USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 846 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 66 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 SER OG : rot -87:sc= 0.232 USER MOD Set 2.2: A 67 HIS : no HE2:sc= -2.05 K(o=-1.8,f=-3.7) USER MOD Set 3.1: A 48 SER OG : rot 100:sc= -0.982 USER MOD Set 3.2: A 51 CYS SG : rot 104:sc= -0.0754 USER MOD Set 4.1: A 22 TYR OH : rot 16:sc= 0.073 USER MOD Set 4.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0299 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -135:sc= 0 (180deg=-0.00382) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 127:sc= 0.0155 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -43:sc= 0.0121 USER MOD Single : A 23 MET CE :methyl -141:sc= -2.27 (180deg=-5.93!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.1) USER MOD Single : A 32 GLN : amide:sc= -0.53 K(o=-0.53,f=-3.2!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.0043) USER MOD Single : A 38 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.46) USER MOD Single : A 40 HIS : no HE2:sc= 0.00192 K(o=0.0019,f=-0.62) USER MOD Single : A 42 MET CE :methyl -171:sc= 0 (180deg=-0.0346) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00138 USER MOD Single : A 60 SER OG : rot 113:sc= 1.16 USER MOD Single : A 62 ASN : amide:sc= -1.02 K(o=-1,f=-0.51) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.15) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -6.06! C(o=-6.1!,f=-7.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0132 K(o=-0.013,f=0.51) USER MOD Single : A 87 HIS : no HD1:sc= -10! C(o=-10!,f=-12!) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.42) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -29:sc= 0.267 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.593 12.236 -31.373 1.00 0.00 N ATOM 2 CA GLY A 1 -8.276 13.272 -30.620 1.00 0.00 C ATOM 3 C GLY A 1 -7.520 13.674 -29.369 1.00 0.00 C ATOM 4 O GLY A 1 -6.293 13.589 -29.323 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.541 12.512 -32.374 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.631 12.111 -30.998 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.117 11.342 -31.287 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.413 14.147 -31.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.270 12.920 -30.343 1.00 0.00 H new ATOM 8 N SER A 2 -8.254 14.114 -28.352 1.00 0.00 N ATOM 9 CA SER A 2 -7.644 14.537 -27.096 1.00 0.00 C ATOM 10 C SER A 2 -8.631 14.401 -25.940 1.00 0.00 C ATOM 11 O SER A 2 -9.838 14.278 -26.151 1.00 0.00 O ATOM 12 CB SER A 2 -7.161 15.984 -27.201 1.00 0.00 C ATOM 13 OG SER A 2 -6.126 16.245 -26.268 1.00 0.00 O ATOM 0 H SER A 2 -9.271 14.187 -28.373 1.00 0.00 H new ATOM 0 HA SER A 2 -6.789 13.890 -26.900 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.802 16.178 -28.212 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.995 16.663 -27.023 1.00 0.00 H new ATOM 0 HG SER A 2 -5.833 17.176 -26.356 1.00 0.00 H new ATOM 19 N SER A 3 -8.108 14.423 -24.719 1.00 0.00 N ATOM 20 CA SER A 3 -8.942 14.298 -23.528 1.00 0.00 C ATOM 21 C SER A 3 -8.514 15.299 -22.459 1.00 0.00 C ATOM 22 O SER A 3 -7.445 15.901 -22.548 1.00 0.00 O ATOM 23 CB SER A 3 -8.863 12.875 -22.972 1.00 0.00 C ATOM 24 OG SER A 3 -9.470 11.948 -23.856 1.00 0.00 O ATOM 0 H SER A 3 -7.111 14.526 -24.527 1.00 0.00 H new ATOM 0 HA SER A 3 -9.973 14.513 -23.811 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.820 12.601 -22.812 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.356 12.833 -22.001 1.00 0.00 H new ATOM 0 HG SER A 3 -9.405 11.046 -23.479 1.00 0.00 H new ATOM 30 N GLY A 4 -9.359 15.471 -21.447 1.00 0.00 N ATOM 31 CA GLY A 4 -9.053 16.399 -20.374 1.00 0.00 C ATOM 32 C GLY A 4 -9.351 15.821 -19.005 1.00 0.00 C ATOM 33 O GLY A 4 -10.506 15.778 -18.580 1.00 0.00 O ATOM 0 H GLY A 4 -10.250 14.984 -21.351 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.000 16.676 -20.427 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.630 17.313 -20.513 1.00 0.00 H new ATOM 37 N SER A 5 -8.308 15.375 -18.312 1.00 0.00 N ATOM 38 CA SER A 5 -8.465 14.792 -16.985 1.00 0.00 C ATOM 39 C SER A 5 -8.182 15.827 -15.900 1.00 0.00 C ATOM 40 O SER A 5 -7.066 16.333 -15.785 1.00 0.00 O ATOM 41 CB SER A 5 -7.530 13.593 -16.818 1.00 0.00 C ATOM 42 OG SER A 5 -7.912 12.800 -15.707 1.00 0.00 O ATOM 0 H SER A 5 -7.345 15.406 -18.648 1.00 0.00 H new ATOM 0 HA SER A 5 -9.497 14.456 -16.882 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.545 12.987 -17.724 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.506 13.942 -16.685 1.00 0.00 H new ATOM 0 HG SER A 5 -7.300 12.039 -15.622 1.00 0.00 H new ATOM 48 N SER A 6 -9.202 16.137 -15.106 1.00 0.00 N ATOM 49 CA SER A 6 -9.066 17.114 -14.032 1.00 0.00 C ATOM 50 C SER A 6 -8.442 16.477 -12.794 1.00 0.00 C ATOM 51 O SER A 6 -8.463 15.257 -12.632 1.00 0.00 O ATOM 52 CB SER A 6 -10.430 17.711 -13.680 1.00 0.00 C ATOM 53 OG SER A 6 -10.287 18.968 -13.043 1.00 0.00 O ATOM 0 H SER A 6 -10.132 15.726 -15.186 1.00 0.00 H new ATOM 0 HA SER A 6 -8.408 17.910 -14.380 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.026 17.824 -14.586 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.972 17.028 -13.026 1.00 0.00 H new ATOM 0 HG SER A 6 -11.173 19.329 -12.830 1.00 0.00 H new ATOM 59 N GLY A 7 -7.888 17.313 -11.921 1.00 0.00 N ATOM 60 CA GLY A 7 -7.266 16.814 -10.708 1.00 0.00 C ATOM 61 C GLY A 7 -7.852 17.439 -9.458 1.00 0.00 C ATOM 62 O GLY A 7 -7.201 18.248 -8.797 1.00 0.00 O ATOM 0 H GLY A 7 -7.859 18.327 -12.032 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.386 15.732 -10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.195 17.014 -10.743 1.00 0.00 H new ATOM 66 N MET A 8 -9.084 17.063 -9.132 1.00 0.00 N ATOM 67 CA MET A 8 -9.758 17.592 -7.952 1.00 0.00 C ATOM 68 C MET A 8 -9.006 17.212 -6.681 1.00 0.00 C ATOM 69 O MET A 8 -8.508 18.077 -5.960 1.00 0.00 O ATOM 70 CB MET A 8 -11.195 17.073 -7.883 1.00 0.00 C ATOM 71 CG MET A 8 -12.058 17.806 -6.869 1.00 0.00 C ATOM 72 SD MET A 8 -13.737 17.155 -6.786 1.00 0.00 S ATOM 73 CE MET A 8 -13.486 15.698 -5.775 1.00 0.00 C ATOM 0 H MET A 8 -9.636 16.394 -9.668 1.00 0.00 H new ATOM 0 HA MET A 8 -9.776 18.679 -8.031 1.00 0.00 H new ATOM 0 HB2 MET A 8 -11.652 17.162 -8.868 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.178 16.012 -7.634 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.596 17.734 -5.885 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.095 18.864 -7.127 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.021 14.855 -6.213 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.422 15.467 -5.727 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.863 15.884 -4.769 1.00 0.00 H new ATOM 83 N SER A 9 -8.927 15.913 -6.411 1.00 0.00 N ATOM 84 CA SER A 9 -8.239 15.419 -5.224 1.00 0.00 C ATOM 85 C SER A 9 -6.820 14.974 -5.564 1.00 0.00 C ATOM 86 O SER A 9 -6.603 14.234 -6.524 1.00 0.00 O ATOM 87 CB SER A 9 -9.016 14.255 -4.605 1.00 0.00 C ATOM 88 OG SER A 9 -8.564 13.982 -3.291 1.00 0.00 O ATOM 0 H SER A 9 -9.331 15.183 -6.998 1.00 0.00 H new ATOM 0 HA SER A 9 -8.183 16.234 -4.502 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.079 14.493 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.900 13.366 -5.225 1.00 0.00 H new ATOM 0 HG SER A 9 -9.077 13.236 -2.917 1.00 0.00 H new ATOM 94 N SER A 10 -5.857 15.431 -4.770 1.00 0.00 N ATOM 95 CA SER A 10 -4.457 15.084 -4.989 1.00 0.00 C ATOM 96 C SER A 10 -4.295 13.579 -5.184 1.00 0.00 C ATOM 97 O SER A 10 -3.688 13.130 -6.156 1.00 0.00 O ATOM 98 CB SER A 10 -3.604 15.551 -3.808 1.00 0.00 C ATOM 99 OG SER A 10 -3.254 16.918 -3.942 1.00 0.00 O ATOM 0 H SER A 10 -6.020 16.042 -3.970 1.00 0.00 H new ATOM 0 HA SER A 10 -4.120 15.589 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.152 15.402 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.700 14.945 -3.746 1.00 0.00 H new ATOM 0 HG SER A 10 -2.711 17.193 -3.174 1.00 0.00 H new ATOM 105 N ALA A 11 -4.842 12.806 -4.252 1.00 0.00 N ATOM 106 CA ALA A 11 -4.760 11.352 -4.321 1.00 0.00 C ATOM 107 C ALA A 11 -5.496 10.818 -5.545 1.00 0.00 C ATOM 108 O ALA A 11 -6.689 10.518 -5.482 1.00 0.00 O ATOM 109 CB ALA A 11 -5.323 10.730 -3.052 1.00 0.00 C ATOM 0 H ALA A 11 -5.347 13.162 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.709 11.077 -4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.255 9.644 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.751 11.078 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.367 11.022 -2.936 1.00 0.00 H new ATOM 115 N ARG A 12 -4.779 10.704 -6.658 1.00 0.00 N ATOM 116 CA ARG A 12 -5.366 10.208 -7.898 1.00 0.00 C ATOM 117 C ARG A 12 -4.526 9.077 -8.482 1.00 0.00 C ATOM 118 O ARG A 12 -3.573 9.316 -9.224 1.00 0.00 O ATOM 119 CB ARG A 12 -5.492 11.343 -8.916 1.00 0.00 C ATOM 120 CG ARG A 12 -6.385 11.003 -10.098 1.00 0.00 C ATOM 121 CD ARG A 12 -7.857 11.051 -9.717 1.00 0.00 C ATOM 122 NE ARG A 12 -8.687 10.282 -10.641 1.00 0.00 N ATOM 123 CZ ARG A 12 -9.938 9.922 -10.378 1.00 0.00 C ATOM 124 NH1 ARG A 12 -10.501 10.260 -9.226 1.00 0.00 N ATOM 125 NH2 ARG A 12 -10.629 9.223 -11.269 1.00 0.00 N ATOM 0 H ARG A 12 -3.791 10.948 -6.727 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.359 9.820 -7.672 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.887 12.227 -8.415 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.499 11.602 -9.284 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.196 11.703 -10.912 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.136 10.009 -10.469 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.983 10.662 -8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.194 12.087 -9.703 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.284 10.007 -11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.973 10.798 -8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.462 9.982 -9.027 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.199 8.962 -12.157 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.590 8.947 -11.067 1.00 0.00 H new ATOM 139 N PHE A 13 -4.886 7.843 -8.142 1.00 0.00 N ATOM 140 CA PHE A 13 -4.164 6.674 -8.632 1.00 0.00 C ATOM 141 C PHE A 13 -5.048 5.431 -8.584 1.00 0.00 C ATOM 142 O PHE A 13 -5.882 5.283 -7.690 1.00 0.00 O ATOM 143 CB PHE A 13 -2.898 6.446 -7.804 1.00 0.00 C ATOM 144 CG PHE A 13 -3.169 6.216 -6.345 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.268 7.285 -5.468 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.324 4.932 -5.849 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.517 7.076 -4.125 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.573 4.717 -4.507 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.670 5.790 -3.644 1.00 0.00 C ATOM 0 H PHE A 13 -5.673 7.627 -7.530 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.883 6.859 -9.669 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.361 5.587 -8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.243 7.310 -7.912 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.149 8.292 -5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.249 4.089 -6.519 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.592 7.917 -3.452 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.692 3.711 -4.134 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.865 5.624 -2.595 1.00 0.00 H new ATOM 159 N ASP A 14 -4.858 4.540 -9.551 1.00 0.00 N ATOM 160 CA ASP A 14 -5.636 3.309 -9.620 1.00 0.00 C ATOM 161 C ASP A 14 -5.129 2.288 -8.606 1.00 0.00 C ATOM 162 O ASP A 14 -4.072 1.685 -8.793 1.00 0.00 O ATOM 163 CB ASP A 14 -5.575 2.719 -11.030 1.00 0.00 C ATOM 164 CG ASP A 14 -6.523 1.551 -11.211 1.00 0.00 C ATOM 165 OD1 ASP A 14 -7.125 1.115 -10.207 1.00 0.00 O ATOM 166 OD2 ASP A 14 -6.663 1.071 -12.356 1.00 0.00 O ATOM 0 H ASP A 14 -4.172 4.647 -10.298 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.672 3.550 -9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.817 3.495 -11.756 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.557 2.392 -11.240 1.00 0.00 H new ATOM 171 N SER A 15 -5.889 2.101 -7.531 1.00 0.00 N ATOM 172 CA SER A 15 -5.514 1.157 -6.485 1.00 0.00 C ATOM 173 C SER A 15 -5.512 -0.273 -7.018 1.00 0.00 C ATOM 174 O SER A 15 -4.822 -1.144 -6.488 1.00 0.00 O ATOM 175 CB SER A 15 -6.474 1.270 -5.299 1.00 0.00 C ATOM 176 OG SER A 15 -7.821 1.140 -5.719 1.00 0.00 O ATOM 0 H SER A 15 -6.768 2.591 -7.362 1.00 0.00 H new ATOM 0 HA SER A 15 -4.506 1.403 -6.152 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.243 0.498 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.335 2.232 -4.805 1.00 0.00 H new ATOM 0 HG SER A 15 -8.263 0.445 -5.189 1.00 0.00 H new ATOM 182 N SER A 16 -6.290 -0.506 -8.070 1.00 0.00 N ATOM 183 CA SER A 16 -6.382 -1.830 -8.674 1.00 0.00 C ATOM 184 C SER A 16 -5.163 -2.116 -9.545 1.00 0.00 C ATOM 185 O SER A 16 -4.732 -3.262 -9.672 1.00 0.00 O ATOM 186 CB SER A 16 -7.659 -1.945 -9.510 1.00 0.00 C ATOM 187 OG SER A 16 -8.743 -2.409 -8.724 1.00 0.00 O ATOM 0 H SER A 16 -6.866 0.205 -8.522 1.00 0.00 H new ATOM 0 HA SER A 16 -6.414 -2.567 -7.871 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.906 -0.973 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.492 -2.627 -10.343 1.00 0.00 H new ATOM 0 HG SER A 16 -9.547 -2.472 -9.281 1.00 0.00 H new ATOM 193 N ASP A 17 -4.612 -1.066 -10.143 1.00 0.00 N ATOM 194 CA ASP A 17 -3.441 -1.202 -11.002 1.00 0.00 C ATOM 195 C ASP A 17 -2.207 -1.571 -10.184 1.00 0.00 C ATOM 196 O ASP A 17 -1.548 -0.703 -9.612 