USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 773 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 76 HIS : no HE2:sc= -7.82! C(o=-7.5!,f=-14!) USER MOD Set 1.2: A 79 GLN : amide:sc= 0.352 K(o=-7.5,f=-12!) USER MOD Single : A 0 GLY N :NH3+ 158:sc= 0 (180deg=-0.0512) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0479 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -95:sc= -1.17 USER MOD Single : A 15 HIS : no HE2:sc= -4.47 K(o=-4.5,f=-1.2) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 63:sc= 1.16 USER MOD Single : A 24 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.23) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -51:sc= 0.447 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 88:sc= 0.0382 USER MOD Single : A 39 CYS SG : rot 157:sc= -0.0373 USER MOD Single : A 41 SER OG : rot 180:sc= -0.954 USER MOD Single : A 45 THR OG1 : rot -172:sc= -0.425 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.61) USER MOD Single : A 75 SER OG : rot -90:sc= 1.23 USER MOD Single : A 80 GLN : amide:sc= -1.94! C(o=-1.9!,f=-2.2!) USER MOD Single : A 82 TYR OH : rot 96:sc= -1.26 USER MOD Single : A 84 THR OG1 : rot 72:sc= 0.618 USER MOD Single : A 87 GLN : amide:sc= 0.0528 X(o=0.053,f=-0.16) USER MOD Single : A 91 GLN : amide:sc= -0.0168 K(o=-0.017,f=-1.2) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -10:sc= 1.01 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 15:sc= 0.884 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -11.349 -16.504 -10.559 1.00 0.00 N ATOM 2 CA GLY A 0 -11.468 -17.184 -11.838 1.00 0.00 C ATOM 3 C GLY A 0 -10.612 -16.498 -12.905 1.00 0.00 C ATOM 4 O GLY A 0 -9.562 -17.011 -13.287 1.00 0.00 O ATOM 0 H1 GLY A 0 -12.177 -16.725 -9.970 1.00 0.00 H new ATOM 0 H2 GLY A 0 -10.485 -16.823 -10.075 1.00 0.00 H new ATOM 0 H3 GLY A 0 -11.299 -15.477 -10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -11.159 -18.224 -11.731 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -12.511 -17.193 -12.154 1.00 0.00 H new ATOM 8 N SER A 1 -11.094 -15.349 -13.355 1.00 0.00 N ATOM 9 CA SER A 1 -10.387 -14.587 -14.370 1.00 0.00 C ATOM 10 C SER A 1 -10.055 -13.191 -13.840 1.00 0.00 C ATOM 11 O SER A 1 -10.671 -12.723 -12.884 1.00 0.00 O ATOM 12 CB SER A 1 -11.211 -14.485 -15.655 1.00 0.00 C ATOM 13 OG SER A 1 -12.353 -13.647 -15.492 1.00 0.00 O ATOM 0 H SER A 1 -11.966 -14.927 -13.035 1.00 0.00 H new ATOM 0 HA SER A 1 -9.460 -15.109 -14.605 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.585 -14.093 -16.457 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.533 -15.481 -15.959 1.00 0.00 H new ATOM 0 HG SER A 1 -12.852 -13.606 -16.335 1.00 0.00 H new ATOM 19 N SER A 2 -9.081 -12.565 -14.485 1.00 0.00 N ATOM 20 CA SER A 2 -8.659 -11.232 -14.090 1.00 0.00 C ATOM 21 C SER A 2 -9.037 -10.221 -15.175 1.00 0.00 C ATOM 22 O SER A 2 -9.422 -10.604 -16.278 1.00 0.00 O ATOM 23 CB SER A 2 -7.153 -11.187 -13.824 1.00 0.00 C ATOM 24 OG SER A 2 -6.860 -11.074 -12.434 1.00 0.00 O ATOM 0 H SER A 2 -8.572 -12.956 -15.278 1.00 0.00 H new ATOM 0 HA SER A 2 -9.172 -10.971 -13.164 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.688 -12.089 -14.220 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.716 -10.342 -14.357 1.00 0.00 H new ATOM 0 HG SER A 2 -5.889 -11.050 -12.305 1.00 0.00 H new ATOM 30 N GLY A 3 -8.914 -8.949 -14.822 1.00 0.00 N ATOM 31 CA GLY A 3 -9.237 -7.881 -15.752 1.00 0.00 C ATOM 32 C GLY A 3 -8.309 -6.681 -15.553 1.00 0.00 C ATOM 33 O GLY A 3 -7.837 -6.434 -14.445 1.00 0.00 O ATOM 0 H GLY A 3 -8.595 -8.635 -13.905 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.150 -8.246 -16.775 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.273 -7.572 -15.611 1.00 0.00 H new ATOM 37 N SER A 4 -8.075 -5.967 -16.645 1.00 0.00 N ATOM 38 CA SER A 4 -7.211 -4.800 -16.604 1.00 0.00 C ATOM 39 C SER A 4 -8.053 -3.524 -16.659 1.00 0.00 C ATOM 40 O SER A 4 -8.443 -3.079 -17.737 1.00 0.00 O ATOM 41 CB SER A 4 -6.203 -4.820 -17.755 1.00 0.00 C ATOM 42 OG SER A 4 -4.876 -5.065 -17.298 1.00 0.00 O ATOM 0 H SER A 4 -8.469 -6.174 -17.563 1.00 0.00 H new ATOM 0 HA SER A 4 -6.653 -4.820 -15.668 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.487 -5.590 -18.473 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.235 -3.866 -18.281 1.00 0.00 H new ATOM 0 HG SER A 4 -4.263 -5.072 -18.062 1.00 0.00 H new ATOM 48 N SER A 5 -8.309 -2.970 -15.483 1.00 0.00 N ATOM 49 CA SER A 5 -9.098 -1.754 -15.383 1.00 0.00 C ATOM 50 C SER A 5 -8.975 -1.165 -13.977 1.00 0.00 C ATOM 51 O SER A 5 -8.472 -0.055 -13.807 1.00 0.00 O ATOM 52 CB SER A 5 -10.566 -2.021 -15.720 1.00 0.00 C ATOM 53 OG SER A 5 -11.084 -3.138 -15.004 1.00 0.00 O ATOM 0 H SER A 5 -7.984 -3.341 -14.590 1.00 0.00 H new ATOM 0 HA SER A 5 -8.712 -1.035 -16.106 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.158 -1.136 -15.488 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.665 -2.199 -16.791 1.00 0.00 H new ATOM 0 HG SER A 5 -12.024 -3.274 -15.246 1.00 0.00 H new ATOM 59 N GLY A 6 -9.443 -1.933 -13.004 1.00 0.00 N ATOM 60 CA GLY A 6 -9.392 -1.501 -11.618 1.00 0.00 C ATOM 61 C GLY A 6 -7.960 -1.550 -11.081 1.00 0.00 C ATOM 62 O GLY A 6 -7.305 -2.589 -11.142 1.00 0.00 O ATOM 0 H GLY A 6 -9.860 -2.853 -13.149 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.781 -0.486 -11.535 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.034 -2.139 -11.011 1.00 0.00 H new ATOM 66 N THR A 7 -7.516 -0.412 -10.566 1.00 0.00 N ATOM 67 CA THR A 7 -6.174 -0.312 -10.019 1.00 0.00 C ATOM 68 C THR A 7 -6.211 -0.422 -8.493 1.00 0.00 C ATOM 69 O THR A 7 -7.254 -0.213 -7.877 1.00 0.00 O ATOM 70 CB THR A 7 -5.555 0.995 -10.519 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.586 1.961 -10.331 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.320 0.991 -12.031 1.00 0.00 C ATOM 0 H THR A 7 -8.062 0.448 -10.516 1.00 0.00 H new ATOM 0 HA THR A 7 -5.546 -1.136 -10.358 1.00 0.00 H new ATOM 0 HB THR A 7 -4.610 1.169 -10.005 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.269 2.840 -10.628 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.880 1.941 -12.333 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.643 0.178 -12.292 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.270 0.851 -12.547 1.00 0.00 H new ATOM 80 N PRO A 8 -5.028 -0.758 -7.913 1.00 0.00 N ATOM 81 CA PRO A 8 -4.915 -0.898 -6.471 1.00 0.00 C ATOM 82 C PRO A 8 -4.901 0.470 -5.786 1.00 0.00 C ATOM 83 O PRO A 8 -5.597 0.678 -4.794 1.00 0.00 O ATOM 84 CB PRO A 8 -3.633 -1.685 -6.251 1.00 0.00 C ATOM 85 CG PRO A 8 -2.838 -1.554 -7.540 1.00 0.00 C ATOM 86 CD PRO A 8 -3.771 -1.013 -8.611 1.00 0.00 C ATOM 0 HA PRO A 8 -5.766 -1.418 -6.031 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.072 -1.289 -5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.849 -2.730 -6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.990 -0.884 -7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.434 -2.521 -7.839 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.374 -0.101 -9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.906 -1.732 -9.419 1.00 0.00 H new ATOM 94 N LEU A 9 -4.102 1.367 -6.344 1.00 0.00 N ATOM 95 CA LEU A 9 -3.988 2.710 -5.800 1.00 0.00 C ATOM 96 C LEU A 9 -5.383 3.327 -5.682 1.00 0.00 C ATOM 97 O LEU A 9 -5.724 3.909 -4.653 1.00 0.00 O ATOM 98 CB LEU A 9 -3.014 3.545 -6.633 1.00 0.00 C ATOM 99 CG LEU A 9 -2.898 5.021 -6.248 1.00 0.00 C ATOM 100 CD1 LEU A 9 -2.603 5.177 -4.754 1.00 0.00 C ATOM 101 CD2 LEU A 9 -1.857 5.733 -7.114 1.00 0.00 C ATOM 0 H LEU A 9 -3.527 1.190 -7.168 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.566 2.680 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.025 3.092 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.317 3.485 -7.678 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.858 5.500 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.525 6.236 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.410 4.727 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.663 4.679 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.794 6.781 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.885 5.259 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.149 5.667 -8.162 1.00 0.00 H new ATOM 113 N SER A 10 -6.153 3.179 -6.750 1.00 0.00 N ATOM 114 CA SER A 10 -7.503 3.715 -6.780 1.00 0.00 C ATOM 115 C SER A 10 -8.384 2.969 -5.776 1.00 0.00 C ATOM 116 O SER A 10 -9.175 3.584 -5.062 1.00 0.00 O ATOM 117 CB SER A 10 -8.103 3.621 -8.184 1.00 0.00 C ATOM 118 OG SER A 10 -9.134 4.582 -8.390 1.00 0.00 O ATOM 0 H SER A 10 -5.867 2.695 -7.601 1.00 0.00 H new ATOM 0 HA SER A 10 -7.458 4.768 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.317 3.768 -8.925 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.504 2.620 -8.340 1.00 0.00 H new ATOM 0 HG SER A 10 -9.490 4.490 -9.299 1.00 0.00 H new ATOM 124 N LEU A 11 -8.218 1.655 -5.753 1.00 0.00 N ATOM 125 CA LEU A 11 -8.988 0.819 -4.848 1.00 0.00 C ATOM 126 C LEU A 11 -8.698 1.235 -3.405 1.00 0.00 C ATOM 127 O LEU A 11 -9.598 1.248 -2.566 1.00 0.00 O ATOM 128 CB LEU A 11 -8.720 -0.662 -5.127 1.00 0.00 C ATOM 129 CG LEU A 11 -9.312 -1.218 -6.423 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.444 -2.348 -6.982 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.763 -1.658 -6.219 1.00 0.00 C ATOM 0 H LEU A 11 -7.561 1.148 -6.347 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.056 0.962 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.641 -0.818 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.111 -1.245 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.319 -0.420 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.887 -2.726 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.443 -1.969 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.383 -3.155 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.160 -2.049 -7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.804 -2.435 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.361 -0.804 -5.900 1.00 0.00 H new ATOM 143 N THR A 12 -7.439 1.564 -3.159 1.00 0.00 N ATOM 144 CA THR A 12 -7.019 1.980 -1.831 1.00 0.00 C ATOM 145 C THR A 12 -7.510 3.398 -1.536 1.00 0.00 C ATOM 146 O THR A 12 -8.083 3.653 -0.478 1.00 0.00 O ATOM 147 CB THR A 12 -5.498 1.834 -1.749 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.038 2.271 -3.025 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.053 0.372 -1.673 1.00 0.00 C ATOM 0 H THR A 12 -6.695 1.551 -3.857 1.00 0.00 H new ATOM 0 HA THR A 12 -7.463 1.350 -1.060 1.00 0.00 H new ATOM 0 HB THR A 12 -5.129 2.371 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.923 1.496 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.965 0.325 -1.617 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.483 -0.094 -0.786 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.393 -0.159 -2.562 1.00 0.00 H new ATOM 157 N LEU A 13 -7.268 4.285 -2.491 1.00 0.00 N ATOM 158 CA LEU A 13 -7.679 5.671 -2.347 1.00 0.00 C ATOM 159 C LEU A 13 -9.202 5.737 -2.223 1.00 0.00 C ATOM 160 O LEU A 13 -9.729 6.446 -1.368 1.00 0.00 O ATOM 161 CB LEU A 13 -7.117 6.518 -3.490 1.00 0.00 C ATOM 162 CG LEU A 13 -5.624 6.843 -3.414 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.137 7.491 -4.711 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.313 7.706 -2.189 1.00 0.00 C ATOM 0 H LEU A 13 -6.792 4.070 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.266 6.098 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.308 5.998 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.671 7.456 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.076 5.908 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.073 7.712 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.304 6.808 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.687 8.416 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.245 7.923 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.871 8.640 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.601 7.171 -1.284 1.00 0.00 H new ATOM 176 N ASP A 14 -9.867 4.987 -3.091 1.00 0.00 N ATOM 177 CA ASP A 14 -11.320 4.952 -3.090 1.00 0.00 C ATOM 178 C ASP A 14 -11.817 4.621 -1.681 1.00 0.00 C ATOM 179 O ASP A 14 -12.767 5.231 -1.194 1.00 0.00 O ATOM 180 CB ASP A 14 -11.845 3.875 -4.041 1.00 0.00 C ATOM 181 CG