USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1000 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 62 TYR OH : rot 123:sc= 0.944 USER MOD Set 1.2: A 83 SER OG : rot 82:sc= 0.736 USER MOD Set 2.1: A 80 THR OG1 : rot -140:sc= 0 USER MOD Set 2.2: A 86 SER OG : rot 180:sc= -0.0885 USER MOD Set 3.1: A 28 THR OG1 : rot -16:sc= 0.711 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 43 THR OG1 : rot -24:sc= -1.55! USER MOD Set 4.2: A 57 ASN : amide:sc= -0.0707 K(o=-1.6,f=-2.7) USER MOD Set 5.1: A 40 SER OG : rot -52:sc= 0.434 USER MOD Set 5.2: A 41 HIS : no HD1:sc= -5.65! C(o=-5.2!,f=-14!) USER MOD Set 5.3: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 17 THR OG1 : rot 34:sc= 0.226 USER MOD Set 6.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 0 MET N :NH3+ -127:sc= 0.0527 (180deg=-0.284) USER MOD Set 7.2: A 25 THR OG1 : rot 180:sc= 0.0616 USER MOD Single : A 0 MET CE :methyl -159:sc= -0.128 (180deg=-0.706) USER MOD Single : A 1 ASN :FLIP amide:sc= -2.24 F(o=-8.6!,f=-2.2) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= -0.551 (180deg=-0.709) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -0.0503 (180deg=-0.252) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.422 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 38:sc= 0.557 USER MOD Single : A 44 GLN : amide:sc= 0.721 K(o=0.72,f=-0.43) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 49 ASN :FLIP amide:sc= -12.1! C(o=-13!,f=-12!) USER MOD Single : A 50 SER OG : rot -54:sc= 0.37 USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00022 USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= -0.64 (180deg=-1.7!) USER MOD Single : A 67 HIS : no HE2:sc= -2.18! C(o=-2.2!,f=-7!) USER MOD Single : A 73 ASN : amide:sc= -0.0776 X(o=-0.078,f=-0.51) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0148 F(o=-1.4!,f=-0.015) USER MOD Single : A 79 LYS NZ :NH3+ -126:sc= -2.63! (180deg=-9.21!) USER MOD Single : A 87 GLN :FLIP amide:sc= -1.52 F(o=-3.6!,f=-1.5) USER MOD Single : A 91 SER OG : rot -70:sc= -0.237 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -102:sc= 0.65 USER MOD Single : A 109 GLN : amide:sc=-0.000573 K(o=-0.00057,f=-0.54) USER MOD Single : A 116 SER OG : rot 95:sc= 0.434 USER MOD Single : A 117 HIS : no HD1:sc= -0.258 X(o=-0.26,f=0.0048) USER MOD Single : A 121 GLN :FLIP amide:sc= -0.211 F(o=-2!,f=-0.21) USER MOD Single : A 127 HIS : no HE2:sc= -2.87! C(o=-2.9!,f=-5.1!) USER MOD Single : A 128 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 32.752 -4.602 0.111 1.00 0.00 N ATOM 2 CA MET A 0 32.893 -3.592 -0.968 1.00 0.00 C ATOM 3 C MET A 0 31.654 -2.708 -1.052 1.00 0.00 C ATOM 4 O MET A 0 30.726 -2.845 -0.254 1.00 0.00 O ATOM 5 CB MET A 0 33.126 -4.286 -2.312 1.00 0.00 C ATOM 6 CG MET A 0 34.399 -5.116 -2.355 1.00 0.00 C ATOM 7 SD MET A 0 35.888 -4.115 -2.190 1.00 0.00 S ATOM 8 CE MET A 0 35.768 -3.085 -3.651 1.00 0.00 C ATOM 0 H1 MET A 0 33.576 -4.551 0.744 1.00 0.00 H new ATOM 0 H2 MET A 0 31.886 -4.411 0.654 1.00 0.00 H new ATOM 0 H3 MET A 0 32.695 -5.552 -0.308 1.00 0.00 H new ATOM 0 HA MET A 0 33.751 -2.963 -0.733 1.00 0.00 H new ATOM 0 HB2 MET A 0 32.275 -4.930 -2.531 1.00 0.00 H new ATOM 0 HB3 MET A 0 33.167 -3.532 -3.098 1.00 0.00 H new ATOM 0 HG2 MET A 0 34.373 -5.856 -1.555 1.00 0.00 H new ATOM 0 HG3 MET A 0 34.438 -5.665 -3.296 1.00 0.00 H new ATOM 0 HE1 MET A 0 36.753 -2.690 -3.900 1.00 0.00 H new ATOM 0 HE2 MET A 0 35.394 -3.679 -4.485 1.00 0.00 H new ATOM 0 HE3 MET A 0 35.084 -2.259 -3.458 1.00 0.00 H new ATOM 20 N ASN A 1 31.645 -1.801 -2.024 1.00 0.00 N ATOM 21 CA ASN A 1 30.521 -0.893 -2.214 1.00 0.00 C ATOM 22 C ASN A 1 29.494 -1.479 -3.178 1.00 0.00 C ATOM 23 O ASN A 1 29.827 -2.305 -4.029 1.00 0.00 O ATOM 24 CB ASN A 1 31.013 0.460 -2.731 1.00 0.00 C ATOM 25 CG ASN A 1 31.492 1.359 -1.608 1.00 0.00 C ATOM 26 OD1 ASN A 1 30.567 2.114 -1.031 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 32.674 1.370 -1.264 1.00 0.00 N flip ATOM 0 H ASN A 1 32.405 -1.676 -2.693 