1.00 0.00 O ATOM 197 CB ASP A 17 -3.191 0.097 -11.769 1.00 0.00 C ATOM 198 CG ASP A 17 -2.108 -0.050 -12.820 1.00 0.00 C ATOM 199 OD1 ASP A 17 -0.998 -0.503 -12.469 1.00 0.00 O ATOM 200 OD2 ASP A 17 -2.371 0.286 -13.993 1.00 0.00 O ATOM 0 H ASP A 17 -4.957 -0.111 -10.049 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.635 -2.003 -11.715 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.117 0.417 -12.248 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.908 0.881 -11.067 1.00 0.00 H new ATOM 205 N ARG A 18 -1.902 -2.863 -10.134 1.00 0.00 N ATOM 206 CA ARG A 18 -0.748 -3.347 -9.384 1.00 0.00 C ATOM 207 C ARG A 18 0.550 -2.811 -9.980 1.00 0.00 C ATOM 208 O ARG A 18 1.485 -2.474 -9.253 1.00 0.00 O ATOM 209 CB ARG A 18 -0.725 -4.876 -9.374 1.00 0.00 C ATOM 210 CG ARG A 18 -1.465 -5.489 -8.196 1.00 0.00 C ATOM 211 CD ARG A 18 -2.062 -6.841 -8.556 1.00 0.00 C ATOM 212 NE ARG A 18 -3.369 -6.709 -9.195 1.00 0.00 N ATOM 213 CZ ARG A 18 -4.488 -6.440 -8.532 1.00 0.00 C ATOM 214 NH1 ARG A 18 -4.459 -6.274 -7.217 1.00 0.00 N ATOM 215 NH2 ARG A 18 -5.638 -6.336 -9.185 1.00 0.00 N ATOM 0 H ARG A 18 -2.437 -3.594 -10.603 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.833 -2.986 -8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.166 -5.244 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.311 -5.215 -9.358 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.781 -5.604 -7.355 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.258 -4.815 -7.872 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.383 -7.371 -9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.158 -7.446 -7.655 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.425 -6.830 -10.206 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.576 -6.353 -6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.320 -6.067 -6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.663 -6.463 -10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.497 -6.129 -8.675 1.00 0.00 H new ATOM 229 N SER A 19 0.601 -2.737 -11.306 1.00 0.00 N ATOM 230 CA SER A 19 1.787 -2.246 -11.999 1.00 0.00 C ATOM 231 C SER A 19 2.024 -0.771 -11.692 1.00 0.00 C ATOM 232 O SER A 19 3.021 -0.190 -12.119 1.00 0.00 O ATOM 233 CB SER A 19 1.640 -2.448 -13.509 1.00 0.00 C ATOM 234 OG SER A 19 2.906 -2.479 -14.144 1.00 0.00 O ATOM 0 H SER A 19 -0.165 -3.011 -11.922 1.00 0.00 H new ATOM 0 HA SER A 19 2.647 -2.815 -11.645 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.108 -3.379 -13.705 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.038 -1.643 -13.930 1.00 0.00 H new ATOM 0 HG SER A 19 3.474 -1.771 -13.775 1.00 0.00 H new ATOM 240 N ALA A 20 1.100 -0.172 -10.949 1.00 0.00 N ATOM 241 CA ALA A 20 1.209 1.235 -10.582 1.00 0.00 C ATOM 242 C ALA A 20 1.736 1.392 -9.160 1.00 0.00 C ATOM 243 O ALA A 20 2.442 2.353 -8.853 1.00 0.00 O ATOM 244 CB ALA A 20 -0.140 1.924 -10.726 1.00 0.00 C ATOM 0 H ALA A 20 0.267 -0.639 -10.589 1.00 0.00 H new ATOM 0 HA ALA A 20 1.920 1.708 -11.259 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.044 2.974 -10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.477 1.851 -11.760 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.867 1.441 -10.073 1.00 0.00 H new ATOM 250 N TRP A 21 1.390 0.444 -8.297 1.00 0.00 N ATOM 251 CA TRP A 21 1.828 0.479 -6.907 1.00 0.00 C ATOM 252 C TRP A 21 2.576 -0.798 -6.540 1.00 0.00 C ATOM 253 O TRP A 21 3.631 -0.751 -5.906 1.00 0.00 O ATOM 254 CB TRP A 21 0.629 0.668 -5.977 1.00 0.00 C ATOM 255 CG TRP A 21 -0.495 -0.284 -6.255 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.602 -0.045 -7.018 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.621 -1.626 -5.772 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.409 -1.157 -7.039 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.829 -2.141 -6.283 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.170 -2.443 -4.960 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.262 -3.434 -6.005 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.262 -3.727 -4.685 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.469 -4.213 -5.207 1.00 0.00 C ATOM 0 H TRP A 21 0.807 -0.359 -8.535 1.00 0.00 H new ATOM 0 HA TRP A 21 2.507 1.323 -6.787 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.956 0.542 -4.945 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.262 1.690 -6.072 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.812 0.882 -7.530 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.296 -1.237 -7.537 1.00 0.00 H new ATOM 0 HE3 TRP A 21 1.102 -2.078 -4.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.192 -3.810 -6.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.341 -4.367 -4.057 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.779 -5.221 -4.975 1.00 0.00 H new ATOM 274 N TYR A 22 2.023 -1.938 -6.941 1.00 0.00 N ATOM 275 CA TYR A 22 2.637 -3.228 -6.652 1.00 0.00 C ATOM 276 C TYR A 22 4.075 -3.273 -7.160 1.00 0.00 C ATOM 277 O TYR A 22 4.354 -2.906 -8.300 1.00 0.00 O ATOM 278 CB TYR A 22 1.825 -4.357 -7.287 1.00 0.00 C ATOM 279 CG TYR A 22 2.129 -5.721 -6.711 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.239 -5.909 -5.338 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.307 -6.823 -7.539 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.518 -7.153 -4.808 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.585 -8.072 -7.017 1.00 0.00 C ATOM 284 CZ TYR A 22 2.690 -8.232 -5.651 1.00 0.00 C ATOM 285 OH TYR A 22 2.967 -9.473 -5.126 1.00 0.00 O ATOM 0 H TYR A 22 1.151 -1.994 -7.467 1.00 0.00 H new ATOM 0 HA TYR A 22 2.648 -3.362 -5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.763 -4.146 -7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.019 -4.374 -8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.104 -5.068 -4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.227 -6.701 -8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.601 -7.281 -3.739 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.719 -8.918 -7.675 1.00 0.00 H new ATOM 0 HH TYR A 22 2.757 -9.477 -4.169 1.00 0.00 H new ATOM 295 N MET A 23 4.985 -3.728 -6.303 1.00 0.00 N ATOM 296 CA MET A 23 6.394 -3.823 -6.665 1.00 0.00 C ATOM 297 C MET A 23 6.882 -5.265 -6.574 1.00 0.00 C ATOM 298 O MET A 23 7.987 -5.586 -7.011 1.00 0.00 O ATOM 299 CB MET A 23 7.238 -2.929 -5.755 1.00 0.00 C ATOM 300 CG MET A 23 6.686 -1.520 -5.606 1.00 0.00 C ATOM 301 SD MET A 23 7.029 -0.484 -7.041 1.00 0.00 S ATOM 302 CE MET A 23 6.114 0.996 -6.616 1.00 0.00 C ATOM 0 H MET A 23 4.771 -4.036 -5.354 1.00 0.00 H new ATOM 0 HA MET A 23 6.502 -3.485 -7.696 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.307 -3.390 -4.769 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.251 -2.873 -6.152 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.609 -1.571 -5.449 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.116 -1.057 -4.718 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.638 1.399 -7.510 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.350 0.752 -5.877 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.796 1.739 -6.202 1.00 0.00 H new ATOM 312 N GLY A 24 6.051 -6.132 -6.003 1.00 0.00 N ATOM 313 CA GLY A 24 6.416 -7.530 -5.866 1.00 0.00 C ATOM 314 C GLY A 24 7.911 -7.725 -5.705 1.00 0.00 C ATOM 315 O GLY A 24 8.446 -7.699 -4.597 1.00 0.00 O ATOM 0 H GLY A 24 5.132 -5.891 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.902 -7.954 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.073 -8.080 -6.743 1.00 0.00 H new ATOM 319 N PRO A 25 8.609 -7.928 -6.832 1.00 0.00 N ATOM 320 CA PRO A 25 10.061 -8.134 -6.837 1.00 0.00 C ATOM 321 C PRO A 25 10.827 -6.867 -6.473 1.00 0.00 C ATOM 322 O PRO A 25 11.347 -6.171 -7.346 1.00 0.00 O ATOM 323 CB PRO A 25 10.356 -8.541 -8.283 1.00 0.00 C ATOM 324 CG PRO A 25 9.247 -7.943 -9.079 1.00 0.00 C ATOM 325 CD PRO A 25 8.036 -7.971 -8.188 1.00 0.00 C ATOM 0 HA PRO A 25 10.371 -8.875 -6.100 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.325 -8.165 -8.610 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.381 -9.625 -8.392 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.488 -6.923 -9.379 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.072 -8.511 -9.993 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.380 -7.120 -8.374 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.442 -8.872 -8.345 1.00 0.00 H new ATOM 333 N VAL A 26 10.894 -6.572 -5.179 1.00 0.00 N ATOM 334 CA VAL A 26 11.599 -5.389 -4.700 1.00 0.00 C ATOM 335 C VAL A 26 12.055 -5.568 -3.256 1.00 0.00 C ATOM 336 O VAL A 26 11.275 -5.973 -2.394 1.00 0.00 O ATOM 337 CB VAL A 26 10.714 -4.132 -4.795 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.343 -2.977 -4.029 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.481 -3.753 -6.250 1.00 0.00 C ATOM 0 H VAL A 26 10.469 -7.136 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 26 12.472 -5.260 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 26 9.748 -4.354 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.704 -2.098 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.453 -3.253 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.323 -2.752 -4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.854 -2.863 -6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.438 -3.549 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.984 -4.575 -6.765 1.00 0.00 H new ATOM 349 N SER A 27 13.323 -5.264 -3.000 1.00 0.00 N ATOM 350 CA SER A 27 13.885 -5.394 -1.660 1.00 0.00 C ATOM 351 C SER A 27 13.607 -4.144 -0.831 1.00 0.00 C ATOM 352 O SER A 27 13.316 -3.078 -1.373 1.00 0.00 O ATOM 353 CB SER A 27 15.392 -5.643 -1.739 1.00 0.00 C ATOM 354 OG SER A 27 16.042 -4.616 -2.467 1.00 0.00 O ATOM 0 H SER A 27 13.981 -4.926 -3.702 1.00 0.00 H new ATOM 0 HA SER A 27 13.408 -6.245 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.808 -5.699 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.580 -6.605 -2.215 1.00 0.00 H new ATOM 0 HG SER A 27 17.004 -4.798 -2.501 1.00 0.00 H new ATOM 360 N ARG A 28 13.699 -4.284 0.488 1.00 0.00 N ATOM 361 CA ARG A 28 13.457 -3.168 1.393 1.00 0.00 C ATOM 362 C ARG A 28 14.396 -2.005 1.087 1.00 0.00 C ATOM 363 O ARG A 28 13.953 -0.878 0.869 1.00 0.00 O ATOM 364 CB ARG A 28 13.637 -3.614 2.846 1.00 0.00 C ATOM 365 CG ARG A 28 13.712 -2.460 3.832 1.00 0.00 C ATOM 366 CD ARG A 28 14.062 -2.944 5.230 1.00 0.00 C ATOM 367 NE ARG A 28 13.015 -3.791 5.795 1.00 0.00 N ATOM 368 CZ ARG A 28 11.909 -3.317 6.358 1.00 0.00 C ATOM 369 NH1 ARG A 28 11.708 -2.008 6.431 1.00 0.00 N ATOM 370 NH2 ARG A 28 11.003 -4.152 6.849 1.00 0.00 N ATOM 0 H ARG A 28 13.939 -5.160 0.953 1.00 0.00 H new ATOM 0 HA ARG A 28 12.431 -2.831 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.807 -4.264 3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.548 -4.208 2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.460 -1.741 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.756 -1.937 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.999 -3.500 5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.224 -2.085 5.881 1.00 0.00 H new ATOM 0 HE ARG A 28 13.140 -4.803 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.403 -1.364 6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.858 -1.646 6.864 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.155 -5.159 6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.154 -3.787 7.281 1.00 0.00 H new ATOM 384 N GLN A 29 15.695 -2.289 1.072 1.00 0.00 N ATOM 385 CA GLN A 29 16.696 -1.266 0.794 1.00 0.00 C ATOM 386 C GLN A 29 16.295 -0.426 -0.414 1.00 0.00 C ATOM 387 O GLN A 29 16.466 0.793 -0.419 1.00 0.00 O ATOM 388 CB GLN A 29 18.061 -1.912 0.550 1.00 0.00 C ATOM 389 CG GLN A 29 18.521 -2.810 1.687 1.00 0.00 C ATOM 390 CD GLN A 29 19.327 -2.063 2.731 1.00 0.00 C ATOM 391 OE1 GLN A 29 19.265 -0.837 2.820 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.090 -2.801 3.529 1.00 0.00 N ATOM 0 H GLN A 29 16.078 -3.218 1.249 1.00 0.00 H new ATOM 0 HA GLN A 29 16.761 -0.611 1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.018 -2.497 -0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.802 -1.128 0.395 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.651 -3.264 2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 29 19.123 -3.623 1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 29 20.111 -3.815 3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.655 -2.354 4.251 1.00 0.00 H new ATOM 401 N GLU A 30 15.761 -1.086 -1.437 1.00 0.00 N ATOM 402 CA GLU A 30 15.337 -0.399 -2.651 1.00 0.00 C ATOM 403 C GLU A 30 14.146 0.513 -2.372 1.00 0.00 C ATOM 404 O GLU A 30 14.252 1.736 -2.464 1.00 0.00 O ATOM 405 CB GLU A 30 14.972 -1.413 -3.737 1.00 0.00 C ATOM 406 CG GLU A 30 14.565 -0.775 -5.055 1.00 0.00 C ATOM 407 CD GLU A 30 14.835 -1.673 -6.246 1.00 0.00 C ATOM 408 OE1 GLU A 30 15.988 -2.129 -6.396 1.00 0.00 O ATOM 409 OE2 GLU A 30 13.894 -1.921 -7.028 1.00 0.00 O ATOM 0 H GLU A 30 15.612 -2.095 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 30 16.169 0.213 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.824 -2.070 -3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.154 -2.038 -3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.503 -0.530 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.105 0.163 -5.182 1.00 0.00 H new ATOM 416 N ALA A 31 13.012 -0.091 -2.031 1.00 0.00 N ATOM 417 CA ALA A 31 11.801 0.666 -1.737 1.00 0.00 C ATOM 418 C ALA A 31 12.114 1.895 -0.890 1.00 0.00 C ATOM 419 O ALA