 12.646 -3.650 1.00 0.00 N ATOM 0 H ASN A 4 11.491 10.957 0.135 1.00 0.00 H new ATOM 0 HA ASN A 4 11.829 9.024 -2.161 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.287 11.623 -1.393 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.984 10.466 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.822 13.026 -4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.096 13.225 -3.203 1.00 0.00 H new ATOM 59 N ASP A 5 14.106 8.090 -1.153 1.00 0.00 N ATOM 60 CA ASP A 5 15.069 7.155 -0.460 1.00 0.00 C ATOM 61 C ASP A 5 14.374 6.585 0.807 1.00 0.00 C ATOM 62 O ASP A 5 14.799 6.730 1.944 1.00 0.00 O ATOM 63 CB ASP A 5 16.382 7.946 -0.103 1.00 0.00 C ATOM 64 CG ASP A 5 17.494 6.923 0.180 1.00 0.00 C ATOM 65 OD1 ASP A 5 17.765 6.198 -0.765 1.00 0.00 O ATOM 66 OD2 ASP A 5 18.001 6.913 1.291 1.00 0.00 O ATOM 0 H ASP A 5 14.243 8.124 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 5 15.346 6.321 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.668 8.601 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.219 8.581 0.768 1.00 0.00 H new ATOM 71 N VAL A 6 13.270 5.932 0.516 1.00 0.00 N ATOM 72 CA VAL A 6 12.454 5.324 1.600 1.00 0.00 C ATOM 73 C VAL A 6 12.603 3.815 1.658 1.00 0.00 C ATOM 74 O VAL A 6 12.323 3.104 0.706 1.00 0.00 O ATOM 75 CB VAL A 6 10.948 5.626 1.394 1.00 0.00 C ATOM 76 CG1 VAL A 6 10.171 5.322 2.698 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.714 7.077 1.000 1.00 0.00 C ATOM 0 H VAL A 6 12.906 5.798 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 6 12.820 5.764 2.528 1.00 0.00 H new ATOM 0 HB VAL A 6 10.591 4.990 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.113 5.536 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.296 4.271 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.557 5.945 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.646 7.250 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.091 7.733 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.237 7.290 0.068 1.00 0.00 H new ATOM 87 N ARG A 7 13.046 3.390 2.816 1.00 0.00 N ATOM 88 CA ARG A 7 13.255 1.934 3.107 1.00 0.00 C ATOM 89 C ARG A 7 11.802 1.387 2.994 1.00 0.00 C ATOM 90 O ARG A 7 11.113 1.277 3.990 1.00 0.00 O ATOM 91 CB ARG A 7 13.806 1.785 4.557 1.00 0.00 C ATOM 92 CG ARG A 7 15.089 2.630 4.846 1.00 0.00 C ATOM 93 CD ARG A 7 15.375 2.463 6.361 1.00 0.00 C ATOM 94 NE ARG A 7 16.471 3.417 6.770 1.00 0.00 N ATOM 95 CZ ARG A 7 16.196 4.528 7.341 1.00 0.00 C ATOM 96 NH1 ARG A 7 15.715 4.497 8.515 1.00 0.00 N ATOM 97 NH2 ARG A 7 16.417 5.602 6.697 1.00 0.00 N ATOM 0 H ARG A 7 13.278 4.008 3.594 1.00 0.00 H new ATOM 0 HA ARG A 7 13.961 1.420 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.027 2.076 5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.027 0.734 4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.931 2.279 4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.932 3.678 4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.471 2.661 6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.672 1.436 6.576 1.00 0.00 H new ATOM 0 HE ARG A 7 17.444 3.172 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.557 3.602 8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.486 5.367 8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.803 5.561 5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.209 6.505 7.124 1.00 0.00 H new ATOM 111 N ALA A 8 11.380 1.077 1.803 1.00 0.00 N ATOM 112 CA ALA A 8 10.015 0.569 1.570 1.00 0.00 C ATOM 113 C ALA A 8 9.870 -0.939 1.793 1.00 0.00 C ATOM 114 O ALA A 8 10.679 -1.751 1.386 1.00 0.00 O ATOM 115 CB ALA A 8 9.649 0.995 0.108 1.00 0.00 C ATOM 0 H ALA A 8 11.947 1.160 0.959 1.00 0.00 H new ATOM 0 HA ALA A 8 9.325 0.995 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.644 0.648 -0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.687 2.081 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.361 0.553 -0.589 1.00 0.00 H new ATOM 121 N THR A 9 8.790 -1.243 2.454 1.00 0.00 N ATOM 122 CA THR A 9 8.450 -2.666 2.773 1.00 0.00 C ATOM 123 C THR A 9 7.691 -3.208 1.566 1.00 0.00 C ATOM 124 O THR A 9 7.333 -2.457 0.681 1.00 0.00 O ATOM 125 CB THR A 9 7.531 -2.730 3.994 1.00 0.00 C ATOM 126 OG1 THR A 9 6.493 -1.830 3.649 1.00 0.00 O ATOM 127 CG2 THR A 9 8.117 -2.022 5.195 1.00 0.00 C ATOM 0 H THR A 9 8.115 -0.558 2.794 1.00 0.00 H new ATOM 0 HA THR A 9 9.352 -3.239 2.986 1.00 0.00 H new ATOM 0 HB THR A 9 7.299 -3.771 4.219 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.691 -2.335 3.400 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.426 -2.097 6.034 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.066 -2.486 5.464 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.282 -0.972 4.954 1.00 0.00 H new ATOM 135 N TYR A 10 7.460 -4.490 1.533 1.00 0.00 N ATOM 136 CA TYR A 10 6.710 -5.027 0.347 1.00 0.00 C ATOM 137 C TYR A 10 5.476 -5.931 0.646 1.00 0.00 C ATOM 138 O TYR A 10 5.372 -7.066 0.209 1.00 0.00 O ATOM 139 CB TYR A 10 7.807 -5.724 -0.511 1.00 0.00 C ATOM 140 CG TYR A 10 8.048 -7.178 -0.111 1.00 0.00 C ATOM 141 CD1 TYR A 10 8.111 -7.601 1.205 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.179 -8.103 -1.120 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.296 -8.932 1.495 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.363 -9.430 -0.825 1.00 0.00 C ATOM 145 CZ TYR A 10 8.421 -9.850 0.481 1.00 0.00 C ATOM 146 OH TYR A 10 8.588 -11.183 0.769 1.00 0.00 O ATOM 0 H TYR A 10 7.741 -5.170 2.239 1.00 0.00 H new ATOM 0 HA TYR A 10 6.209 -4.212 -0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.517 -5.686 -1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.740 -5.168 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.015 -6.884 2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.137 -7.783 -2.151 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.343 -9.257 2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.463 -10.149 -1.625 1.00 0.00 H new ATOM 0 HH TYR A 10 9.516 -11.443 0.590 1.00 0.00 H new ATOM 156 N HIS A 11 4.545 -5.392 1.400 1.00 0.00 N ATOM 157 CA HIS A 11 3.336 -6.209 1.708 1.00 0.00 C ATOM 158 C HIS A 11 2.398 -5.753 0.592 1.00 0.00 C ATOM 159 O HIS A 11 1.759 -4.711 0.657 1.00 0.00 O ATOM 160 CB HIS A 11 2.691 -5.860 3.048 1.00 0.00 C ATOM 161 CG HIS A 11 1.753 -7.007 3.445 1.00 0.00 C ATOM 162 ND1 HIS A 11 2.165 -8.187 3.756 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.371 -7.102 3.561 1.00 0.00 C ATOM 164 CE1 HIS A 11 1.158 -8.953 4.042 1.00 0.00 C ATOM 165 NE2 HIS A 11 0.023 -8.315 3.934 1.00 0.00 N ATOM 0 H HIS A 11 4.569 -4.455 1.801 1.00 0.00 H new ATOM 0 HA HIS A 11 3.560 -7.274 1.767 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.456 -5.714 3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.136 -4.925 2.970 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.320 -6.294 3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.247 -9.989 4.333 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.917 -8.675 4.101 1.00 0.00 H new ATOM 173 N TYR A 12 2.447 -6.616 -0.379 1.00 0.00 N ATOM 174 CA TYR A 12 1.680 -6.548 -1.648 1.00 0.00 C ATOM 175 C TYR A 12 0.322 -7.250 -1.433 1.00 0.00 C ATOM 176 O TYR A 12 0.108 -8.383 -1.813 1.00 0.00 O ATOM 177 CB TYR A 12 2.590 -7.233 -2.668 1.00 0.00 C ATOM 178 CG TYR A 12 3.213 -8.599 -2.216 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.740 -9.361 -1.147 1.00 0.00 C ATOM 180 CD2 TYR A 12 4.303 -9.088 -2.914 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.339 -10.555 -0.803 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.896 -10.285 -2.562 1.00 0.00 C ATOM 183 CZ TYR A 12 4.418 -11.018 -1.509 1.00 0.00 C ATOM 184 OH TYR A 12 5.027 -12.206 -1.180 1.00 0.00 O ATOM 0 H TYR A 12 3.046 -7.440 -0.333 1.00 0.00 H new ATOM 0 HA TYR A 12 1.434 -5.544 -1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.020 -7.400 -3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.402 -6.550 -2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.891 -9.010 -0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.696 -8.525 -3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 12 2.955 -11.128 0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.745 -10.646 -3.123 1.00 0.00 H new ATOM 0 HH TYR A 12 5.774 -12.371 -1.792 1.00 0.00 H new ATOM 194 N TYR A 13 -0.590 -6.548 -0.823 1.00 0.00 N ATOM 195 CA TYR A 13 -1.932 -7.139 -0.544 1.00 0.00 C ATOM 196 C TYR A 13 -2.828 -7.210 -1.824 1.00 0.00 C ATOM 197 O TYR A 13 -2.641 -6.375 -2.691 1.00 0.00 O ATOM 198 CB TYR A 13 -2.488 -6.234 0.583 1.00 0.00 C ATOM 199 CG TYR A 13 -3.550 -6.985 1.359 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.180 -7.900 2.316 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.883 -6.773 1.102 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.138 -8.603 3.009 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.838 -7.476 1.796 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.478 -8.391 2.744 1.00 0.00 C ATOM 205 OH TYR A 13 -6.479 -9.075 3.389 1.00 0.00 O ATOM 0 H TYR A 13 -0.466 -5.587 -0.504 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.895 -8.183 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.682 -5.930 1.251 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.910 -5.323 0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.134 -8.067 2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.180 -6.053 0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.843 -9.321 3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.884 -7.303 1.590 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.349 -8.774 3.054 1.00 0.00 H new ATOM 215 N ARG A 14 -3.731 -8.183 -1.858 1.00 0.00 N ATOM 216 CA ARG A 14 -4.720 -8.467 -2.985 1.00 0.00 C ATOM 217 C ARG A 14 -4.138 -8.720 -4.419 1.00 0.00 C ATOM 218 O ARG A 14 -3.300 -9.589 -4.565 1.00 0.00 O ATOM 219 CB ARG A 14 -5.735 -7.266 -2.895 1.00 0.00 C ATOM 220 CG ARG A 14 -6.807 -7.538 -1.795 1.00 0.00 C ATOM 221 CD ARG A 14 -7.682 -8.760 -2.113 1.00 0.00 C ATOM 222 NE ARG A 14 -7.233 -9.804 -1.132 1.00 0.00 N ATOM 223 CZ ARG A 14 -7.976 -10.229 -0.183 1.00 0.00 C ATOM 224 NH1 ARG A 14 -8.415 -9.341 0.590 1.00 0.00 N ATOM 225 NH2 ARG A 14 -8.211 -11.472 -0.076 1.00 0.00 N ATOM 0 H ARG A 14 -3.829 -8.844 -1.087 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.184 -9.442 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.198 -6.345 -2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.223 -7.122 -3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.309 -7.691 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.442 -6.659 -1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.741 -8.532 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.541 -9.093 -3.141 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.294 -10.191 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.171 -8.363 0.434 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.016 -9.598 1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.807 -12.127 -0.746 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.803 -11.816 0.680 1.00 0.00 H new ATOM 239 N PRO A 15 -4.580 -8.029 -5.456 1.00 0.00 N ATOM 240 CA PRO A 15 -5.954 -8.072 -6.042 1.00 0.00 C ATOM 241 C PRO A 15 -6.088 -9.434 -6.758 1.00 0.00 C ATOM 242 O PRO A 15 -7.150 -10.038 -6.798 1.00 0.00 O ATOM 243 CB PRO A 15 -5.947 -6.802 -6.929 1.00 0.00 C ATOM 244 CG PRO A 15 -4.505 -6.753 -7.450 1.00 0.00 C ATOM 245 CD PRO A 15 -3.702 -7.082 -6.204 1.00 0.00 C ATOM 0 HA PRO A 15 -6.818 -8.038 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.668 -6.874 -7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.200 -5.909 -6.357 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.335 -7.477 -8.247 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.250 -5.772 -7.851 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.744 -7.537 -6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.487 -6.188 -5.619 1.00 0.00 H new ATOM 253 N ALA A 16 -4.960 -9.841 -7.298 1.00 0.00 N ATOM 254 CA ALA A 16 -4.829 -11.133 -8.041 1.00 0.00 C ATOM 255 C ALA A 16 -5.518 -12.222 -7.212 1.00 0.00 C ATOM 256 O ALA A 16 -6.446 -12.839 -7.676 1.00 0.00 O ATOM 257 CB ALA A 16 -3.345 -11.447 -8.214 1.00 0.00 C ATOM 0 H ALA A 16 -4.093 -9.306 -7.250 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.292 -11.077 -9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.233 -12.387 -8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.867 -10.645 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.875 -11.533 -7.234 1.00 0.00 H new ATOM 263 N GLN A 17 -5.023 -12.411 -6.012 1.00 0.00 N ATOM 264 CA GLN A 17 -5.552 -13.415 -5.030 1.00 0.00 C ATOM 265 C GLN A 17 -7.111 -13.549 -5.086 1.00 0.00 C ATOM 266 O GLN A 17 -7.668 -14.617 -4.945 1.00 0.00 O ATOM 267 CB GLN A 17 -5.112 -12.966 -3.597 1.00 0.00 C ATOM 268 CG GLN A 17 -3.543 -12.764 -3.432 1.00 0.00 C ATOM 269 CD GLN A 17 -3.150 -12.329 -2.001 1.00 0.00 C ATOM 270 OE1 GLN A 17 -2.247 -11.555 -1.782 1.00 0.00 O ATOM 271 NE2 GLN A 17 -3.774 -12.786 -0.967 1.00 0.00 N ATOM 0 H GLN A 17 -4.229 -11.879 -5.655 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.145 -14.394 -5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.616 -12.031 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.449 -13.710 -2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.032 -13.695 -3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.200 -12.013 -4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.545 -13.443 -1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.496 -12.490 -0.031 1.00 0.00 H new ATOM 280 N ASN A 18 -7.771 -12.439 -5.300 1.00 0.00 N ATOM 281 CA ASN A 18 -9.277 -12.387 -5.369 1.00 0.00 C ATOM 282 C ASN A 18 -9.773 -11.982 -6.774 1.00 0.00 C ATOM 283 O ASN A 18 -10.865 -11.498 -6.928 1.00 0.00 O ATOM 284 CB ASN A 18 -9.635 -11.373 -4.258 1.00 0.00 C ATOM 285 CG ASN A 18 -11.097 -11.198 -3.893 1.00 0.00 C ATOM 286 OD1 ASN A 18 -11.387 -10.738 -2.814 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.062 -11.502 -4.686 1.00 0.00 N ATOM 0 H ASN A 18 -7.320 -11.534 -5.435 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.763 -13.350 -5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.099 -11.665 -3.355 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.248 -10.399 -4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.028 -11.352 -4.395 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.862 -11.893 -5.607 1.00 0.00 H new ATOM 294 N ASN A 19 -8.986 -12.191 -7.791 1.00 0.00 N ATOM 295 CA ASN A 19 -9.397 -11.805 -9.191 1.00 0.00 C ATOM 296 C ASN A 19 -9.996 -10.364 -9.186 1.00 0.00 C ATOM 297 O ASN A 19 -10.916 -10.028 -9.903 1.00 0.00 O ATOM 298 CB ASN A 19 -10.441 -12.809 -9.662 1.00 0.00 C ATOM 299 CG ASN A 19 -10.487 -12.878 -11.168 1.00 0.00 C ATOM 300 OD1 ASN A 19 -9.988 -12.051 -11.900 1.00 0.00 O ATOM 301 ND2 ASN A 19 -11.088 -13.892 -11.681 1.00 0.00 N ATOM 0 H ASN A 19 -8.062 -12.617 -7.722 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.538 -11.814 -9.861 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.211 -13.794 -9.257 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.421 -12.527 -9.278 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.141 -13.994 -12.694 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.512 -14.594 -11.075 1.00 0.00 H new ATOM 308 N TRP A 20 -9.405 -9.561 -8.341 1.00 0.00 N ATOM 309 CA TRP A 20 -9.785 -8.125 -8.133 1.00 0.00 C ATOM 310 C TRP A 20 -11.310 -8.024 -7.870 1.00 0.00 C ATOM 311 O TRP A 20 -11.855 -6.947 -7.936 1.00 0.00 O ATOM 312 CB TRP A 20 -9.382 -7.249 -9.420 1.00 0.00 C ATOM 313 CG TRP A 20 -7.854 -7.191 -9.738 1.00 0.00 C ATOM 314 CD1 TRP A 20 -7.166 -8.323 -9.731 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.010 -6.184 -10.108 1.00 0.00 C ATOM 316 NE1 TRP A 20 -5.934 -7.988 -10.113 1.00 0.00 N ATOM 317 CE2 TRP A 20 -5.765 -6.713 -10.355 1.00 0.00 C ATOM 318 CE3 TRP A 20 -7.143 -4.831 -10.270 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -4.707 -5.951 -10.750 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -6.084 -4.054 -10.672 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.861 -4.608 -10.914 1.00 0.00 C ATOM 0 H TRP A 20 -8.628 -9.860 -7.751 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.247 -7.735 -7.269 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -9.902 -7.651 -10.290 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -9.745 -6.231 -9.274 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -7.527 -9.307 -9.471 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -5.183 -8.671 -10.209 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -8.099 -4.366 -10.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.747 -6.412 -10.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.221 -2.990 -10.798 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -4.031 -3.993 -11.230 1.00 0.00 H new ATOM 332 N ASP A 21 -11.976 -9.103 -7.539 1.00 0.00 N ATOM 333 CA ASP A 21 -13.448 -9.111 -7.269 1.00 0.00 C ATOM 334 C ASP A 21 -13.690 -8.617 -5.821 1.00 0.00 C ATOM 335 O ASP A 21 -14.527 -9.080 -5.076 1.00 0.00 O ATOM 336 CB ASP A 21 -13.916 -10.593 -7.517 1.00 0.00 C ATOM 337 CG ASP A 21 -15.429 -10.708 -7.693 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.942 -9.852 -8.389 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.977 -11.646 -7.135 1.00 0.00 O ATOM 0 H ASP A 21 -11.538 -10.019 -7.441 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.020 -8.444 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.420 -10.983 -8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.603 -11.214 -6.678 1.00 0.00 H new ATOM 344 N LEU A 22 -12.896 -7.636 -5.486 1.00 0.00 N ATOM 345 CA LEU A 22 -12.854 -6.921 -4.185 1.00 0.00 C ATOM 346 C LEU A 22 -14.166 -6.749 -3.394 1.00 0.00 C ATOM 347 O LEU A 22 -14.128 -6.489 -2.205 1.00 0.00 O ATOM 348 CB LEU A 22 -12.224 -5.573 -4.491 1.00 0.00 C ATOM 349 CG LEU A 22 -10.748 -5.655 -5.031 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.354 -4.151 -5.053 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.863 -6.290 -3.960 1.00 0.00 C ATOM 0 H LEU A 22 -12.205 -7.271 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.289 -7.551 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.840 -5.056 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.234 -4.967 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.652 -6.204 -5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.331 -4.048 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.029 -3.608 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.426 -3.741 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.838 -6.351 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.891 -5.681 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.228 -7.292 -3.733 1.00 0.00 H new ATOM 363 N GLY A 23 -15.268 -6.880 -4.083 1.00 0.00 N ATOM 364 CA GLY A 23 -16.623 -6.746 -3.449 1.00 0.00 C ATOM 365 C GLY A 23 -16.774 -7.887 -2.452 1.00 0.00 C ATOM 366 O GLY A 23 -17.418 -7.759 -1.428 1.00 0.00 O ATOM 0 H GLY A 23 -15.291 -7.079 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.719 -5.783 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.407 -6.791 -4.205 1.00 0.00 H new ATOM 370 N ALA A 24 -16.166 -8.977 -2.841 1.00 0.00 N ATOM 371 CA ALA A 24 -16.121 -10.258 -2.078 1.00 0.00 C ATOM 372 C ALA A 24 -16.006 -10.028 -0.539 1.00 0.00 C ATOM 373 O ALA A 24 -14.915 -9.788 -0.046 1.00 0.00 O ATOM 374 CB ALA A 24 -14.903 -11.081 -2.612 1.00 0.00 C ATOM 0 H ALA A 24 -15.662 -9.029 -3.726 1.00 0.00 H new ATOM 0 HA ALA A 24 -17.053 -10.802 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.839 -12.027 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.034 -11.276 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.985 -10.514 -2.458 1.00 0.00 H new ATOM 380 N PRO A 25 -17.108 -10.110 0.181 1.00 0.00 N ATOM 381 CA PRO A 25 -17.267 -9.529 1.555 1.00 0.00 C ATOM 382 C PRO A 25 -15.945 -9.381 2.341 1.00 0.00 C ATOM 383 O PRO A 25 -15.537 -8.308 2.731 1.00 0.00 O ATOM 384 CB PRO A 25 -18.329 -10.472 2.200 1.00 0.00 C ATOM 385 CG PRO A 25 -18.678 -11.519 1.081 1.00 0.00 C ATOM 386 CD PRO A 25 -18.338 -10.827 -0.230 1.00 0.00 C ATOM 0 HA PRO A 25 -17.593 -8.489 1.548 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.933 -10.962 3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.214 -9.916 2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.100 -12.435 1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.731 -11.799 1.118 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -18.160 -11.532 -1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -19.125 -10.151 -0.563 1.00 0.00 H new ATOM 394 N ALA A 26 -15.336 -10.520 2.540 1.00 0.00 N ATOM 395 CA ALA A 26 -14.031 -10.665 3.271 1.00 0.00 C ATOM 396 C ALA A 26 -13.018 -9.513 3.165 1.00 0.00 C ATOM 397 O ALA A 26 -12.292 -9.212 4.092 1.00 0.00 O ATOM 398 CB ALA A 26 -13.359 -11.967 2.779 1.00 0.00 C ATOM 0 H ALA A 26 -15.710 -11.409 2.207 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.303 -10.669 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.407 -12.101 3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.009 -12.815 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.186 -11.904 1.705 1.00 0.00 H new ATOM 404 N VAL A 27 -13.023 -8.931 2.001 1.00 0.00 N ATOM 405 CA VAL A 27 -12.100 -7.797 1.687 1.00 0.00 C ATOM 406 C VAL A 27 -12.682 -6.394 1.814 1.00 0.00 C ATOM 407 O VAL A 27 -12.352 -5.626 2.692 1.00 0.00 O ATOM 408 CB VAL A 27 -11.586 -7.924 0.226 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.380 -6.993 -0.002 1.00 0.00 C ATOM 410 CG2 VAL A 27 -11.307 -9.387 -0.173 1.00 0.00 C ATOM 0 H VAL A 27 -13.641 -9.197 1.234 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.320 -7.891 2.442 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.380 -7.594 -0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.032 -7.094 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.678 -5.961 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.576 -7.265 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.950 -9.422 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.549 -9.806 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.225 -9.969 -0.087 1.00 0.00 H new ATOM 420 N SER A 28 -13.568 -6.102 0.907 1.00 0.00 N ATOM 421 CA SER A 28 -14.271 -4.795 0.792 1.00 0.00 C ATOM 422 C SER A 28 -13.464 -3.472 1.026 1.00 0.00 C ATOM 423 O SER A 28 -13.841 -2.643 1.834 1.00 0.00 O ATOM 424 CB SER A 28 -15.493 -4.837 1.761 1.00 0.00 C ATOM 425 OG SER A 28 -14.981 -4.804 3.093 1.00 0.00 O ATOM 0 H SER A 28 -13.852 -6.769 0.189 1.00 0.00 H new ATOM 0 HA SER A 28 -14.525 -4.719 -0.265 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.154 -3.989 1.582 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.082 -5.740 1.598 1.00 0.00 H new ATOM 0 HG SER A 28 -14.028 -5.034 3.083 1.00 0.00 H new ATOM 431 N ALA A 29 -12.375 -3.307 0.315 1.00 0.00 N ATOM 432 CA ALA A 29 -11.520 -2.069 0.443 1.00 0.00 C ATOM 433 C ALA A 29 -12.309 -0.748 0.168 1.00 0.00 C ATOM 434 O ALA A 29 -13.378 -0.807 -0.425 1.00 0.00 O ATOM 435 CB ALA A 29 -10.363 -2.285 -0.537 1.00 0.00 C ATOM 0 H ALA A 29 -12.031 -3.987 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.162 -1.938 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.693 -1.426 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.814 -3.184 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.758 -2.399 -1.547 1.00 0.00 H new ATOM 441 N TYR A 30 -11.776 0.397 0.552 1.00 0.00 N ATOM 442 CA TYR A 30 -12.469 1.710 0.350 1.00 0.00 C ATOM 443 C TYR A 30 -13.320 1.869 -0.881 1.00 0.00 C ATOM 444 O TYR A 30 -14.518 2.054 -0.818 1.00 0.00 O ATOM 445 CB TYR A 30 -11.426 2.873 0.351 1.00 0.00 C ATOM 446 CG TYR A 30 -11.747 3.856 1.483 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.976 4.492 1.480 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.845 4.148 2.482 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.301 5.405 2.460 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.171 5.067 3.465 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.399 5.697 3.456 1.00 0.00 C ATOM 452 OH TYR A 30 -12.724 6.621 4.425 1.00 0.00 O ATOM 0 H TYR A 30 -10.867 0.472 1.008 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.164 1.742 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.421 2.472 0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.443 3.390 -0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.689 4.270 0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.882 3.659 2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.265 5.892 2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.459 5.293 4.245 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.978 6.711 5.055 1.00 0.00 H new ATOM 462 N CYS A 31 -12.644 1.781 -1.988 1.00 0.00 N ATOM 463 CA CYS A 31 -13.357 1.926 -3.275 1.00 0.00 C ATOM 464 C CYS A 31 -13.845 0.584 -3.820 1.00 0.00 C ATOM 465 O CYS A 31 -14.659 0.627 -4.705 1.00 0.00 O ATOM 466 CB CYS A 31 -12.413 2.584 -4.301 1.00 0.00 C ATOM 467 SG CYS A 31 -11.169 3.807 -3.811 1.00 0.00 S ATOM 0 H CYS A 31 -11.640 1.617 -2.055 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.235 2.548 -3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.880 1.776 -4.802 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.045 3.061 -5.050 1.00 0.00 H new ATOM 472 N ALA A 32 -13.397 -0.554 -3.337 1.00 0.00 N ATOM 473 CA ALA A 32 -13.869 -1.890 -3.876 1.00 0.00 C ATOM 474 C ALA A 32 -15.300 -1.812 -4.443 1.00 0.00 C ATOM 475 O ALA A 32 -15.565 -2.020 -5.607 1.00 0.00 O ATOM 476 CB ALA A 32 -13.803 -2.924 -2.732 1.00 0.00 C ATOM 0 H ALA A 32 -12.715 -0.622 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.220 -2.186 -4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.139 -3.894 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.776 -3.007 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.447 -2.603 -1.913 1.00 0.00 H new ATOM 482 N THR A 33 -16.151 -1.494 -3.511 1.00 0.00 N ATOM 483 CA THR A 33 -17.627 -1.313 -3.662 1.00 0.00 C ATOM 484 C THR A 33 -18.048 -0.580 -4.933 1.00 0.00 C ATOM 485 O THR A 33 -19.008 -0.929 -5.591 1.00 0.00 O ATOM 486 CB THR A 33 -18.074 -0.553 -2.436 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.505 -1.315 -1.385 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.560 -0.687 -2.168 1.00 0.00 C ATOM 0 H THR A 33 -15.846 -1.337 -2.550 1.00 0.00 H new ATOM 0 HA THR A 33 -18.099 -2.291 -3.753 1.00 0.00 H new ATOM 0 HB THR A 33 -17.810 0.500 -2.535 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.733 -0.906 -0.524 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.821 -0.119 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.120 -0.301 -3.020 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.809 -1.737 -2.016 1.00 0.00 H new ATOM 496 N TRP A 34 -17.269 0.434 -5.205 1.00 0.00 N ATOM 497 CA TRP A 34 -17.443 1.335 -6.383 1.00 0.00 C ATOM 498 C TRP A 34 -16.515 1.023 -7.566 1.00 0.00 C ATOM 499 O TRP A 34 -16.958 1.155 -8.688 1.00 0.00 O ATOM 500 CB TRP A 34 -17.242 2.771 -5.852 1.00 0.00 C ATOM 501 CG TRP A 34 -18.486 3.151 -5.038 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.763 3.132 -5.514 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.505 3.540 -3.750 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.466 3.514 -4.465 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.797 3.782 -3.357 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.462 3.708 -2.868 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -20.058 4.190 -2.071 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.717 4.122 -1.562 1.00 0.00 C ATOM 509 CH2 TRP A 34 -19.025 4.361 -1.170 1.00 0.00 C ATOM 0 H TRP A 34 -16.472 0.687 -4.621 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.437 1.191 -6.806 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.348 2.827 -5.231 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.100 3.467 -6.679 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.112 2.870 -6.502 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.482 3.599 -4.507 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.448 3.519 -3.