1.00 0.00 H new ATOM 0 HA ASN A 1 30.038 -0.752 -1.247 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.825 0.303 -3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.207 0.955 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.349 0.771 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 1 32.978 1.979 -0.504 1.00 0.00 H new ATOM 34 N CYS A 2 28.245 -1.046 -3.036 1.00 0.00 N ATOM 35 CA CYS A 2 27.164 -1.527 -3.890 1.00 0.00 C ATOM 36 C CYS A 2 26.829 -0.516 -4.979 1.00 0.00 C ATOM 37 O CYS A 2 27.297 0.622 -4.949 1.00 0.00 O ATOM 38 CB CYS A 2 25.917 -1.825 -3.056 1.00 0.00 C ATOM 39 SG CYS A 2 26.079 -3.283 -1.976 1.00 0.00 S ATOM 0 H CYS A 2 27.956 -0.362 -2.337 1.00 0.00 H new ATOM 0 HA CYS A 2 27.503 -2.446 -4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 2 25.687 -0.954 -2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.071 -1.975 -3.727 1.00 0.00 H new ATOM 44 N GLY A 3 26.017 -0.941 -5.941 1.00 0.00 N ATOM 45 CA GLY A 3 25.610 -0.050 -7.010 1.00 0.00 C ATOM 46 C GLY A 3 24.625 0.996 -6.518 1.00 0.00 C ATOM 47 O GLY A 3 23.883 0.741 -5.570 1.00 0.00 O ATOM 0 H GLY A 3 25.634 -1.885 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 3 26.488 0.443 -7.428 1.00 0.00 H new ATOM 0 HA3 GLY A 3 25.156 -0.629 -7.815 1.00 0.00 H new ATOM 51 N PRO A 4 24.597 2.188 -7.139 1.00 0.00 N ATOM 52 CA PRO A 4 23.687 3.269 -6.742 1.00 0.00 C ATOM 53 C PRO A 4 22.273 2.772 -6.442 1.00 0.00 C ATOM 54 O PRO A 4 21.745 1.911 -7.146 1.00 0.00 O ATOM 55 CB PRO A 4 23.704 4.183 -7.963 1.00 0.00 C ATOM 56 CG PRO A 4 25.086 4.030 -8.497 1.00 0.00 C ATOM 57 CD PRO A 4 25.448 2.583 -8.280 1.00 0.00 C ATOM 0 HA PRO A 4 23.997 3.757 -5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 4 22.955 3.885 -8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 4 23.491 5.217 -7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 4 25.128 4.290 -9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 4 25.782 4.690 -7.979 1.00 0.00 H new ATOM 0 HD2 PRO A 4 25.241 1.980 -9.164 1.00 0.00 H new ATOM 0 HD3 PRO A 4 26.507 2.463 -8.053 1.00 0.00 H new ATOM 65 N PRO A 5 21.646 3.315 -5.381 1.00 0.00 N ATOM 66 CA PRO A 5 20.293 2.923 -4.964 1.00 0.00 C ATOM 67 C PRO A 5 19.271 2.978 -6.097 1.00 0.00 C ATOM 68 O PRO A 5 19.215 3.951 -6.851 1.00 0.00 O ATOM 69 CB PRO A 5 19.944 3.949 -3.884 1.00 0.00 C ATOM 70 CG PRO A 5 21.258 4.382 -3.338 1.00 0.00 C ATOM 71 CD PRO A 5 22.208 4.359 -4.503 1.00 0.00 C ATOM 0 HA PRO A 5 20.268 1.888 -4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.391 4.791 -4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.318 3.510 -3.108 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.193 5.380 -2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.593 3.712 -2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 5 22.252 5.326 -5.005 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.223 4.116 -4.189 1.00 0.00 H new ATOM 79 N PRO A 6 18.448 1.922 -6.226 1.00 0.00 N ATOM 80 CA PRO A 6 17.409 1.828 -7.250 1.00 0.00 C ATOM 81 C PRO A 6 16.135 2.550 -6.826 1.00 0.00 C ATOM 82 O PRO A 6 16.068 3.192 -5.777 1.00 0.00 O ATOM 83 CB PRO A 6 17.138 0.317 -7.354 1.00 0.00 C ATOM 84 CG PRO A 6 18.042 -0.344 -6.357 1.00 0.00 C ATOM 85 CD PRO A 6 18.467 0.720 -5.391 1.00 0.00 C ATOM 0 HA PRO A 6 17.719 2.286 -8.189 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.093 0.094 -7.139 1.00 0.00 H new ATOM 0 HB3 PRO A 6 17.340 -0.046 -8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.524 -1.152 -5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 6 18.907 -0.786 -6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.782 0.800 -4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 6 19.458 0.525 -4.981 1.00 0.00 H new ATOM 93 N THR A 7 15.129 2.417 -7.687 1.00 0.00 N ATOM 94 CA THR A 7 13.821 3.013 -7.455 1.00 0.00 C ATOM 95 C THR A 7 12.893 1.966 -6.852 1.00 0.00 C ATOM 96 O THR A 7 12.801 0.849 -7.363 1.00 0.00 O ATOM 97 CB THR A 7 13.201 3.562 -8.755 1.00 0.00 C ATOM 