A 31 11.465 2.932 -1.022 1.00 0.00 O ATOM 420 CB ALA A 31 10.784 -0.219 -1.032 1.00 0.00 C ATOM 0 H ALA A 31 12.907 -1.102 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 31 11.377 1.007 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.885 0.359 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.529 -1.063 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.208 -0.588 -0.098 1.00 0.00 H new ATOM 426 N GLN A 32 13.112 1.770 -0.021 1.00 0.00 N ATOM 427 CA GLN A 32 13.509 2.871 0.849 1.00 0.00 C ATOM 428 C GLN A 32 14.204 3.970 0.052 1.00 0.00 C ATOM 429 O GLN A 32 13.930 5.156 0.239 1.00 0.00 O ATOM 430 CB GLN A 32 14.434 2.366 1.957 1.00 0.00 C ATOM 431 CG GLN A 32 13.695 1.728 3.123 1.00 0.00 C ATOM 432 CD GLN A 32 14.561 1.592 4.359 1.00 0.00 C ATOM 433 OE1 GLN A 32 14.940 0.486 4.747 1.00 0.00 O ATOM 434 NE2 GLN A 32 14.881 2.718 4.985 1.00 0.00 N ATOM 0 H GLN A 32 13.660 0.918 0.099 1.00 0.00 H new ATOM 0 HA GLN A 32 12.608 3.288 1.300 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.128 1.639 1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.031 3.199 2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.817 2.328 3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.336 0.743 2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.545 3.613 4.629 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.463 2.688 5.822 1.00 0.00 H new ATOM 443 N THR A 33 15.107 3.569 -0.838 1.00 0.00 N ATOM 444 CA THR A 33 15.843 4.520 -1.662 1.00 0.00 C ATOM 445 C THR A 33 14.902 5.307 -2.566 1.00 0.00 C ATOM 446 O THR A 33 15.235 6.402 -3.021 1.00 0.00 O ATOM 447 CB THR A 33 16.898 3.810 -2.531 1.00 0.00 C ATOM 448 OG1 THR A 33 17.955 4.719 -2.858 1.00 0.00 O ATOM 449 CG2 THR A 33 16.273 3.271 -3.809 1.00 0.00 C ATOM 0 H THR A 33 15.346 2.592 -1.006 1.00 0.00 H new ATOM 0 HA THR A 33 16.346 5.206 -0.981 1.00 0.00 H new ATOM 0 HB THR A 33 17.302 2.973 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.623 4.260 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.037 2.774 -4.406 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.488 2.558 -3.557 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.845 4.095 -4.380 1.00 0.00 H new ATOM 457 N ARG A 34 13.726 4.744 -2.822 1.00 0.00 N ATOM 458 CA ARG A 34 12.737 5.394 -3.673 1.00 0.00 C ATOM 459 C ARG A 34 11.887 6.373 -2.869 1.00 0.00 C ATOM 460 O ARG A 34 11.456 7.406 -3.383 1.00 0.00 O ATOM 461 CB ARG A 34 11.838 4.349 -4.338 1.00 0.00 C ATOM 462 CG ARG A 34 12.533 3.021 -4.589 1.00 0.00 C ATOM 463 CD ARG A 34 11.801 2.200 -5.640 1.00 0.00 C ATOM 464 NE ARG A 34 10.760 1.361 -5.051 1.00 0.00 N ATOM 465 CZ ARG A 34 10.272 0.274 -5.639 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.729 -0.103 -6.825 1.00 0.00 N ATOM 467 NH2 ARG A 34 9.326 -0.437 -5.040 1.00 0.00 N ATOM 0 H ARG A 34 13.435 3.839 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 34 13.269 5.950 -4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.965 4.179 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.475 4.745 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.558 3.201 -4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.589 2.456 -3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.355 2.868 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.516 1.572 -6.172 1.00 0.00 H new ATOM 0 HE ARG A 34 10.388 1.624 -4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.457 0.442 -7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.353 -0.938 -7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.973 -0.149 -4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.952 -1.271 -5.492 1.00 0.00 H new ATOM 481 N LEU A 35 11.649 6.042 -1.604 1.00 0.00 N ATOM 482 CA LEU A 35 10.850 6.892 -0.728 1.00 0.00 C ATOM 483 C LEU A 35 11.736 7.626 0.274 1.00 0.00 C ATOM 484 O LEU A 35 11.241 8.319 1.162 1.00 0.00 O ATOM 485 CB LEU A 35 9.807 6.054 0.014 1.00 0.00 C ATOM 486 CG LEU A 35 9.041 5.035 -0.829 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.595 3.860 0.028 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.845 5.690 -1.503 1.00 0.00 C ATOM 0 H LEU A 35 11.998 5.191 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 35 10.341 7.632 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.307 5.523 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.086 6.731 0.473 1.00 0.00 H new ATOM 0 HG LEU A 35 9.709 4.660 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.051 3.145 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.469 3.374 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.945 4.218 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.312 4.949 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.176 6.094 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.189 6.497 -2.150 1.00 0.00 H new ATOM 500 N GLN A 36 13.047 7.471 0.122 1.00 0.00 N ATOM 501 CA GLN A 36 14.001 8.121 1.012 1.00 0.00 C ATOM 502 C GLN A 36 14.257 9.560 0.578 1.00 0.00 C ATOM 503 O GLN A 36 14.916 9.807 -0.431 1.00 0.00 O ATOM 504 CB GLN A 36 15.317 7.342 1.040 1.00 0.00 C ATOM 505 CG GLN A 36 16.465 8.109 1.676 1.00 0.00 C ATOM 506 CD GLN A 36 16.378 8.141 3.190 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.221 7.574 3.884 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.353 8.807 3.710 1.00 0.00 N ATOM 0 H GLN A 36 13.473 6.901 -0.609 1.00 0.00 H new ATOM 0 HA GLN A 36 13.574 8.134 2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.167 6.411 1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.592 7.073 0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.410 7.653 1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.470 9.130 1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.677 9.263 3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.242 8.863 4.722 1.00 0.00 H new ATOM 517 N GLY A 37 13.732 10.508 1.349 1.00 0.00 N ATOM 518 CA GLY A 37 13.914 11.911 1.027 1.00 0.00 C ATOM 519 C GLY A 37 12.955 12.390 -0.045 1.00 0.00 C ATOM 520 O GLY A 37 13.143 13.461 -0.621 1.00 0.00 O ATOM 0 H GLY A 37 13.184 10.329 2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.774 12.508 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.939 12.074 0.692 1.00 0.00 H new ATOM 524 N GLN A 38 11.924 11.595 -0.312 1.00 0.00 N ATOM 525 CA GLN A 38 10.933 11.943 -1.323 1.00 0.00 C ATOM 526 C GLN A 38 9.780 12.729 -0.707 1.00 0.00 C ATOM 527 O GLN A 38 9.706 12.890 0.511 1.00 0.00 O ATOM 528 CB GLN A 38 10.400 10.680 -2.002 1.00 0.00 C ATOM 529 CG GLN A 38 11.368 10.074 -3.005 1.00 0.00 C ATOM 530 CD GLN A 38 12.154 11.124 -3.766 1.00 0.00 C ATOM 531 OE1 GLN A 38 13.373 11.223 -3.629 1.00 0.00 O ATOM 532 NE2 GLN A 38 11.457 11.914 -4.574 1.00 0.00 N ATOM 0 H GLN A 38 11.753 10.706 0.158 1.00 0.00 H new ATOM 0 HA GLN A 38 11.418 12.571 -2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.169 9.937 -1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.465 10.917 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.061 9.415 -2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.813 9.457 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.447 11.796 -4.656 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.931 12.639 -5.112 1.00 0.00 H new ATOM 541 N ARG A 39 8.882 13.216 -1.557 1.00 0.00 N ATOM 542 CA ARG A 39 7.733 13.987 -1.097 1.00 0.00 C ATOM 543 C ARG A 39 6.799 13.121 -0.257 1.00 0.00 C ATOM 544 O ARG A 39 6.405 12.030 -0.672 1.00 0.00 O ATOM 545 CB ARG A 39 6.972 14.569 -2.289 1.00 0.00 C ATOM 546 CG ARG A 39 6.524 13.523 -3.296 1.00 0.00 C ATOM 547 CD ARG A 39 5.458 14.070 -4.232 1.00 0.00 C ATOM 548 NE ARG A 39 6.041 14.762 -5.379 1.00 0.00 N ATOM 549 CZ ARG A 39 5.325 15.441 -6.268 1.00 0.00 C ATOM 550 NH1 ARG A 39 4.007 15.520 -6.143 1.00 0.00 N ATOM 551 NH2 ARG A 39 5.927 16.044 -7.286 1.00 0.00 N ATOM 0 H ARG A 39 8.928 13.090 -2.568 1.00 0.00 H new ATOM 0 HA ARG A 39 8.100 14.804 -0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.097 15.107 -1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.606 15.298 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.382 13.186 -3.878 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.134 12.652 -2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.829 13.252 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.812 14.756 -3.684 1.00 0.00 H new ATOM 0 HE ARG A 39 7.053 14.721 -5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.540 15.058 -5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.460 16.042 -6.828 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.940 15.986 -7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.376 16.565 -7.968 1.00 0.00 H new ATOM 565 N HIS A 40 6.449 13.613 0.927 1.00 0.00 N ATOM 566 CA HIS A 40 5.561 12.884 1.826 1.00 0.00 C ATOM 567 C HIS A 40 4.288 12.457 1.103 1.00 0.00 C ATOM 568 O HIS A 40 3.606 13.276 0.489 1.00 0.00 O ATOM 569 CB HIS A 40 5.208 13.747 3.038 1.00 0.00 C ATOM 570 CG HIS A 40 6.384 14.064 3.910 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.408 15.134 4.780 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.579 13.444 4.045 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.569 15.160 5.410 1.00 0.00 C ATOM 574 NE2 HIS A 40 8.298 14.144 4.983 1.00 0.00 N ATOM 0 H HIS A 40 6.767 14.513 1.286 1.00 0.00 H new ATOM 0 HA HIS A 40 6.082 11.989 2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.761 14.679 2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.453 13.232 3.633 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.648 15.801 4.916 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.907 12.563 3.514 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.871 15.888 6.148 1.00 0.00 H new ATOM 583 N GLY A 41 3.974 11.167 1.180 1.00 0.00 N ATOM 584 CA GLY A 41 2.783 10.653 0.528 1.00 0.00 C ATOM 585 C GLY A 41 3.070 9.432 -0.323 1.00 0.00 C ATOM 586 O GLY A 41 2.245 8.523 -0.413 1.00 0.00 O ATOM 0 H GLY A 41 4.523 10.469 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.040 10.399 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.349 11.434 -0.097 1.00 0.00 H new ATOM 590 N MET A 42 4.242 9.410 -0.949 1.00 0.00 N ATOM 591 CA MET A 42 4.635 8.291 -1.797 1.00 0.00 C ATOM 592 C MET A 42 4.476 6.966 -1.058 1.00 0.00 C ATOM 593 O MET A 42 4.631 6.903 0.162 1.00 0.00 O ATOM 594 CB MET A 42 6.083 8.459 -2.261 1.00 0.00 C ATOM 595 CG MET A 42 6.363 7.834 -3.618 1.00 0.00 C ATOM 596 SD MET A 42 7.982 8.285 -4.270 1.00 0.00 S ATOM 597 CE MET A 42 7.657 9.940 -4.871 1.00 0.00 C ATOM 0 H MET A 42 4.936 10.155 -0.885 1.00 0.00 H new ATOM 0 HA MET A 42 3.981 8.281 -2.669 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.321 9.522 -2.304 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.747 8.013 -1.521 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.299 6.749 -3.534 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.592 8.145 -4.323 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.514 10.294 -5.445 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.773 9.928 -5.509 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.486 10.607 -4.026 1.00 0.00 H new ATOM 607 N PHE A 43 4.165 5.911 -1.803 1.00 0.00 N ATOM 608 CA PHE A 43 3.983 4.588 -1.218 1.00 0.00 C ATOM 609 C PHE A 43 4.262 3.496 -2.246 1.00 0.00 C ATOM 610 O PHE A 43 4.333 3.760 -3.447 1.00 0.00 O ATOM 611 CB PHE A 43 2.562 4.440 -0.671 1.00 0.00 C ATOM 612 CG PHE A 43 1.556 4.046 -1.715 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.334 2.711 -2.014 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.833 5.011 -2.398 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.410 2.347 -2.975 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.093 4.652 -3.360 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.305 3.318 -3.648 1.00 0.00 C ATOM 0 H PHE A 43 4.034 5.946 -2.814 1.00 0.00 H new ATOM 0 HA PHE A 43 4.693 4.480 -0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.563 3.692 0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.255 5.383 -0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.889 1.947 -1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.995 6.056 -2.176 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.247 1.303 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.650 5.414 -3.886 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.029 3.035 -4.398 1.00 0.00 H new ATOM 627 N LEU A 44 4.419 2.267 -1.766 1.00 0.00 N ATOM 628 CA LEU A 44 4.691 1.132 -2.642 1.00 0.00 C ATOM 629 C LEU A 44 4.606 -0.182 -1.873 1.00 0.00 C ATOM 630 O LEU A 44 5.180 -0.319 -0.793 1.00 0.00 O ATOM 631 CB LEU A 44 6.073 1.275 -3.281 1.00 0.00 C ATOM 632 CG LEU A 44 7.268 1.091 -2.344 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.508 -0.385 -2.070 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.513 1.735 -2.934 1.00 0.00 C ATOM 0 H LEU A 44 4.363 2.031 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 44 3.935 1.121 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.155 0.548 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.141 2.264 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 44 7.043 1.584 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.362 -0.497 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.623 -0.817 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.712 -0.901 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.353 1.594 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.742 1.272 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.338 2.801 -3.078 1.00 