ASP A 14 -12.038 4.330 -5.489 1.00 0.00 C ATOM 182 OD1 ASP A 14 -11.621 5.471 -5.786 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.599 3.528 -6.266 1.00 0.00 O ATOM 0 H ASP A 14 -9.426 4.400 -3.799 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.681 5.928 -3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.153 3.033 -4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.799 3.509 -3.661 1.00 0.00 H new ATOM 188 N HIS A 15 -11.151 3.655 -1.065 1.00 0.00 N ATOM 189 CA HIS A 15 -11.513 3.235 0.278 1.00 0.00 C ATOM 190 C HIS A 15 -10.523 3.825 1.284 1.00 0.00 C ATOM 191 O HIS A 15 -10.144 3.162 2.249 1.00 0.00 O ATOM 192 CB HIS A 15 -11.608 1.710 0.364 1.00 0.00 C ATOM 193 CG HIS A 15 -12.853 1.136 -0.270 1.00 0.00 C ATOM 194 ND1 HIS A 15 -14.128 1.538 0.085 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.003 0.188 -1.239 1.00 0.00 C ATOM 196 CE1 HIS A 15 -15.000 0.856 -0.643 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.300 0.019 -1.462 1.00 0.00 N ATOM 0 H HIS A 15 -10.363 3.151 -1.471 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.503 3.617 0.528 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.733 1.274 -0.118 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.576 1.413 1.412 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -14.358 2.240 0.788 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.202 -0.336 -1.740 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.075 0.947 -0.596 1.00 0.00 H new ATOM 205 N TRP A 16 -10.132 5.064 1.025 1.00 0.00 N ATOM 206 CA TRP A 16 -9.193 5.750 1.896 1.00 0.00 C ATOM 207 C TRP A 16 -9.665 5.565 3.339 1.00 0.00 C ATOM 208 O TRP A 16 -8.850 5.392 4.245 1.00 0.00 O ATOM 209 CB TRP A 16 -9.051 7.221 1.498 1.00 0.00 C ATOM 210 CG TRP A 16 -8.105 8.020 2.397 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.357 9.162 3.050 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.737 7.688 2.716 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.256 9.589 3.765 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.240 8.665 3.555 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.946 6.599 2.310 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.934 8.650 4.060 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.643 6.599 2.822 1.00 0.00 C ATOM 218 CH2 TRP A 16 -4.128 7.574 3.668 1.00 0.00 C ATOM 0 H TRP A 16 -10.448 5.611 0.224 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.195 5.324 1.799 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.692 7.276 0.470 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.035 7.689 1.517 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.302 9.683 3.021 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.199 10.429 4.341 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.314 5.824 1.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.568 9.426 4.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.993 5.784 2.540 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -3.110 7.502 4.022 1.00 0.00 H new ATOM 229 N SER A 17 -10.978 5.607 3.509 1.00 0.00 N ATOM 230 CA SER A 17 -11.568 5.446 4.827 1.00 0.00 C ATOM 231 C SER A 17 -11.057 4.157 5.475 1.00 0.00 C ATOM 232 O SER A 17 -10.755 4.135 6.667 1.00 0.00 O ATOM 233 CB SER A 17 -13.096 5.430 4.749 1.00 0.00 C ATOM 234 OG SER A 17 -13.636 6.740 4.594 1.00 0.00 O ATOM 0 H SER A 17 -11.650 5.750 2.756 1.00 0.00 H new ATOM 0 HA SER A 17 -11.271 6.297 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.410 4.807 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.501 4.976 5.653 1.00 0.00 H new ATOM 0 HG SER A 17 -14.613 6.687 4.546 1.00 0.00 H new ATOM 240 N GLU A 18 -10.974 3.115 4.661 1.00 0.00 N ATOM 241 CA GLU A 18 -10.505 1.827 5.140 1.00 0.00 C ATOM 242 C GLU A 18 -9.003 1.882 5.425 1.00 0.00 C ATOM 243 O GLU A 18 -8.556 1.479 6.498 1.00 0.00 O ATOM 244 CB GLU A 18 -10.833 0.717 4.139 1.00 0.00 C ATOM 245 CG GLU A 18 -10.079 -0.570 4.481 1.00 0.00 C ATOM 246 CD GLU A 18 -10.749 -1.785 3.837 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.886 -1.613 3.347 1.00 0.00 O ATOM 248 OE2 GLU A 18 -10.109 -2.859 3.848 1.00 0.00 O ATOM 0 H GLU A 18 -11.224 3.137 3.672 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.024 1.596 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.906 0.526 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.569 1.041 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.048 -0.494 4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.045 -0.700 5.563 1.00 0.00 H new ATOM 255 N ILE A 19 -8.265 2.383 4.445 1.00 0.00 N ATOM 256 CA ILE A 19 -6.822 2.496 4.577 1.00 0.00 C ATOM 257 C ILE A 19 -6.491 3.311 5.829 1.00 0.00 C ATOM 258 O ILE A 19 -5.515 3.025 6.520 1.00 0.00 O ATOM 259 CB ILE A 19 -6.209 3.062 3.295 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.881 2.466 2.056 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.693 2.861 3.277 1.00 0.00 C ATOM 262 CD1 ILE A 19 -7.114 0.963 2.229 1.00 0.00 C ATOM 0 H ILE A 19 -8.639 2.715 3.556 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.374 1.511 4.709 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.392 4.136 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.832 2.967 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.258 2.643 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.282 3.272 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.248 3.371 4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.466 1.796 3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.593 0.564 1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.158 0.462 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.757 0.791 3.092 1.00 0.00 H new ATOM 274 N ARG A 20 -7.324 4.310 6.083 1.00 0.00 N ATOM 275 CA ARG A 20 -7.132 5.169 7.239 1.00 0.00 C ATOM 276 C ARG A 20 -7.356 4.379 8.530 1.00 0.00 C ATOM 277 O ARG A 20 -6.702 4.634 9.540 1.00 0.00 O ATOM 278 CB ARG A 20 -8.091 6.360 7.206 1.00 0.00 C ATOM 279 CG ARG A 20 -7.618 7.417 6.206 1.00 0.00 C ATOM 280 CD ARG A 20 -8.125 8.807 6.595 1.00 0.00 C ATOM 281 NE ARG A 20 -7.942 9.024 8.047 1.00 0.00 N ATOM 282 CZ ARG A 20 -6.789 9.411 8.609 1.00 0.00 C ATOM 283 NH1 ARG A 20 -5.709 9.625 7.844 1.00 0.00 N ATOM 284 NH2 ARG A 20 -6.715 9.583 9.936 1.00 0.00 N ATOM 0 H ARG A 20 -8.133 4.544 5.508 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.108 5.541 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.090 6.019 6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.163 6.801 8.200 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.529 7.422 6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.974 7.163 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.585 9.570 6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.179 8.905 6.334 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.744 8.869 8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.765 9.493 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.831 9.920 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.536 9.419 10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.837 9.878 10.364 1.00 0.00 H new ATOM 298 N SER A 21 -8.282 3.434 8.455 1.00 0.00 N ATOM 299 CA SER A 21 -8.601 2.605 9.605 1.00 0.00 C ATOM 300 C SER A 21 -7.435 1.661 9.908 1.00 0.00 C ATOM 301 O SER A 21 -7.112 1.422 11.071 1.00 0.00 O ATOM 302 CB SER A 21 -9.884 1.806 9.369 1.00 0.00 C ATOM 303 OG SER A 21 -10.969 2.642 8.978 1.00 0.00 O ATOM 0 H SER A 21 -8.822 3.224 7.615 1.00 0.00 H new ATOM 0 HA SER A 21 -8.765 3.257 10.463 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.708 1.056 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.150 1.269 10.280 1.00 0.00 H new ATOM 0 HG SER A 21 -10.761 3.068 8.120 1.00 0.00 H new ATOM 309 N ARG A 22 -6.836 1.151 8.843 1.00 0.00 N ATOM 310 CA ARG A 22 -5.714 0.238 8.980 1.00 0.00 C ATOM 311 C ARG A 22 -4.581 0.905 9.764 1.00 0.00 C ATOM 312 O ARG A 22 -3.852 0.238 10.496 1.00 0.00 O ATOM 313 CB ARG A 22 -5.189 -0.200 7.612 1.00 0.00 C ATOM 314 CG ARG A 22 -6.293 -0.867 6.789 1.00 0.00 C ATOM 315 CD ARG A 22 -6.509 -2.315 7.234 1.00 0.00 C ATOM 316 NE ARG A 22 -6.994 -3.127 6.096 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.160 -4.456 6.138 1.00 0.00 C ATOM 318 NH1 ARG A 22 -6.880 -5.131 7.262 1.00 0.00 N ATOM 319 NH2 ARG A 22 -7.605 -5.111 5.057 1.00 0.00 N ATOM 0 H ARG A 22 -7.106 1.353 7.880 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.066 -0.642 9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.801 0.665 7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.358 -0.893 7.742 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.222 -0.307 6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.028 -0.843 5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.576 -2.730 7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.231 -2.350 8.050 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.216 -2.645 5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.541 -4.633 8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.006 -6.143 7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.818 -4.598 4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.731 -6.123 5.090 1.00 0.00 H new ATOM 333 N ALA A 23 -4.469 2.213 9.582 1.00 0.00 N ATOM 334 CA ALA A 23 -3.437 2.977 10.263 1.00 0.00 C ATOM 335 C ALA A 23 -3.810 3.128 11.739 1.00 0.00 C ATOM 336 O ALA A 23 -2.937 3.152 12.604 1.00 0.00 O ATOM 337 CB ALA A 23 -3.257 4.327 9.565 1.00 0.00 C ATOM 0 H ALA A 23 -5.075 2.763 8.973 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.480 2.456 10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.483 4.900 10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.963 4.164 8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.196 4.880 9.594 1.00 0.00 H new ATOM 343 N HIS A 24 -5.109 3.226 11.980 1.00 0.00 N ATOM 344 CA HIS A 24 -5.609 3.375 13.336 1.00 0.00 C ATOM 345 C HIS A 24 -5.299 2.110 14.139 1.00 0.00 C ATOM 346 O HIS A 24 -4.850 2.190 15.282 1.00 0.00 O ATOM 347 CB HIS A 24 -7.099 3.723 13.331 1.00 0.00 C ATOM 348 CG HIS A 24 -7.481 4.803 14.316 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.745 4.899 14.870 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.751 5.829 14.841 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.765 5.941 15.689 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.529 6.516 15.669 1.00 0.00 N ATOM 0 H HIS A 24 -5.830 3.205 11.259 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.102 4.207 13.824 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.384 4.043 12.329 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.673 2.823 13.554 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.716 6.046 14.621 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.612 6.276 16.270 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.248 7.339 16.202 1.00 0.00 H new ATOM 360 N ASN A 25 -5.550 0.972 13.509 1.00 0.00 N ATOM 361 CA ASN A 25 -5.303 -0.309 14.151 1.00 0.00 C ATOM 362 C ASN A 25 -3.794 -0.535 14.263 1.00 0.00 C ATOM 363 O ASN A 25 -3.334 -1.243 15.158 1.00 0.00 O ATOM 364 CB ASN A 25 -5.893 -1.458 13.331 1.00 0.00 C ATOM 365 CG ASN A 25 -6.669 -2.427 14.226 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.107 -3.259 14.918 1.00 0.00 O ATOM 367 ND2 ASN A 25 -7.989 -2.272 14.173 1.00 0.00 N ATOM 0 H ASN A 25 -5.922 0.910 12.561 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.772 -0.290 15.135 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.554 -1.059 12.562 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.093 -1.992 12.818 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.596 -2.870 14.734 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.395 -1.555 13.572 1.00 0.00 H new ATOM 374 N LEU A 26 -3.065 0.079 13.343 1.00 0.00 N ATOM 375 CA LEU A 26 -1.618 -0.046 13.328 1.00 0.00 C ATOM 376 C LEU A 26 -1.001 1.113 14.113 1.00 0.00 C ATOM 377 O LEU A 26 0.199 1.366 14.015 1.00 0.00 O ATOM 378 CB LEU A 26 -1.104 -0.157 11.891 1.00 0.00 C ATOM 379 CG LEU A 26 -1.625 -1.348 11.083 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.444 -1.114 9.582 1.00 0.00 C ATOM 381 CD2 LEU A 26 -0.968 -2.651 11.543 1.00 0.00 C ATOM 0 H LEU A 26 -3.450 0.665 12.602 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.311 -0.967 13.824 