98 OG1 THR A 7 14.096 4.496 -9.368 1.00 0.00 O ATOM 99 CG2 THR A 7 11.869 4.241 -8.473 1.00 0.00 C ATOM 0 H THR A 7 15.199 1.895 -8.561 1.00 0.00 H new ATOM 0 HA THR A 7 13.949 3.850 -6.769 1.00 0.00 H new ATOM 0 HB THR A 7 13.030 2.725 -9.432 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.696 4.839 -10.194 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.450 4.621 -9.405 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.180 3.521 -8.032 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.022 5.068 -7.780 1.00 0.00 H new ATOM 107 N LEU A 8 12.207 2.317 -5.774 1.00 0.00 N ATOM 108 CA LEU A 8 11.304 1.378 -5.126 1.00 0.00 C ATOM 109 C LEU A 8 9.877 1.917 -5.051 1.00 0.00 C ATOM 110 O LEU A 8 9.550 2.944 -5.646 1.00 0.00 O ATOM 111 CB LEU A 8 11.818 1.057 -3.722 1.00 0.00 C ATOM 112 CG LEU A 8 13.301 0.683 -3.655 1.00 0.00 C ATOM 113 CD1 LEU A 8 14.171 1.931 -3.645 1.00 0.00 C ATOM 114 CD2 LEU A 8 13.583 -0.168 -2.428 1.00 0.00 C ATOM 0 H LEU A 8 12.257 3.236 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 8 11.278 0.469 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.646 1.921 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.231 0.234 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 8 13.545 0.101 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.221 1.642 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.994 2.505 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.922 2.541 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.642 -0.424 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.319 0.390 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.990 -1.082 -2.475 1.00 0.00 H new ATOM 126 N SER A 9 9.040 1.202 -4.308 1.00 0.00 N ATOM 127 CA SER A 9 7.644 1.589 -4.138 1.00 0.00 C ATOM 128 C SER A 9 7.237 1.543 -2.672 1.00 0.00 C ATOM 129 O SER A 9 6.672 2.502 -2.145 1.00 0.00 O ATOM 130 CB SER A 9 6.735 0.672 -4.959 1.00 0.00 C ATOM 131 OG SER A 9 7.017 0.780 -6.344 1.00 0.00 O ATOM 0 H SER A 9 9.304 0.350 -3.813 1.00 0.00 H new ATOM 0 HA SER A 9 7.534 2.614 -4.493 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.869 -0.361 -4.637 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.692 0.930 -4.776 1.00 0.00 H new ATOM 0 HG SER A 9 6.424 0.183 -6.846 1.00 0.00 H new ATOM 137 N PHE A 10 7.522 0.422 -2.017 1.00 0.00 N ATOM 138 CA PHE A 10 7.184 0.256 -0.609 1.00 0.00 C ATOM 139 C PHE A 10 7.828 1.345 0.241 1.00 0.00 C ATOM 140 O PHE A 10 7.408 1.589 1.371 1.00 0.00 O ATOM 141 CB PHE A 10 7.604 -1.125 -0.100 1.00 0.00 C ATOM 142 CG PHE A 10 8.778 -1.722 -0.825 1.00 0.00 C ATOM 143 CD1 PHE A 10 8.588 -2.507 -1.952 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.069 -1.502 -0.377 1.00 0.00 C ATOM 145 CE1 PHE A 10 9.666 -3.061 -2.618 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.150 -2.053 -1.038 1.00 0.00 C ATOM 147 CZ PHE A 10 10.948 -2.833 -2.160 1.00 0.00 C ATOM 0 H PHE A 10 7.985 -0.383 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 10 6.101 0.342 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.847 -1.050 0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.756 -1.804 -0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.587 -2.688 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.233 -0.893 0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.505 -3.671 -3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.152 -1.874 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.792 -3.264 -2.678 1.00 0.00 H new ATOM 157 N ALA A 11 8.849 1.998 -0.307 1.00 0.00 N ATOM 158 CA ALA A 11 9.522 3.068 0.420 1.00 0.00 C ATOM 159 C ALA A 11 10.167 4.085 -0.515 1.00 0.00 C ATOM 160 O ALA A 11 10.508 3.799 -1.663 1.00 0.00 O ATOM 161 CB ALA A 11 10.566 2.483 1.358 1.00 0.00 C ATOM 0 H ALA A 11 9.223 1.809 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 11 8.764 3.596 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.064 3.289 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.082 1.815 