0.00 H new ATOM 646 N VAL A 45 3.889 -1.148 -2.438 1.00 0.00 N ATOM 647 CA VAL A 45 3.732 -2.453 -1.808 1.00 0.00 C ATOM 648 C VAL A 45 4.662 -3.483 -2.438 1.00 0.00 C ATOM 649 O VAL A 45 4.668 -3.666 -3.656 1.00 0.00 O ATOM 650 CB VAL A 45 2.280 -2.956 -1.913 1.00 0.00 C ATOM 651 CG1 VAL A 45 2.099 -4.235 -1.109 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.309 -1.882 -1.448 1.00 0.00 C ATOM 0 H VAL A 45 3.407 -1.051 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 45 3.991 -2.330 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 45 2.065 -3.179 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.067 -4.576 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.768 -5.004 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.332 -4.042 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.288 -2.255 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.520 -1.625 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.422 -0.995 -2.071 1.00 0.00 H new ATOM 662 N ARG A 46 5.448 -4.154 -1.601 1.00 0.00 N ATOM 663 CA ARG A 46 6.383 -5.166 -2.077 1.00 0.00 C ATOM 664 C ARG A 46 6.261 -6.447 -1.257 1.00 0.00 C ATOM 665 O ARG A 46 5.797 -6.424 -0.117 1.00 0.00 O ATOM 666 CB ARG A 46 7.817 -4.638 -2.007 1.00 0.00 C ATOM 667 CG ARG A 46 8.048 -3.649 -0.876 1.00 0.00 C ATOM 668 CD ARG A 46 9.527 -3.343 -0.697 1.00 0.00 C ATOM 669 NE ARG A 46 10.152 -4.223 0.287 1.00 0.00 N ATOM 670 CZ ARG A 46 10.108 -4.009 1.597 1.00 0.00 C ATOM 671 NH1 ARG A 46 9.470 -2.951 2.079 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.701 -4.855 2.429 1.00 0.00 N ATOM 0 H ARG A 46 5.455 -4.015 -0.591 1.00 0.00 H new ATOM 0 HA ARG A 46 6.137 -5.394 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.499 -5.479 -1.887 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.065 -4.158 -2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.507 -2.726 -1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.644 -4.055 0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.038 -3.449 -1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.648 -2.306 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 46 10.650 -5.047 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.011 -2.299 1.443 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.438 -2.790 3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.191 -5.671 2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.667 -4.690 3.435 1.00 0.00 H new ATOM 686 N ASP A 47 6.680 -7.562 -1.846 1.00 0.00 N ATOM 687 CA ASP A 47 6.618 -8.853 -1.170 1.00 0.00 C ATOM 688 C ASP A 47 7.494 -8.855 0.079 1.00 0.00 C ATOM 689 O ASP A 47 8.687 -8.557 0.013 1.00 0.00 O ATOM 690 CB ASP A 47 7.057 -9.970 -2.118 1.00 0.00 C ATOM 691 CG ASP A 47 6.791 -11.350 -1.550 1.00 0.00 C ATOM 692 OD1 ASP A 47 5.767 -11.517 -0.855 1.00 0.00 O ATOM 693 OD2 ASP A 47 7.606 -12.262 -1.799 1.00 0.00 O ATOM 0 H ASP A 47 7.066 -7.598 -2.789 1.00 0.00 H new ATOM 0 HA ASP A 47 5.586 -9.028 -0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.532 -9.864 -3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.121 -9.866 -2.329 1.00 0.00 H new ATOM 698 N SER A 48 6.894 -9.191 1.216 1.00 0.00 N ATOM 699 CA SER A 48 7.618 -9.227 2.481 1.00 0.00 C ATOM 700 C SER A 48 8.890 -10.061 2.355 1.00 0.00 C ATOM 701 O SER A 48 9.209 -10.568 1.280 1.00 0.00 O ATOM 702 CB SER A 48 6.728 -9.798 3.586 1.00 0.00 C ATOM 703 OG SER A 48 7.221 -9.451 4.869 1.00 0.00 O ATOM 0 H SER A 48 5.908 -9.442 1.287 1.00 0.00 H new ATOM 0 HA SER A 48 7.898 -8.206 2.741 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.712 -9.422 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.679 -10.883 3.493 1.00 0.00 H new ATOM 0 HG SER A 48 6.712 -8.691 5.220 1.00 0.00 H new ATOM 709 N SER A 49 9.612 -10.198 3.463 1.00 0.00 N ATOM 710 CA SER A 49 10.851 -10.966 3.477 1.00 0.00 C ATOM 711 C SER A 49 10.826 -12.016 4.584 1.00 0.00 C ATOM 712 O SER A 49 10.984 -13.210 4.328 1.00 0.00 O ATOM 713 CB SER A 49 12.050 -10.036 3.668 1.00 0.00 C ATOM 714 OG SER A 49 13.224 -10.595 3.105 1.00 0.00 O ATOM 0 H SER A 49 9.360 -9.787 4.362 1.00 0.00 H new ATOM 0 HA SER A 49 10.945 -11.476 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.844 -9.072 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.205 -9.851 4.731 1.00 0.00 H new ATOM 0 HG SER A 49 13.976 -9.980 3.239 1.00 0.00 H new ATOM 720 N THR A 50 10.625 -11.563 5.818 1.00 0.00 N ATOM 721 CA THR A 50 10.580 -12.461 6.964 1.00 0.00 C ATOM 722 C THR A 50 9.149 -12.666 7.447 1.00 0.00 C ATOM 723 O THR A 50 8.912 -12.915 8.629 1.00 0.00 O ATOM 724 CB THR A 50 11.432 -11.925 8.131 1.00 0.00 C ATOM 725 OG1 THR A 50 11.183 -10.527 8.318 1.00 0.00 O ATOM 726 CG2 THR A 50 12.913 -12.151 7.869 1.00 0.00 C ATOM 0 H THR A 50 10.491 -10.578 6.048 1.00 0.00 H new ATOM 0 HA THR A 50 10.989 -13.416 6.633 1.00 0.00 H new ATOM 0 HB THR A 50 11.153 -12.467 9.034 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.727 -10.195 9.062 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.494 -11.764 8.706 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.104 -13.218 7.757 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.204 -11.632 6.956 1.00 0.00 H new ATOM 734 N CYS A 51 8.198 -12.560 6.525 1.00 0.00 N ATOM 735 CA CYS A 51 6.789 -12.733 6.857 1.00 0.00 C ATOM 736 C CYS A 51 6.118 -13.703 5.889 1.00 0.00 C ATOM 737 O CYS A 51 6.321 -13.648 4.676 1.00 0.00 O ATOM 738 CB CYS A 51 6.067 -11.385 6.830 1.00 0.00 C ATOM 739 SG CYS A 51 6.919 -10.073 7.736 1.00 0.00 S ATOM 0 H CYS A 51 8.378 -12.355 5.542 1.00 0.00 H new ATOM 0 HA CYS A 51 6.727 -13.149 7.862 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.941 -11.073 5.793 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.068 -11.511 7.248 1.00 0.00 H new ATOM 0 HG CYS A 51 7.500 -9.271 6.894 1.00 0.00 H new ATOM 745 N PRO A 52 5.300 -14.614 6.436 1.00 0.00 N ATOM 746 CA PRO A 52 4.583 -15.614 5.640 1.00 0.00 C ATOM 747 C PRO A 52 3.482 -14.995 4.786 1.00 0.00 C ATOM 748 O PRO A 52 2.601 -14.304 5.297 1.00 0.00 O ATOM 749 CB PRO A 52 3.981 -16.544 6.696 1.00 0.00 C ATOM 750 CG PRO A 52 3.856 -15.700 7.917 1.00 0.00 C ATOM 751 CD PRO A 52 5.011 -14.738 7.875 1.00 0.00 C ATOM 0 HA PRO A 52 5.241 -16.119 4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.011 -16.928 6.379 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.622 -17.407 6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.905 -15.168 7.928 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.890 -16.311 8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.749 -13.776 8.317 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.871 -15.118 8.426 1.00 0.00 H new ATOM 759 N GLY A 53 3.538 -15.246 3.481 1.00 0.00 N ATOM 760 CA GLY A 53 2.540 -14.706 2.578 1.00 0.00 C ATOM 761 C GLY A 53 2.032 -13.348 3.020 1.00 0.00 C ATOM 762 O GLY A 53 0.826 -13.143 3.157 1.00 0.00 O ATOM 0 H GLY A 53 4.258 -15.814 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.966 -14.623 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.702 -15.400 2.511 1.00 0.00 H new ATOM 766 N ASP A 54 2.954 -12.418 3.246 1.00 0.00 N ATOM 767 CA ASP A 54 2.593 -11.073 3.676 1.00 0.00 C ATOM 768 C ASP A 54 3.148 -10.027 2.714 1.00 0.00 C ATOM 769 O ASP A 54 3.835 -10.361 1.747 1.00 0.00 O ATOM 770 CB ASP A 54 3.113 -10.810 5.090 1.00 0.00 C ATOM 771 CG ASP A 54 2.124 -11.232 6.159 1.00 0.00 C ATOM 772 OD1 ASP A 54 0.904 -11.154 5.902 1.00 0.00 O ATOM 773 OD2 ASP A 54 2.570 -11.642 7.251 1.00 0.00 O ATOM 0 H ASP A 54 3.957 -12.572 3.138 1.00 0.00 H new ATOM 0 HA ASP A 54 1.506 -10.998 3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.051 -11.347 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.333 -9.748 5.201 1.00 0.00 H new ATOM 778 N TYR A 55 2.846 -8.762 2.984 1.00 0.00 N ATOM 779 CA TYR A 55 3.312 -7.668 2.140 1.00 0.00 C ATOM 780 C TYR A 55 3.852 -6.519 2.987 1.00 0.00 C ATOM 781 O TYR A 55 3.712 -6.515 4.210 1.00 0.00 O ATOM 782 CB TYR A 55 2.177 -7.167 1.245 1.00 0.00 C ATOM 783 CG TYR A 55 1.735 -8.174 0.208 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.651 -8.751 -0.664 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.402 -8.549 0.099 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.251 -9.671 -1.614 1.00 0.00 C ATOM 787 CE2 TYR A 55 -0.007 -9.469 -0.847 1.00 0.00 C ATOM 788 CZ TYR A 55 0.922 -10.027 -1.701 1.00 0.00 C ATOM 789 OH TYR A 55 0.519 -10.943 -2.646 1.00 0.00 O ATOM 0 H TYR A 55 2.281 -8.469 3.781 1.00 0.00 H new ATOM 0 HA TYR A 55 4.120 -8.045 1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.323 -6.902 1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.498 -6.256 0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.693 -8.475 -0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.328 -8.114 0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.975 -10.109 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.047 -9.750 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.448 -11.084 -2.573 1.00 0.00 H new ATOM 799 N VAL A 56 4.470 -5.546 2.326 1.00 0.00 N ATOM 800 CA VAL A 56 5.030 -4.389 3.015 1.00 0.00 C ATOM 801 C VAL A 56 4.782 -3.107 2.229 1.00 0.00 C ATOM 802 O VAL A 56 5.254 -2.956 1.101 1.00 0.00 O ATOM 803 CB VAL A 56 6.544 -4.552 3.245 1.00 0.00 C ATOM 804 CG1 VAL A 56 7.128 -3.295 3.871 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.823 -5.769 4.115 1.00 0.00 C ATOM 0 H VAL A 56 4.596 -5.536 1.314 1.00 0.00 H new ATOM 0 HA VAL A 56 4.528 -4.322 3.980 1.00 0.00 H new ATOM 0 HB VAL A 56 7.025 -4.706 2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.199 -3.429 4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.961 -2.447 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.644 -3.107 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.898 -5.869 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.330 -5.648 5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.442 -6.663 3.622 1.00 0.00 H new ATOM 815 N LEU A 57 4.039 -2.185 2.831 1.00 0.00 N ATOM 816 CA LEU A 57 3.727 -0.914 2.187 1.00 0.00 C ATOM 817 C LEU A 57 4.686 0.180 2.649 1.00 0.00 C ATOM 818 O LEU A 57 4.477 0.802 3.691 1.00 0.00 O ATOM 819 CB LEU A 57 2.285 -0.505 2.491 1.00 0.00 C ATOM 820 CG LEU A 57 1.729 0.658 1.670 1.00 0.00 C ATOM 821 CD1 LEU A 57 0.244 0.841 1.940 1.00 0.00 C ATOM 822 CD2 LEU A 57 2.491 1.940 1.977 1.00 0.00 C ATOM 0 H LEU A 57 3.641 -2.294 3.764 1.00 0.00 H new ATOM 0 HA LEU A 57 3.842 -1.043 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.643 -1.372 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.218 -0.243 3.547 1.00 0.00 H new ATOM 0 HG LEU A 57 1.859 0.426 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.134 1.674 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.290 -0.070 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.090 1.051 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.082 2.758 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.393 2.176 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.544 1.805 1.731 1.00 0.00 H new ATOM 834 N SER A 58 5.735 0.409 1.867 1.00 0.00 N ATOM 835 CA SER A 58 6.727 1.426 2.197 1.00 0.00 C ATOM 836 C SER A 58 6.210 2.820 1.854 1.00 0.00 C ATOM 837 O SER A 58 6.044 3.163 0.683 1.00 0.00 O ATOM 838 CB SER A 58 8.034 1.156 1.448 1.00 0.00 C ATOM 839 OG SER A 58 8.423 -0.201 1.575 1.00 0.00 O ATOM 0 H SER A 58 5.921 -0.096 1.000 1.00 0.00 H new ATOM 0 HA SER A 58 6.915 1.381 3.270 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.911 1.405 0.394 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.821 1.801 1.839 1.00 0.00 H new ATOM 0 HG SER A 58 8.954 -0.314 2.391 1.00 0.00 H new ATOM 845 N VAL A 59 5.957 3.620 2.885 1.00 0.00 N ATOM 846 CA VAL A 59 5.459 4.977 2.695 1.00 0.00 C ATOM 847 C VAL A 59 6.497 6.008 3.125 1.00 0.00 C ATOM 848 O VAL A 59 7.318 5.748 4.004 1.00 0.00 O ATOM 849 CB VAL A 59 4.159 5.214 3.484 1.00 0.00 C ATOM 850 CG1 VAL A 59 4.149 6.609 4.091 1.00 0.00 C ATOM 851 CG2 VAL A 59 2.947 5.005 2.589 1.00 0.00 C ATOM 0 H VAL A 59 6.089 3.352 3.860 1.00 0.00 H new ATOM 0 HA VAL A 59 5.255 5.093 1.631 1.00 0.00 H new ATOM 0 HB VAL A 59 4.111 4.490 4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.222 6.758 4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.997 6.718 4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.220 7.352 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.037 5.177 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.986 5.704 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.948 3.984 2.208 1.00 0.00 H new ATOM 861 N SER A 60 6.454 7.180 2.499 1.00 0.00 N ATOM 862 CA SER A 60 7.393 8.250 2.815 1.00 0.00 C ATOM 863 C SER A 60 6.773 9.247 3.789 1.00 0.00 C ATOM 864 O SER A 60 6.034 10.145 3.388 1.00 0.00 O ATOM 865 CB SER A 60 7.825 8.971 1.536 1.00 0.00 C ATOM 866 OG SER A 60 9.123 9.523 1.676 1.00 0.00 O ATOM 0 H SER A 60 5.779 7.412 1.770 1.00 0.00 H new ATOM 0 HA SER A 60 8.269 7.804 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.811 8.273 0.699 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.113 9.763 1.303 1.00 0.00 H new ATOM 0 HG SER A 60 9.742 9.060 1.074 1.00 0.00 H new ATOM 872 N GLU A 61 7.080 9.079 5.072 1.00 0.00 N ATOM 873 CA GLU A 61 6.552 9.964 6.105 1.00 0.00 C ATOM 874 C GLU A 61 7.586 10.194 7.203 1.00 0.00 C ATOM 875 O GLU A 61 8.368 9.303 7.531 1.00 0.00 O ATOM 876 CB GLU A 61 5.274 9.376 6.706 1.00 0.00 C ATOM 877 CG GLU A 61 4.581 10.305 7.689 1.00 0.00 C ATOM 878 CD GLU A 61 3.771 9.555 8.728 1.00 