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.365 0.759 11.361 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.016 -0.210 11.918 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.695 -1.444 11.267 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.822 -1.975 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.995 -0.222 9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.386 -0.978 9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.355 -3.482 10.953 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.111 -2.582 11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.191 -2.819 12.597 1.00 0.00 H new ATOM 393 N SER A 27 -1.850 1.788 14.874 1.00 0.00 N ATOM 394 CA SER A 27 -1.404 2.915 15.676 1.00 0.00 C ATOM 395 C SER A 27 -0.430 3.777 14.870 1.00 0.00 C ATOM 396 O SER A 27 0.658 4.100 15.346 1.00 0.00 O ATOM 397 CB SER A 27 -0.746 2.442 16.974 1.00 0.00 C ATOM 398 OG SER A 27 -0.373 3.532 17.811 1.00 0.00 O ATOM 0 H SER A 27 -2.845 1.576 14.952 1.00 0.00 H new ATOM 0 HA SER A 27 -2.276 3.513 15.940 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.434 1.790 17.513 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.137 1.848 16.737 1.00 0.00 H new ATOM 0 HG SER A 27 0.145 4.181 17.291 1.00 0.00 H new ATOM 404 N VAL A 28 -0.854 4.124 13.664 1.00 0.00 N ATOM 405 CA VAL A 28 -0.033 4.942 12.788 1.00 0.00 C ATOM 406 C VAL A 28 -0.911 5.993 12.108 1.00 0.00 C ATOM 407 O VAL A 28 -2.134 5.869 12.091 1.00 0.00 O ATOM 408 CB VAL A 28 0.716 4.053 11.793 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.729 3.159 12.511 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.260 3.219 10.961 1.00 0.00 C ATOM 0 H VAL A 28 -1.756 3.853 13.273 1.00 0.00 H new ATOM 0 HA VAL A 28 0.725 5.475 13.362 1.00 0.00 H new ATOM 0 HB VAL A 28 1.267 4.702 11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.247 2.537 11.781 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.453 3.780 13.038 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.209 2.522 13.226 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.298 2.596 10.262 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.850 2.584 11.621 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.924 3.882 10.406 1.00 0.00 H new ATOM 420 N GLU A 29 -0.252 7.006 11.563 1.00 0.00 N ATOM 421 CA GLU A 29 -0.958 8.078 10.883 1.00 0.00 C ATOM 422 C GLU A 29 -0.441 8.229 9.451 1.00 0.00 C ATOM 423 O GLU A 29 0.765 8.189 9.214 1.00 0.00 O ATOM 424 CB GLU A 29 -0.829 9.394 11.653 1.00 0.00 C ATOM 425 CG GLU A 29 -2.057 9.637 12.533 1.00 0.00 C ATOM 426 CD GLU A 29 -1.712 10.541 13.718 1.00 0.00 C ATOM 427 OE1 GLU A 29 -0.564 10.431 14.201 1.00 0.00 O ATOM 428 OE2 GLU A 29 -2.604 11.323 14.114 1.00 0.00 O ATOM 0 H GLU A 29 0.763 7.106 11.579 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.016 7.821 10.842 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.068 9.371 12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.711 10.220 10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.849 10.095 11.940 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.442 8.685 12.898 1.00 0.00 H new ATOM 435 N ILE A 30 -1.381 8.398 8.532 1.00 0.00 N ATOM 436 CA ILE A 30 -1.036 8.554 7.129 1.00 0.00 C ATOM 437 C ILE A 30 -1.948 9.609 6.498 1.00 0.00 C ATOM 438 O ILE A 30 -2.888 10.082 7.135 1.00 0.00 O ATOM 439 CB ILE A 30 -1.073 7.202 6.414 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.466 6.575 6.499 1.00 0.00 C ATOM 441 CG2 ILE A 30 0.010 6.267 6.954 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.481 5.183 5.865 1.00 0.00 C ATOM 0 H ILE A 30 -2.381 8.430 8.732 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.012 8.914 7.026 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.858 7.368 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.775 6.507 7.542 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.189 7.216 5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.038 5.313 6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.990 6.718 6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.149 6.103 8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.483 4.760 5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.195 5.258 4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.775 4.537 6.388 1.00 0.00 H new ATOM 454 N LYS A 31 -1.639 9.945 5.255 1.00 0.00 N ATOM 455 CA LYS A 31 -2.419 10.935 4.531 1.00 0.00 C ATOM 456 C LYS A 31 -2.810 10.370 3.164 1.00 0.00 C ATOM 457 O LYS A 31 -2.273 9.350 2.733 1.00 0.00 O ATOM 458 CB LYS A 31 -1.663 12.262 4.455 1.00 0.00 C ATOM 459 CG LYS A 31 -2.026 13.169 5.632 1.00 0.00 C ATOM 460 CD LYS A 31 -2.507 14.537 5.142 1.00 0.00 C ATOM 461 CE LYS A 31 -1.388 15.575 5.230 1.00 0.00 C ATOM 462 NZ LYS A 31 -1.898 16.919 4.876 1.00 0.00 N ATOM 0 H LYS A 31 -0.859 9.550 4.730 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.345 11.153 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.589 12.073 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.899 12.765 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.806 12.699 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.158 13.295 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.853 14.457 4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.358 14.863 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.977 15.590 6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.575 15.300 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.125 17.612 4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.269 16.905 3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.658 17.186 5.533 1.00 0.00 H new ATOM 476 N LYS A 32 -3.741 11.057 2.519 1.00 0.00 N ATOM 477 CA LYS A 32 -4.209 10.636 1.210 1.00 0.00 C ATOM 478 C LYS A 32 -3.372 11.322 0.129 1.00 0.00 C ATOM 479 O LYS A 32 -3.305 10.848 -1.004 1.00 0.00 O ATOM 480 CB LYS A 32 -5.713 10.885 1.073 1.00 0.00 C ATOM 481 CG LYS A 32 -6.291 10.111 -0.113 1.00 0.00 C ATOM 482 CD LYS A 32 -7.709 10.584 -0.438 1.00 0.00 C ATOM 483 CE LYS A 32 -8.559 9.435 -0.983 1.00 0.00 C ATOM 484 NZ LYS A 32 -9.119 9.787 -2.307 1.00 0.00 N ATOM 0 H LYS A 32 -4.184 11.902 2.879 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.074 9.562 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.220 10.584 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.898 11.951 0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.651 10.244 -0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.303 9.045 0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.175 10.992 0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.668 11.390 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.952 8.534 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.368 9.211 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.693 8.996 -2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.715 10.635 -2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.343 9.978 -2.973 1.00 0.00 H new ATOM 498 N GLY A 33 -2.753 12.427 0.517 1.00 0.00 N ATOM 499 CA GLY A 33 -1.922 13.183 -0.405 1.00 0.00 C ATOM 500 C GLY A 33 -0.615 12.443 -0.698 1.00 0.00 C ATOM 501 O GLY A 33 -0.247 12.262 -1.858 1.00 0.00 O ATOM 0 H GLY A 33 -2.810 12.817 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.465 13.352 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.702 14.163 0.018 1.00 0.00 H new ATOM 505 N PRO A 34 0.067 12.023 0.401 1.00 0.00 N ATOM 506 CA PRO A 34 1.325 11.307 0.273 1.00 0.00 C ATOM 507 C PRO A 34 1.090 9.863 -0.175 1.00 0.00 C ATOM 508 O PRO A 34 1.860 9.322 -0.967 1.00 0.00 O ATOM 509 CB PRO A 34 1.975 11.406 1.643 1.00 0.00 C ATOM 510 CG PRO A 34 0.858 11.767 2.609 1.00 0.00 C ATOM 511 CD PRO A 34 -0.339 12.219 1.790 1.00 0.00 C ATOM 0 HA PRO A 34 1.975 11.731 -0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.443 10.462 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.758 12.164 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.595 10.908 3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.179 12.560 3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.227 11.633 2.030 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.583 13.263 1.988 1.00 0.00 H new ATOM 519 N TRP A 35 0.023 9.280 0.351 1.00 0.00 N ATOM 520 CA TRP A 35 -0.323 7.909 0.015 1.00 0.00 C ATOM 521 C TRP A 35 -0.288 7.772 -1.508 1.00 0.00 C ATOM 522 O TRP A 35 0.164 6.756 -2.033 1.00 0.00 O ATOM 523 CB TRP A 35 -1.674 7.521 0.619 1.00 0.00 C ATOM 524 CG TRP A 35 -2.179 6.145 0.181 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.771 5.813 -0.975 1.00 0.00 C ATOM 526 CD2 TRP A 35 -2.113 4.922 0.944 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.089 4.471 -1.012 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.676 3.912 0.191 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.594 4.677 2.227 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.775 2.588 0.636 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.700 3.349 2.658 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.264 2.320 1.912 1.00 0.00 C ATOM 0 H TRP A 35 -0.614 9.732 1.008 1.00 0.00 H new ATOM 0 HA TRP A 35 0.398 7.213 0.444 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.593 7.538 1.706 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.413 8.273 0.343 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.973 6.508 -1.776 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.544 3.979 -1.781 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.148 5.452 2.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.221 1.815 0.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.317 3.107 3.638 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.308 1.319 2.315 1.00 0.00 H new ATOM 543 N ARG A 36 -0.770 8.811 -2.175 1.00 0.00 N ATOM 544 CA ARG A 36 -0.799 8.819 -3.628 1.00 0.00 C ATOM 545 C ARG A 36 0.594 9.117 -4.185 1.00 0.00 C ATOM 546 O ARG A 36 1.081 8.405 -5.062 1.00 0.00 O ATOM 547 CB ARG A 36 -1.785 9.864 -4.153 1.00 0.00 C ATOM 548 CG ARG A 36 -2.012 9.698 -5.657 1.00 0.00 C ATOM 549 CD ARG A 36 -3.460 10.021 -6.032 1.00 0.00 C ATOM 550 NE ARG A 36 -3.493 10.819 -7.278 1.00 0.00 N ATOM 551 CZ ARG A 36 -3.424 10.294 -8.509 1.00 0.00 C ATOM 552 NH1 ARG A 36 -3.316 8.967 -8.666 1.00 0.00 N ATOM 553 NH2 ARG A 36 -3.462 11.095 -9.582 1.00 0.00 N ATOM 0 H ARG A 36 -1.143 9.653 -1.736 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.123 7.832 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.734 9.770 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.404 10.864 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.336 10.354 -6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.775 8.676 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.024 9.098 -6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.939 10.573 -5.224 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.573 11.832 -7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.286 8.357 -7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.263 8.567 -9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.543 12.105 -9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.409 10.695 -10.519 1.00 0.00 H new ATOM 567 N THR A 37 1.197 10.170 -3.653 1.00 0.00 N ATOM 568 CA THR A 37 2.524 10.571 -4.086 1.00 0.00 C ATOM 569 C THR A 37 3.502 9.400 -3.962 1.00 0.00 C ATOM 570 O THR A 37 4.189 9.056 -4.922 1.00 0.00 O ATOM 571 CB THR A 37 2.938 11.797 -3.270 1.00 0.00 C ATOM 572 OG1 THR A 37 2.187 12.864 -3.842 1.00 0.00 O ATOM 573 CG2 THR A 37 4.395 12.197 -3.511 1.00 0.00 C ATOM 0 H THR A 37 0.790 10.758 -2.925 1.00 0.00 H new ATOM 0 HA THR A 37 2.529 10.848 -5.140 1.00 0.00 H new ATOM 0 HB THR A 37 2.788 11.594 -2.210 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.316 12.926 -3.397 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.637 13.072 -2.908 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.050 11.372 -3.232 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.538 12.433 -4.566 1.00 0.00 H new ATOM 581 N PHE A 38 3.533 8.821 -2.770 1.00 0.00 N ATOM 582 CA PHE A 38 4.415 7.697 -2.508 1.00 0.00 C ATOM 583 C PHE A 38 4.153 6.554 -3.491 1.00 0.00 C ATOM 584 O PHE A 38 5.065 5.799 -3.828 1.00 0.00 O ATOM 585 CB PHE A 38 4.112 7.213 -1.089 1.00 0.00 C ATOM 586 CG PHE A 38 4.698 8.101 0.010 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.948 