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -21.076 4.378 -1.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.905 4.255 -0.863 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -19.236 4.681 -0.160 1.00 0.00 H new ATOM 520 N ASP A 35 -15.294 0.625 -7.360 1.00 0.00 N ATOM 521 CA ASP A 35 -14.406 0.318 -8.525 1.00 0.00 C ATOM 522 C ASP A 35 -14.676 -1.090 -9.062 1.00 0.00 C ATOM 523 O ASP A 35 -14.886 -1.225 -10.251 1.00 0.00 O ATOM 524 CB ASP A 35 -12.938 0.426 -8.093 1.00 0.00 C ATOM 525 CG ASP A 35 -12.553 1.894 -7.915 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.284 2.597 -7.243 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.524 2.239 -8.464 1.00 0.00 O ATOM 0 H ASP A 35 -14.868 0.498 -6.442 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.615 1.037 -9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.784 -0.115 -7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.295 -0.039 -8.840 1.00 0.00 H new ATOM 532 N ALA A 36 -14.676 -2.071 -8.181 1.00 0.00 N ATOM 533 CA ALA A 36 -14.927 -3.506 -8.572 1.00 0.00 C ATOM 534 C ALA A 36 -16.126 -3.558 -9.570 1.00 0.00 C ATOM 535 O ALA A 36 -16.231 -4.426 -10.408 1.00 0.00 O ATOM 536 CB ALA A 36 -15.249 -4.304 -7.308 1.00 0.00 C ATOM 0 H ALA A 36 -14.509 -1.934 -7.184 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.049 -3.934 -9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.434 -5.345 -7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.407 -4.248 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.137 -3.888 -6.831 1.00 0.00 H new ATOM 542 N SER A 37 -17.005 -2.597 -9.408 1.00 0.00 N ATOM 543 CA SER A 37 -18.235 -2.451 -10.265 1.00 0.00 C ATOM 544 C SER A 37 -17.905 -2.457 -11.772 1.00 0.00 C ATOM 545 O SER A 37 -18.672 -2.984 -12.556 1.00 0.00 O ATOM 546 CB SER A 37 -18.964 -1.120 -9.947 1.00 0.00 C ATOM 547 OG SER A 37 -18.224 -0.126 -10.652 1.00 0.00 O ATOM 0 H SER A 37 -16.919 -1.878 -8.689 1.00 0.00 H new ATOM 0 HA SER A 37 -18.869 -3.308 -10.036 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.003 -1.149 -10.276 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.975 -0.920 -8.875 1.00 0.00 H new ATOM 0 HG SER A 37 -17.828 0.502 -10.012 1.00 0.00 H new ATOM 553 N LYS A 38 -16.787 -1.877 -12.155 1.00 0.00 N ATOM 554 CA LYS A 38 -16.447 -1.867 -13.612 1.00 0.00 C ATOM 555 C LYS A 38 -16.029 -3.269 -14.077 1.00 0.00 C ATOM 556 O LYS A 38 -15.656 -4.089 -13.267 1.00 0.00 O ATOM 557 CB LYS A 38 -15.281 -0.851 -13.845 1.00 0.00 C ATOM 558 CG LYS A 38 -15.852 0.576 -13.917 1.00 0.00 C ATOM 559 CD LYS A 38 -14.666 1.563 -14.156 1.00 0.00 C ATOM 560 CE LYS A 38 -15.156 2.919 -14.673 1.00 0.00 C ATOM 561 NZ LYS A 38 -16.160 3.453 -13.705 1.00 0.00 N ATOM 0 H LYS A 38 -16.114 -1.423 -11.538 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.322 -1.568 -14.189 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.554 -0.923 -13.036 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.754 -1.091 -14.769 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.580 0.654 -14.724 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.373 0.824 -12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.117 1.705 -13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.970 1.129 -14.874 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.320 3.611 -14.775 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.602 2.810 -15.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.279 4.475 -13.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.071 2.973 -13.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.830 3.284 -12.733 1.00 0.00 H new ATOM 575 N PRO A 39 -16.093 -3.542 -15.368 1.00 0.00 N ATOM 576 CA PRO A 39 -15.308 -4.680 -15.934 1.00 0.00 C ATOM 577 C PRO A 39 -13.865 -4.564 -15.362 1.00 0.00 C ATOM 578 O PRO A 39 -13.351 -3.468 -15.196 1.00 0.00 O ATOM 579 CB PRO A 39 -15.454 -4.491 -17.475 1.00 0.00 C ATOM 580 CG PRO A 39 -16.045 -3.053 -17.667 1.00 0.00 C ATOM 581 CD PRO A 39 -16.896 -2.824 -16.398 1.00 0.00 C ATOM 0 HA PRO A 39 -15.632 -5.689 -15.679 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.491 -4.589 -17.975 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.113 -5.246 -17.902 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.256 -2.306 -17.758 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -16.651 -2.988 -18.571 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.009 -1.765 -16.165 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.900 -3.237 -16.497 1.00 0.00 H new ATOM 589 N LEU A 40 -13.169 -5.643 -15.096 1.00 0.00 N ATOM 590 CA LEU A 40 -11.781 -5.487 -14.518 1.00 0.00 C ATOM 591 C LEU A 40 -10.882 -5.402 -15.777 1.00 0.00 C ATOM 592 O LEU A 40 -9.775 -5.913 -15.860 1.00 0.00 O ATOM 593 CB LEU A 40 -11.346 -6.746 -13.763 1.00 0.00 C ATOM 594 CG LEU A 40 -12.392 -7.834 -13.776 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.147 -8.376 -15.240 1.00 0.00 C ATOM 596 CD2 LEU A 40 -12.016 -8.949 -12.815 1.00 0.00 C ATOM 0 H LEU A 40 -13.483 -6.602 -15.246 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.729 -4.639 -13.835 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.426 -7.129 -14.206 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.117 -6.483 -12.730 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.398 -7.507 -13.514 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.834 -9.197 -15.444 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.317 -7.574 -15.958 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.120 -8.732 -15.329 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.782 -9.724 -12.839 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.058 -9.377 -13.111 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.937 -8.547 -11.805 1.00 0.00 H new ATOM 608 N SER A 41 -11.383 -4.719 -16.753 1.00 0.00 N ATOM 609 CA SER A 41 -10.608 -4.577 -17.986 1.00 0.00 C ATOM 610 C SER A 41 -9.771 -3.327 -17.808 1.00 0.00 C ATOM 611 O SER A 41 -8.559 -3.388 -18.046 1.00 0.00 O ATOM 612 CB SER A 41 -11.585 -4.456 -19.148 1.00 0.00 C ATOM 613 OG SER A 41 -12.197 -3.186 -18.952 1.00 0.00 O ATOM 0 H SER A 41 -12.292 -4.257 -16.745 1.00 0.00 H new ATOM 0 HA SER A 41 -9.957 -5.426 -18.193 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.072 -4.508 -20.108 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.321 -5.260 -19.136 1.00 0.00 H new ATOM 0 HG SER A 41 -12.848 -3.023 -19.666 1.00 0.00 H new ATOM 619 N TRP A 42 -10.359 -2.213 -17.343 1.00 0.00 N ATOM 620 CA TRP A 42 -9.433 -1.134 -17.272 1.00 0.00 C ATOM 621 C TRP A 42 -8.349 -1.343 -16.265 1.00 0.00 C ATOM 622 O TRP A 42 -7.296 -0.726 -16.229 1.00 0.00 O ATOM 623 CB TRP A 42 -9.936 0.180 -16.903 1.00 0.00 C ATOM 624 CG TRP A 42 -9.130 1.119 -17.868 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.449 2.417 -18.043 1.00 0.00 C ATOM 626 CD2 TRP A 42 -8.155 0.772 -18.803 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.699 2.796 -19.064 1.00 0.00 N ATOM 628 CE2 TRP A 42 -7.913 1.883 -19.588 1.00 0.00 C ATOM 629 CE3 TRP A 42 -7.459 -0.447 -19.087 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -7.064 1.849 -20.653 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -6.599 -0.448 -20.193 1.00 0.00 C ATOM 632 CH2 TRP A 42 -6.407 0.687 -20.970 1.00 0.00 C ATOM 0 H TRP A 42 -11.326 -2.063 -17.055 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.112 -1.141 -18.314 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.012 0.263 -17.057 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.745 0.411 -15.855 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -10.154 3.010 -17.480 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.729 3.749 -19.426 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.591 -1.327 -18.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.908 2.737 -21.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.071 -1.355 -20.448 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.743 0.655 -21.821 1.00 0.00 H new ATOM 643 N ARG A 43 -8.683 -2.265 -15.418 1.00 0.00 N ATOM 644 CA ARG A 43 -7.747 -2.623 -14.350 1.00 0.00 C ATOM 645 C ARG A 43 -6.763 -3.735 -14.684 1.00 0.00 C ATOM 646 O ARG A 43 -5.715 -3.698 -14.080 1.00 0.00 O ATOM 647 CB ARG A 43 -8.598 -3.016 -13.106 1.00 0.00 C ATOM 648 CG ARG A 43 -9.075 -4.408 -13.482 1.00 0.00 C ATOM 649 CD ARG A 43 -8.113 -5.517 -12.920 1.00 0.00 C ATOM 650 NE ARG A 43 -8.119 -6.701 -13.850 1.00 0.00 N ATOM 651 CZ ARG A 43 -7.836 -7.895 -13.448 1.00 0.00 C ATOM 652 NH1 ARG A 43 -6.918 -8.078 -12.593 1.00 0.00 N ATOM 653 NH2 ARG A 43 -8.511 -8.845 -13.944 1.00 0.00 N ATOM 0 H ARG A 43 -9.563 -2.781 -15.425 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.113 -1.754 -14.173 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.006 -3.020 -12.191 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.429 -2.329 -12.945 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.081 -4.566 -13.094 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.135 -4.493 -14.567 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.102 -5.122 -12.823 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.433 -5.821 -11.924 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.355 -6.555 -14.832 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.401 -7.281 -12.221 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.696 -9.022 -12.277 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.241 -8.649 -14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.325 -9.806 -13.658 1.00 0.00 H new ATOM 667 N SER A 44 -7.022 -4.715 -15.559 1.00 0.00 N ATOM 668 CA SER A 44 -5.849 -5.677 -15.726 1.00 0.00 C ATOM 669 C SER A 44 -4.734 -4.719 -16.228 1.00 0.00 C ATOM 670 O SER A 44 -3.572 -5.038 -16.081 1.00 0.00 O ATOM 671 CB SER A 44 -6.042 -6.744 -16.841 1.00 0.00 C ATOM 672 OG SER A 44 -6.153 -6.010 -18.064 1.00 0.00 O ATOM 0 H SER A 44 -7.872 -4.880 -16.097 1.00 0.00 H new ATOM 0 HA SER A 44 -5.676 -6.233 -14.804 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.198 -7.434 -16.873 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.935 -7.342 -16.661 1.00 0.00 H new ATOM 0 HG SER A 44 -6.276 -6.634 -18.810 1.00 0.00 H new ATOM 678 N LYS A 45 -5.139 -3.602 -16.810 1.00 0.00 N ATOM 679 CA LYS A 45 -4.140 -2.575 -17.308 1.00 0.00 C ATOM 680 C LYS A 45 -3.442 -1.744 -16.184 1.00 0.00 C ATOM 681 O LYS A 45 -2.235 -1.796 -16.027 1.00 0.00 O ATOM 682 CB LYS A 45 -4.907 -1.685 -18.198 1.00 0.00 C ATOM 683 CG LYS A 45 -4.222 -0.343 -18.498 1.00 0.00 C ATOM 684 CD LYS A 45 -5.059 0.848 -17.794 1.00 0.00 C ATOM 685 CE LYS A 45 -4.918 2.129 -18.637 1.00 0.00 C ATOM 686 NZ LYS A 45 -3.612 2.837 -18.404 1.00 0.00 N ATOM 0 H LYS A 45 -6.117 -3.355 -16.963 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.318 -3.090 -17.806 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.091 -2.203 -19.139 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.879 -1.490 -17.746 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.197 -0.353 -18.127 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.169 -0.180 -19.574 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.109 0.569 -17.707 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.690 1.021 -16.783 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.005 1.875 -19.693 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.740 2.805 -18.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.533 3.643 -19.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.573 3.180 -17.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.825 2.178 -18.572 1.00 0.00 H new ATOM 700 N TYR A 46 -4.220 -0.983 -15.450 1.00 0.00 N ATOM 701 CA TYR A 46 -3.643 -0.138 -14.341 1.00 0.00 C ATOM 702 C TYR A 46 -3.765 -0.894 -13.021 1.00 0.00 C ATOM 703 O TYR A 46 -4.091 -2.056 -12.946 1.00 0.00 O ATOM 704 CB TYR A 46 -4.427 1.222 -14.174 1.00 0.00 C ATOM 705 CG TYR A 46 -3.595 2.498 -14.405 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.361 2.685 -13.812 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.101 3.504 -15.209 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.662 3.859 -14.028 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.393 4.677 -15.417 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.171 4.853 -14.824 1.00 0.00 C ATOM 711 OH TYR A 46 -1.456 6.013 -15.020 1.00 0.00 O ATOM 0 H TYR A 46 -5.230 -0.907 -15.567 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.604 0.072 -14.596 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.266 1.225 -14.869 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.846 1.259 -13.168 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.943 1.915 -13.180 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.063 3.373 -15.682 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.698 3.995 -13.561 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.805 5.452 -16.046 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.716 6.675 -14.346 1.00 0.00 H new ATOM 721 N GLY A 47 -3.482 -0.156 -11.992 1.00 0.00 N ATOM 722 CA GLY A 47 -3.551 -0.707 -10.625 1.00 0.00 C ATOM 723 C GLY A 47 -4.871 -0.235 -10.022 1.00 0.00 C ATOM 724 O GLY A 47 -5.883 -0.134 -10.687 1.00 0.00 O ATOM 0 H GLY A 47 -3.201 0.823 -12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.503 -1.796 -10.645 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.708 -0.362 -10.027 1.00 0.00 H new ATOM 728 N TRP A 48 -4.757 0.047 -8.765 1.00 0.00 N ATOM 729 CA TRP A 48 -5.851 0.526 -7.841 1.00 0.00 C ATOM 730 C TRP A 48 -5.163 0.048 -6.628 1.00 0.00 C ATOM 731 O TRP A 48 -5.643 -0.746 -5.873 1.00 0.00 O ATOM 732 CB TRP A 48 -7.106 -0.253 -8.131 1.00 0.00 C ATOM 733 CG TRP A 48 -6.869 -1.768 -7.919 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.698 -2.504 -7.697 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.915 -2.572 -7.916 1.00 0.00 C ATOM 736 NE1 TRP A 48 -6.203 -3.727 -7.591 1.00 0.00 N ATOM 737 CE2 TRP A 48 -7.509 -3.845 -7.700 1.00 0.00 C ATOM 738 CE3 TRP A 48 -9.245 -2.243 -8.087 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -8.446 -4.824 -7.637 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -10.191 -3.234 -8.026 1.00 0.00 C ATOM 741 CH2 TRP A 48 -9.759 -4.511 -7.793 1.00 0.00 C ATOM 0 H TRP A 48 -3.863 -0.041 -8.282 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.172 1.567 -7.857 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.911 0.089 -7.481 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.425 -0.070 -9.157 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.673 -2.170 -7.631 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.606 -4.538 -7.432 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.537 -1.219 -8.