0.00 C ATOM 879 OE1 GLU A 61 2.632 9.149 8.415 1.00 0.00 O ATOM 880 OE2 GLU A 61 4.276 9.373 9.856 1.00 0.00 O ATOM 0 H GLU A 61 7.690 8.340 5.421 1.00 0.00 H new ATOM 0 HA GLU A 61 6.319 10.923 5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.582 9.132 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.517 8.441 7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.328 10.920 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.925 10.983 7.142 1.00 0.00 H new ATOM 887 N ASN A 62 7.582 11.397 7.768 1.00 0.00 N ATOM 888 CA ASN A 62 8.519 11.747 8.829 1.00 0.00 C ATOM 889 C ASN A 62 9.960 11.637 8.340 1.00 0.00 C ATOM 890 O ASN A 62 10.783 10.954 8.949 1.00 0.00 O ATOM 891 CB ASN A 62 8.310 10.838 10.043 1.00 0.00 C ATOM 892 CG ASN A 62 7.192 11.325 10.944 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.196 12.472 11.391 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.228 10.453 11.215 1.00 0.00 N ATOM 0 H ASN A 62 6.940 12.146 7.509 1.00 0.00 H new ATOM 0 HA ASN A 62 8.330 12.780 9.120 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.084 9.828 9.702 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.236 10.782 10.615 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.450 10.724 11.816 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.266 9.512 10.822 1.00 0.00 H new ATOM 901 N SER A 63 10.258 12.316 7.237 1.00 0.00 N ATOM 902 CA SER A 63 11.598 12.292 6.663 1.00 0.00 C ATOM 903 C SER A 63 12.190 10.887 6.722 1.00 0.00 C ATOM 904 O SER A 63 13.399 10.717 6.880 1.00 0.00 O ATOM 905 CB SER A 63 12.510 13.273 7.404 1.00 0.00 C ATOM 906 OG SER A 63 12.349 14.591 6.909 1.00 0.00 O ATOM 0 H SER A 63 9.589 12.890 6.723 1.00 0.00 H new ATOM 0 HA SER A 63 11.524 12.593 5.618 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.283 13.251 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.549 12.964 7.293 1.00 0.00 H new ATOM 0 HG SER A 63 12.941 15.199 7.399 1.00 0.00 H new ATOM 912 N ARG A 64 11.329 9.884 6.594 1.00 0.00 N ATOM 913 CA ARG A 64 11.765 8.493 6.634 1.00 0.00 C ATOM 914 C ARG A 64 10.790 7.596 5.877 1.00 0.00 C ATOM 915 O ARG A 64 9.762 8.057 5.381 1.00 0.00 O ATOM 916 CB ARG A 64 11.892 8.017 8.082 1.00 0.00 C ATOM 917 CG ARG A 64 10.556 7.853 8.789 1.00 0.00 C ATOM 918 CD ARG A 64 10.642 6.831 9.912 1.00 0.00 C ATOM 919 NE ARG A 64 9.666 7.093 10.966 1.00 0.00 N ATOM 920 CZ ARG A 64 9.554 6.353 12.064 1.00 0.00 C ATOM 921 NH1 ARG A 64 10.353 5.312 12.250 1.00 0.00 N ATOM 922 NH2 ARG A 64 8.642 6.656 12.979 1.00 0.00 N ATOM 0 H ARG A 64 10.325 10.008 6.462 1.00 0.00 H new ATOM 0 HA ARG A 64 12.740 8.430 6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.421 7.064 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.502 8.729 8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.237 8.814 9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.798 7.542 8.070 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.479 5.832 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.646 6.842 10.336 1.00 0.00 H new ATOM 0 HE ARG A 64 9.036 7.887 10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.056 5.077 11.549 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.265 4.746 13.094 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.026 7.457 12.840 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.556 6.088 13.822 1.00 0.00 H new ATOM 936 N VAL A 65 11.121 6.311 5.791 1.00 0.00 N ATOM 937 CA VAL A 65 10.275 5.349 5.095 1.00 0.00 C ATOM 938 C VAL A 65 9.406 4.570 6.076 1.00 0.00 C ATOM 939 O VAL A 65 9.857 3.601 6.687 1.00 0.00 O ATOM 940 CB VAL A 65 11.116 4.356 4.271 1.00 0.00 C ATOM 941 CG1 VAL A 65 10.241 3.620 3.267 1.00 0.00 C ATOM 942 CG2 VAL A 65 12.255 5.078 3.568 1.00 0.00 C ATOM 0 H VAL A 65 11.969 5.913 6.195 1.00 0.00 H new ATOM 0 HA VAL A 65 9.635 5.919 4.421 1.00 0.00 H new ATOM 0 HB VAL A 65 11.547 3.620 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.852 2.923 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.463 3.070 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.780 4.339 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.839 4.361 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.847 5.836 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.896 5.555 4.309 1.00 0.00 H new ATOM 952 N SER A 66 8.157 5.000 6.222 1.00 0.00 N ATOM 953 CA SER A 66 7.224 4.345 7.132 1.00 0.00 C ATOM 954 C SER A 66 6.737 3.021 6.550 1.00 0.00 C ATOM 955 O SER A 66 5.742 2.976 5.826 1.00 0.00 O ATOM 956 CB SER A 66 6.031 5.259 7.418 1.00 0.00 C ATOM 957 OG SER A 66 6.375 6.271 8.348 1.00 0.00 O ATOM 0 H SER A 66 7.767 5.799 5.722 1.00 0.00 H new ATOM 0 HA SER A 66 7.748 4.141 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.688 5.715 6.490 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.202 4.669 7.808 1.00 0.00 H new ATOM 0 HG SER A 66 5.564 6.742 8.634 1.00 0.00 H new ATOM 963 N HIS A 67 7.446 1.944 6.873 1.00 0.00 N ATOM 964 CA HIS A 67 7.087 0.617 6.384 1.00 0.00 C ATOM 965 C HIS A 67 5.843 0.094 7.095 1.00 0.00 C ATOM 966 O HIS A 67 5.895 -0.272 8.270 1.00 0.00 O ATOM 967 CB HIS A 67 8.249 -0.355 6.583 1.00 0.00 C ATOM 968 CG HIS A 67 9.473 0.005 5.798 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.740 -0.504 4.544 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.504 0.831 6.094 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.882 -0.009 4.104 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.366 0.805 5.026 1.00 0.00 N ATOM 0 H HIS A 67 8.272 1.964 7.471 1.00 0.00 H new ATOM 0 HA HIS A 67 6.869 0.697 5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.504 -0.391 7.642 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.927 -1.357 6.299 1.00 0.00 H new ATOM 0 HD1 HIS A 67 9.147 -1.161 4.036 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.626 1.404 7.001 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.342 -0.231 3.153 1.00 0.00 H new ATOM 981 N TYR A 68 4.726 0.063 6.377 1.00 0.00 N ATOM 982 CA TYR A 68 3.468 -0.412 6.941 1.00 0.00 C ATOM 983 C TYR A 68 3.204 -1.861 6.542 1.00 0.00 C ATOM 984 O TYR A 68 2.664 -2.132 5.469 1.00 0.00 O ATOM 985 CB TYR A 68 2.310 0.474 6.479 1.00 0.00 C ATOM 986 CG TYR A 68 2.480 1.931 6.846 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.678 2.317 8.166 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.442 2.922 5.872 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.832 3.647 8.505 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.597 4.254 6.203 1.00 0.00 C ATOM 991 CZ TYR A 68 2.791 4.612 7.521 1.00 0.00 C ATOM 992 OH TYR A 68 2.946 5.938 7.855 1.00 0.00 O ATOM 0 H TYR A 68 4.666 0.361 5.403 1.00 0.00 H new ATOM 0 HA TYR A 68 3.545 -0.361 8.027 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.208 0.390 5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.383 0.103 6.916 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.712 1.564 8.940 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.289 2.646 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.984 3.930 9.536 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.566 5.011 5.434 1.00 0.00 H new ATOM 0 HH TYR A 68 2.892 6.488 7.045 1.00 0.00 H new ATOM 1002 N ILE A 69 3.590 -2.787 7.413 1.00 0.00 N ATOM 1003 CA ILE A 69 3.394 -4.208 7.153 1.00 0.00 C ATOM 1004 C ILE A 69 1.912 -4.546 7.033 1.00 0.00 C ATOM 1005 O ILE A 69 1.079 -3.997 7.755 1.00 0.00 O ATOM 1006 CB ILE A 69 4.018 -5.075 8.263 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.540 -4.913 8.271 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.636 -6.535 8.073 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.222 -5.674 9.387 1.00 0.00 C ATOM 0 H ILE A 69 4.040 -2.579 8.304 1.00 0.00 H new ATOM 0 HA ILE A 69 3.892 -4.427 6.208 1.00 0.00 H new ATOM 0 HB ILE A 69 3.631 -4.741 9.226 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.939 -5.252 7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.784 -3.855 8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.085 -7.135 8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.551 -6.635 8.112 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.998 -6.883 7.105 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.299 -5.514 9.332 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.851 -5.319 10.349 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.008 -6.738 9.286 1.00 0.00 H new ATOM 1021 N ILE A 70 1.590 -5.454 6.117 1.00 0.00 N ATOM 1022 CA ILE A 70 0.209 -5.867 5.905 1.00 0.00 C ATOM 1023 C ILE A 70 0.018 -7.342 6.241 1.00 0.00 C ATOM 1024 O ILE A 70 0.491 -8.220 5.520 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.235 -5.623 4.450 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.085 -4.143 4.090 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.672 -6.079 4.251 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.267 -3.797 3.507 1.00 0.00 C ATOM 0 H ILE A 70 2.267 -5.917 5.511 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.406 -5.262 6.571 1.00 0.00 H new ATOM 0 HB ILE A 70 0.405 -6.206 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.861 -3.871 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.251 -3.541 4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.971 -5.900 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.750 -7.144 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.327 -5.521 4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.302 -2.732 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.047 -4.037 4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.428 -4.372 2.595 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.679 -7.607 7.341 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.934 -8.977 7.773 1.00 0.00 C ATOM 1042 C ASN A 71 -1.897 -9.678 6.819 1.00 0.00 C ATOM 1043 O ASN A 71 -2.833 -9.066 6.306 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.506 -8.988 9.192 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.530 -8.435 10.213 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.888 -7.594 11.038 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.711 -8.905 10.161 1.00 0.00 N ATOM 0 H ASN A 71 -1.077 -6.892 7.949 1.00 0.00 H new ATOM 0 HA ASN A 71 0.013 -9.516 7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.424 -8.401 9.215 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.774 -10.009 9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.412 -8.569 10.822 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.964 -9.602 9.460 1.00 0.00 H new ATOM 1054 N SER A 72 -1.659 -10.965 6.587 1.00 0.00 N ATOM 1055 CA SER A 72 -2.503 -11.749 5.693 1.00 0.00 C ATOM 1056 C SER A 72 -3.562 -12.515 6.479 1.00 0.00 C ATOM 1057 O SER A 72 -3.265 -13.515 7.135 1.00 0.00 O ATOM 1058 CB SER A 72 -1.651 -12.725 4.879 1.00 0.00 C ATOM 1059 OG SER A 72 -2.452 -13.739 4.298 1.00 0.00 O ATOM 0 H SER A 72 -0.889 -11.487 7.006 1.00 0.00 H new ATOM 0 HA SER A 72 -3.006 -11.062 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.120 -12.183 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.896 -13.177 5.522 1.00 0.00 H new ATOM 0 HG SER A 72 -1.884 -14.349 3.782 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.801 -12.040 6.408 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.907 -12.679 7.113 1.00 0.00 C ATOM 1067 C LEU A 73 -6.275 -14.006 6.458 1.00 0.00 C ATOM 1068 O LEU A 73 -6.180 -14.175 5.242 1.00 0.00 O ATOM 1069 CB LEU A 73 -7.125 -11.754 7.136 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.905 -10.369 7.745 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -8.219 -9.609 7.833 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.262 -10.487 9.120 1.00 0.00 C ATOM 0 H LEU A 73 -5.065 -11.215 5.870 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.588 -12.876 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.479 -11.627 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.922 -12.250 7.690 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.230 -9.811 7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.042 -8.626 8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.640 -9.493 6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.918 -10.163 8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.113 -9.492 9.538 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.913 -11.063 9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.300 -10.991 9.030 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.708 -14.973 7.282 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.102 -16.302 6.805 1.00 0.00 C ATOM 1086 C PRO A 74 -8.398 -16.269 6.003 1.00 0.00 C ATOM 1087 O PRO A 74 -8.661 -17.158 5.194 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.292 -17.100 8.097 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.611 -16.077 9.131 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.846 -14.842 8.742 1.00 0.00 C ATOM 0 HA PRO A 74 -6.361 -16.729 6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.098 -17.827 7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.391 -17.656 8.355 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.682 -15.878 9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.319 -16.421 10.123 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.383 -13.934 9.015 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.875 -14.799 9.235 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.205 -15.238 6.232 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.474 -15.090 5.530 1.00 0.00 C ATOM 1100 C ASN