8.620 -0.129 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.970 8.373 1.126 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.492 9.444 0.891 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.514 9.197 2.146 1.00 0.00 C ATOM 591 CZ PHE A 38 5.763 9.716 2.007 1.00 0.00 C ATOM 0 H PHE A 38 2.962 9.109 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 38 5.455 8.005 -2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.031 7.157 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.501 6.202 -0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.526 8.405 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.977 7.962 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.485 9.855 0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.936 9.412 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.176 10.344 2.782 1.00 0.00 H new ATOM 601 N CYS A 39 2.904 6.462 -3.923 1.00 0.00 N ATOM 602 CA CYS A 39 2.511 5.423 -4.860 1.00 0.00 C ATOM 603 C CYS A 39 2.401 6.049 -6.252 1.00 0.00 C ATOM 604 O CYS A 39 1.845 5.443 -7.167 1.00 0.00 O ATOM 605 CB CYS A 39 1.209 4.742 -4.436 1.00 0.00 C ATOM 606 SG CYS A 39 1.038 3.131 -5.288 1.00 0.00 S ATOM 0 H CYS A 39 2.151 7.090 -3.642 1.00 0.00 H new ATOM 0 HA CYS A 39 3.267 4.637 -4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.201 4.594 -3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.360 5.382 -4.676 1.00 0.00 H new ATOM 0 HG CYS A 39 0.253 2.357 -4.599 1.00 0.00 H new ATOM 612 N ALA A 40 2.938 7.255 -6.368 1.00 0.00 N ATOM 613 CA ALA A 40 2.907 7.969 -7.633 1.00 0.00 C ATOM 614 C ALA A 40 4.221 7.733 -8.380 1.00 0.00 C ATOM 615 O ALA A 40 4.219 7.231 -9.503 1.00 0.00 O ATOM 616 CB ALA A 40 2.642 9.454 -7.374 1.00 0.00 C ATOM 0 H ALA A 40 3.397 7.755 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 40 2.099 7.598 -8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.619 9.990 -8.323 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.684 9.570 -6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.435 9.861 -6.747 1.00 0.00 H new ATOM 622 N SER A 41 5.312 8.106 -7.726 1.00 0.00 N ATOM 623 CA SER A 41 6.630 7.941 -8.314 1.00 0.00 C ATOM 624 C SER A 41 7.684 7.822 -7.212 1.00 0.00 C ATOM 625 O SER A 41 8.801 8.314 -7.360 1.00 0.00 O ATOM 626 CB SER A 41 6.967 9.106 -9.247 1.00 0.00 C ATOM 627 OG SER A 41 7.797 8.700 -10.331 1.00 0.00 O ATOM 0 H SER A 41 5.310 8.522 -6.795 1.00 0.00 H new ATOM 0 HA SER A 41 6.628 7.026 -8.906 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.045 9.536 -9.638 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.469 9.890 -8.680 1.00 0.00 H new ATOM 0 HG SER A 41 7.988 9.472 -10.904 1.00 0.00 H new ATOM 633 N GLU A 42 7.291 7.164 -6.130 1.00 0.00 N ATOM 634 CA GLU A 42 8.188 6.974 -5.003 1.00 0.00 C ATOM 635 C GLU A 42 8.478 5.485 -4.801 1.00 0.00 C ATOM 636 O GLU A 42 9.633 5.089 -4.655 1.00 0.00 O ATOM 637 CB GLU A 42 7.610 7.597 -3.731 1.00 0.00 C ATOM 638 CG GLU A 42 8.717 7.912 -2.723 1.00 0.00 C ATOM 639 CD GLU A 42 9.301 9.305 -2.967 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.492 10.223 -3.224 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.543 9.421 -2.891 1.00 0.00 O ATOM 0 H GLU A 42 6.364 6.756 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 42 9.128 7.481 -5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.071 8.511 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.889 6.914 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.319 7.853 -1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.507 7.164 -2.799 1.00 0.00 H new ATOM 648 N TRP A 43 7.410 4.702 -4.800 1.00 0.00 N ATOM 649 CA TRP A 43 7.535 3.266 -4.618 1.00 0.00 C ATOM 650 C TRP A 43 7.989 2.659 -5.948 1.00 0.00 C ATOM 651 O TRP A 43 8.870 1.802 -5.974 1.00 0.00 O ATOM 652 CB TRP A 43 6.228 2.662 -4.101 1.00 0.00 C ATOM 653 CG TRP A 43 5.977 2.905 -2.611 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.873 3.212 -1.663 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.704 2.847 -1.933 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.273 3.357 -0.429 1.00 0.00 N ATOM 657 CE2 TRP A 43 4.912 3.128 -0.598 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.420 2.567 -2.432 1.00 0.00 C ATOM 659 CZ2 TRP A 43 3.882 3.156 0.349 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.400 2.599 -1.472 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.593 2.880 -0.125 1.00 0.00 C ATOM 0 H TRP A 43 6.454 5.035 -4.922 1.00 0.00 H new ATOM 0 HA TRP A 43 8.281 3.038 -3.857 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.397 3.077 -4.671 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.237 1.588 -4.287 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.931 3.331 -1.842 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.742 3.590 0.447 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.235 2.345 -3.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.071 3.378 1.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.393 2.391 -1.802 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.753 2.886 0.554 1.00 0.00 H new ATOM 672 N PRO A 44 7.350 3.140 -7.047 1.00 0.00 N ATOM 673 CA PRO A 44 7.678 2.655 -8.377 1.00 0.00 C ATOM 674 C PRO A 44 9.012 3.232 -8.857 1.00 0.00 C ATOM 675 O PRO A 44 9.439 2.966 -9.979 1.00 0.00 O ATOM 676 CB PRO A 44 6.504 3.069 -9.248 1.00 0.00 C ATOM 677 CG PRO A 44 5.784 4.168 -8.483 1.00 0.00 C ATOM 678 CD PRO A 44 6.301 4.156 -7.054 1.00 0.00 C ATOM 0 HA PRO A 44 7.817 1.574 -8.408 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.846 3.428 -10.219 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.840 2.225 -9.436 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.965 5.138 -8.947 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.707 4.003 -8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.693 5.132 -6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.508 3.911 -6.348 1.00 0.00 H new ATOM 686 N THR A 45 9.632 4.010 -7.983 1.00 0.00 N ATOM 687 CA THR A 45 10.908 4.627 -8.303 1.00 0.00 C ATOM 688 C THR A 45 11.983 4.176 -7.312 1.00 0.00 C ATOM 689 O THR A 45 13.039 4.798 -7.210 1.00 0.00 O ATOM 690 CB THR A 45 10.707 6.143 -8.333 1.00 0.00 C ATOM 691 OG1 THR A 45 10.242 6.457 -7.023 1.00 0.00 O ATOM 692 CG2 THR A 45 9.554 6.563 -9.248 1.00 0.00 C ATOM 0 H THR A 45 9.275 4.228 -7.053 1.00 0.00 H new ATOM 0 HA THR A 45 11.263 4.313 -9.284 1.00 0.00 H new ATOM 0 HB THR A 45 11.627 6.625 -8.664 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.967 7.397 -6.990 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.454 7.648 -9.233 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.758 6.231 -10.266 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.627 6.109 -8.897 1.00 0.00 H new ATOM 700 N PHE A 46 11.676 3.097 -6.606 1.00 0.00 N ATOM 701 CA PHE A 46 12.602 2.556 -5.626 1.00 0.00 C ATOM 702 C PHE A 46 13.532 1.522 -6.263 1.00 0.00 C ATOM 703 O PHE A 46 14.429 0.998 -5.604 1.00 0.00 O ATOM 704 CB PHE A 46 11.761 1.871 -4.546 1.00 0.00 C ATOM 705 CG PHE A 46 11.507 2.739 -3.312 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.598 4.093 -3.402 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.190 2.156 -2.124 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.362 4.898 -2.256 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.954 2.961 -0.979 1.00 0.00 C ATOM 710 CZ PHE A 46 11.045 4.315 -1.069 1.00 0.00 C ATOM 0 H PHE A 46 10.799 2.583 -6.693 1.00 0.00 H new ATOM 0 HA PHE A 46 13.218 3.356 -5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.803 1.580 -4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.263 0.954 -4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.850 4.556 -4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.118 1.081 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.434 5.973 -2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.702 2.498 -0.036 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.865 4.927 -0.198 1.00 0.00 H new ATOM 720 N ASP A 47 13.287 1.259 -7.538 1.00 0.00 N ATOM 721 CA ASP A 47 14.091 0.297 -8.272 1.00 0.00 C ATOM 722 C ASP A 47 13.947 -1.082 -7.624 1.00 0.00 C ATOM 723 O ASP A 47 14.793 -1.490 -6.831 1.00 0.00 O ATOM 724 CB ASP A 47 15.572 0.680 -8.242 1.00 0.00 C ATOM 725 CG ASP A 47 16.039 1.546 -9.414 1.00 0.00 C ATOM 726 OD1 ASP A 47 16.176 0.979 -10.519 1.00 0.00 O ATOM 727 OD2 ASP A 47 16.249 2.756 -9.177 1.00 0.00 O ATOM 0 H ASP A 47 12.543 1.696 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 47 13.742 0.285 -9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.776 1.212 -7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.168 -0.233 -8.224 1.00 0.00 H new ATOM 732 N VAL A 48 12.868 -1.761 -7.986 1.00 0.00 N ATOM 733 CA VAL A 48 12.602 -3.085 -7.450 1.00 0.00 C ATOM 734 C VAL A 48 11.627 -3.818 -8.373 1.00 0.00 C ATOM 735 O VAL A 48 11.945 -4.884 -8.898 1.00 0.00 O ATOM 736 CB VAL A 48 12.095 -2.974 -6.011 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.261 -2.890 -5.024 1.00 0.00 C ATOM 738 CG2 VAL A 48 11.154 -1.779 -5.852 1.00 0.00 C ATOM 0 H VAL A 48 12.168 -1.419 -8.644 1.00 0.00 H new ATOM 0 HA VAL A 48 13.519 -3.674 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 48 11.529 -3.878 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.873 -2.812 -4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.876 -3.786 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.866 -2.012 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.808 -1.723 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.685 -0.862 -6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.298 -1.899 -6.516 1.00 0.00 H new ATOM 748 N GLY A 49 10.459 -3.217 -8.544 1.00 0.00 N ATOM 749 CA GLY A 49 9.435 -3.799 -9.395 1.00 0.00 C ATOM 750 C GLY A 49 8.037 -3.369 -8.944 1.00 0.00 C ATOM 751 O GLY A 49 7.111 -4.179 -8.924 1.00 0.00 O ATOM 0 H GLY A 49 10.199 -2.333 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.598 -3.492 -10.428 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.511 -4.886 -9.370 1.00 0.00 H new ATOM 755 N TRP A 50 7.929 -2.096 -8.593 1.00 0.00 N ATOM 756 CA TRP A 50 6.660 -1.549 -8.144 1.00 0.00 C ATOM 757 C TRP A 50 6.091 -0.687 -9.272 1.00 0.00 C ATOM 758 O TRP A 50 6.745 0.244 -9.738 1.00 0.00 O ATOM 759 CB TRP A 50 6.829 -0.781 -6.831 1.00 0.00 C ATOM 760 CG TRP A 50 5.549 -0.102 -6.339 1.00 0.00 C ATOM 761 CD1 TRP A 50 4.975 1.015 -6.806 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.702 -0.545 -5.258 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.825 1.323 -6.108 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.654 0.344 -5.137 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.817 -1.661 -4.410 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.641 0.210 -4.179 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.797 -1.781 -3.459 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.736 -0.895 -3.324 1.00 0.00 C ATOM 0 H TRP A 50 8.699 -1.428 -8.610 1.00 0.00 H new ATOM 0 HA TRP A 50 5.951 -2.347 -7.925 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.182 -1.469 -6.062 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.603 -0.024 -6.961 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.364 1.601 -7.626 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.213 2.122 -6.274 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.628 -2.370 -4.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.831 0.920 -4.