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.150 -5.848 -7.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.240 -3.014 -8.157 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.491 -5.302 -7.731 1.00 0.00 H new ATOM 752 N THR A 49 -4.053 0.624 -6.378 1.00 0.00 N ATOM 753 CA THR A 49 -3.304 0.135 -5.227 1.00 0.00 C ATOM 754 C THR A 49 -3.797 0.650 -3.955 1.00 0.00 C ATOM 755 O THR A 49 -4.124 1.826 -3.822 1.00 0.00 O ATOM 756 CB THR A 49 -1.841 0.570 -5.445 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.917 1.989 -5.577 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.360 0.138 -6.858 1.00 0.00 C ATOM 0 H THR A 49 -3.637 1.393 -6.903 1.00 0.00 H new ATOM 0 HA THR A 49 -3.412 -0.948 -5.162 1.00 0.00 H new ATOM 0 HB THR A 49 -1.205 0.171 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.734 2.314 -5.145 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.326 0.450 -7.001 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.428 -0.946 -6.950 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.989 0.606 -7.615 1.00 0.00 H new ATOM 766 N ALA A 50 -3.883 -0.308 -3.057 1.00 0.00 N ATOM 767 CA ALA A 50 -4.359 0.265 -1.714 1.00 0.00 C ATOM 768 C ALA A 50 -3.100 0.884 -1.108 1.00 0.00 C ATOM 769 O ALA A 50 -2.052 0.717 -1.701 1.00 0.00 O ATOM 770 CB ALA A 50 -4.799 -0.776 -0.671 1.00 0.00 C ATOM 0 H ALA A 50 -3.686 -1.305 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.212 0.914 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.116 -0.267 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.629 -1.360 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.964 -1.439 -0.444 1.00 0.00 H new ATOM 776 N PHE A 51 -3.216 1.580 0.004 1.00 0.00 N ATOM 777 CA PHE A 51 -1.989 2.192 0.615 1.00 0.00 C ATOM 778 C PHE A 51 -1.833 2.398 2.178 1.00 0.00 C ATOM 779 O PHE A 51 -2.762 2.657 2.915 1.00 0.00 O ATOM 780 CB PHE A 51 -1.812 3.537 -0.127 1.00 0.00 C ATOM 781 CG PHE A 51 -0.619 4.345 0.396 1.00 0.00 C ATOM 782 CD1 PHE A 51 0.669 3.921 0.145 1.00 0.00 C ATOM 783 CD2 PHE A 51 -0.818 5.503 1.126 1.00 0.00 C ATOM 784 CE1 PHE A 51 1.746 4.648 0.615 1.00 0.00 C ATOM 785 CE2 PHE A 51 0.255 6.227 1.597 1.00 0.00 C ATOM 786 CZ PHE A 51 1.535 5.801 1.341 1.00 0.00 C ATOM 0 H PHE A 51 -4.088 1.748 0.505 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.216 1.434 0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.678 3.346 -1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.721 4.129 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.837 3.017 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.823 5.842 1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.753 4.313 0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.090 7.129 2.167 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.377 6.369 1.708 1.00 0.00 H new ATOM 796 N CYS A 52 -0.620 2.240 2.621 1.00 0.00 N ATOM 797 CA CYS A 52 -0.206 2.402 4.056 1.00 0.00 C ATOM 798 C CYS A 52 1.331 2.637 4.127 1.00 0.00 C ATOM 799 O CYS A 52 2.083 1.748 4.492 1.00 0.00 O ATOM 800 CB CYS A 52 -0.619 1.138 4.890 1.00 0.00 C ATOM 801 SG CYS A 52 -0.394 -0.550 4.295 1.00 0.00 S ATOM 0 H CYS A 52 0.156 1.988 2.009 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.715 3.266 4.485 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.085 1.205 5.838 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.680 1.248 5.113 1.00 0.00 H new ATOM 806 N GLY A 53 1.731 3.828 3.756 1.00 0.00 N ATOM 807 CA GLY A 53 3.193 4.198 3.771 1.00 0.00 C ATOM 808 C GLY A 53 3.597 5.253 4.812 1.00 0.00 C ATOM 809 O GLY A 53 2.779 6.003 5.305 1.00 0.00 O ATOM 0 H GLY A 53 1.107 4.570 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.777 3.295 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.467 4.565 2.782 1.00 0.00 H new ATOM 813 N PRO A 54 4.880 5.291 5.106 1.00 0.00 N ATOM 814 CA PRO A 54 5.398 5.939 6.347 1.00 0.00 C ATOM 815 C PRO A 54 5.015 7.431 6.348 1.00 0.00 C ATOM 816 O PRO A 54 4.641 7.983 7.361 1.00 0.00 O ATOM 817 CB PRO A 54 6.912 5.642 6.285 1.00 0.00 C ATOM 818 CG PRO A 54 7.166 5.617 4.764 1.00 0.00 C ATOM 819 CD PRO A 54 5.987 4.751 4.263 1.00 0.00 C ATOM 0 HA PRO A 54 4.983 5.570 7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.500 6.411 6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.162 4.692 6.757 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.153 6.617 4.330 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.132 5.176 4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.799 4.882 3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.154 3.687 4.429 1.00 0.00 H new ATOM 827 N ALA A 55 5.128 8.046 5.201 1.00 0.00 N ATOM 828 CA ALA A 55 4.785 9.491 5.063 1.00 0.00 C ATOM 829 C ALA A 55 3.810 9.625 3.876 1.00 0.00 C ATOM 830 O ALA A 55 4.029 9.034 2.836 1.00 0.00 O ATOM 831 CB ALA A 55 6.092 10.265 4.817 1.00 0.00 C ATOM 0 H ALA A 55 5.448 7.601 4.341 1.00 0.00 H new ATOM 0 HA ALA A 55 4.308 9.895 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.872 11.327 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.767 10.116 5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.565 9.901 3.905 1.00 0.00 H new ATOM 837 N GLY A 56 2.772 10.393 4.042 1.00 0.00 N ATOM 838 CA GLY A 56 1.783 10.565 2.926 1.00 0.00 C ATOM 839 C GLY A 56 0.372 10.250 3.405 1.00 0.00 C ATOM 840 O GLY A 56 -0.159 9.201 3.094 1.00 0.00 O ATOM 0 H GLY A 56 2.560 10.910 4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.825 11.587 2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.046 9.909 2.096 1.00 0.00 H new ATOM 844 N PRO A 57 -0.216 11.163 4.141 1.00 0.00 N ATOM 845 CA PRO A 57 -1.553 10.885 4.714 1.00 0.00 C ATOM 846 C PRO A 57 -2.612 11.128 3.627 1.00 0.00 C ATOM 847 O PRO A 57 -3.013 12.238 3.318 1.00 0.00 O ATOM 848 CB PRO A 57 -1.632 11.839 5.927 1.00 0.00 C ATOM 849 CG PRO A 57 -0.569 12.965 5.671 1.00 0.00 C ATOM 850 CD PRO A 57 0.328 12.502 4.496 1.00 0.00 C ATOM 0 HA PRO A 57 -1.726 9.860 5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.632 12.263 6.024 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.420 11.307 6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.060 13.908 5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.030 13.137 6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.273 13.192 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.376 12.443 4.791 1.00 0.00 H new ATOM 858 N ARG A 58 -3.037 10.043 3.045 1.00 0.00 N ATOM 859 CA ARG A 58 -4.067 10.094 1.978 1.00 0.00 C ATOM 860 C ARG A 58 -5.036 8.892 2.088 1.00 0.00 C ATOM 861 O ARG A 58 -4.796 7.838 1.529 1.00 0.00 O ATOM 862 CB ARG A 58 -3.274 10.122 0.693 1.00 0.00 C ATOM 863 CG ARG A 58 -4.070 10.895 -0.401 1.00 0.00 C ATOM 864 CD ARG A 58 -3.505 12.340 -0.554 1.00 0.00 C ATOM 865 NE ARG A 58 -3.427 13.013 0.795 1.00 0.00 N ATOM 866 CZ ARG A 58 -3.501 14.287 0.959 1.00 0.00 C ATOM 867 NH1 ARG A 58 -2.816 15.018 0.173 1.00 0.00 N ATOM 868 NH2 ARG A 58 -4.223 14.790 1.885 1.00 0.00 N ATOM 0 H ARG A 58 -2.705 9.105 3.270 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.719 10.965 2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.309 10.601 0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.071 9.105 0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.002 10.367 -1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.126 10.935 -0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.515 12.305 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.143 12.919 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.309 12.426 1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.239 14.588 -0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.844 16.033 0.266 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.752 14.179 2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.271 15.802 2.002 1.00 0.00 H new ATOM 882 N GLY A 59 -6.102 9.077 2.822 1.00 0.00 N ATOM 883 CA GLY A 59 -7.094 7.952 2.966 1.00 0.00 C ATOM 884 C GLY A 59 -8.380 8.414 2.298 1.00 0.00 C ATOM 885 O GLY A 59 -8.552 8.215 1.115 1.00 0.00 O ATOM 0 H GLY A 59 -6.333 9.936 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.719 7.043 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.266 7.720 4.017 1.00 0.00 H new ATOM 889 N GLN A 60 -9.239 9.022 3.074 1.00 0.00 N ATOM 890 CA GLN A 60 -10.554 9.540 2.562 1.00 0.00 C ATOM 891 C GLN A 60 -10.529 10.062 1.101 1.00 0.00 C ATOM 892 O GLN A 60 -11.089 9.486 0.190 1.00 0.00 O ATOM 893 CB GLN A 60 -10.998 10.648 3.564 1.00 0.00 C ATOM 894 CG GLN A 60 -11.345 9.989 4.943 1.00 0.00 C ATOM 895 CD GLN A 60 -11.791 11.036 5.977 1.00 0.00 C ATOM 896 OE1 GLN A 60 -12.604 11.893 5.722 1.00 0.00 O ATOM 897 NE2 GLN A 60 -11.308 11.027 7.178 1.00 0.00 N ATOM 0 H GLN A 60 -9.084 9.188 4.068 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.265 8.715 2.513 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.202 11.382 3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.865 11.181 3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.137 9.253 4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.474 9.453 5.320 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.619 10.324 7.445 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.617 11.722 7.857 1.00 0.00 H new ATOM 906 N ALA A 61 -9.852 11.165 0.927 1.00 0.00 N ATOM 907 CA ALA A 61 -9.731 11.806 -0.422 1.00 0.00 C ATOM 908 C ALA A 61 -8.497 11.303 -1.234 1.00 0.00 C ATOM 909 O ALA A 61 -7.786 12.081 -1.853 1.00 0.00 O ATOM 910 CB ALA A 61 -9.673 13.319 -0.147 1.00 0.00 C ATOM 0 H ALA A 61 -9.367 11.661 1.675 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.578 11.542 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.584 13.857 -1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.584 13.631 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.810 13.542 0.481 1.00 0.00 H new ATOM 916 N ALA A 62 -8.300 10.011 -1.212 1.00 0.00 N ATOM 917 CA ALA A 62 -7.159 9.398 -1.949 1.00 0.00 C ATOM 918 C ALA A 62 -7.674 8.718 -3.223 1.00 0.00 C ATOM 919 O ALA A 62 -7.079 8.932 -4.257 1.00 0.00 O ATOM 920 CB ALA A 62 -6.482 8.406 -0.991 1.00 0.00 C ATOM 0 H ALA A 62 -8.889 9.348 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.431 10.145 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.638 7.933 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.127 8.937 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.200 7.642 -0.691 1.00 0.00 H new ATOM 926 N CYS A 63 -8.726 7.935 -3.130 1.00 0.00 N ATOM 927 CA CYS A 63 -9.315 7.228 -4.319 1.00 0.00 C ATOM 928 C CYS A 63 -9.277 8.149 -5.579 1.00 0.00 C ATOM 929 O CYS A 63 -10.137 8.981 -5.817 1.00 0.00 O ATOM 930 CB CYS A 63 -10.758 6.801 -3.899 1.00 0.00 C ATOM 931 SG CYS A 63 -11.549 5.487 -4.870 1.00 0.00 S ATOM 0 H CYS A 63 -9.215 7.751 -2.254 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.745 6.344 -4.603 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.726 6.479 -2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.397 7.683 -3.940 1.00 0.00 H new ATOM 936 N GLY A 64 -8.231 7.975 -6.351 1.00 0.00 N ATOM 937 CA GLY A 64 -8.043 8.796 -7.612 1.00 0.00 C ATOM 938 C GLY A 64 -6.600 9.290 -7.797 1.00 0.00 C ATOM 939 O GLY A 64 -6.198 9.613 -8.898 1.00 0.00 O ATOM 0 H GLY A 64 -7.490 7.298 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.329 8.196 -8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.714 9.654 -7.584 1.00 0.00 H new ATOM 943 N LYS A 65 -5.870 9.349 -6.713 1.00 0.00 N ATOM 944 CA LYS A 65 -4.446 9.808 -6.806 1.00 0.00 C ATOM 945 C LYS A 65 -3.630 8.542 -7.103 1.00 0.00 C ATOM 946 O LYS A 65 -4.021 7.433 -6.802 1.00 0.00 O ATOM 947 CB LYS A 65 -3.921 10.412 -5.464 1.00 0.00 C ATOM 948 CG LYS A 65 -4.263 11.906 -5.286 1.00 0.00 C ATOM 949 CD LYS A 65 -5.741 12.060 -4.891 1.00 0.00 C ATOM 950 CE LYS A 65 -6.123 13.539 -4.729 1.00 0.00 C ATOM 951 NZ LYS A 65 -5.235 14.141 -3.673 1.00 0.00 N ATOM 0 H LYS A 65 -6.191 9.103 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.360 10.585 -7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.343 9.849 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.839 10.287 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.625 12.345 -4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.067 12.446 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.373 11.600 -5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.928 11.529 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.002 14.068 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.171 13.632 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.800 14.759 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.807 13.382 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.484 14.699 -4.128 1.00 0.00 H new ATOM 965 N CYS A 66 -2.508 8.748 -7.709 1.00 0.00 N ATOM 966 CA CYS A 66 -1.598 7.632 -8.072 1.00 0.00 C ATOM 967 C CYS A 66 -0.166 7.820 -7.502 1.00 0.00 C ATOM 968 O CYS A 66 0.296 8.928 -7.383 1.00 0.00 O ATOM 969 CB CYS A 66 -1.752 7.614 -9.617 1.00 0.00 C ATOM 970 SG CYS A 66 -3.375 7.008 -10.159 1.00 0.00 S ATOM 0 H CYS A 66 -2.169 9.671 -7.978 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.835 6.660 -7.639 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.598 8.621 -10.004 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.973 6.985 -10.047 1.00 0.00 H new ATOM 975 N LEU A 67 0.529 6.777 -7.139 1.00 0.00 N ATOM 976 CA LEU A 67 1.909 6.969 -6.600 1.00 0.00 C ATOM 977 C LEU A 67 2.838 6.703 -7.777 1.00 0.00 C ATOM 978 O LEU A 67 2.790 5.647 -8.383 1.00 0.00 O ATOM 979 CB LEU A 67 2.277 5.943 -5.454 1.00 0.00 C ATOM 980 CG LEU A 67 1.829 6.394 -4.051 1.00 0.00 C ATOM 981 CD1 LEU A 67 2.264 5.333 -3.016 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.414 7.769 -3.690 1.00 0.00 C ATOM 0 H LEU A 67 0.208 5.810 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 67 1.994 7.967 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.819 4.980 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.356 5.789 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 67 0.743 6.491 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.950 5.646 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.801 4.377 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.349 5.227 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.078 8.057 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.503 7.716 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.077 8.510 -4.415 1.00 0.00 H new ATOM 994 N ARG A 68 3.654 7.671 -8.087 1.00 0.00 N ATOM 995 CA ARG A 68 4.609 7.489 -9.219 1.00 0.00 C ATOM 996 C ARG A 68 5.718 6.792 -8.411 1.00 0.00 C ATOM 997 O ARG A 68 6.159 7.353 -7.418 1.00 0.00 O ATOM 998 CB ARG A 68 5.050 8.861 -9.758 1.00 0.00 C ATOM 999 CG ARG A 68 5.988 8.668 -10.997 1.00 0.00 C ATOM 1000 CD ARG A 68 6.271 10.060 -11.594 1.00 0.00 C ATOM 1001 NE ARG A 68 7.188 9.877 -12.791 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.471 9.740 -12.719 1.00 0.00 C ATOM 1003 NH1 ARG A 68 9.060 10.152 -11.672 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.127 9.191 -13.676 1.00 0.00 N ATOM 0 H ARG A 68 3.703 8.572 -7.612 1.00 0.00 H new ATOM 0 HA ARG A 68 4.261 6.957 -10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.177 9.449 -10.040 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.571 9.418 -8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.918 8.183 -10.700 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.515 8.023 -11.738 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.341 10.542 -11.896 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.738 10.706 -10.851 1.00 0.00 H new ATOM 0 HE ARG A 68 6.761 9.861 -13.717 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.521 10.577 -10.917 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.072 10.058 -11.586 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.636 8.857 -14.505 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.140 9.089 -13.607 1.00 0.00 H new ATOM 1018 N VAL A 69 6.121 5.622 -8.838 1.00 0.00 N ATOM 1019 CA VAL A 69 7.191 4.903 -8.067 1.00 0.00 C ATOM 1020 C VAL A 69 8.421 4.606 -8.897 1.00 0.00 C ATOM 1021 O VAL A 69 8.300 4.216 -10.043 1.00 0.00 O ATOM 1022 CB VAL A 69 6.674 3.551 -7.546 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.719 2.935 -6.564 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.320 3.675 -6.853 1.00 0.00 C ATOM 0 H VAL A 69 5.769 5.140 -9.665 1.00 0.00 H new ATOM 0 HA VAL A 69 7.457 5.576 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 69 6.537 2.897 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.352 1.977 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.664 2.785 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.872 3.612 -5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.999 2.694 -6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.407 4.352 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.586 4.068 -7.556 1.00 0.00 H new ATOM 1034 N THR A 70 9.549 4.809 -8.265 1.00 0.00 N ATOM 1035 CA THR A 70 10.879 4.552 -8.929 1.00 0.00 C ATOM 1036 C THR A 70 11.873 3.882 -7.952 1.00 0.00 C ATOM 1037 O THR A 70 11.832 4.181 -6.768 1.00 0.00 O ATOM 1038 CB THR A 70 11.437 5.881 -9.419 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.598 6.296 -10.492 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.792 5.637 -10.110 1.00 0.00 C ATOM 0 H THR A 70 9.613 5.146 -7.305 1.00 0.00 H new ATOM 0 HA THR A 70 10.736 3.870 -9.767 1.00 0.00 H new ATOM 0 HB THR A 70 11.509 6.581 -8.586 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.916 7.154 -10.843 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.196 6.586 -10.463 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.487 5.188 -9.400 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.653 4.964 -10.956 1.00 0.00 H new ATOM 1048 N ASN A 71 12.716 3.034 -8.484 1.00 0.00 N ATOM 1049 CA ASN A 71 13.741 2.291 -7.668 1.00 0.00 C ATOM 1050 C ASN A 71 15.254 2.584 -7.955 1.00 0.00 C ATOM 1051 O ASN A 71 15.892 1.782 -8.609 1.00 0.00 O ATOM 1052 CB ASN A 71 13.351 0.811 -7.894 1.00 0.00 C ATOM 1053 CG ASN A 71 14.216 -0.141 -7.096 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.601 0.141 -5.988 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.567 -1.294 -7.556 1.00 0.00 N ATOM 0 H ASN A 71 12.741 2.816 -9.480 1.00 0.00 H new ATOM 0 HA ASN A 71 13.702 2.621 -6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.306 0.667 -7.618 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.436 0.573 -8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.142 -1.916 -6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.269 -1.584 -8.488 1.00 0.00 H new ATOM 1062 N PRO A 72 15.803 3.693 -7.474 1.00 0.00 N ATOM 1063 CA PRO A 72 17.161 4.183 -7.898 1.00 0.00 C ATOM 1064 C PRO A 72 18.151 3.018 -8.134 1.00 0.00 C ATOM 1065 O PRO A 72 18.773 2.899 -9.168 1.00 0.00 O ATOM 1066 CB PRO A 72 17.557 5.144 -6.763 1.00 0.00 C ATOM 1067 CG PRO A 72 16.189 5.789 -6.387 1.00 0.00 C ATOM 1068 CD PRO A 72 15.192 4.586 -6.441 1.00 0.00 C ATOM 0 HA PRO A 72 17.167 4.689 -8.863 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.004 4.617 -5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.281 5.888 -7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.218 6.242 -5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.909 6.574 -7.089 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.107 4.088 -5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.189 4.905 -6.725 1.00 0.00 H new ATOM 1076 N ALA A 73 18.241 2.210 -7.108 1.00 0.00 N ATOM 1077 CA ALA A 73 19.107 0.992 -7.044 1.00 0.00 C ATOM 1078 C ALA A 73 19.117 0.080 -8.305 1.00 0.00 C ATOM 1079 O ALA A 73 20.152 -0.445 -8.665 1.00 0.00 O ATOM 1080 CB ALA A 73 18.645 0.200 -5.803 1.00 0.00 C ATOM 0 H ALA A 73 17.708 2.360 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 73 20.142 1.330 -6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.245 -0.705 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.768 0.816 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.595 -0.071 -5.914 1.00 0.00 H new ATOM 1086 N THR A 74 17.980 -0.085 -8.932 1.00 0.00 N ATOM 1087 CA THR A 74 17.838 -0.952 -10.172 1.00 0.00 C ATOM 1088 C THR A 74 17.539 -0.062 -11.386 1.00 0.00 C ATOM 1089 O THR A 74 18.036 -0.299 -12.471 1.00 0.00 O ATOM 1090 CB THR A 74 16.671 -1.956 -10.011 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.591 -1.072 -9.764 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.721 -2.838 -8.766 1.00 0.00 C ATOM 0 H THR A 74 17.109 0.355 -8.636 1.00 0.00 H new ATOM 0 HA THR A 74 18.770 -1.499 -10.313 1.00 0.00 H new ATOM 0 HB THR A 74 16.647 -2.628 -10.869 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.127 -0.880 -10.605 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.856 -3.502 -8.755 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.635 -3.432 -8.778 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.708 -2.211 -7.875 1.00 0.00 H new ATOM 1100 N GLY A 75 16.718 0.934 -11.164 1.00 0.00 N ATOM 1101 CA GLY A 75 16.330 1.906 -12.252 1.00 0.00 C ATOM 1102 C GLY A 75 14.885 1.880 -12.732 1.00 0.00 C ATOM 1103 O GLY A 75 14.480 2.793 -13.425 1.00 0.00 O ATOM 0 H GLY A 75 16.288 1.124 -10.259 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.549 2.913 -11.898 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.974 1.723 -13.112 1.00 0.00 H new ATOM 1107 N ALA A 76 14.135 0.876 -12.374 1.00 0.00 N ATOM 1108 CA ALA A 76 12.718 0.849 -12.861 1.00 0.00 C ATOM 1109 C ALA A 76 11.758 1.852 -12.199 1.00 0.00 C ATOM 1110 O ALA A 76 11.980 2.395 -11.129 1.00 0.00 O ATOM 1111 CB ALA A 76 12.166 -0.572 -12.677 1.00 0.00 C ATOM 0 H ALA A 76 14.424 0.095 -11.785 1.00 0.00 H new ATOM 0 HA ALA A 76 12.763 1.154 -13.906 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.134 -0.610 -13.027 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.770 -1.274 -13.252 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.201 -0.842 -11.622 1.00 0.00 H new ATOM 1117 N GLN A 77 10.702 2.027 -12.940 1.00 0.00 N ATOM 1118 CA GLN A 77 9.599 2.949 -12.561 1.00 0.00 C ATOM 1119 C GLN A 77 8.216 2.544 -13.117 1.00 0.00 C ATOM 1120 O GLN A 77 8.111 1.977 -14.186 1.00 0.00 O ATOM 1121 CB GLN A 77 10.025 4.355 -13.053 1.00 0.00 C ATOM 1122 CG GLN A 77 10.874 4.253 -14.396 1.00 0.00 C ATOM 1123 CD GLN A 77 10.121 3.526 -15.511 1.00 0.00 C ATOM 1124 OE1 GLN A 77 9.150 4.017 -16.033 1.00 0.00 O ATOM 1125 NE2 GLN A 77 10.513 2.365 -15.916 1.00 0.00 N ATOM 0 H GLN A 77 10.554 1.549 -13.829 1.00 0.00 H new ATOM 0 HA GLN A 77 9.458 2.920 -11.481 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.140 4.969 -13.223 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.614 4.851 -12.282 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.136 5.256 -14.733 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.809 3.730 -14.192 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.331 1.926 -15.492 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.005 1.886 -16.660 1.00 0.00 H new ATOM 1134 N ILE A 78 7.220 2.870 -12.333 1.00 0.00 N ATOM 1135 CA ILE A 78 5.783 2.584 -12.660 1.00 0.00 C ATOM 1136 C ILE A 78 4.805 3.690 -12.096 1.00 0.00 C ATOM 1137 O ILE A 78 5.218 4.588 -11.378 1.00 0.00 O ATOM 1138 CB ILE A 78 5.538 1.185 -12.055 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.684 0.294 -12.972 1.00 0.00 C ATOM 1140 CG2 ILE A 78 4.928 1.273 -10.647 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.602 -0.295 -14.065 1.00 0.00 C ATOM 0 H ILE A 78 7.348 3.344 -11.439 1.00 0.00 H new ATOM 0 HA ILE A 78 5.584 2.602 -13.731 1.00 0.00 H new ATOM 0 HB ILE A 78 6.516 0.712 -11.966 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.217 -0.505 -12.397 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.879 0.874 -13.424 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.771 0.268 -10.255 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.607 1.816 -9.990 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.973 1.797 -10.696 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.016 -0.932 -14.728 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.048 0.516 -14.641 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.391 -0.885 -13.599 1.00 0.00 H new ATOM 1153 N THR A 79 3.539 3.578 -12.429 1.00 0.00 N ATOM 1154 CA THR A 79 2.480 4.563 -11.949 1.00 0.00 C ATOM 1155 C THR A 79 1.428 3.746 -11.192 1.00 0.00 C ATOM 1156 O THR A 79 0.639 3.076 -11.831 1.00 0.00 O ATOM 1157 CB THR A 79 1.747 5.262 -13.105 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.686 6.114 -13.730 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.740 6.270 -12.570 1.00 0.00 C ATOM 0 H THR A 79 3.176 2.834 -13.025 1.00 0.00 H new ATOM 0 HA THR A 79 2.973 5.326 -11.346 1.00 0.00 H new ATOM 0 HB THR A 79 1.293 4.494 -13.732 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.258 6.580 -14.478 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.232 6.754 -13.404 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.007 5.757 -11.947 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.259 7.022 -11.975 1.00 0.00 H new ATOM 1167 N ALA A 80 1.396 3.797 -9.889 1.00 0.00 N ATOM 1168 CA ALA A 80 0.381 2.986 -9.095 1.00 0.00 C ATOM 1169 C ALA A 80 -0.896 3.748 -8.703 1.00 0.00 C ATOM 1170 O ALA A 80 -0.833 4.910 -8.379 1.00 0.00 O ATOM 1171 CB ALA A 80 1.112 2.481 -7.843 1.00 0.00 C ATOM 0 H ALA A 80 2.026 4.364 -9.321 1.00 0.00 H new ATOM 0 HA ALA A 80 0.020 2.177 -9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.427 1.890 -7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.958 1.862 -8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.471 3.331 -7.263 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.039 3.113 -8.708 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.277 3.852 -8.348 1.00 0.00 C ATOM 1179 C ARG A 81 -3.716 3.960 -6.867 1.00 0.00 C ATOM 1180 O ARG A 81 -4.405 3.085 -6.394 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.316 3.171 -9.267 1.00 0.00 C ATOM 1182 CG ARG A 81 -4.449 3.952 -10.597 1.00 0.00 C ATOM 1183 CD ARG A 81 -5.567 4.986 -10.380 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.832 4.210 -10.099 1.00 0.00 N ATOM 1185 CZ ARG A 81 -7.292 3.343 -10.926 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -6.819 2.169 -10.886 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -8.185 3.708 -11.740 1.00 0.00 N ATOM 0 H ARG A 81 -2.165 2.128 -8.943 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.126 4.921 -8.495 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.015 2.143 -9.469 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.282 3.127 -8.765 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.511 4.442 -10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.695 3.280 -11.420 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.326 5.647 -9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.688 5.615 -11.262 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.335 