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.302 1.924 0.780 1.00 0.00 H new ATOM 167 N ALA A 12 10.317 5.284 0.038 1.00 0.00 N ATOM 168 CA ALA A 12 10.974 6.384 -0.660 1.00 0.00 C ATOM 169 C ALA A 12 12.073 6.986 0.218 1.00 0.00 C ATOM 170 O ALA A 12 11.939 7.020 1.440 1.00 0.00 O ATOM 171 CB ALA A 12 9.959 7.449 -1.048 1.00 0.00 C ATOM 0 H ALA A 12 9.990 5.520 0.975 1.00 0.00 H new ATOM 0 HA ALA A 12 11.430 5.996 -1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.466 8.262 -1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.206 7.012 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.477 7.836 -0.150 1.00 0.00 H new ATOM 177 N PRO A 13 13.175 7.469 -0.386 1.00 0.00 N ATOM 178 CA PRO A 13 14.292 8.062 0.365 1.00 0.00 C ATOM 179 C PRO A 13 13.820 9.103 1.377 1.00 0.00 C ATOM 180 O PRO A 13 12.846 9.816 1.139 1.00 0.00 O ATOM 181 CB PRO A 13 15.138 8.722 -0.724 1.00 0.00 C ATOM 182 CG PRO A 13 14.846 7.943 -1.960 1.00 0.00 C ATOM 183 CD PRO A 13 13.417 7.485 -1.841 1.00 0.00 C ATOM 0 HA PRO A 13 14.831 7.318 0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.874 9.772 -0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.199 8.687 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.985 8.558 -2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.521 7.092 -2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.735 8.164 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.275 6.498 -2.281 1.00 0.00 H new ATOM 191 N MET A 14 14.521 9.186 2.510 1.00 0.00 N ATOM 192 CA MET A 14 14.158 10.145 3.551 1.00 0.00 C ATOM 193 C MET A 14 15.358 10.530 4.411 1.00 0.00 C ATOM 194 O MET A 14 15.293 11.480 5.193 1.00 0.00 O ATOM 195 CB MET A 14 13.058 9.562 4.439 1.00 0.00 C ATOM 196 CG MET A 14 12.452 10.569 5.405 1.00 0.00 C ATOM 197 SD MET A 14 11.306 9.808 6.571 1.00 0.00 S ATOM 198 CE MET A 14 10.694 11.249 7.439 1.00 0.00 C ATOM 0 H MET A 14 15.333 8.608 2.727 1.00 0.00 H new ATOM 0 HA MET A 14 13.796 11.046 3.055 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.268 9.159 3.806 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.467 8.727 5.008 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.251 11.064 5.957 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.930 11.341 4.839 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.973 10.939 8.195 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.525 11.764 7.920 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.211 11.922 6.731 1.00 0.00 H new ATOM 208 N ASP A 15 16.452 9.794 4.261 1.00 0.00 N ATOM 209 CA ASP A 15 17.661 10.062 5.031 1.00 0.00 C ATOM 210 C ASP A 15 18.887 9.493 4.327 1.00 0.00 C ATOM 211 O ASP A 15 19.387 8.428 4.691 1.00 0.00 O ATOM 212 CB ASP A 15 17.541 9.468 6.433 1.00 0.00 C ATOM 213 CG ASP A 15 18.676 9.893 7.344 1.00 0.00 C ATOM 214 OD1 ASP A 15 19.721 9.208 7.350 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.520 10.909 8.054 1.00 0.00 O ATOM 0 H ASP A 15 16.528 9.008 3.615 1.00 0.00 H new ATOM 0 HA ASP A 15 17.779 11.142 5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.592 9.774 6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.524 8.380 6.363 1.00 0.00 H new ATOM 220 N ILE A 16 19.357 10.209 3.312 1.00 0.00 N ATOM 221 CA ILE A 16 20.516 9.785 2.549 1.00 0.00 C ATOM 222 C ILE A 16 20.908 10.826 1.514 1.00 0.00 C ATOM 223 O ILE A 16 20.336 10.875 0.427 1.00 0.00 O ATOM 224 CB ILE A 16 20.250 8.451 1.832 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.376 8.133 0.845 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.901 8.480 1.128 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.244 6.776 0.185 1.00 0.00 C ATOM 0 H ILE A 16 18.948 11.090 3.000 1.00 0.00 H new ATOM 0 HA ILE A 16 21.333 9.659 3.260 1.00 0.00 H new ATOM 0 HB ILE A 16 20.224 7.659 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.398 8.902 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.330 8.181 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.732 7.527 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.112 