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.838 -2.622 -2.782 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.987 -1.058 -2.563 1.00 0.00 H new ATOM 779 N PRO A 51 4.844 -1.037 -9.690 1.00 0.00 N ATOM 780 CA PRO A 51 4.179 -0.306 -10.755 1.00 0.00 C ATOM 781 C PRO A 51 3.669 1.047 -10.255 1.00 0.00 C ATOM 782 O PRO A 51 3.594 1.280 -9.050 1.00 0.00 O ATOM 783 CB PRO A 51 3.063 -1.225 -11.224 1.00 0.00 C ATOM 784 CG PRO A 51 2.851 -2.230 -10.104 1.00 0.00 C ATOM 785 CD PRO A 51 4.039 -2.134 -9.161 1.00 0.00 C ATOM 0 HA PRO A 51 4.848 -0.061 -11.580 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.151 -0.662 -11.421 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.335 -1.727 -12.153 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.923 -2.019 -9.572 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.764 -3.239 -10.508 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.718 -1.933 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.604 -3.066 -9.140 1.00 0.00 H new ATOM 793 N PRO A 52 3.323 1.927 -11.233 1.00 0.00 N ATOM 794 CA PRO A 52 2.822 3.251 -10.905 1.00 0.00 C ATOM 795 C PRO A 52 1.377 3.183 -10.406 1.00 0.00 C ATOM 796 O PRO A 52 0.931 4.057 -9.666 1.00 0.00 O ATOM 797 CB PRO A 52 2.971 4.056 -12.186 1.00 0.00 C ATOM 798 CG PRO A 52 3.113 3.037 -13.305 1.00 0.00 C ATOM 799 CD PRO A 52 3.398 1.685 -12.671 1.00 0.00 C ATOM 0 HA PRO A 52 3.373 3.719 -10.089 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.104 4.696 -12.348 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.843 4.708 -12.138 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.201 2.995 -13.901 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.921 3.320 -13.979 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.669 0.938 -12.986 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.381 1.312 -12.959 1.00 0.00 H new ATOM 807 N GLU A 53 0.687 2.136 -10.833 1.00 0.00 N ATOM 808 CA GLU A 53 -0.698 1.942 -10.439 1.00 0.00 C ATOM 809 C GLU A 53 -0.771 1.213 -9.095 1.00 0.00 C ATOM 810 O GLU A 53 -1.785 1.282 -8.402 1.00 0.00 O ATOM 811 CB GLU A 53 -1.474 1.183 -11.517 1.00 0.00 C ATOM 812 CG GLU A 53 -1.643 2.038 -12.775 1.00 0.00 C ATOM 813 CD GLU A 53 -0.380 1.999 -13.638 1.00 0.00 C ATOM 814 OE1 GLU A 53 0.256 0.924 -13.664 1.00 0.00 O ATOM 815 OE2 GLU A 53 -0.081 3.046 -14.252 1.00 0.00 O ATOM 0 H GLU A 53 1.061 1.413 -11.448 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.163 2.921 -10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.949 0.261 -11.767 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.453 0.898 -11.133 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.494 1.677 -13.353 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.863 3.067 -12.493 1.00 0.00 H new ATOM 822 N GLY A 54 0.317 0.531 -8.769 1.00 0.00 N ATOM 823 CA GLY A 54 0.389 -0.210 -7.521 1.00 0.00 C ATOM 824 C GLY A 54 0.179 -1.707 -7.759 1.00 0.00 C ATOM 825 O GLY A 54 -0.130 -2.124 -8.874 1.00 0.00 O ATOM 0 H GLY A 54 1.156 0.476 -9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.359 -0.045 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.367 0.161 -6.829 1.00 0.00 H new ATOM 829 N THR A 55 0.354 -2.474 -6.693 1.00 0.00 N ATOM 830 CA THR A 55 0.188 -3.915 -6.772 1.00 0.00 C ATOM 831 C THR A 55 -0.027 -4.504 -5.377 1.00 0.00 C ATOM 832 O THR A 55 0.610 -4.079 -4.414 1.00 0.00 O ATOM 833 CB THR A 55 1.407 -4.493 -7.495 1.00 0.00 C ATOM 834 OG1 THR A 55 1.054 -5.852 -7.738 1.00 0.00 O ATOM 835 CG2 THR A 55 2.636 -4.583 -6.589 1.00 0.00 C ATOM 0 H THR A 55 0.609 -2.124 -5.769 1.00 0.00 H new ATOM 0 HA THR A 55 -0.702 -4.180 -7.343 1.00 0.00 H new ATOM 0 HB THR A 55 1.641 -3.877 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.788 -6.302 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.472 -4.999 -7.151 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.899 -3.587 -6.232 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.414 -5.227 -5.738 1.00 0.00 H new ATOM 843 N PHE A 56 -0.927 -5.475 -5.312 1.00 0.00 N ATOM 844 CA PHE A 56 -1.234 -6.127 -4.050 1.00 0.00 C ATOM 845 C PHE A 56 -0.403 -7.400 -3.874 1.00 0.00 C ATOM 846 O PHE A 56 -0.847 -8.352 -3.235 1.00 0.00 O ATOM 847 CB PHE A 56 -2.717 -6.502 -4.089 1.00 0.00 C ATOM 848 CG PHE A 56 -3.663 -5.320 -3.867 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.663 -4.663 -2.676 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.505 -4.927 -4.860 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.541 -3.567 -2.470 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.383 -3.831 -4.654 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.383 -3.174 -3.463 1.00 0.00 C ATOM 0 H PHE A 56 -1.453 -5.826 -6.112 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.005 -5.458 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.941 -6.957 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.911 -7.257 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.995 -4.975 -1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.506 -5.449 -5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.540 -3.045 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.051 -3.519 -5.443 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.052 -2.340 -3.306 1.00 0.00 H new ATOM 863 N ASP A 57 0.789 -7.375 -4.452 1.00 0.00 N ATOM 864 CA ASP A 57 1.686 -8.514 -4.368 1.00 0.00 C ATOM 865 C ASP A 57 2.637 -8.323 -3.184 1.00 0.00 C ATOM 866 O ASP A 57 3.523 -7.471 -3.227 1.00 0.00 O ATOM 867 CB ASP A 57 2.531 -8.646 -5.637 1.00 0.00 C ATOM 868 CG ASP A 57 3.479 -9.846 -5.660 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.107 -10.876 -5.057 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.555 -9.707 -6.281 1.00 0.00 O ATOM 0 H ASP A 57 1.154 -6.583 -4.981 1.00 0.00 H new ATOM 0 HA ASP A 57 1.080 -9.411 -4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.862 -8.714 -6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.118 -7.736 -5.761 1.00 0.00 H new ATOM 875 N LEU A 58 2.420 -9.129 -2.156 1.00 0.00 N ATOM 876 CA LEU A 58 3.246 -9.059 -0.963 1.00 0.00 C ATOM 877 C LEU A 58 4.720 -9.003 -1.371 1.00 0.00 C ATOM 878 O LEU A 58 5.503 -8.260 -0.782 1.00 0.00 O ATOM 879 CB LEU A 58 2.915 -10.212 -0.013 1.00 0.00 C ATOM 880 CG LEU A 58 2.881 -9.864 1.477 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.525 -9.278 1.873 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.253 -11.078 2.331 1.00 0.00 C ATOM 0 H LEU A 58 1.684 -9.834 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 58 3.033 -8.146 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.944 -10.620 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.649 -11.004 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 58 3.630 -9.095 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.528 -9.040 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.339 -8.371 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.740 -10.005 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.221 -10.804 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.545 -11.885 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.258 -11.410 2.072 1.00 0.00 H new ATOM 894 N THR A 59 5.053 -9.799 -2.377 1.00 0.00 N ATOM 895 CA THR A 59 6.418 -9.850 -2.870 1.00 0.00 C ATOM 896 C THR A 59 6.885 -8.455 -3.292 1.00 0.00 C ATOM 897 O THR A 59 7.932 -7.986 -2.848 1.00 0.00 O ATOM 898 CB THR A 59 6.474 -10.877 -4.002 1.00 0.00 C ATOM 899 OG1 THR A 59 6.504 -12.133 -3.330 1.00 0.00 O ATOM 900 CG2 THR A 59 7.798 -10.833 -4.769 1.00 0.00 C ATOM 0 H THR A 59 4.400 -10.414 -2.864 1.00 0.00 H new ATOM 0 HA THR A 59 7.109 -10.168 -2.089 1.00 0.00 H new ATOM 0 HB THR A 59 5.649 -10.701 -4.692 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.539 -12.856 -3.990 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.785 -11.582 -5.561 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.932 -9.844 -5.207 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.621 -11.042 -4.086 1.00 0.00 H new ATOM 908 N VAL A 60 6.085 -7.831 -4.145 1.00 0.00 N ATOM 909 CA VAL A 60 6.403 -6.500 -4.632 1.00 0.00 C ATOM 910 C VAL A 60 6.311 -5.503 -3.475 1.00 0.00 C ATOM 911 O VAL A 60 7.021 -4.499 -3.458 1.00 0.00 O ATOM 912 CB VAL A 60 5.489 -6.140 -5.805 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.845 -4.765 -6.375 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.543 -7.215 -6.892 1.00 0.00 C ATOM 0 H VAL A 60 5.217 -8.223 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 60 7.425 -6.466 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 60 4.466 -6.093 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.181 -4.533 -7.207 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.731 -4.009 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.877 -4.773 -6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.884 -6.935 -7.714 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.564 -7.308 -7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.219 -8.169 -6.477 1.00 0.00 H new ATOM 924 N ILE A 61 5.431 -5.815 -2.535 1.00 0.00 N ATOM 925 CA ILE A 61 5.237 -4.959 -1.377 1.00 0.00 C ATOM 926 C ILE A 61 6.475 -5.034 -0.480 1.00 0.00 C ATOM 927 O ILE A 61 7.059 -4.008 -0.136 1.00 0.00 O ATOM 928 CB ILE A 61 3.935 -5.317 -0.659 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.720 -4.993 -1.532 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.857 -4.633 0.708 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.430 -5.503 -0.887 1.00 0.00 C ATOM 0 H ILE A 61 4.844 -6.649 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 61 5.129 -3.919 -1.685 1.00 0.00 H new ATOM 0 HB ILE A 61 3.927 -6.393 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.654 -3.916 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.843 -5.446 -2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.922 -4.904 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.696 -4.955 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.898 -3.552 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.582 -5.260 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.490 -6.584 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.298 -5.029 0.086 1.00 0.00 H new ATOM 943 N PHE A 62 6.837 -6.259 -0.128 1.00 0.00 N ATOM 944 CA PHE A 62 7.994 -6.481 0.722 1.00 0.00 C ATOM 945 C PHE A 62 9.244 -5.827 0.129 1.00 0.00 C ATOM 946 O PHE A 62 10.170 -5.475 0.858 1.00 0.00 O ATOM 947 CB PHE A 62 8.211 -7.994 0.796 1.00 0.00 C ATOM 948 CG PHE A 62 7.692 -8.635 2.085 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.355 -8.685 2.328 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.568 -9.154 2.987 1.00 0.00 C ATOM 951 CE1 PHE A 62 5.873 -9.280 3.525 1.00 0.00 C ATOM 952 CE2 PHE A 62 8.086 -9.749 4.183 1.00 0.00 C ATOM 953 CZ PHE A 62 6.749 -9.799 4.426 1.00 0.00 C ATOM 0 H PHE A 62 6.350 -7.108 -0.416 1.00 0.00 H new ATOM 0 HA PHE A 62 7.821 -6.046 1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.718 -8.463 -0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.277 -8.203 0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.660 -8.273 1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.630 -9.114 2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.811 -9.320 3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.781 -10.162 4.899 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.383 -10.251 5.336 1.00 0.00 H new ATOM 963 N GLU A 63 9.230 -5.685 -1.188 1.00 0.00 N ATOM 964 CA GLU A 63 10.351 -5.079 -1.887 1.00 0.00 C ATOM 965 C GLU A 63 10.533 -3.627 -1.440 1.00 0.00 C ATOM 966 O GLU A 63 11.629 -3.228 -1.049 1.00 0.00 O ATOM 967 CB GLU A 63 10.163 -5.167 -3.403 1.00 0.00 C ATOM 968 CG GLU A 63 10.363 -6.601 -3.898 1.00 0.00 C ATOM 969 CD GLU A 63 11.814 -6.837 -4.323 1.00 0.00 C ATOM 970 OE1 GLU A 63 12.314 -6.011 -5.117 1.00 0.00 O ATOM 971 OE2 GLU A 63 12.390 -7.837 -3.844 1.00 0.00 O ATOM 0 H GLU A 63 8.461 -5.979 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 63 11.255 -5.632 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.164 -4.822 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.872 -4.505 -3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.093 -7.303 -3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.698 -6.795 -4.739 1.00 0.00 H new ATOM 978 N VAL A 64 9.443 -2.878 -1.513 1.00 0.00 N ATOM 979 CA VAL A 64 9.469 -1.479 -1.121 1.00 0.00 C ATOM 980 C VAL A 64 9.646 -1.382 0.396 1.00 0.00 C ATOM 981 O VAL A 64 10.381 -0.526 0.885 1.00 0.00 O ATOM 982 CB VAL A 64 8.209 -0.771 -1.623 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.949 0.513 -0.832 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.302 -0.482 -3.122 1.00 0.00 C ATOM 0 H VAL A 64 8.536 -3.213 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 64 10.316 -0.969 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 64 7.363 -1.440 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.048 0.996 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.817 0.270 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.797 1.188 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.394 0.021 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.163 