4.380 -9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.093 1.935 -10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.164 1.458 -11.530 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.522 4.670 -11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.569 3.040 -12.409 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.331 4.997 -6.157 1.00 0.00 N ATOM 1202 CA ILE A 82 -3.747 5.149 -4.719 1.00 0.00 C ATOM 1203 C ILE A 82 -5.280 5.169 -4.776 1.00 0.00 C ATOM 1204 O ILE A 82 -5.946 6.130 -5.137 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.307 6.494 -4.068 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -1.765 6.631 -4.095 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -3.837 6.498 -2.599 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -1.379 7.927 -3.372 1.00 0.00 C ATOM 0 H ILE A 82 -2.743 5.750 -6.513 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.295 4.352 -4.128 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.716 7.339 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.300 5.773 -3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.404 6.649 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.547 7.428 -2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.924 6.414 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.411 5.654 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.295 8.040 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.837 8.777 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.731 7.887 -2.341 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.782 4.033 -4.423 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.253 3.851 -4.411 1.00 0.00 C ATOM 1222 C VAL A 83 -7.722 3.598 -2.991 1.00 0.00 C ATOM 1223 O VAL A 83 -8.475 4.349 -2.401 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.558 2.670 -5.374 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -8.902 2.019 -5.050 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -7.701 3.282 -6.776 1.00 0.00 C ATOM 0 H VAL A 83 -5.239 3.217 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.790 4.737 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.767 1.924 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.084 1.197 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.885 1.637 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.697 2.758 -5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.917 2.493 -7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.516 4.006 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.772 3.781 -7.052 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.194 2.522 -2.480 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.540 2.076 -1.087 1.00 0.00 C ATOM 1238 C ASP A 84 -6.423 2.393 -0.042 1.00 0.00 C ATOM 1239 O ASP A 84 -5.344 2.835 -0.387 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.816 0.570 -1.225 1.00 0.00 C ATOM 1241 CG ASP A 84 -8.126 0.041 0.162 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -9.040 0.588 0.753 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -7.428 -0.866 0.551 1.00 0.00 O ATOM 0 H ASP A 84 -6.529 1.921 -2.967 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.402 2.616 -0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.653 0.393 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.952 0.058 -1.648 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.743 2.163 1.212 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.814 2.386 2.372 1.00 0.00 C ATOM 1250 C GLN A 85 -5.790 1.101 3.223 1.00 0.00 C ATOM 1251 O GLN A 85 -6.774 0.392 3.305 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.310 3.544 3.268 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.439 3.620 4.628 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.154 3.020 5.866 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -7.044 2.205 5.805 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -5.823 3.379 7.061 1.00 0.00 N ATOM 0 H GLN A 85 -7.659 1.811 1.491 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.825 2.635 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.235 4.488 2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.363 3.399 3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.497 3.094 4.474 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.193 4.662 4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.080 4.064 7.200 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.305 2.978 7.866 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.669 0.841 3.839 1.00 0.00 N ATOM 1266 CA CYS A 86 -4.527 -0.376 4.711 1.00 0.00 C ATOM 1267 C CYS A 86 -4.307 0.102 6.174 1.00 0.00 C ATOM 1268 O CYS A 86 -3.880 1.215 6.414 1.00 0.00 O ATOM 1269 CB CYS A 86 -3.342 -1.230 4.196 1.00 0.00 C ATOM 1270 SG CYS A 86 -1.893 -1.510 5.248 1.00 0.00 S ATOM 0 H CYS A 86 -3.833 1.422 3.779 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.421 -0.998 4.679 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.741 -2.209 3.929 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.988 -0.768 3.274 1.00 0.00 H new ATOM 1275 N ALA A 87 -4.598 -0.754 7.122 1.00 0.00 N ATOM 1276 CA ALA A 87 -4.465 -0.455 8.579 1.00 0.00 C ATOM 1277 C ALA A 87 -3.389 0.568 8.989 1.00 0.00 C ATOM 1278 O ALA A 87 -3.629 1.741 9.200 1.00 0.00 O ATOM 1279 CB ALA A 87 -4.254 -1.846 9.264 1.00 0.00 C ATOM 0 H ALA A 87 -4.940 -1.696 6.931 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.367 0.060 8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.148 -1.709 10.340 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.114 -2.485 9.063 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.353 -2.314 8.867 1.00 0.00 H new ATOM 1285 N ASN A 88 -2.213 0.044 9.101 1.00 0.00 N ATOM 1286 CA ASN A 88 -1.040 0.894 9.493 1.00 0.00 C ATOM 1287 C ASN A 88 0.296 0.247 9.106 1.00 0.00 C ATOM 1288 O ASN A 88 1.230 0.253 9.879 1.00 0.00 O ATOM 1289 CB ASN A 88 -1.078 1.184 11.049 1.00 0.00 C ATOM 1290 CG ASN A 88 -0.900 -0.036 11.937 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -0.304 0.023 12.985 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -1.392 -1.178 11.602 1.00 0.00 N ATOM 0 H ASN A 88 -1.999 -0.940 8.940 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.116 1.833 8.945 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.296 1.905 11.288 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.031 1.655 11.292 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.270 -1.985 12.214 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.904 -1.275 10.725 1.00 0.00 H new ATOM 1299 N GLY A 89 0.374 -0.298 7.921 1.00 0.00 N ATOM 1300 CA GLY A 89 1.656 -0.947 7.495 1.00 0.00 C ATOM 1301 C GLY A 89 1.495 -2.182 6.615 1.00 0.00 C ATOM 1302 O GLY A 89 0.610 -3.006 6.745 1.00 0.00 O ATOM 0 H GLY A 89 -0.381 -0.324 7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.256 -0.213 6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.218 -1.226 8.387 1.00 0.00 H new ATOM 1306 N GLY A 90 2.445 -2.250 5.729 1.00 0.00 N ATOM 1307 CA GLY A 90 2.548 -3.345 4.713 1.00 0.00 C ATOM 1308 C GLY A 90 3.012 -2.673 3.409 1.00 0.00 C ATOM 1309 O GLY A 90 4.035 -3.067 2.887 1.00 0.00 O ATOM 0 H GLY A 90 3.193 -1.559 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.258 -4.108 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.587 -3.841 4.576 1.00 0.00 H new ATOM 1313 N LEU A 91 2.217 -1.700 3.005 1.00 0.00 N ATOM 1314 CA LEU A 91 2.356 -0.785 1.759 1.00 0.00 C ATOM 1315 C LEU A 91 1.164 -0.438 0.859 1.00 0.00 C ATOM 1316 O LEU A 91 0.623 0.653 0.873 1.00 0.00 O ATOM 1317 CB LEU A 91 3.533 -1.297 0.720 1.00 0.00 C ATOM 1318 CG LEU A 91 4.379 -0.134 0.029 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.578 1.107 -0.450 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.532 0.353 0.936 1.00 0.00 C ATOM 0 H LEU A 91 1.380 -1.466 3.539 1.00 0.00 H new ATOM 0 HA LEU A 91 2.565 0.127 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.217 -1.949 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.070 -1.901 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 91 4.758 -0.621 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.259 1.828 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.835 0.799 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.076 1.567 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.084 1.145 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.123 0.737 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.204 -0.479 1.149 1.00 0.00 H new ATOM 1332 N ASP A 92 0.858 -1.438 0.134 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.264 -1.442 -0.914 1.00 0.00 C ATOM 1334 C ASP A 92 -1.242 -2.639 -1.248 1.00 0.00 C ATOM 1335 O ASP A 92 -1.041 -3.721 -0.725 1.00 0.00 O ATOM 1336 CB ASP A 92 0.588 -0.923 -2.106 1.00 0.00 C ATOM 1337 CG ASP A 92 1.854 -1.799 -2.308 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.831 -2.972 -1.949 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.805 -1.226 -2.820 1.00 0.00 O ATOM 0 H ASP A 92 1.347 -2.331 0.198 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.124 -0.894 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.012 -0.929 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.882 0.111 -1.925 1.00 0.00 H new ATOM 1344 N LEU A 93 -2.275 -2.485 -2.103 1.00 0.00 N ATOM 1345 CA LEU A 93 -3.174 -3.684 -2.390 1.00 0.00 C ATOM 1346 C LEU A 93 -2.802 -3.987 -3.840 1.00 0.00 C ATOM 1347 O LEU A 93 -3.538 -3.878 -4.781 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.751 -3.345 -2.234 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.745 -3.854 -3.363 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -7.188 -4.080 -2.850 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.904 -2.669 -4.284 1.00 0.00 C ATOM 0 H LEU A 93 -2.518 -1.621 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.028 -4.513 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.088 -3.759 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.853 -2.262 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.348 -4.780 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.816 -4.427 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.179 -4.829 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.586 -3.143 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.578 -2.930 -5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.317 -1.828 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.932 -2.392 -4.692 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.535 -4.223 -3.917 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.683 -4.576 -5.036 1.00 0.00 C ATOM 1365 C ASP A 94 -0.570 -6.059 -5.236 1.00 0.00 C ATOM 1366 O ASP A 94 -1.456 -6.850 -5.044 1.00 0.00 O ATOM 1367 CB ASP A 94 0.560 -3.729 -4.710 1.00 0.00 C ATOM 1368 CG ASP A 94 0.189 -2.255 -4.988 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -0.982 -1.923 -5.026 1.00 0.00 O ATOM 1370 OD2 ASP A 94 1.117 -1.491 -5.179 1.00 0.00 O ATOM 0 H ASP A 94 -0.975 -4.166 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.033 -4.346 -6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.855 -3.862 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.407 -4.036 -5.324 1.00 0.00 H new ATOM 1375 N TRP A 95 0.648 -6.349 -5.588 1.00 0.00 N ATOM 1376 CA TRP A 95 1.153 -7.718 -5.881 1.00 0.00 C ATOM 1377 C TRP A 95 1.721 -7.723 -7.258 1.00 0.00 C ATOM 1378 O TRP A 95 2.764 -8.290 -7.494 1.00 0.00 O ATOM 1379 CB TRP A 95 0.051 -8.785 -5.853 1.00 0.00 C ATOM 1380 CG TRP A 95 0.829 -10.078 -6.125 1.00 0.00 C ATOM 1381 CD1 TRP A 95 1.682 -10.669 -5.246 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.850 -10.765 -7.277 1.00 0.00 C ATOM 1383 NE1 TRP A 95 2.161 -11.678 -5.944 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.723 -11.817 -7.178 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.173 -10.536 -8.444 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 1.939 -12.646 -8.248 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 0.380 -11.361 -9.524 1.00 0.00 C ATOM 1388 CH2 TRP A 95 1.268 -12.414 -9.426 1.00 0.00 C ATOM 0 H TRP A 95 1.367 -5.633 -5.691 1.00 0.00 H new ATOM 0 HA TRP A 95 1.887 -7.958 -5.111 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.460 -8.814 -4.891 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.709 -8.602 -6.612 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.910 -10.383 -4.230 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.842 -12.324 -5.546 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.520 -9.711 -8.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.629 -13.473 -8.