8.650 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.892 9.284 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.078 6.622 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.253 5.998 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.306 6.730 -0.368 1.00 0.00 H new ATOM 239 N THR A 17 21.864 11.676 1.859 1.00 0.00 N ATOM 240 CA THR A 17 22.331 12.677 0.918 1.00 0.00 C ATOM 241 C THR A 17 22.731 11.992 -0.377 1.00 0.00 C ATOM 242 O THR A 17 23.648 11.169 -0.394 1.00 0.00 O ATOM 243 CB THR A 17 23.531 13.471 1.461 1.00 0.00 C ATOM 244 OG1 THR A 17 24.516 12.574 1.987 1.00 0.00 O ATOM 245 CG2 THR A 17 23.092 14.449 2.540 1.00 0.00 C ATOM 0 H THR A 17 22.324 11.692 2.769 1.00 0.00 H new ATOM 0 HA THR A 17 21.517 13.382 0.750 1.00 0.00 H new ATOM 0 HB THR A 17 23.965 14.039 0.638 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.522 11.749 1.459 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.959 14.998 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.368 15.150 2.123 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.634 13.901 3.363 1.00 0.00 H new ATOM 253 N LEU A 18 22.038 12.320 -1.457 1.00 0.00 N ATOM 254 CA LEU A 18 22.310 11.712 -2.742 1.00 0.00 C ATOM 255 C LEU A 18 23.573 12.291 -3.373 1.00 0.00 C ATOM 256 O LEU A 18 23.661 12.438 -4.592 1.00 0.00 O ATOM 257 CB LEU A 18 21.119 11.915 -3.678 1.00 0.00 C ATOM 258 CG LEU A 18 20.051 10.820 -3.627 1.00 0.00 C ATOM 259 CD1 LEU A 18 20.667 9.462 -3.929 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.366 10.805 -2.270 1.00 0.00 C ATOM 0 H LEU A 18 21.283 13.005 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 18 22.470 10.645 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.649 12.869 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.490 11.990 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 18 19.300 11.035 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.894 8.695 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.111 9.477 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.438 9.240 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.610 10.020 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.105 10.614 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.891 11.770 -2.091 1.00 0.00 H new ATOM 272 N THR A 19 24.548 12.607 -2.533 1.00 0.00 N ATOM 273 CA THR A 19 25.806 13.175 -2.995 1.00 0.00 C ATOM 274 C THR A 19 26.807 12.078 -3.338 1.00 0.00 C ATOM 275 O THR A 19 27.680 12.264 -4.187 1.00 0.00 O ATOM 276 CB THR A 19 26.413 14.105 -1.931 1.00 0.00 C ATOM 277 OG1 THR A 19 26.886 13.335 -0.818 1.00 0.00 O ATOM 278 CG2 THR A 19 25.378 15.112 -1.450 1.00 0.00 C ATOM 0 H THR A 19 24.491 12.479 -1.523 1.00 0.00 H new ATOM 0 HA THR A 19 25.592 13.754 -3.893 1.00 0.00 H new ATOM 0 HB THR A 19 27.248 14.643 -2.380 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.272 13.935 -0.146 1.00 0.00 H new ATOM 0 HG21 THR A 19 25.825 15.762 -0.698 1.00 0.00 H new ATOM 0 HG22 THR A 19 25.037 15.714 -2.292 1.00 0.00 H new ATOM 0 HG23 THR A 19 24.530 14.583 -1.015 1.00 0.00 H new ATOM 286 N GLU A 20 26.673 10.936 -2.673 1.00 0.00 N ATOM 287 CA GLU A 20 27.558 9.803 -2.910 1.00 0.00 C ATOM 288 C GLU A 20 26.899 8.790 -3.839 1.00 0.00 C ATOM 289 O GLU A 20 25.694 8.553 -3.757 1.00 0.00 O ATOM 290 CB GLU A 20 27.931 9.133 -1.586 1.00 0.00 C ATOM 291 CG GLU A 20 28.736 10.026 -0.656 1.00 0.00 C ATOM 292 CD GLU A 20 30.053 10.467 -1.266 1.00 0.00 C ATOM 293 OE1 GLU A 20 31.043 9.716 -1.146 1.00 0.00 O ATOM 294 OE2 GLU A 20 30.091 11.562 -1.864 1.00 0.00 O ATOM 0 H GLU A 20 25.958 10.771 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 20 28.465 10.173 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 20 27.019 8.821 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.504 8.230 -1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.145 10.906 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 20 28.931 9.493 0.275 1.00 0.00 H new ATOM 301 N THR A 21 27.694 8.198 -4.723 1.00 0.00 N ATOM 302 CA THR A 21 27.183 7.212 -5.669 1.00 0.00 C ATOM 303 C THR A 21 27.426 5.795 -5.164 1.00 0.00 C ATOM 304 O THR A 21 26.866 4.832 -5.689 1.00 0.00 O ATOM 305 CB THR A 21 27.843 7.367 -7.051 1.00 0.00 C ATOM 306 OG1 THR A 21 28.115 8.750 -7.314 1.00 0.00 O ATOM 307 CG2 THR A 21 26.946 6.812 -8.145 1.00 0.00 C ATOM 0 H THR A 21 28.694 8.383 -4.805 1.00 0.00 H new ATOM 0 HA THR A 21 26.111 7.387 -5.763 1.00 0.00 H new ATOM 0 HB THR A 21 28.777 6.805 -7.045 1.00 0.00 H new ATOM 0 HG1 THR A 21 28.536 8.839 -8.194 1.00 0.00 H new ATOM 0 HG21 THR A 21 27.434 6.933 -9.112 1.00 0.00 H new ATOM 0 HG22 THR A 21 26.761 5.754 -7.962 1.00 0.00 H new ATOM 0 HG23 THR A 21 25.998 7.351 -8.147 1.00 0.00 H new ATOM 315 N ARG A 22 28.265 5.674 -4.139 1.00 0.00 N ATOM 316 CA ARG A 22 28.590 4.376 -3.562 1.00 0.00 C ATOM 317 C ARG A 22 28.247 4.355 -2.077 1.00 0.00 C ATOM 318 O ARG A 22 28.175 5.405 -1.438 1.00 0.00 O ATOM 319 CB ARG A 22 30.069 4.066 -3.743 1.00 0.00 C ATOM 320 CG ARG A 22 30.551 4.181 -5.180 1.00 0.00 C ATOM 321 CD ARG A 22 32.026 3.835 -5.304 1.00 0.00 C ATOM 322 NE ARG A 22 32.544 4.120 -6.640 1.00 0.00 N ATOM 323 CZ ARG A 22 33.508 3.415 -7.225 1.00 0.00 C ATOM 324 NH1 ARG A 22 34.054 2.382 -6.597 1.00 0.00 N ATOM 325 NH2 ARG A 22 33.928 3.745 -8.438 1.00 0.00 N ATOM 0 H ARG A 22 28.732 6.462 -3.691 1.00 0.00 H new ATOM 0 HA ARG A 22 28.001 3.618 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 22 30.651 4.744 -3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.265 3.056 -3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 22 29.966 3.516 -5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.383 5.196 -5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.595 4.401 -4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.171 2.779 -5.076 1.00 0.00 H new ATOM 0 HE ARG A 22 32.143 4.905 -7.154 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.735 2.126 -5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 22 34.793 1.843 -7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.512 4.540 -8.923 1.00 0.00 H new ATOM 0 HH22 ARG A 22 34.667 3.204 -8.886 1.00 0.00 H new ATOM 339 N PHE A 23 28.045 3.160 -1.525 1.00 0.00 N ATOM 340 CA PHE A 23 27.702 2.998 -0.114 1.00 0.00 C ATOM 341 C PHE A 23 28.233 1.659 0.398 1.00 0.00 C ATOM 342 O PHE A 23 27.736 0.599 0.017 1.00 0.00 O ATOM 343 CB PHE A 23 26.184 3.078 0.072 1.00 0.00 C ATOM 344 CG PHE A 23 25.560 4.286 -0.566 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.282 4.298 -1.924 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.269 5.414 0.183 1.00 0.00 C ATOM 347 CE1 PHE A 23 24.729 5.410 -2.522 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.708 6.530 -0.410 1.00 0.00 C ATOM 349 CZ PHE A 23 24.440 6.528 -1.765 1.00 0.00 C ATOM 0 H PHE A 23 28.114 2.282 -2.040 1.00 0.00 H new ATOM 0 HA PHE A 23 28.163 3.802 0.460 1.00 0.00 H new ATOM 0 HB2 PHE A 23 25.728 2.181 -0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 23 25.957 3.083 1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 23 25.501 3.425 -2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.483 5.422 1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 23 24.522 5.407 -3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.480 7.402 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.005 7.400 -2.232 1.00 0.00 H new ATOM 359 N LYS A 24 29.251 1.720 1.255 1.00 0.00 N ATOM 360 CA LYS A 24 29.883 0.518 1.803 1.00 0.00 C ATOM 361 C LYS A 24 28.871 -0.489 2.332 1.00 0.00 C ATOM 362 O LYS A 24 27.711 -0.158 2.571 1.00 0.00 O ATOM 363 CB LYS A 24 30.860 0.885 2.921 1.00 0.00 C ATOM 364 CG LYS A 24 30.432 2.095 3.737 1.00 0.00 C ATOM 365 CD LYS A 24 31.487 2.483 4.761 1.00 0.00 C ATOM 366 CE LYS A 24 31.592 1.455 5.877 1.00 0.00 C ATOM 367 NZ LYS A 24 30.314 1.316 6.628 1.00 0.00 N ATOM 0 H LYS A 24 29.659 2.594 1.587 1.00 0.00 H new ATOM 0 HA LYS A 24 30.419 0.050 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.973 0.030 