A 75 -10.279 -14.372 4.198 1.00 0.00 C ATOM 1101 O ASN A 75 -11.026 -13.453 3.862 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.473 -14.319 6.396 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.887 -13.034 6.949 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -11.171 -11.944 6.451 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -10.064 -13.156 7.984 1.00 0.00 N ATOM 0 H ASN A 75 -9.002 -14.493 6.898 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.869 -16.086 5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.359 -14.086 5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.798 -14.952 7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.639 -12.326 8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.857 -14.079 8.365 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.271 -14.799 3.445 1.00 0.00 N ATOM 1113 CA ARG A 76 -8.977 -14.197 2.150 1.00 0.00 C ATOM 1114 C ARG A 76 -9.031 -12.674 2.233 1.00 0.00 C ATOM 1115 O ARG A 76 -9.658 -12.018 1.401 1.00 0.00 O ATOM 1116 CB ARG A 76 -9.967 -14.695 1.095 1.00 0.00 C ATOM 1117 CG ARG A 76 -10.022 -16.210 0.979 1.00 0.00 C ATOM 1118 CD ARG A 76 -10.663 -16.646 -0.329 1.00 0.00 C ATOM 1119 NE ARG A 76 -12.114 -16.475 -0.311 1.00 0.00 N ATOM 1120 CZ ARG A 76 -12.918 -16.922 -1.269 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -12.416 -17.564 -2.315 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -14.228 -16.728 -1.181 1.00 0.00 N ATOM 0 H ARG A 76 -8.644 -15.559 3.709 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.968 -14.493 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.962 -14.321 1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.695 -14.274 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.013 -16.618 1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.587 -16.620 1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.240 -16.068 -1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.424 -17.692 -0.519 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.532 -15.986 0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.410 -17.716 -2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.036 -17.906 -3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.618 -16.235 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.845 -17.071 -1.917 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.369 -12.118 3.243 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.343 -10.674 3.436 1.00 0.00 C ATOM 1138 C ARG A 77 -7.002 -10.226 4.011 1.00 0.00 C ATOM 1139 O ARG A 77 -6.184 -11.050 4.421 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.478 -10.241 4.366 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.734 -9.803 3.631 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.721 -10.951 3.481 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.054 -10.482 3.111 1.00 0.00 N ATOM 1144 CZ ARG A 77 -14.161 -11.188 3.305 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -14.097 -12.389 3.863 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.338 -10.694 2.941 1.00 0.00 N ATOM 0 H ARG A 77 -7.844 -12.646 3.940 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.479 -10.201 2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.726 -11.068 5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.129 -9.420 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.207 -8.984 4.173 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.466 -9.421 2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.358 -11.645 2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.779 -11.504 4.418 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.139 -9.561 2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.195 -12.773 4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.950 -12.929 4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.393 -9.770 2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.188 -11.238 3.091 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.783 -8.916 4.037 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.541 -8.358 4.560 1.00 0.00 C ATOM 1162 C PHE A 78 -5.815 -7.439 5.747 1.00 0.00 C ATOM 1163 O PHE A 78 -6.929 -6.946 5.921 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.802 -7.589 3.464 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.372 -8.451 2.312 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -5.296 -8.894 1.379 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -3.045 -8.819 2.162 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -4.904 -9.688 0.317 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -2.647 -9.612 1.102 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.578 -10.048 0.179 1.00 0.00 C ATOM 0 H PHE A 78 -7.449 -8.220 3.702 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.915 -9.183 4.900 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.447 -6.794 3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.924 -7.110 3.897 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.334 -8.616 1.483 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.313 -8.483 2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.634 -10.026 -0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.609 -9.891 0.995 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.269 -10.669 -0.649 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.789 -7.213 6.561 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.916 -6.352 7.731 1.00 0.00 C ATOM 1182 C LYS A 79 -3.651 -5.526 7.939 1.00 0.00 C ATOM 1183 O LYS A 79 -2.593 -6.065 8.265 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.199 -7.192 8.979 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.198 -6.388 10.267 1.00 0.00 C ATOM 1186 CD LYS A 79 -4.893 -7.263 11.471 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.414 -6.642 12.758 1.00 0.00 C ATOM 1188 NZ LYS A 79 -6.807 -7.075 13.058 1.00 0.00 N ATOM 0 H LYS A 79 -3.860 -7.614 6.432 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.750 -5.671 7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.167 -7.680 8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.451 -7.981 9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.458 -5.591 10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.169 -5.911 10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.344 -8.246 11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.816 -7.414 11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.761 -6.920 13.586 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.381 -5.556 12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.126 -6.630 13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.435 -6.788 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.834 -8.110 13.161 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.768 -4.216 7.748 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.634 -3.316 7.917 1.00 0.00 C ATOM 1204 C ILE A 80 -2.640 -2.679 9.303 1.00 0.00 C ATOM 1205 O ILE A 80 -3.367 -1.719 9.553 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.634 -2.203 6.853 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.521 -1.194 7.138 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -3.988 -1.510 6.812 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -0.980 -0.523 5.894 1.00 0.00 C ATOM 0 H ILE A 80 -4.636 -3.755 7.476 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.733 -3.918 7.800 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.448 -2.653 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.899 -0.430 7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.704 -1.701 7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.973 -0.726 6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.762 -2.237 6.565 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.201 -1.070 7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.194 0.179 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.571 -1.278 5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.785 0.013 5.391 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.821 -3.219 10.200 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.746 -2.689 11.549 1.00 0.00 C ATOM 1223 C GLY A 81 -2.901 -3.147 12.417 1.00 0.00 C ATOM 1224 O GLY A 81 -2.933 -4.294 12.864 1.00 0.00 O ATOM 0 H GLY A 81 -1.208 -4.014 10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.807 -2.999 12.006 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.736 -1.600 11.508 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.850 -2.250 12.659 1.00 0.00 N ATOM 1229 CA ASP A 82 -5.012 -2.568 13.480 1.00 0.00 C ATOM 1230 C ASP A 82 -6.301 -2.421 12.678 1.00 0.00 C ATOM 1231 O ASP A 82 -7.383 -2.275 13.246 1.00 0.00 O ATOM 1232 CB ASP A 82 -5.057 -1.661 14.711 1.00 0.00 C ATOM 1233 CG ASP A 82 -3.872 -1.877 15.632 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -2.732 -1.950 15.126 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -4.084 -1.970 16.859 1.00 0.00 O ATOM 0 H ASP A 82 -3.837 -1.296 12.298 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.923 -3.605 13.805 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.080 -0.619 14.391 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.980 -1.845 15.261 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.176 -2.459 11.355 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.332 -2.328 10.475 1.00 0.00 C ATOM 1242 C GLN A 83 -7.365 -3.455 9.449 1.00 0.00 C ATOM 1243 O GLN A 83 -6.341 -4.071 9.156 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.306 -0.974 9.763 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.402 0.213 10.708 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.775 0.351 11.334 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -8.991 -0.048 12.479 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -9.713 0.919 10.585 1.00 0.00 N ATOM 0 H GLN A 83 -5.287 -2.579 10.869 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.232 -2.392 11.086 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.385 -0.894 9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.132 -0.930 9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.657 0.106 11.496 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.162 1.126 10.164 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.490 1.235 9.641 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.656 1.039 10.954 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.549 -3.720 8.906 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.715 -4.775 7.913 1.00 0.00 C ATOM 1259 C GLU A 84 -9.493 -4.266 6.703 1.00 0.00 C ATOM 1260 O GLU A 84 -10.289 -3.333 6.811 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.436 -5.977 8.528 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.792 -6.483 9.808 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.761 -7.253 10.684 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.915 -6.800 10.833 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.365 -8.309 11.220 1.00 0.00 O ATOM 0 H GLU A 84 -9.407 -3.219 9.137 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.724 -5.086 7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.470 -5.703 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.461 -6.787 7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.947 -7.124 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.394 -5.637 10.369 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.257 -4.886 5.552 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.933 -4.496 4.320 1.00 0.00 C ATOM 1274 C PHE A 85 -10.289 -5.721 3.483 1.00 0.00 C ATOM 1275 O PHE A 85 -9.926 -6.847 3.825 1.00 0.00 O ATOM 1276 CB PHE A 85 -9.051 -3.547 3.507 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.790 -2.236 4.192 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.679 -1.181 4.059 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.657 -2.058 4.968 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.442 0.026 4.688 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.414 -0.852 5.599 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.308 0.191 5.460 1.00 0.00 C ATOM 0 H PHE A 85 -8.602 -5.661 5.446 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.856 -3.982 4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.099 -4.036 3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.527 -3.357 2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.567 -1.304 3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.955 -2.871 5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.143 0.840 4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.526 -0.726 6.200 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.121 1.133 5.953 1.00 0.00 H new ATOM 1292 N ASP A 86 -11.001 -5.493 2.385 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.406 -6.577 1.498 1.00 0.00 C ATOM 1294 C ASP A 86 -10.203 -7.150 0.755 1.00 0.00 C ATOM 1295 O ASP A 86 -10.171 -8.336 0.424 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.451 -6.082 0.496 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.867 -6.241 1.012 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -14.367 -7.386 1.031 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.476 -5.221 1.396 1.00 0.00 O ATOM 0 H ASP A 86 -11.310 -4.567 2.088 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.844 -7.367 2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.265 -5.032 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.344 -6.633 -0.439 