0.158 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.416 -1.419 -3.667 1.00 0.00 H new ATOM 994 N LYS A 65 8.960 -2.272 1.097 1.00 0.00 N ATOM 995 CA LYS A 65 9.032 -2.298 2.548 1.00 0.00 C ATOM 996 C LYS A 65 10.482 -2.521 2.979 1.00 0.00 C ATOM 997 O LYS A 65 10.936 -1.946 3.967 1.00 0.00 O ATOM 998 CB LYS A 65 8.055 -3.331 3.115 1.00 0.00 C ATOM 999 CG LYS A 65 8.127 -3.373 4.643 1.00 0.00 C ATOM 1000 CD LYS A 65 7.803 -4.772 5.169 1.00 0.00 C ATOM 1001 CE LYS A 65 8.702 -5.135 6.352 1.00 0.00 C ATOM 1002 NZ LYS A 65 9.375 -6.432 6.114 1.00 0.00 N ATOM 0 H LYS A 65 8.351 -2.981 0.687 1.00 0.00 H new ATOM 0 HA LYS A 65 8.721 -1.339 2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.040 -3.087 2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.286 -4.316 2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.124 -3.079 4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.427 -2.651 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.758 -4.816 5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.933 -5.503 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.447 -4.354 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.108 -5.189 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.981 -6.663 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.660 -7.177 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.958 -6.368 5.255 1.00 0.00 H new ATOM 1016 N ALA A 66 11.170 -3.359 2.216 1.00 0.00 N ATOM 1017 CA ALA A 66 12.560 -3.665 2.506 1.00 0.00 C ATOM 1018 C ALA A 66 13.372 -2.369 2.523 1.00 0.00 C ATOM 1019 O ALA A 66 14.074 -2.083 3.492 1.00 0.00 O ATOM 1020 CB ALA A 66 13.087 -4.670 1.479 1.00 0.00 C ATOM 0 H ALA A 66 10.790 -3.835 1.398 1.00 0.00 H new ATOM 0 HA ALA A 66 12.654 -4.124 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.130 -4.900 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.496 -5.585 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.011 -4.243 0.479 1.00 0.00 H new ATOM 1026 N ILE A 67 13.249 -1.617 1.438 1.00 0.00 N ATOM 1027 CA ILE A 67 13.962 -0.358 1.315 1.00 0.00 C ATOM 1028 C ILE A 67 13.419 0.634 2.346 1.00 0.00 C ATOM 1029 O ILE A 67 14.187 1.312 3.025 1.00 0.00 O ATOM 1030 CB ILE A 67 13.899 0.156 -0.124 1.00 0.00 C ATOM 1031 CG1 ILE A 67 14.556 -0.834 -1.089 1.00 0.00 C ATOM 1032 CG2 ILE A 67 14.509 1.555 -0.235 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.576 -1.265 -2.183 1.00 0.00 C ATOM 0 H ILE A 67 12.666 -1.857 0.636 1.00 0.00 H new ATOM 0 HA ILE A 67 15.021 -0.498 1.533 1.00 0.00 H new ATOM 0 HB ILE A 67 12.851 0.239 -0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 67 15.435 -0.376 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.901 -1.710 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.451 1.896 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.959 2.244 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.552 1.523 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.067 -1.968 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.709 -1.744 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.252 -0.390 -2.747 1.00 0.00 H new ATOM 1045 N VAL A 68 12.097 0.686 2.431 1.00 0.00 N ATOM 1046 CA VAL A 68 11.442 1.583 3.367 1.00 0.00 C ATOM 1047 C VAL A 68 11.953 1.299 4.781 1.00 0.00 C ATOM 1048 O VAL A 68 12.374 2.214 5.488 1.00 0.00 O ATOM 1049 CB VAL A 68 9.923 1.450 3.243 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.222 1.992 4.490 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.413 2.148 1.981 1.00 0.00 C ATOM 0 H VAL A 68 11.462 0.121 1.867 1.00 0.00 H new ATOM 0 HA VAL A 68 11.684 2.620 3.136 1.00 0.00 H new ATOM 0 HB VAL A 68 9.685 0.390 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.143 1.886 4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.552 1.432 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.471 3.045 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.330 2.038 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.669 3.207 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.876 1.697 1.103 1.00 0.00 H new ATOM 1061 N PHE A 69 11.900 0.028 5.151 1.00 0.00 N ATOM 1062 CA PHE A 69 12.353 -0.387 6.468 1.00 0.00 C ATOM 1063 C PHE A 69 13.841 -0.744 6.449 1.00 0.00 C ATOM 1064 O PHE A 69 14.252 -1.738 7.046 1.00 0.00 O ATOM 1065 CB PHE A 69 11.547 -1.631 6.846 1.00 0.00 C ATOM 1066 CG PHE A 69 10.081 -1.346 7.178 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.247 -0.868 6.217 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.613 -1.570 8.435 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.886 -0.603 6.525 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.252 -1.305 8.743 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.417 -0.827 7.782 1.00 0.00 C ATOM 0 H PHE A 69 11.550 -0.728 4.562 1.00 0.00 H new ATOM 0 HA PHE A 69 12.211 0.423 7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.590 -2.343 6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.017 -2.109 7.706 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.619 -0.690 5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.276 -1.949 9.199 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.223 -0.224 5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.880 -1.483 9.741 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.382 -0.625 8.017 1.00 0.00 H new ATOM 1081 N GLN A 70 14.607 0.086 5.757 1.00 0.00 N ATOM 1082 CA GLN A 70 16.040 -0.129 5.652 1.00 0.00 C ATOM 1083 C GLN A 70 16.762 0.517 6.836 1.00 0.00 C ATOM 1084 O GLN A 70 16.123 1.051 7.741 1.00 0.00 O ATOM 1085 CB GLN A 70 16.579 0.405 4.324 1.00 0.00 C ATOM 1086 CG GLN A 70 16.638 1.934 4.331 1.00 0.00 C ATOM 1087 CD GLN A 70 17.227 2.466 3.023 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.405 2.767 2.920 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.346 2.564 2.032 1.00 0.00 N ATOM 0 H GLN A 70 14.262 0.909 5.263 1.00 0.00 H new ATOM 0 HA GLN A 70 16.229 -1.202 5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.575 -0.000 4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.943 0.066 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.636 2.339 4.474 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.243 2.274 5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.374 2.295 2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.642 2.908 1.119 1.00 0.00 H new ATOM 1098 N ASP A 71 18.084 0.447 6.792 1.00 0.00 N ATOM 1099 CA ASP A 71 18.900 1.018 7.850 1.00 0.00 C ATOM 1100 C ASP A 71 19.574 2.292 7.337 1.00 0.00 C ATOM 1101 O ASP A 71 19.991 2.355 6.181 1.00 0.00 O ATOM 1102 CB ASP A 71 19.997 0.045 8.286 1.00 0.00 C ATOM 1103 CG ASP A 71 21.106 0.662 9.141 1.00 0.00 C ATOM 1104 OD1 ASP A 71 22.092 1.135 8.536 1.00 0.00 O ATOM 1105 OD2 ASP A 71 20.943 0.648 10.380 1.00 0.00 O ATOM 0 H ASP A 71 18.611 0.003 6.040 1.00 0.00 H new ATOM 0 HA ASP A 71 18.250 1.232 8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.538 -0.770 8.846 1.00 0.00 H new ATOM 0 HB3 ASP A 71 20.447 -0.394 7.396 1.00 0.00 H new ATOM 1110 N GLY A 72 19.660 3.275 8.221 1.00 0.00 N ATOM 1111 CA GLY A 72 20.277 4.544 7.871 1.00 0.00 C ATOM 1112 C GLY A 72 19.221 5.636 7.694 1.00 0.00 C ATOM 1113 O GLY A 72 18.065 5.454 8.071 1.00 0.00 O ATOM 0 H GLY A 72 19.313 3.219 9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.981 4.837 8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.848 4.433 6.949 1.00 0.00 H new ATOM 1117 N PRO A 73 19.668 6.777 7.103 1.00 0.00 N ATOM 1118 CA PRO A 73 18.774 7.899 6.871 1.00 0.00 C ATOM 1119 C PRO A 73 17.835 7.618 5.696 1.00 0.00 C ATOM 1120 O PRO A 73 16.960 8.426 5.388 1.00 0.00 O ATOM 1121 CB PRO A 73 19.690 9.087 6.627 1.00 0.00 C ATOM 1122 CG PRO A 73 21.047 8.502 6.273 1.00 0.00 C ATOM 1123 CD PRO A 73 21.030 7.028 6.643 1.00 0.00 C ATOM 0 HA PRO A 73 18.111 8.090 7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.311 9.712 5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.756 9.718 7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.251 8.626 5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.839 9.022 6.812 1.00 0.00 H new ATOM 0 HD2 PRO A 73 21.280 6.402 5.787 1.00 0.00 H new ATOM 0 HD3 PRO A 73 21.758 6.807 7.423 1.00 0.00 H new ATOM 1131 N GLY A 74 18.049 6.469 5.071 1.00 0.00 N ATOM 1132 CA GLY A 74 17.232 6.071 3.937 1.00 0.00 C ATOM 1133 C GLY A 74 15.864 5.565 4.397 1.00 0.00 C ATOM 1134 O GLY A 74 14.866 5.740 3.699 1.00 0.00 O ATOM 0 H GLY A 74 18.776 5.801 5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.103 6.918 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.742 5.290 3.373 1.00 0.00 H new ATOM 1138 N SER A 75 15.860 4.947 5.569 1.00 0.00 N ATOM 1139 CA SER A 75 14.630 4.415 6.131 1.00 0.00 C ATOM 1140 C SER A 75 13.481 5.398 5.901 1.00 0.00 C ATOM 1141 O SER A 75 13.682 6.611 5.934 1.00 0.00 O ATOM 1142 CB SER A 75 14.788 4.123 7.625 1.00 0.00 C ATOM 1143 OG SER A 75 15.412 5.202 8.316 1.00 0.00 O ATOM 0 H SER A 75 16.689 4.803 6.145 1.00 0.00 H new ATOM 0 HA SER A 75 14.402 3.476 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.808 3.930 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.380 3.217 7.757 1.00 0.00 H new ATOM 0 HG SER A 75 16.384 5.077 8.308 1.00 0.00 H new ATOM 1149 N HIS A 76 12.302 4.838 5.673 1.00 0.00 N ATOM 1150 CA HIS A 76 11.121 5.651 5.438 1.00 0.00 C ATOM 1151 C HIS A 76 10.103 5.413 6.556 1.00 0.00 C ATOM 1152 O HIS A 76 9.233 4.553 6.435 1.00 0.00 O ATOM 1153 CB HIS A 76 10.545 5.382 4.046 1.00 0.00 C ATOM 1154 CG HIS A 76 11.574 5.408 2.941 1.00 0.00 C ATOM 1155 ND1 HIS A 76 11.465 6.230 1.833 1.00 0.00 N ATOM 1156 CD2 HIS A 76 12.733 4.704 2.785 1.00 0.00 C ATOM 1157 CE1 HIS A 76 12.515 6.022 1.052 1.00 0.00 C ATOM 1158 NE2 HIS A 76 13.299 5.076 1.644 1.00 0.00 N ATOM 0 H HIS A 76 12.139 3.831 5.646 1.00 0.00 H new ATOM 0 HA HIS A 76 11.392 6.707 5.459 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.054 4.409 4.049 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.777 6.126 3.832 1.00 0.00 H new ATOM 0 HD1 HIS A 76 10.705 6.885 1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.123 3.969 3.473 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.715 6.515 0.112 1.00 0.00 H new ATOM 1166 N PRO A 77 10.251 6.212 7.646 1.00 0.00 N ATOM 1167 CA PRO A 77 9.356 6.097 8.785 1.00 0.00 C ATOM 1168 C PRO A 77 7.991 6.715 8.474 1.00 0.00 C ATOM 1169 O PRO A 77 7.031 6.515 9.216 1.00 0.00 O ATOM 1170 CB PRO A 77 10.078 6.795 9.926 1.00 0.00 C ATOM 1171 CG PRO A 77 11.133 7.675 9.275 1.00 0.00 C ATOM 1172 CD PRO A 77 11.271 7.242 7.824 1.00 0.00 C ATOM 0 HA PRO A 77 9.137 5.061 9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.385 7.391 10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.535 6.071 10.600 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.844 8.724 9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.086 7.577 9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.112 8.079 7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.268 6.851 7.620 1.00 0.00 H new ATOM 1180 N ASP A 78 7.949 7.455 7.375 1.00 0.00 N ATOM 1181 CA ASP A 78 6.718 8.104 6.957 1.00 0.00 C ATOM 1182 C ASP A 78 5.913 7.144 6.080 1.00 0.00 C ATOM 1183 O ASP A 78 4.690 7.074 6.190 1.00 0.00 O ATOM 1184 CB ASP A 78 7.010 9.362 6.137 1.00 0.00 C ATOM 1185 CG ASP A 78 7.634 10.517 6.923 1.00 0.00 C ATOM 1186 OD1 ASP A 78 7.995 10.275 8.095 1.00 0.00 O ATOM 1187 OD2 ASP A 78 7.736 11.615 6.335 1.00 0.00 O ATOM 0 H ASP A 78 8.747 7.619 6.762 1.00 0.00 H new ATOM 0 HA ASP A 78 6.160 8.379 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.679 9.096 5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.079 9.709 5.688 1.00 0.00 H new ATOM 1192 N GLN A 79 6.632 6.428 5.227 1.00 0.00 N ATOM 1193 CA GLN A 79 6.000 5.474 4.332 1.00 0.00 C ATOM 1194 C GLN A 79 5.874 4.110 5.012 1.00 0.00 C ATOM 1195 O GLN A 79 5.102 3.260 4.568 1.00 0.00 O ATOM 1196 CB GLN A 79 6.773 5.362 3.016 1.00 0.00 C ATOM 1197 CG GLN A 79 6.913 6.730 2.344 1.00 0.00 C ATOM 1198 CD GLN A 79 8.205 6.810 1.528 1.00 0.00 C ATOM 1199 OE1 GLN A 79 9.123 7.549 1.843 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.225 6.010 0.466 1.00 0.00 N ATOM 0 H GLN A 79 7.646 6.490 5.137 1.00 0.00 H new ATOM 0 HA GLN A 79 4.998 5.834 4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.761 4.943 