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.840 1.080 2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.245 2.937 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.493 1.877 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.454 2.584 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.242 3.457 5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.872 0.490 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.387 1.745 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.452 0.670 7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 30.015 2.248 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.581 0.933 5.998 1.00 0.00 H new ATOM 381 N THR A 25 29.330 -1.722 2.519 1.00 0.00 N ATOM 382 CA THR A 25 28.477 -2.793 3.002 1.00 0.00 C ATOM 383 C THR A 25 28.035 -2.572 4.442 1.00 0.00 C ATOM 384 O THR A 25 27.263 -3.359 4.989 1.00 0.00 O ATOM 385 CB THR A 25 29.172 -4.151 2.915 1.00 0.00 C ATOM 386 OG1 THR A 25 30.569 -4.010 3.198 1.00 0.00 O ATOM 387 CG2 THR A 25 28.978 -4.795 1.541 1.00 0.00 C ATOM 0 H THR A 25 30.295 -2.002 2.341 1.00 0.00 H new ATOM 0 HA THR A 25 27.601 -2.786 2.354 1.00 0.00 H new ATOM 0 HB THR A 25 28.717 -4.805 3.659 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.004 -4.886 3.141 1.00 0.00 H new ATOM 0 HG21 THR A 25 29.486 -5.759 1.516 1.00 0.00 H new ATOM 0 HG22 THR A 25 27.914 -4.940 1.354 1.00 0.00 H new ATOM 0 HG23 THR A 25 29.396 -4.145 0.772 1.00 0.00 H new ATOM 395 N GLY A 26 28.524 -1.505 5.051 1.00 0.00 N ATOM 396 CA GLY A 26 28.161 -1.206 6.423 1.00 0.00 C ATOM 397 C GLY A 26 27.114 -0.121 6.494 1.00 0.00 C ATOM 398 O GLY A 26 26.458 0.063 7.520 1.00 0.00 O ATOM 0 H GLY A 26 29.166 -0.839 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.785 -2.108 6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.047 -0.894 6.975 1.00 0.00 H new ATOM 402 N THR A 27 26.965 0.598 5.390 1.00 0.00 N ATOM 403 CA THR A 27 25.996 1.686 5.299 1.00 0.00 C ATOM 404 C THR A 27 24.575 1.171 5.508 1.00 0.00 C ATOM 405 O THR A 27 24.330 -0.033 5.443 1.00 0.00 O ATOM 406 CB THR A 27 26.074 2.394 3.935 1.00 0.00 C ATOM 407 OG1 THR A 27 25.491 3.699 4.027 1.00 0.00 O ATOM 408 CG2 THR A 27 25.349 1.589 2.869 1.00 0.00 C ATOM 0 H THR A 27 27.506 0.447 4.539 1.00 0.00 H new ATOM 0 HA THR A 27 26.244 2.399 6.085 1.00 0.00 H new ATOM 0 HB THR A 27 27.124 2.482 3.655 1.00 0.00 H new ATOM 0 HG1 THR A 27 25.546 4.144 3.156 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.417 2.108 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.809 0.605 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.301 1.477 3.148 1.00 0.00 H new ATOM 416 N THR A 28 23.641 2.085 5.756 1.00 0.00 N ATOM 417 CA THR A 28 22.248 1.706 5.962 1.00 0.00 C ATOM 418 C THR A 28 21.307 2.881 5.715 1.00 0.00 C ATOM 419 O THR A 28 21.421 3.930 6.350 1.00 0.00 O ATOM 420 CB THR A 28 22.013 1.158 7.382 1.00 0.00 C ATOM 421 OG1 THR A 28 22.846 0.015 7.613 1.00 0.00 O ATOM 422 CG2 THR A 28 20.554 0.773 7.583 1.00 0.00 C ATOM 0 H THR A 28 23.822 3.087 5.819 1.00 0.00 H new ATOM 0 HA THR A 28 22.031 0.919 5.240 1.00 0.00 H new ATOM 0 HB THR A 28 22.267 1.944 8.093 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.189 -0.318 6.757 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.415 0.389 8.594 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.923 1.650 7.438 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.278 0.004 6.862 1.00 0.00 H new ATOM 430 N LEU A 29 20.377 2.692 4.785 1.00 0.00 N ATOM 431 CA LEU A 29 19.427 3.740 4.427 1.00 0.00 C ATOM 432 C LEU A 29 18.233 3.755 5.379 1.00 0.00 C ATOM 433 O LEU A 29 18.053 2.839 6.182 1.00 0.00 O ATOM 434 CB LEU A 29 18.934 3.555 2.988 1.00 0.00 C ATOM 435 CG LEU A 29 19.996 3.754 1.901 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.002 2.616 1.923 1.00 0.00 C ATOM 437 CD2 LEU A 29 19.343 3.854 0.532 1.00 0.00 C ATOM 0 H LEU A 29 20.260 1.822 4.265 1.00 0.00 H new ATOM 0 HA LEU A 29 19.948 4.694 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.520 