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.151 -11.186 -10.448 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.436 -13.057 -10.277 1.00 0.00 H new ATOM 1399 N ASP A 96 1.001 -7.078 -8.106 1.00 0.00 N ATOM 1400 CA ASP A 96 1.463 -7.027 -9.540 1.00 0.00 C ATOM 1401 C ASP A 96 1.724 -5.641 -10.096 1.00 0.00 C ATOM 1402 O ASP A 96 2.058 -5.474 -11.247 1.00 0.00 O ATOM 1403 CB ASP A 96 0.387 -7.753 -10.399 1.00 0.00 C ATOM 1404 CG ASP A 96 -1.019 -7.191 -10.148 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -1.477 -7.185 -9.010 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -1.569 -6.798 -11.155 1.00 0.00 O ATOM 0 H ASP A 96 0.131 -6.588 -7.898 1.00 0.00 H new ATOM 0 HA ASP A 96 2.437 -7.515 -9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.636 -7.651 -11.455 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.398 -8.819 -10.171 1.00 0.00 H new ATOM 1411 N THR A 97 1.579 -4.674 -9.255 1.00 0.00 N ATOM 1412 CA THR A 97 1.780 -3.244 -9.638 1.00 0.00 C ATOM 1413 C THR A 97 3.202 -2.634 -9.485 1.00 0.00 C ATOM 1414 O THR A 97 3.788 -2.173 -10.459 1.00 0.00 O ATOM 1415 CB THR A 97 0.717 -2.505 -8.808 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.132 -2.842 -7.506 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.636 -3.242 -8.801 1.00 0.00 C ATOM 0 H THR A 97 1.320 -4.810 -8.278 1.00 0.00 H new ATOM 0 HA THR A 97 1.673 -3.142 -10.718 1.00 0.00 H new ATOM 0 HB THR A 97 0.624 -1.472 -9.144 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.337 -2.024 -7.006 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.353 -2.681 -8.202 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.007 -3.331 -9.822 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.506 -4.237 -8.374 1.00 0.00 H new ATOM 1425 N VAL A 98 3.727 -2.634 -8.287 1.00 0.00 N ATOM 1426 CA VAL A 98 5.083 -2.067 -8.039 1.00 0.00 C ATOM 1427 C VAL A 98 6.278 -3.027 -8.171 1.00 0.00 C ATOM 1428 O VAL A 98 6.922 -3.118 -9.189 1.00 0.00 O ATOM 1429 CB VAL A 98 5.020 -1.408 -6.601 1.00 0.00 C ATOM 1430 CG1 VAL A 98 6.382 -0.798 -6.191 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.976 -0.272 -6.553 1.00 0.00 C ATOM 0 H VAL A 98 3.265 -3.009 -7.459 1.00 0.00 H new ATOM 0 HA VAL A 98 5.293 -1.353 -8.836 1.00 0.00 H new ATOM 0 HB VAL A 98 4.747 -2.209 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.298 -0.355 -5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 98 7.141 -1.580 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.667 -0.029 -6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.955 0.161 -5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.243 0.498 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.991 -0.672 -6.795 1.00 0.00 H new ATOM 1441 N PHE A 99 6.520 -3.749 -7.114 1.00 0.00 N ATOM 1442 CA PHE A 99 7.684 -4.745 -7.025 1.00 0.00 C ATOM 1443 C PHE A 99 8.151 -5.599 -8.262 1.00 0.00 C ATOM 1444 O PHE A 99 9.149 -5.287 -8.914 1.00 0.00 O ATOM 1445 CB PHE A 99 7.370 -5.720 -5.805 1.00 0.00 C ATOM 1446 CG PHE A 99 8.557 -5.900 -4.812 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.068 -4.805 -4.132 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.119 -7.144 -4.560 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.108 -4.953 -3.225 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.156 -7.288 -3.657 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.655 -6.195 -2.986 1.00 0.00 C ATOM 0 H PHE A 99 5.953 -3.705 -6.267 1.00 0.00 H new ATOM 0 HA PHE A 99 8.545 -4.084 -6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.509 -5.335 -5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.088 -6.697 -6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.651 -3.825 -4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.740 -8.013 -5.077 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.491 -4.089 -2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.578 -8.266 -3.477 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.465 -6.309 -2.281 1.00 0.00 H new ATOM 1461 N THR A 100 7.365 -6.634 -8.508 1.00 0.00 N ATOM 1462 CA THR A 100 7.619 -7.613 -9.640 1.00 0.00 C ATOM 1463 C THR A 100 7.707 -6.891 -10.970 1.00 0.00 C ATOM 1464 O THR A 100 8.415 -7.278 -11.876 1.00 0.00 O ATOM 1465 CB THR A 100 6.452 -8.728 -9.809 1.00 0.00 C ATOM 1466 OG1 THR A 100 5.605 -8.282 -10.858 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.360 -8.737 -8.739 1.00 0.00 C ATOM 0 H THR A 100 6.534 -6.849 -7.957 1.00 0.00 H new ATOM 0 HA THR A 100 8.555 -8.104 -9.374 1.00 0.00 H new ATOM 0 HB THR A 100 7.008 -9.663 -9.870 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.884 -8.931 -10.995 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.640 -9.524 -8.961 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.809 -8.920 -7.763 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.852 -7.773 -8.729 1.00 0.00 H new ATOM 1475 N LYS A 101 6.935 -5.842 -11.007 1.00 0.00 N ATOM 1476 CA LYS A 101 6.835 -4.984 -12.198 1.00 0.00 C ATOM 1477 C LYS A 101 7.966 -4.069 -12.512 1.00 0.00 C ATOM 1478 O LYS A 101 8.418 -4.041 -13.641 1.00 0.00 O ATOM 1479 CB LYS A 101 5.567 -4.123 -12.096 1.00 0.00 C ATOM 1480 CG LYS A 101 4.458 -4.861 -12.866 1.00 0.00 C ATOM 1481 CD LYS A 101 3.350 -3.850 -13.228 1.00 0.00 C ATOM 1482 CE LYS A 101 2.218 -4.559 -13.978 1.00 0.00 C ATOM 1483 NZ LYS A 101 1.429 -3.501 -14.698 1.00 0.00 N ATOM 0 H LYS A 101 6.352 -5.542 -10.226 1.00 0.00 H new ATOM 0 HA LYS A 101 6.832 -5.709 -13.012 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.282 -3.978 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.738 -3.133 -12.520 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.864 -5.316 -13.769 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.049 -5.668 -12.258 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.961 -3.384 -12.322 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.762 -3.052 -13.845 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.620 -5.286 -14.684 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.581 -5.108 -13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.648 -3.946 -15.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.043 -2.826 -14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.050 -2.998 -15.364 1.00 0.00 H new ATOM 1497 N ILE A 102 8.376 -3.331 -11.522 1.00 0.00 N ATOM 1498 CA ILE A 102 9.490 -2.419 -11.800 1.00 0.00 C ATOM 1499 C ILE A 102 10.644 -3.309 -12.269 1.00 0.00 C ATOM 1500 O ILE A 102 10.949 -3.285 -13.448 1.00 0.00 O ATOM 1501 CB ILE A 102 9.727 -1.555 -10.460 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.902 -2.222 -9.031 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.466 -0.647 -10.412 1.00 0.00 C ATOM 1504 CD1 ILE A 102 10.807 -1.296 -8.194 1.00 0.00 C ATOM 0 H ILE A 102 8.001 -3.323 -10.574 1.00 0.00 H new ATOM 0 HA ILE A 102 9.334 -1.683 -12.588 1.00 0.00 H new ATOM 0 HB ILE A 102 10.719 -1.119 -10.577 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.934 -2.351 -8.547 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.347 -3.213 -9.122 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.513 -0.005 -9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.427 -0.030 -11.310 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.572 -1.268 -10.360 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.949 -1.725 -7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.774 -1.191 -8.686 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.339 -0.316 -8.102 1.00 0.00 H new ATOM 1516 N ASP A 103 11.270 -4.049 -11.407 1.00 0.00 N ATOM 1517 CA ASP A 103 12.381 -4.907 -11.949 1.00 0.00 C ATOM 1518 C ASP A 103 12.812 -6.081 -11.117 1.00 0.00 C ATOM 1519 O ASP A 103 12.662 -7.246 -11.429 1.00 0.00 O ATOM 1520 CB ASP A 103 13.621 -4.017 -12.298 1.00 0.00 C ATOM 1521 CG ASP A 103 13.876 -2.812 -11.442 1.00 0.00 C ATOM 1522 OD1 ASP A 103 13.480 -2.713 -10.294 1.00 0.00 O ATOM 1523 OD2 ASP A 103 14.528 -1.958 -12.005 1.00 0.00 O ATOM 0 H ASP A 103 11.086 -4.108 -10.405 1.00 0.00 H new ATOM 0 HA ASP A 103 11.944 -5.365 -12.836 1.00 0.00 H new ATOM 0 HB2 ASP A 103 14.509 -4.649 -12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.512 -3.680 -13.329 1.00 0.00 H new ATOM 1528 N THR A 104 13.391 -5.600 -10.045 1.00 0.00 N ATOM 1529 CA THR A 104 13.983 -6.399 -8.936 1.00 0.00 C ATOM 1530 C THR A 104 13.355 -7.791 -8.951 1.00 0.00 C ATOM 1531 O THR A 104 12.159 -8.010 -8.904 1.00 0.00 O ATOM 1532 CB THR A 104 13.737 -5.703 -7.537 1.00 0.00 C ATOM 1533 OG1 THR A 104 12.993 -6.596 -6.716 1.00 0.00 O ATOM 1534 CG2 THR A 104 12.738 -4.502 -7.637 1.00 0.00 C ATOM 0 H THR A 104 13.480 -4.596 -9.889 1.00 0.00 H new ATOM 0 HA THR A 104 15.061 -6.472 -9.081 1.00 0.00 H new ATOM 0 HB THR A 104 14.722 -5.409 -7.173 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.832 -6.181 -5.843 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.603 -4.058 -6.651 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.137 -3.753 -8.320 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.777 -4.858 -8.010 1.00 0.00 H new ATOM 1542 N ASN A 105 14.214 -8.753 -8.997 1.00 0.00 N ATOM 1543 CA ASN A 105 13.747 -10.182 -9.043 1.00 0.00 C ATOM 1544 C ASN A 105 13.342 -10.740 -7.671 1.00 0.00 C ATOM 1545 O ASN A 105 13.174 -11.938 -7.545 1.00 0.00 O ATOM 1546 CB ASN A 105 14.900 -11.003 -9.601 1.00 0.00 C ATOM 1547 CG ASN A 105 16.073 -10.749 -8.659 1.00 0.00 C ATOM 1548 OD1 ASN A 105 15.967 -10.910 -7.466 1.00 0.00 O ATOM 1549 ND2 ASN A 105 17.214 -10.341 -9.096 1.00 0.00 N ATOM 0 H ASN A 105 15.226 -8.628 -9.005 1.00 0.00 H new ATOM 0 HA ASN A 105 12.852 -10.234 -9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 105 14.647 -12.063 -9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.141 -10.699 -10.620 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.978 -10.169 -8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.353 -10.190 -10.095 1.00 0.00 H new ATOM 1556 N GLY A 106 13.182 -9.875 -6.709 1.00 0.00 N ATOM 1557 CA GLY A 106 12.805 -10.386 -5.358 1.00 0.00 C ATOM 1558 C GLY A 106 13.925 -10.166 -4.357 1.00 0.00 C ATOM 1559 O GLY A 106 13.596 -10.137 -3.202 1.00 0.00 O ATOM 0 H GLY A 106 13.292 -8.864 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.902 -9.882 -5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.572 -11.449 -5.420 1.00 0.00 H new ATOM 1563 N ILE A 107 15.178 -10.040 -4.747 1.00 0.00 N ATOM 1564 CA ILE A 107 16.326 -9.809 -3.782 1.00 0.00 C ATOM 1565 C ILE A 107 15.852 -9.201 -2.428 1.00 0.00 C ATOM 1566 O ILE A 107 16.055 -9.791 -1.386 1.00 0.00 O ATOM 1567 CB ILE A 107 17.362 -8.867 -4.484 1.00 0.00 C ATOM 1568 CG1 ILE A 107 17.915 -9.428 -5.827 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.560 -8.583 -3.547 1.00 0.00 C ATOM 1570 CD1 ILE A 107 18.581 -10.824 -5.683 1.00 0.00 C ATOM 0 H ILE A 107 15.467 -10.089 -5.724 1.00 0.00 H new ATOM 0 HA ILE A 107 16.782 -10.768 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 107 16.812 -7.953 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 107 17.100 -9.495 -6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 107 18.643 -8.726 -6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.269 -7.927 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 107 18.204 -8.100 -2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.052 -9.521 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 107 18.944 -11.156 -6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 107 19.417 -10.758 -4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 107 17.850 -11.539 -5.306 1.00 0.00 H new ATOM 1582 N GLY A 108 15.229 -8.040 -2.484 1.00 0.00 N ATOM 1583 CA GLY A 108 14.695 -7.318 -1.242 1.00 0.00 C ATOM 1584 C GLY A 108 14.096 -8.316 -0.227 1.00 0.00 C ATOM 1585 O GLY A 108 14.240 -8.230 0.972 1.00 0.00 O ATOM 0 H GLY A 108 15.058 -7.539 -3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.501 -6.756 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.934 -6.596 -1.538 1.00 0.00 H new ATOM 1589 N TYR A 109 13.396 -9.256 -0.775 1.00 0.00 N ATOM 1590 CA TYR A 109 12.715 -10.363 -0.039 1.00 0.00 C ATOM 1591 C TYR A 109 13.550 -10.887 1.149 1.00 0.00 C ATOM 1592 O TYR A 109 13.071 -10.885 2.263 1.00 0.00 O ATOM 1593 CB TYR A 109 12.443 -11.501 -1.064 1.00 0.00 C ATOM 1594 CG TYR A 109 11.779 -12.710 -0.386 1.00 0.00 C ATOM 1595 CD1 TYR A 109 12.502 -13.692 0.268 1.00 0.00 C ATOM 1596 CD2 TYR A 109 10.412 -12.809 -0.417 1.00 0.00 C ATOM 1597 CE1 TYR A 109 11.851 -14.750 0.878 1.00 0.00 C ATOM 1598 CE2 TYR A 109 9.766 -13.863 0.192 1.00 0.00 C ATOM 1599 CZ TYR A 109 10.478 -14.839 0.843 1.00 0.00 C ATOM 1600 OH TYR A 109 9.808 -15.880 1.445 1.00 0.00 O ATOM 0 H TYR A 109 13.255 -9.309 -1.784 1.00 0.00 H new ATOM 0 HA TYR A 109 11.786 -9.990 0.393 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.800 -11.130 -1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.380 -11.809 -1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 109 13.580 -13.632 0.303 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.834 -12.051 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.425 -15.512 1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.688 -13.922 0.157 1.00 0.00 H new ATOM 0 HH TYR A 109 8.843 -15.768 1.313 1.00 0.00 H new ATOM 1610 N GLN A 110 14.774 -11.293 0.888 1.00 0.00 N ATOM 1611 CA GLN A 110 15.645 -11.831 2.002 1.00 0.00 C ATOM 1612 C GLN A 110 16.142 -10.769 3.013 1.00 0.00 C ATOM 1613 O GLN A 110 16.924 -11.059 3.897 1.00 0.00 O ATOM 1614 CB GLN A 110 16.880 -12.568 1.371 1.00 0.00 C ATOM 1615 CG GLN A 110 17.697 -11.627 0.417 1.00 0.00 C ATOM 1616 CD GLN A 110 19.098 -12.169 0.082 1.00 0.00 C ATOM 1617 OE1 GLN A 110 19.634 -11.908 -0.972 1.00 0.00 O ATOM 1618 NE2 GLN A 110 19.761 -12.912 0.909 1.00 0.00 N ATOM 0 H GLN A 110 15.208 -11.278 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 110 15.015 -12.509 2.577 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.531 -12.933 2.166 1.00 0.00 H new ATOM 0 HB3 GLN A 110 16.537 -13.440 0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.139 -11.486 -0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 110 17.796 -10.646 0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 110 19.354 -13.161 1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 110 20.691 -13.249 0.659 1.00 0.00 H new ATOM 1627 N GLN A 111 15.657 -9.577 2.838 1.00 0.00 N ATOM 1628 CA GLN A 111 15.997 -8.401 3.703 1.00 0.00 C ATOM 1629 C GLN A 111 14.712 -8.079 4.492 1.00 0.00 C ATOM 1630 O GLN A 111 14.707 -7.873 5.690 1.00 0.00 O ATOM 1631 CB GLN A 111 16.425 -7.274 2.738 1.00 0.00 C ATOM 1632 CG GLN A 111 16.777 -5.978 3.470 1.00 0.00 C ATOM 1633 CD GLN A 111 17.251 -4.902 2.492 1.00 0.00 C ATOM 1634 OE1 GLN A 111 17.589 -3.806 2.872 1.00 0.00 O ATOM 1635 NE2 GLN A 111 17.314 -5.118 1.216 1.00 0.00 N ATOM 0 H GLN A 111 15.001 -9.352 2.090 1.00 0.00 H new ATOM 0 HA GLN A 111 16.806 -8.560 4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.286 -7.605 2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.619 -7.080 2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.906 -5.618 4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.557 -6.173 4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.041 -6.025 0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 111 17.637 -4.381 0.589 1.00 