3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.258 4.674 2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.056 6.909 1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.908 7.514 3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.422 5.416 0.260 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.044 5.990 -0.142 1.00 0.00 H new ATOM 1209 N GLN A 80 6.643 3.942 6.077 1.00 0.00 N ATOM 1210 CA GLN A 80 6.627 2.695 6.823 1.00 0.00 C ATOM 1211 C GLN A 80 5.187 2.275 7.125 1.00 0.00 C ATOM 1212 O GLN A 80 4.811 1.127 6.898 1.00 0.00 O ATOM 1213 CB GLN A 80 7.445 2.815 8.110 1.00 0.00 C ATOM 1214 CG GLN A 80 8.830 2.188 7.940 1.00 0.00 C ATOM 1215 CD GLN A 80 9.816 2.749 8.967 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.499 2.939 10.130 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.025 3.002 8.475 1.00 0.00 N ATOM 0 H GLN A 80 7.282 4.649 6.442 1.00 0.00 H new ATOM 0 HA GLN A 80 7.089 1.922 6.209 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.548 3.865 8.383 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.917 2.324 8.928 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.759 1.106 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.199 2.381 6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.224 2.820 7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.754 3.378 9.081 1.00 0.00 H new ATOM 1226 N PRO A 81 4.401 3.255 7.647 1.00 0.00 N ATOM 1227 CA PRO A 81 3.011 2.999 7.983 1.00 0.00 C ATOM 1228 C PRO A 81 2.146 2.928 6.723 1.00 0.00 C ATOM 1229 O PRO A 81 1.085 2.307 6.728 1.00 0.00 O ATOM 1230 CB PRO A 81 2.615 4.135 8.912 1.00 0.00 C ATOM 1231 CG PRO A 81 3.646 5.230 8.694 1.00 0.00 C ATOM 1232 CD PRO A 81 4.813 4.626 7.930 1.00 0.00 C ATOM 0 HA PRO A 81 2.867 2.035 8.471 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.611 4.493 8.685 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.609 3.806 9.951 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.211 6.058 8.134 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.983 5.633 9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.012 5.177 7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.728 4.650 8.521 1.00 0.00 H new ATOM 1240 N TYR A 82 2.632 3.575 5.673 1.00 0.00 N ATOM 1241 CA TYR A 82 1.917 3.593 4.409 1.00 0.00 C ATOM 1242 C TYR A 82 2.054 2.254 3.682 1.00 0.00 C ATOM 1243 O TYR A 82 1.061 1.682 3.234 1.00 0.00 O ATOM 1244 CB TYR A 82 2.578 4.687 3.567 1.00 0.00 C ATOM 1245 CG TYR A 82 2.194 6.108 3.982 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.403 6.528 5.280 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.640 6.971 3.058 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.042 7.866 5.670 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.279 8.309 3.448 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.498 8.691 4.735 1.00 0.00 C ATOM 1251 OH TYR A 82 1.157 9.955 5.104 1.00 0.00 O ATOM 0 H TYR A 82 3.512 4.090 5.673 1.00 0.00 H new ATOM 0 HA TYR A 82 0.855 3.774 4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.661 4.580 3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.308 4.539 2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.837 5.853 6.003 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.477 6.642 2.042 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.200 8.207 6.682 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.844 8.994 2.735 1.00 0.00 H new ATOM 0 HH TYR A 82 1.884 10.570 4.874 1.00 0.00 H new ATOM 1261 N ILE A 83 3.292 1.792 3.587 1.00 0.00 N ATOM 1262 CA ILE A 83 3.572 0.531 2.922 1.00 0.00 C ATOM 1263 C ILE A 83 3.056 -0.622 3.786 1.00 0.00 C ATOM 1264 O ILE A 83 2.652 -1.660 3.266 1.00 0.00 O ATOM 1265 CB ILE A 83 5.059 0.424 2.578 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.314 -0.721 1.596 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.906 0.293 3.845 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.711 -0.412 0.225 1.00 0.00 C ATOM 0 H ILE A 83 4.113 2.269 3.960 1.00 0.00 H new ATOM 0 HA ILE A 83 3.044 0.478 1.970 1.00 0.00 H new ATOM 0 HB ILE A 83 5.362 1.346 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.387 -0.887 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.884 -1.643 1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.959 0.219 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.755 1.169 4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.608 -0.602 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.907 -1.242 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.635 -0.270 0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.161 0.497 -0.174 1.00 0.00 H new ATOM 1280 N THR A 84 3.088 -0.400 5.092 1.00 0.00 N ATOM 1281 CA THR A 84 2.629 -1.407 6.034 1.00 0.00 C ATOM 1282 C THR A 84 1.161 -1.749 5.774 1.00 0.00 C ATOM 1283 O THR A 84 0.807 -2.919 5.636 1.00 0.00 O ATOM 1284 CB THR A 84 2.891 -0.886 7.448 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.275 -1.146 7.663 1.00 0.00 O ATOM 1286 CG2 THR A 84 2.185 -1.720 8.519 1.00 0.00 C ATOM 0 H THR A 84 3.425 0.462 5.520 1.00 0.00 H new ATOM 0 HA THR A 84 3.175 -2.342 5.911 1.00 0.00 H new ATOM 0 HB THR A 84 2.562 0.151 7.519 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.812 -0.531 7.120 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.404 -1.308 9.504 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.109 -1.697 8.347 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.539 -2.750 8.470 1.00 0.00 H new ATOM 1294 N VAL A 85 0.344 -0.707 5.716 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.078 -0.883 5.476 1.00 0.00 C ATOM 1296 C VAL A 85 -1.278 -1.686 4.189 1.00 0.00 C ATOM 1297 O VAL A 85 -2.104 -2.596 4.144 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.775 0.479 5.446 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.161 0.370 4.807 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.865 1.080 6.850 1.00 0.00 C ATOM 0 H VAL A 85 0.640 0.262 5.831 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.536 -1.450 6.287 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.174 1.150 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.636 1.351 4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.063 0.005 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.774 -0.324 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.364 2.048 6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.433 0.411 7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.861 1.210 7.255 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.508 -1.319 3.175 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.591 -1.994 1.891 1.00 0.00 C ATOM 1312 C TRP A 86 -0.464 -3.498 2.139 1.00 0.00 C ATOM 1313 O TRP A 86 -1.265 -4.284 1.634 1.00 0.00 O ATOM 1314 CB TRP A 86 0.464 -1.457 0.921 1.00 0.00 C ATOM 1315 CG TRP A 86 -0.035 -0.320 0.027 1.00 0.00 C ATOM 1316 CD1 TRP A 86 -0.175 0.975 0.341 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.456 -0.429 -1.349 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.653 1.706 -0.728 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.830 0.824 -1.788 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.520 -1.551 -2.195 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.293 1.076 -3.085 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -0.985 -1.283 -3.488 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.365 -0.026 -3.945 1.00 0.00 C ATOM 0 H TRP A 86 0.176 -0.563 3.217 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.552 -1.800 1.414 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.323 -1.106 1.493 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.813 -2.275 0.291 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.057 1.394 1.309 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.842 2.708 -0.738 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.233 -2.541 -1.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.579 2.067 -3.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.053 -2.110 -4.179 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.714 0.100 -4.959 1.00 0.00 H new ATOM 1334 N GLN A 87 0.548 -3.855 2.916 1.00 0.00 N ATOM 1335 CA GLN A 87 0.789 -5.252 3.236 1.00 0.00 C ATOM 1336 C GLN A 87 -0.465 -5.881 3.847 1.00 0.00 C ATOM 1337 O GLN A 87 -0.720 -7.070 3.663 1.00 0.00 O ATOM 1338 CB GLN A 87 1.988 -5.399 4.175 1.00 0.00 C ATOM 1339 CG GLN A 87 2.265 -6.872 4.483 1.00 0.00 C ATOM 1340 CD GLN A 87 2.692 -7.057 5.941 1.00 0.00 C ATOM 1341 OE1 GLN A 87 2.031 -6.619 6.868 1.00 0.00 O ATOM 1342 NE2 GLN A 87 3.831 -7.727 6.091 1.00 0.00 N ATOM 0 H GLN A 87 1.210 -3.201 3.333 1.00 0.00 H new ATOM 0 HA GLN A 87 1.024 -5.781 2.312 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.869 -4.947 3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.797 -4.859 5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.371 -7.463 4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.047 -7.245 3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.335 -8.066 5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.201 -7.902 7.025 1.00 0.00 H new ATOM 1351 N ASP A 88 -1.216 -5.054 4.560 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.437 -5.515 5.198 1.00 0.00 C ATOM 1353 C ASP A 88 -3.488 -5.808 4.126 1.00 0.00 C ATOM 1354 O ASP A 88 -4.217 -6.794 4.220 1.00 0.00 O ATOM 1355 CB ASP A 88 -3.004 -4.448 6.137 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.795 -4.989 7.329 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -4.151 -6.186 7.278 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -4.026 -4.194 8.266 1.00 0.00 O ATOM 0 H ASP A 88 -1.002 -4.068 4.710 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.201 -6.411 5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.180 -3.841 6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.651 -3.786 5.561 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.533 -4.934 3.132 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.483 -5.087 2.043 1.00 0.00 C ATOM 1365 C LEU A 89 -4.319 -6.475 1.420 1.00 0.00 C ATOM 1366 O LEU A 89 -5.306 -7.141 1.110 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.337 -3.941 1.039 1.00 0.00 C ATOM 1368 CG LEU A 89 -5.121 -2.667 1.357 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -6.473 -2.999 1.991 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -4.296 -1.719 2.230 1.00 0.00 C ATOM 0 H LEU A 89 -2.927 -4.117 3.058 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.505 -5.024 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.281 -3.684 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.650 -4.301 0.059 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.324 -2.148 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.010 -2.075 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.059 -3.607 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.315 -3.552 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.877 -0.821 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.042 -2.215 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.381 -1.444 1.705 1.00 0.00 H new ATOM 1382 N VAL A 90 -3.065 -6.870 1.255 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.759 -8.166 0.675 1.00 0.00 C ATOM 1384 C VAL A 90 -3.181 -9.268 1.648 1.00 0.00 C ATOM 1385 O VAL A 90 -3.945 -10.162 1.286 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.277 -8.235 0.300 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.911 -9.621 -0.235 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.916 -7.145 -0.710 1.00 0.00 C ATOM 0 H VAL A 90 -2.249 -6.315 1.513 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.321 -8.314 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.694 -8.060 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.148 -9.643 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.113 -10.371 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.506 -9.837 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.143 -7.216 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.511 -7.275 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.122 -6.166 -0.278 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.666 -9.168 2.865 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.981 -10.146 3.893 1.00 0.00 C ATOM 1400 C GLN A 91 -4.491 -10.382 3.956 1.00 0.00 C ATOM 1401 O GLN A 91 -4.971 -11.453 3.588 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.437 -9.704 5.253 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.939 -9.992 5.365 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.690 -11.418 5.861 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -1.589 -12.238 5.949 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.577 -11.666 6.179 1.00 0.00 N ATOM 0 H GLN A 91 -2.033 -8.425 3.162 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.497 -11.088 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.617 -8.638 5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.971 -10.224 6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.465 -9.853 4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.478 -9.280 6.049 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.280 -10.933 6.081 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.846 -12.589 6.520 1.00 0.00 H new ATOM 1415 N ASN A 92 -5.198 -9.365 4.426 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.644 -9.449 4.542 1.00 0.00 C ATOM 1417 C ASN A 92 -7.287 -8.905 3.265 1.00 0.00 C ATOM 1418 O ASN A 92 -7.790 -7.783 3.248 1.00 0.00 O ATOM 1419 CB ASN A 92 -7.151 -8.613 5.719 1.00 0.00 C ATOM 1420 CG ASN A 92 -7.255 -9.461 6.989 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -8.300 -9.992 7.328 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -6.117 -9.557 7.670 1.00 0.00 N ATOM 0 H ASN A 92 -4.796 -8.478 4.731 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.909 -10.494 4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.476 -7.774 5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.127 -8.192 5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.083 -10.101 8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.278 -9.087 7.330 1.00 0.00 H new ATOM 1429 N SER A 93 -7.248 -9.727 2.225 1.00 0.00 N ATOM 1430 CA SER A 93 -7.820 -9.342 0.946 1.00 0.00 C ATOM 1431 C SER A 93 -9.272 -8.898 1.135 1.00 0.00 C ATOM 1432 O SER A 93 -10.129 -9.703 1.497 1.00 0.00 O ATOM 1433 CB SER A 93 -7.743 -10.492 -0.059 1.00 0.00 C ATOM 1434 OG SER A 93 -8.852 -11.379 0.058 1.00 0.00 O ATOM 0 H SER A 93 -6.829 -10.657 2.243 1.00 0.00 H new ATOM 0 HA SER A 93 -7.241 -8.508 0.549 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.708 -10.088 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.817 -11.047 0.095 1.00 0.00 H new ATOM 0 HG SER A 93 -9.358 -11.164 0.869 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.510 -7.585 0.875 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.844 -7.024 1.012 1.00 0.00 C ATOM 1442 C PRO A 94 -11.741 -7.453 -0.151 1.00 0.00 C ATOM 1443 O PRO A 94 -11.253 -7.944 -1.168 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.633 -5.520 1.077 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.246 -5.268 0.509 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.520 -6.602 0.444 1.00 0.00 C ATOM 0 HA PRO A 94 -11.361 -7.379 1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.393 -4.994 0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.706 -5.159 2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.315 -4.822 -0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.698 -4.565 1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.167 -6.812 -0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.646 -6.609 1.095 1.00 0.00 H new ATOM 1454 N PRO A 95 -13.071 -7.246 0.043 1.00 0.00 N ATOM 1455 CA PRO A 95 -14.041 -7.606 -0.977 1.00 0.00 C ATOM 1456 C PRO A 95 -14.018 -6.603 -2.133 1.00 0.00 C ATOM 1457 O PRO A 95 -14.413 -6.930 -3.251 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.377 -7.648 -0.253 1.00 0.00 C ATOM 1459 CG PRO A 95 -15.179 -6.862 1.033 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.685 -6.667 1.235 1.00 0.00 C ATOM 0 HA PRO A 95 -13.825 -8.568 -1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.166 -7.207 -0.863 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.674 -8.675 -0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.685 -5.898 0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.612 -7.397 1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.434 -5.611 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.339 -7.166 2.140 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.552 -5.402 -1.823 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.473 -4.349 -2.821 1.00 0.00 C ATOM 1470 C TRP A 96 -12.210 -4.580 -3.652 1.00 0.00 C ATOM 1471 O TRP A 96 -12.000 -3.918 -4.667 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.514 -2.968 -2.166 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.653 -2.851 -0.906 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.985 -3.169 0.352 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.295 -2.368 -0.835 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.945 -2.927 1.227 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.884 -2.424 0.482 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.441 -1.898 -1.849 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.611 -2.026 0.905 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.172 -1.505 -1.409 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.743 -1.555 -0.088 1.00 0.00 C ATOM 0 H TRP A 96 -13.225 -5.135 -0.894 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.337 -4.381 -3.485 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.183 -2.224 -2.890 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.546 -2.728 -1.912 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.946 -3.565 0.645 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.953 -3.088 2.234 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.741 -1.845 -2.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.314 -2.079 1.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.477 -1.137 -2.149 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.746 -1.232 0.171 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.400 -5.522 -3.191 1.00 0.00 N ATOM 1493 CA ILE A 97 -10.163 -5.849 -3.879 1.00 0.00 C ATOM 1494 C ILE A 97 -10.342 -7.159 -4.648 1.00 0.00 C ATOM 1495 O ILE A 97 -10.252 -7.180 -5.875 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.992 -5.869 -2.894 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.397 -4.470 -2.721 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.936 -6.892 -3.319 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.136 -4.514 -1.855 1.00 0.00 C ATOM 0 H ILE A 97 -11.577 -6.069 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.920 -5.080 -4.612 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.370 -6.181 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.157 -4.049 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.135 -3.811 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.115 -6.886 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.384 -7.885 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.557 -6.634 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.733 -3.507 -1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.384 -4.912 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.392 -5.154 -2.328 1.00 0.00 H new ATOM 1511 N LYS A 98 -10.593 -8.220 -3.896 1.00 0.00 N ATOM 1512 CA LYS A 98 -10.787 -9.531 -4.492 1.00 0.00 C ATOM 1513 C LYS A 98 -12.122 -10.110 -4.019 1.00 0.00 C ATOM 1514 O LYS A 98 -12.316 -10.337 -2.826 1.00 0.00 O ATOM 1515 CB LYS A 98 -9.587 -10.434 -4.200 1.00 0.00 C ATOM 1516 CG LYS A 98 -8.422 -10.120 -5.140 1.00 0.00 C ATOM 1517 CD LYS A 98 -7.909 -11.391 -5.821 1.00 0.00 C ATOM 1518 CE LYS A 98 -6.909 -11.054 -6.929 1.00 0.00 C ATOM 1519 NZ LYS A 98 -6.103 -12.245 -7.280 1.00 0.00 N ATOM 0 H LYS A 98 -10.667 -8.199 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 98 -10.841 -9.452 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.270 -10.300 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.878 -11.479 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.743 -9.403 -5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.613 -9.652 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.435 -12.037 -5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.748 -11.947 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.441 -10.695 -7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.253 -10.247 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.430 -11.999 -8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.581 -12.570 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.732 -13.004 -7.612 1.00 0.00 H new ATOM 1533 N SER A 99 -13.007 -10.331 -4.980 1.00 0.00 N ATOM 1534 CA SER A 99 -14.319 -10.879 -4.677 1.00 0.00 C ATOM 1535 C SER A 99 -14.738 -11.867 -5.767 1.00 0.00 C ATOM 1536 O SER A 99 -14.471 -11.645 -6.947 1.00 0.00 O ATOM 1537 CB SER A 99 -15.361 -9.768 -4.539 1.00 0.00 C ATOM 1538 OG SER A 99 -16.582 -10.248 -3.982 1.00 0.00 O ATOM 0 H SER A 99 -12.842 -10.141 -5.968 1.00 0.00 H new ATOM 0 HA SER A 99 -14.258 -11.404 -3.724 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.962 -8.973 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 99 -15.556 -9.330 -5.518 1.00 0.00 H new ATOM 0 HG SER A 99 -17.221 -9.509 -3.908 1.00 0.00 H new ATOM 1544 N GLY A 100 -15.387 -12.938 -5.333 1.00 0.00 N ATOM 1545 CA GLY A 100 -15.845 -13.961 -6.257 1.00 0.00 C ATOM 1546 C GLY A 100 -15.643 -15.360 -5.672 1.00 0.00 C ATOM 1547 O GLY A 100 -16.549 -15.914 -5.052 1.00 0.00 O ATOM 0 H GLY A 100 -15.606 -13.119 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -16.900 -13.806 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -15.302 -13.875 -7.198 1.00 0.00 H new ATOM 1551 N PRO A 101 -14.417 -15.904 -5.894 1.00 0.00 N ATOM 1552 CA PRO A 101 -14.084 -17.228 -5.395 1.00 0.00 C ATOM 1553 C PRO A 101 -13.835 -17.198 -3.886 1.00 0.00 C ATOM 1554 O PRO A 101 -12.799 -16.714 -3.433 1.00 0.00 O ATOM 1555 CB PRO A 101 -12.860 -17.652 -6.191 1.00 0.00 C ATOM 1556 CG PRO A 101 -12.277 -16.373 -6.771 1.00 0.00 C ATOM 1557 CD PRO A 101 -13.319 -15.277 -6.624 1.00 0.00 C ATOM 0 HA PRO A 101 -14.895 -17.944 -5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.135 -18.158 -5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.131 -18.351 -6.982 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.360 -16.100 -6.249 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.016 -16.514 -7.820 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.919 -14.421 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -13.648 -14.911 -7.596 1.00 0.00 H new ATOM 1565 N SER A 102 -14.803 -17.723 -3.149 1.00 0.00 N ATOM 1566 CA SER A 102 -14.702 -17.763 -1.700 1.00 0.00 C ATOM 1567 C SER A 102 -15.918 -18.481 -1.110 1.00 0.00 C ATOM 1568 O SER A 102 -17.041 -17.989 -1.208 1.00 0.00 O ATOM 1569 CB SER A 102 -14.584 -16.353 -1.117 1.00 0.00 C ATOM 1570 OG SER A 102 -15.824 -15.652 -1.159 1.00 0.00 O ATOM 0 H SER A 102 -15.661 -18.124 -3.528 1.00 0.00 H new ATOM 0 HA SER A 102 -13.799 -18.313 -1.435 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.238 -16.415 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.832 -15.793 -1.673 1.00 0.00 H new ATOM 0 HG SER A 102 -16.552 -16.285 -1.333 1.00 0.00 H new ATOM 1576 N SER A 103 -15.652 -19.632 -0.511 1.00 0.00 N ATOM 1577 CA SER A 103 -16.710 -20.423 0.094 1.00 0.00 C ATOM 1578 C SER A 103 -16.284 -20.887 1.489 1.00 0.00 C ATOM 1579 O SER A 103 -15.474 -21.803 1.622 1.00 0.00 O ATOM 1580 CB SER A 103 -17.067 -21.627 -0.780 1.00 0.00 C ATOM 1581 OG SER A 103 -18.219 -22.314 -0.298 1.00 0.00 O ATOM 0 H SER A 103 -14.719 -20.036 -0.432 1.00 0.00 H new ATOM 0 HA SER A 103 -17.598 -19.797 0.182 1.00 0.00 H new ATOM 0 HB2 SER A 103 -17.245 -21.293 -1.802 1.00 0.00 H new ATOM 0 HB3 SER A 103 -16.222 -22.315 -0.812 1.00 0.00 H new ATOM 0 HG SER A 103 -18.415 -23.075 -0.884 1.00 0.00 H new ATOM 1587 N GLY A 104 -16.849 -20.233 2.493 1.00 0.00 N ATOM 1588 CA GLY A 104 -16.538 -20.567 3.873 1.00 0.00 C ATOM 1589 C GLY A 104 -16.421 -22.081 4.057 1.00 0.00 C ATOM 1590 O GLY A 104 -15.318 -22.626 4.067 1.00 0.00 O ATOM 0 H GLY A 104 -17.520 -19.474 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -15.603 -20.088 4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -17.315 -20.176 4.530 1.00 0.00 H new TER 1594 GLY A 104