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.214 -6.300 0.495 1.00 0.00 N ATOM 1305 CA HIS A 87 -8.009 -6.721 -0.209 1.00 0.00 C ATOM 1306 C HIS A 87 -6.996 -5.582 -0.282 1.00 0.00 C ATOM 1307 O HIS A 87 -7.206 -4.513 0.293 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.357 -7.200 -1.618 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.486 -6.442 -2.247 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.347 -5.166 -2.749 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.777 -6.789 -2.455 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.505 -4.759 -3.237 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.390 -5.726 -3.071 1.00 0.00 N ATOM 0 H HIS A 87 -9.224 -5.316 0.762 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.563 -7.546 0.347 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.474 -7.112 -2.251 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.617 -8.258 -1.579 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.239 -7.727 -2.187 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.696 -3.799 -3.694 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.369 -5.689 -3.354 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.898 -5.817 -0.992 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.852 -4.811 -1.140 1.00 0.00 C ATOM 1324 C LEU A 88 -5.416 -3.521 -1.726 1.00 0.00 C ATOM 1325 O LEU A 88 -5.354 -2.454 -1.116 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.729 -5.342 -2.032 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.543 -5.982 -1.309 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.614 -6.660 -2.304 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.788 -4.940 -0.497 1.00 0.00 C ATOM 0 H LEU A 88 -5.709 -6.696 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.449 -4.593 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.152 -6.078 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.356 -4.519 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.925 -6.740 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.776 -7.110 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.160 -7.435 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.239 -5.922 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.948 -5.413 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.418 -4.159 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.457 -4.500 0.242 1.00 0.00 H new ATOM 1341 N PRO A 89 -5.982 -3.620 -2.938 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.571 -2.471 -3.633 1.00 0.00 C ATOM 1343 C PRO A 89 -7.854 -1.985 -2.965 1.00 0.00 C ATOM 1344 O PRO A 89 -8.567 -1.143 -3.509 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.870 -3.017 -5.031 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.028 -4.486 -4.838 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.091 -4.861 -3.724 1.00 0.00 C ATOM 0 HA PRO A 89 -5.905 -1.608 -3.631 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.775 -2.572 -5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.060 -2.794 -5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.058 -4.737 -4.583 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.784 -5.028 -5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.486 -5.682 -3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.122 -5.182 -4.105 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.140 -2.521 -1.783 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.335 -2.140 -1.041 1.00 0.00 C ATOM 1357 C ALA A 90 -8.976 -1.316 0.191 1.00 0.00 C ATOM 1358 O ALA A 90 -9.818 -0.604 0.741 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.124 -3.378 -0.639 1.00 0.00 C ATOM 0 H ALA A 90 -7.560 -3.220 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.955 -1.523 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.014 -3.078 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.420 -3.927 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.504 -4.017 -0.010 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.723 -1.418 0.621 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.253 -0.682 1.789 1.00 0.00 C ATOM 1367 C LEU A 91 -6.653 0.661 1.382 1.00 0.00 C ATOM 1368 O LEU A 91 -6.867 1.675 2.047 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.216 -1.506 2.552 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.834 -1.611 1.906 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.941 -0.469 2.368 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.194 -2.954 2.228 1.00 0.00 C ATOM 0 H LEU A 91 -7.015 -2.003 0.178 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.109 -0.495 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.098 -1.074 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.610 -2.514 2.686 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.953 -1.538 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.962 -0.560 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.392 0.482 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.829 -0.510 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.211 -3.010 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.088 -3.057 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.824 -3.758 1.847 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.904 0.659 0.286 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.274 1.878 -0.212 1.00 0.00 C ATOM 1386 C LEU A 92 -6.324 2.925 -0.572 1.00 0.00 C ATOM 1387 O LEU A 92 -6.137 4.115 -0.320 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.410 1.565 -1.435 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.365 0.463 -1.254 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.963 -0.117 -2.601 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.147 0.999 -0.517 1.00 0.00 C ATOM 0 H LEU A 92 -5.717 -0.172 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.642 2.281 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.068 1.283 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.897 2.478 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.805 -0.334 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.219 -0.900 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.840 -0.539 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.541 0.671 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.414 0.201 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.705 1.815 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.448 1.366 0.464 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.427 2.473 -1.159 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.506 3.372 -1.551 1.00 0.00 C ATOM 1405 C GLU A 93 -9.174 3.987 -0.325 1.00 0.00 C ATOM 1406 O GLU A 93 -9.761 5.067 -0.400 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.545 2.622 -2.389 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.215 1.478 -1.646 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.517 1.046 -2.293 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -12.277 1.930 -2.742 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -11.775 -0.174 -2.350 1.00 0.00 O ATOM 0 H GLU A 93 -7.597 1.490 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.076 4.175 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.309 3.326 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.063 2.230 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.534 0.628 -1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.408 1.781 -0.617 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.080 3.292 0.804 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.676 3.769 2.047 1.00 0.00 C ATOM 1420 C PHE A 94 -8.701 4.660 2.811 1.00 0.00 C ATOM 1421 O PHE A 94 -9.088 5.368 3.741 1.00 0.00 O ATOM 1422 CB PHE A 94 -10.097 2.587 2.922 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.128 2.942 3.955 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.436 3.210 3.584 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.789 3.008 5.297 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.386 3.538 4.533 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.735 3.336 6.250 1.00 0.00 C ATOM 1428 CZ PHE A 94 -13.035 3.600 5.867 1.00 0.00 C ATOM 0 H PHE A 94 -8.597 2.397 0.884 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.558 4.358 1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.491 1.796 2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.217 2.184 3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.716 3.162 2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.774 2.801 5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.402 3.746 4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.458 3.386 7.293 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.776 3.855 6.610 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.434 4.618 2.412 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.402 5.418 3.061 1.00 0.00 C ATOM 1440 C TYR A 95 -6.187 6.734 2.319 1.00 0.00 C ATOM 1441 O TYR A 95 -5.661 7.697 2.877 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.089 4.638 3.128 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.941 3.808 4.383 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.225 4.346 5.632 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.517 2.486 4.320 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -5.091 3.592 6.782 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.382 1.724 5.465 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.670 2.282 6.693 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.535 1.527 7.836 1.00 0.00 O ATOM 0 H TYR A 95 -7.097 4.039 1.643 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.735 5.642 4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.020 3.983 2.259 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.256 5.339 3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.556 5.371 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.289 2.047 3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.315 4.026 7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.053 0.698 5.399 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.178 1.834 8.509 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.599 6.768 1.056 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.455 7.965 0.235 1.00 0.00 C ATOM 1461 C LYS A 96 -7.108 9.168 0.908 1.00 0.00 C ATOM 1462 O LYS A 96 -6.783 10.315 0.601 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.075 7.739 -1.145 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.268 6.804 -2.029 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.125 6.196 -3.127 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.149 7.077 -4.367 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.226 6.673 -5.313 1.00 0.00 N ATOM 0 H LYS A 96 -7.036 5.980 0.578 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.391 8.170 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.079 7.332 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.181 8.700 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.437 7.351 -2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.836 6.009 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.740 5.210 -3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.142 6.054 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.296 8.116 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.184 7.022 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.210 7.297 -6.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.072 5.690 -5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.149 6.750 -4.841 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.030 8.898 1.826 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.727 9.958 2.543 1.00 0.00 C ATOM 1483 C ILE A 97 -8.305 10.001 4.008 1.00 0.00 C ATOM 1484 O ILE A 97 -8.250 11.068 4.619 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.254 9.781 2.465 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.681 8.510 3.203 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.709 9.736 1.014 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.177 8.394 3.391 1.00 0.00 C ATOM 0 H ILE A 97 -8.312 7.954 2.091 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.454 10.897 2.061 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.729 10.635 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.324 7.641 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.197 8.487 4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.791 9.610 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.434 10.666 0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.229 8.899 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.407 7.470 3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.538 9.244 3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.666 8.385 2.417 1.00 0.00 H new ATOM 1500 N HIS A 98 -8.007 8.832 4.566 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.587 8.735 5.960 1.00 0.00 C ATOM 1502 C HIS A 98 -6.075 8.899 6.085 1.00 0.00 C ATOM 1503 O HIS A 98 -5.318 8.442 5.228 1.00 0.00 O ATOM 1504 CB HIS A 98 -8.016 7.392 6.552 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.490 7.290 6.799 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -10.122 6.102 7.101 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.457 8.236 6.788 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.414 6.322 7.265 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.643 7.610 7.080 1.00 0.00 N ATOM 0 H HIS A 98 -8.048 7.939 4.075 