0.00 H new ATOM 1644 N GLY A 112 13.653 -8.052 3.727 1.00 0.00 N ATOM 1645 CA GLY A 112 12.269 -7.770 4.239 1.00 0.00 C ATOM 1646 C GLY A 112 11.731 -6.483 3.637 1.00 0.00 C ATOM 1647 O GLY A 112 10.567 -6.172 3.769 1.00 0.00 O ATOM 0 H GLY A 112 13.689 -8.221 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.607 -8.599 3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.286 -7.691 5.326 1.00 0.00 H new ATOM 1651 N HIS A 113 12.614 -5.774 2.993 1.00 0.00 N ATOM 1652 CA HIS A 113 12.277 -4.472 2.344 1.00 0.00 C ATOM 1653 C HIS A 113 13.383 -4.016 1.366 1.00 0.00 C ATOM 1654 O HIS A 113 14.449 -4.594 1.277 1.00 0.00 O ATOM 1655 CB HIS A 113 12.075 -3.469 3.497 1.00 0.00 C ATOM 1656 CG HIS A 113 13.293 -3.610 4.398 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.472 -3.169 4.132 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.425 -4.216 5.627 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.279 -3.469 5.098 1.00 0.00 C ATOM 1660 NE2 HIS A 113 14.669 -4.122 6.052 1.00 0.00 N ATOM 0 H HIS A 113 13.590 -6.052 2.885 1.00 0.00 H new ATOM 0 HA HIS A 113 11.377 -4.554 1.734 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.987 -2.451 3.117 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.158 -3.685 4.045 1.00 0.00 H new ATOM 0 HD2 HIS A 113 12.624 -4.699 6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.328 -3.211 5.114 1.00 0.00 H new ATOM 0 HE2 HIS A 113 15.064 -4.476 6.923 1.00 0.00 H new ATOM 1668 N LEU A 114 13.057 -2.967 0.666 1.00 0.00 N ATOM 1669 CA LEU A 114 13.935 -2.311 -0.353 1.00 0.00 C ATOM 1670 C LEU A 114 13.878 -0.775 -0.102 1.00 0.00 C ATOM 1671 O LEU A 114 13.280 -0.324 0.854 1.00 0.00 O ATOM 1672 CB LEU A 114 13.349 -2.786 -1.721 1.00 0.00 C ATOM 1673 CG LEU A 114 14.031 -2.229 -3.007 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.540 -2.502 -2.972 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.452 -3.016 -4.198 1.00 0.00 C ATOM 0 H LEU A 114 12.153 -2.505 0.766 1.00 0.00 H new ATOM 0 HA LEU A 114 14.993 -2.569 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.400 -3.874 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.294 -2.515 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 114 13.856 -1.156 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.002 -2.107 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.977 -2.017 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.714 -3.576 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.903 -2.658 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.671 -4.077 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.373 -2.870 -4.240 1.00 0.00 H new ATOM 1687 N ASN A 115 14.503 0.006 -0.943 1.00 0.00 N ATOM 1688 CA ASN A 115 14.494 1.495 -0.788 1.00 0.00 C ATOM 1689 C ASN A 115 13.972 2.155 -2.108 1.00 0.00 C ATOM 1690 O ASN A 115 14.676 2.178 -3.101 1.00 0.00 O ATOM 1691 CB ASN A 115 15.917 1.901 -0.472 1.00 0.00 C ATOM 1692 CG ASN A 115 15.898 3.307 0.098 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.353 4.220 -0.469 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.474 3.550 1.224 1.00 0.00 N ATOM 0 H ASN A 115 15.031 -0.331 -1.748 1.00 0.00 H new ATOM 0 HA ASN A 115 13.830 1.825 0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.359 1.208 0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.531 1.865 -1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.460 4.494 1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.944 2.799 1.729 1.00 0.00 H new ATOM 1701 N VAL A 116 12.768 2.667 -2.121 1.00 0.00 N ATOM 1702 CA VAL A 116 12.259 3.301 -3.401 1.00 0.00 C ATOM 1703 C VAL A 116 11.665 4.704 -3.137 1.00 0.00 C ATOM 1704 O VAL A 116 11.667 5.181 -2.016 1.00 0.00 O ATOM 1705 CB VAL A 116 11.145 2.361 -4.100 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.548 0.850 -4.211 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.793 2.418 -3.380 1.00 0.00 C ATOM 0 H VAL A 116 12.122 2.681 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 116 13.110 3.407 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 116 11.068 2.778 -5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.744 0.293 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.458 0.759 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.723 0.446 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.081 1.769 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.915 2.084 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.420 3.442 -3.387 1.00 0.00 H new ATOM 1717 N ASN A 117 11.188 5.347 -4.171 1.00 0.00 N ATOM 1718 CA ASN A 117 10.584 6.720 -3.988 1.00 0.00 C ATOM 1719 C ASN A 117 9.146 6.673 -4.507 1.00 0.00 C ATOM 1720 O ASN A 117 8.952 6.086 -5.559 1.00 0.00 O ATOM 1721 CB ASN A 117 11.373 7.761 -4.804 1.00 0.00 C ATOM 1722 CG ASN A 117 12.837 7.670 -4.465 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.425 8.437 -3.740 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.505 6.700 -4.980 1.00 0.00 N ATOM 0 H ASN A 117 11.186 4.994 -5.128 1.00 0.00 H new ATOM 0 HA ASN A 117 10.614 7.000 -2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.226 7.589 -5.870 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.002 8.763 -4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.498 6.598 -4.772 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.042 6.033 -5.597 1.00 0.00 H new ATOM 1731 N TYR A 118 8.229 7.269 -3.781 1.00 0.00 N ATOM 1732 CA TYR A 118 6.805 7.280 -4.215 1.00 0.00 C ATOM 1733 C TYR A 118 6.316 8.720 -4.032 1.00 0.00 C ATOM 1734 O TYR A 118 6.383 9.326 -2.975 1.00 0.00 O ATOM 1735 CB TYR A 118 5.916 6.283 -3.366 1.00 0.00 C ATOM 1736 CG TYR A 118 5.908 6.578 -1.858 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.143 7.609 -1.320 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.697 5.816 -1.016 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.188 7.858 0.040 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.732 6.076 0.335 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.984 7.090 0.865 1.00 0.00 C ATOM 1742 OH TYR A 118 6.027 7.356 2.214 1.00 0.00 O ATOM 0 H TYR A 118 8.413 7.750 -2.901 1.00 0.00 H new ATOM 0 HA TYR A 118 6.722 6.949 -5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 118 4.892 6.320 -3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.277 5.267 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.517 8.212 -1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.291 5.010 -1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.596 8.659 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.355 5.475 0.981 1.00 0.00 H new ATOM 0 HH TYR A 118 5.478 8.144 2.410 1.00 0.00 H new ATOM 1752 N GLN A 119 5.842 9.236 -5.123 1.00 0.00 N ATOM 1753 CA GLN A 119 5.326 10.637 -5.102 1.00 0.00 C ATOM 1754 C GLN A 119 3.835 10.636 -5.503 1.00 0.00 C ATOM 1755 O GLN A 119 3.454 9.909 -6.400 1.00 0.00 O ATOM 1756 CB GLN A 119 6.214 11.486 -6.094 1.00 0.00 C ATOM 1757 CG GLN A 119 7.377 10.669 -6.809 1.00 0.00 C ATOM 1758 CD GLN A 119 8.538 10.187 -5.903 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.405 9.455 -6.320 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.648 10.542 -4.669 1.00 0.00 N ATOM 0 H GLN A 119 5.787 8.760 -6.023 1.00 0.00 H new ATOM 0 HA GLN A 119 5.390 11.079 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.569 11.918 -6.859 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.657 12.316 -5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 119 6.935 9.797 -7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.796 11.292 -7.599 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.951 11.159 -4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.432 10.206 -4.110 1.00 0.00 H new ATOM 1769 N PHE A 120 3.029 11.435 -4.847 1.00 0.00 N ATOM 1770 CA PHE A 120 1.562 11.457 -5.223 1.00 0.00 C ATOM 1771 C PHE A 120 1.409 12.260 -6.541 1.00 0.00 C ATOM 1772 O PHE A 120 1.662 13.440 -6.609 1.00 0.00 O ATOM 1773 CB PHE A 120 0.707 12.154 -4.148 1.00 0.00 C ATOM 1774 CG PHE A 120 0.573 11.373 -2.823 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.622 11.277 -1.932 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.619 10.769 -2.496 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.495 10.601 -0.734 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.750 10.087 -1.296 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.303 10.002 -0.412 1.00 0.00 C ATOM 0 H PHE A 120 3.303 12.059 -4.088 1.00 0.00 H new ATOM 0 HA PHE A 120 1.223 10.426 -5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.141 13.131 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.290 12.329 -4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.566 11.742 -2.177 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.456 10.826 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.331 10.544 -0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.690 9.616 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.192 9.471 0.522 1.00 0.00 H new ATOM 1789 N VAL A 121 0.975 11.560 -7.534 1.00 0.00 N ATOM 1790 CA VAL A 121 0.748 12.086 -8.928 1.00 0.00 C ATOM 1791 C VAL A 121 -0.700 11.801 -9.404 1.00 0.00 C ATOM 1792 O VAL A 121 -1.360 10.951 -8.840 1.00 0.00 O ATOM 1793 CB VAL A 121 1.835 11.366 -9.803 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.227 10.512 -10.944 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.828 12.344 -10.429 1.00 0.00 C ATOM 0 H VAL A 121 0.748 10.570 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 121 0.847 13.169 -8.994 1.00 0.00 H new ATOM 0 HB VAL A 121 2.353 10.713 -9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.029 10.040 -11.512 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.582 9.743 -10.519 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.642 11.151 -11.605 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.557 11.792 -11.023 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.293 13.045 -11.070 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.343 12.893 -9.641 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.189 12.501 -10.398 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.576 12.198 -10.862 1.00 0.00 C ATOM 1807 C ASP A 122 -2.425 11.115 -11.965 1.00 0.00 C ATOM 1808 O ASP A 122 -1.403 11.075 -12.627 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.251 13.479 -11.467 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.738 13.205 -11.729 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -5.263 12.248 -11.177 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -5.268 13.992 -12.485 1.00 0.00 O ATOM 0 H ASP A 122 -0.704 13.248 -10.895 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.202 11.860 -10.037 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.141 14.318 -10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.754 13.760 -12.396 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.389 10.258 -12.163 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.219 9.218 -13.260 1.00 0.00 C ATOM 1819 C CYS A 123 -3.792 9.844 -14.530 1.00 0.00 C ATOM 1820 O CYS A 123 -3.200 9.843 -15.590 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.997 7.920 -12.976 1.00 0.00 C ATOM 1822 SG CYS A 123 -3.176 6.560 -12.117 1.00 0.00 S ATOM 0 H CYS A 123 -4.265 10.218 -11.641 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.165 8.952 -13.339 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.879 8.189 -12.394 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.351 7.536 -13.933 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.968 10.344 -14.287 1.00 0.00 N ATOM 1828 CA ARG A 124 -5.819 11.043 -15.301 1.00 0.00 C ATOM 1829 C ARG A 124 -6.135 10.370 -16.670 1.00 0.00 C ATOM 1830 O ARG A 124 -6.105 11.032 -17.691 1.00 0.00 O ATOM 1831 CB ARG A 124 -5.129 12.401 -15.486 1.00 0.00 C ATOM 1832 CG ARG A 124 -6.184 13.487 -15.423 1.00 0.00 C ATOM 1833 CD ARG A 124 -5.491 14.804 -15.633 1.00 0.00 C ATOM 1834 NE ARG A 124 -6.486 15.823 -15.188 1.00 0.00 N ATOM 1835 CZ ARG A 124 -7.177 16.462 -16.042 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -6.578 17.309 -16.767 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -8.422 16.207 -16.116 1.00 0.00 N ATOM 0 H ARG A 124 -5.404 10.294 -13.366 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.833 11.060 -14.901 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.380 12.555 -14.709 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -4.608 12.434 -16.443 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.944 13.328 -16.188 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.693 13.471 -14.459 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -4.571 14.866 -15.051 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -5.217 14.946 -16.678 1.00 0.00 H new ATOM 0 HE ARG A 124 -6.612 16.008 -14.193 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -5.575 17.459 -16.654 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -7.098 17.842 -17.464 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -8.837 15.507 -15.500 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.005 16.702 -16.791 1.00 0.00 H new ATOM 1851 N ASP A 125 -6.417 9.092 -16.572 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.777 8.163 -17.713 1.00 0.00 C ATOM 1853 C ASP A 125 -7.559 8.923 -18.838 1.00 0.00 C ATOM 1854 O ASP A 125 -8.731 9.193 -18.616 1.00 0.00 O ATOM 1855 CB ASP A 125 -7.587 7.001 -17.003 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.921 5.701 -17.772 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -7.552 5.430 -18.904 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.598 4.955 -17.089 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.942 9.206 -19.856 1.00 0.00 O ATOM 0 H ASP A 125 -6.412 8.612 -15.672 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.919 7.758 -18.250 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.027 6.715 -16.113 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.531 7.427 -16.663 1.00 0.00 H new