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.069 9.539 6.515 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.713 6.593 5.876 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.487 7.233 7.491 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.321 9.288 6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.156 5.576 7.509 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.554 8.065 7.144 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.643 9.555 7.156 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.222 9.783 7.391 1.00 0.00 C ATOM 1520 C TYR A 99 -3.632 8.683 8.267 1.00 0.00 C ATOM 1521 O TYR A 99 -3.993 8.543 9.437 1.00 0.00 O ATOM 1522 CB TYR A 99 -4.005 11.146 8.050 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.528 12.305 7.231 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.892 12.474 7.023 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.659 13.229 6.664 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.374 13.531 6.274 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.133 14.289 5.916 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.491 14.436 5.723 1.00 0.00 C ATOM 1529 OH TYR A 99 -5.967 15.489 4.977 1.00 0.00 O ATOM 0 H TYR A 99 -6.256 9.938 7.875 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.713 9.768 6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.494 11.151 9.024 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.939 11.289 8.227 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.586 11.768 7.454 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.595 13.117 6.811 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.437 13.648 6.121 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.444 14.999 5.484 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.215 16.033 4.662 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.721 7.904 7.694 1.00 0.00 N ATOM 1540 CA LEU A 100 -2.078 6.815 8.422 1.00 0.00 C ATOM 1541 C LEU A 100 -1.543 7.299 9.765 1.00 0.00 C ATOM 1542 O LEU A 100 -2.096 6.978 10.817 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.940 6.222 7.590 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.312 5.744 6.186 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.115 5.840 5.254 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.842 4.318 6.232 1.00 0.00 C ATOM 0 H LEU A 100 -2.411 8.006 6.728 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.825 6.043 8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.154 6.972 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.517 5.380 8.138 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.099 6.391 5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.399 5.495 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.220 6.876 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.694 5.218 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.102 3.994 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.076 3.658 6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.728 4.279 6.865 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.466 8.075 9.722 1.00 0.00 N ATOM 1559 CA ASP A 101 0.143 8.607 10.936 1.00 0.00 C ATOM 1560 C ASP A 101 0.088 10.132 10.948 1.00 0.00 C ATOM 1561 O ASP A 101 -0.583 10.733 11.788 1.00 0.00 O ATOM 1562 CB ASP A 101 1.593 8.136 11.054 1.00 0.00 C ATOM 1563 CG ASP A 101 2.043 8.000 12.495 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.614 8.824 13.331 1.00 0.00 O ATOM 1565 OD2 ASP A 101 2.822 7.070 12.788 1.00 0.00 O ATOM 0 H ASP A 101 0.004 8.350 8.859 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.422 8.234 11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.702 7.175 10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.244 8.842 10.538 1.00 0.00 H new ATOM 1570 N THR A 102 0.798 10.752 10.011 1.00 0.00 N ATOM 1571 CA THR A 102 0.832 12.206 9.916 1.00 0.00 C ATOM 1572 C THR A 102 0.481 12.673 8.508 1.00 0.00 C ATOM 1573 O THR A 102 0.390 13.872 8.244 1.00 0.00 O ATOM 1574 CB THR A 102 2.217 12.762 10.298 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.134 14.175 10.516 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.237 12.471 9.208 1.00 0.00 C ATOM 0 H THR A 102 1.357 10.270 9.307 1.00 0.00 H new ATOM 0 HA THR A 102 0.090 12.586 10.618 1.00 0.00 H new ATOM 0 HB THR A 102 2.541 12.271 11.216 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.420 14.551 9.959 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.207 12.873 9.501 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.319 11.394 9.065 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.917 12.937 8.276 1.00 0.00 H new ATOM 1584 N THR A 103 0.283 11.717 7.604 1.00 0.00 N ATOM 1585 CA THR A 103 -0.058 12.031 6.222 1.00 0.00 C ATOM 1586 C THR A 103 -0.942 10.948 5.615 1.00 0.00 C ATOM 1587 O THR A 103 -1.347 10.006 6.298 1.00 0.00 O ATOM 1588 CB THR A 103 1.205 12.192 5.355 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.905 12.973 4.193 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.749 10.835 4.934 1.00 0.00 C ATOM 0 H THR A 103 0.353 10.719 7.805 1.00 0.00 H new ATOM 0 HA THR A 103 -0.603 12.975 6.237 1.00 0.00 H new ATOM 0 HB THR A 103 1.964 12.702 5.949 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.713 13.072 3.648 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.641 10.974 4.323 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.004 10.254 5.820 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.993 10.303 4.357 1.00 0.00 H new ATOM 1598 N THR A 104 -1.240 11.087 4.327 1.00 0.00 N ATOM 1599 CA THR A 104 -2.078 10.121 3.628 1.00 0.00 C ATOM 1600 C THR A 104 -1.367 9.564 2.400 1.00 0.00 C ATOM 1601 O THR A 104 -0.237 9.948 2.096 1.00 0.00 O ATOM 1602 CB THR A 104 -3.416 10.748 3.192 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.177 11.833 2.288 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.197 11.249 4.398 1.00 0.00 C ATOM 0 H THR A 104 -0.913 11.860 3.747 1.00 0.00 H new ATOM 0 HA THR A 104 -2.277 9.310 4.329 1.00 0.00 H new ATOM 0 HB THR A 104 -4.005 9.981 2.690 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.032 12.225 2.014 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.138 11.688 4.066 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.402 10.416 5.070 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.611 12.003 4.923 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.035 8.657 1.696 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.467 8.047 0.498 1.00 0.00 C ATOM 1614 C LEU A 105 -1.761 8.894 -0.736 1.00 0.00 C ATOM 1615 O LEU A 105 -2.889 8.916 -1.231 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.025 6.636 0.308 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.721 5.637 1.425 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.390 4.301 1.143 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.219 5.460 1.589 1.00 0.00 C ATOM 0 H LEU A 105 -2.971 8.327 1.934 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.386 7.989 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.107 6.707 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.633 6.235 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.123 6.031 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.162 3.603 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.469 4.441 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.019 3.900 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.022 4.746 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.208 5.089 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.235 6.419 1.839 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.740 9.587 -1.229 1.00 0.00 N ATOM 1632 CA ILE A 106 -0.889 10.432 -2.407 1.00 0.00 C ATOM 1633 C ILE A 106 -0.832 9.605 -3.687 1.00 0.00 C ATOM 1634 O ILE A 106 -1.847 9.403 -4.352 1.00 0.00 O ATOM 1635 CB ILE A 106 0.201 11.518 -2.462 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.135 12.401 -1.215 1.00 0.00 C ATOM 1637 CG2 ILE A 106 0.049 12.358 -3.721 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.041 13.353 -1.210 1.00 0.00 C ATOM 0 H ILE A 106 0.199 9.580 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.865 10.912 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 106 1.176 11.032 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.081 11.765 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.058 12.976 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.827 13.121 -3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.141 11.718 -4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.930 12.837 -3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.024 13.947 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.978 14.014 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.970 12.784 -1.256 1.00 0.00 H new ATOM 1650 N GLU A 107 0.362 9.128 -4.024 1.00 0.00 N ATOM 1651 CA GLU A 107 0.551 8.322 -5.225 1.00 0.00 C ATOM 1652 C GLU A 107 1.689 7.323 -5.036 1.00 0.00 C ATOM 1653 O GLU A 107 2.656 7.575 -4.317 1.00 0.00 O ATOM 1654 CB GLU A 107 0.840 9.220 -6.429 1.00 0.00 C ATOM 1655 CG GLU A 107 2.121 10.026 -6.294 1.00 0.00 C ATOM 1656 CD GLU A 107 2.109 11.286 -7.137 1.00 0.00 C ATOM 1657 OE1 GLU A 107 1.546 12.301 -6.678 1.00 0.00 O ATOM 1658 OE2 GLU A 107 2.662 11.257 -8.256 1.00 0.00 O ATOM 0 H GLU A 107 1.212 9.285 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.369 7.768 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.902 8.603 -7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.003 9.904 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.268 10.295 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.968 9.406 -6.586 1.00 0.00 H new ATOM 1665 N PRO A 108 1.572 6.162 -5.697 1.00 0.00 N ATOM 1666 CA PRO A 108 2.582 5.101 -5.618 1.00 0.00 C ATOM 1667 C PRO A 108 3.880 5.483 -6.322 1.00 0.00 C ATOM 1668 O PRO A 108 3.862 6.008 -7.435 1.00 0.00 O ATOM 1669 CB PRO A 108 1.914 3.923 -6.332 1.00 0.00 C ATOM 1670 CG PRO A 108 0.932 4.549 -7.261 1.00 0.00 C ATOM 1671 CD PRO A 108 0.446 5.794 -6.572 1.00 0.00 C ATOM 0 HA PRO A 108 2.869 4.887 -4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.645 3.323 -6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.420 3.259 -5.623 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.397 4.788 -8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.105 3.870 -7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.217 6.585 -7.286 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.463 5.608 -6.000 1.00 0.00 H new ATOM 1679 N ALA A 109 5.004 5.217 -5.665 1.00 0.00 N ATOM 1680 CA ALA A 109 6.311 5.530 -6.229 1.00 0.00 C ATOM 1681 C ALA A 109 6.502 4.852 -7.581 1.00 0.00 C ATOM 1682 O ALA A 109 5.891 3.826 -7.880 1.00 0.00 O ATOM 1683 CB ALA A 109 7.414 5.115 -5.267 1.00 0.00 C ATOM 0 H ALA A 109 5.036 4.785 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 109 6.365 6.608 -6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.385 5.355 -5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.296 5.650 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.353 4.042 -5.085 1.00 0.00 H new ATOM 1689 N PRO A 110 7.371 5.437 -8.419 1.00 0.00 N ATOM 1690 CA PRO A 110 7.663 4.906 -9.754 1.00 0.00 C ATOM 1691 C PRO A 110 8.446 3.599 -9.699 1.00 0.00 C ATOM 1692 O PRO A 110 9.180 3.344 -8.745 1.00 0.00 O ATOM 1693 CB PRO A 110 8.507 6.008 -10.398 1.00 0.00 C ATOM 1694 CG PRO A 110 9.134 6.724 -9.251 1.00 0.00 C ATOM 1695 CD PRO A 110 8.135 6.662 -8.129 1.00 0.00 C ATOM 0 HA PRO A 110 6.753 4.670 -10.306 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.262 5.590 -11.064 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.891 6.680 -10.996 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.074 6.253 -8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.363 7.757 -9.514 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.625 6.609 -7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.492 7.542 -8.114 1.00 0.00 H new ATOM 1703 N ARG A 111 8.284 2.774 -10.729 1.00 0.00 N ATOM 1704 CA ARG A 111 8.975 1.492 -10.797 1.00 0.00 C ATOM 1705 C ARG A 111 10.434 1.682 -11.203 1.00 0.00 C ATOM 1706 O ARG A 111 11.225 0.739 -11.173 1.00 0.00 O ATOM 1707 CB ARG A 111 8.275 0.562 -11.789 1.00 0.00 C ATOM 1708 CG ARG A 111 6.760 0.573 -11.669 1.00 0.00 C ATOM 1709 CD ARG A 111 6.132 1.581 -12.619 1.00 0.00 C ATOM 1710 NE ARG A 111 4.832 1.133 -13.111 1.00 0.00 N ATOM 1711 CZ ARG A 111 3.901 1.956 -13.582 1.00 0.00 C ATOM 1712 NH1 ARG A 111 4.127 3.262 -13.626 1.00 0.00 N ATOM 1713 NH2 ARG A 111 2.742 1.473 -14.011 1.00 0.00 N ATOM 0 H ARG A 111 7.680 2.971 -11.527 1.00 0.00 H new ATOM 0 HA ARG A 111 8.947 1.040 -9.806 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.553 0.851 -12.803 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.636 -0.455 -11.637 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.370 -0.422 -11.883 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.477 0.812 -10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.017 2.537 -12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.801 1.749 -13.463 1.00 0.00 H new ATOM 0 HE ARG A 111 4.627 0.134 -13.092 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.017 3.637 -13.298 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.411 3.892 -13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.565 0.469 -13.979 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.028 2.106 -14.372 1.00 0.00 H new TER 1727 ARG A 111