2.551 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.118 4.255 2.808 1.00 0.00 H new ATOM 0 HG LEU A 29 20.524 4.686 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 29 21.748 2.775 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.494 2.584 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.487 1.672 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.111 3.995 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.791 2.937 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.658 4.701 0.517 1.00 0.00 H new ATOM 449 N LYS A 30 17.423 4.807 5.283 1.00 0.00 N ATOM 450 CA LYS A 30 16.241 4.948 6.125 1.00 0.00 C ATOM 451 C LYS A 30 14.981 4.636 5.331 1.00 0.00 C ATOM 452 O LYS A 30 14.366 3.583 5.508 1.00 0.00 O ATOM 453 CB LYS A 30 16.147 6.367 6.691 1.00 0.00 C ATOM 454 CG LYS A 30 15.215 6.485 7.887 1.00 0.00 C ATOM 455 CD LYS A 30 15.728 5.692 9.078 1.00 0.00 C ATOM 456 CE LYS A 30 14.796 5.814 10.272 1.00 0.00 C ATOM 457 NZ LYS A 30 14.656 7.225 10.725 1.00 0.00 N ATOM 0 H LYS A 30 17.566 5.576 4.628 1.00 0.00 H new ATOM 0 HA LYS A 30 16.330 4.241 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.143 6.699 6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.804 7.040 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.111 7.534 8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.223 6.128 7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.830 4.643 8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.721 6.048 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.815 5.418 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.176 5.205 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.215 7.245 11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.595 7.669 10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.060 7.748 10.052 1.00 0.00 H new ATOM 471 N TYR A 31 14.609 5.564 4.454 1.00 0.00 N ATOM 472 CA TYR A 31 13.427 5.411 3.615 1.00 0.00 C ATOM 473 C TYR A 31 12.148 5.387 4.446 1.00 0.00 C ATOM 474 O TYR A 31 12.078 4.752 5.498 1.00 0.00 O ATOM 475 CB TYR A 31 13.534 4.144 2.762 1.00 0.00 C ATOM 476 CG TYR A 31 14.281 4.351 1.464 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.558 4.897 1.455 1.00 0.00 C ATOM 478 CD2 TYR A 31 13.709 4.001 0.247 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.243 5.089 0.270 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.388 4.188 -0.941 1.00 0.00 C ATOM 481 CZ TYR A 31 15.655 4.733 -0.924 1.00 0.00 C ATOM 482 OH TYR A 31 16.335 4.923 -2.105 1.00 0.00 O ATOM 0 H TYR A 31 15.115 6.437 4.306 1.00 0.00 H new ATOM 0 HA TYR A 31 13.377 6.277 2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.035 3.368 3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.531 3.779 2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.023 5.176 2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.717 3.575 0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.235 5.516 0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.929 3.909 -1.878 1.00 0.00 H new ATOM 0 HH TYR A 31 15.781 4.619 -2.854 1.00 0.00 H new ATOM 492 N THR A 32 11.140 6.093 3.952 1.00 0.00 N ATOM 493 CA THR A 32 9.853 6.167 4.627 1.00 0.00 C ATOM 494 C THR A 32 8.788 5.418 3.838 1.00 0.00 C ATOM 495 O THR A 32 8.346 5.873 2.783 1.00 0.00 O ATOM 496 CB THR A 32 9.408 7.627 4.829 1.00 0.00 C ATOM 497 OG1 THR A 32 7.979 7.704 4.904 1.00 0.00 O ATOM 498 CG2 THR A 32 9.915 8.508 3.698 1.00 0.00 C ATOM 0 H THR A 32 11.190 6.624 3.083 1.00 0.00 H new ATOM 0 HA THR A 32 9.973 5.701 5.605 1.00 0.00 H new ATOM 0 HB THR A 32 9.835 7.986 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.708 8.637 5.034 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.588 9.535 3.862 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.004 8.474 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.516 8.148 2.750 1.00 0.00 H new ATOM 506 N CYS A 33 8.387 4.263 4.357 1.00 0.00 N ATOM 507 CA CYS A 33 7.383 3.437 3.700 1.00 0.00 C ATOM 508 C CYS A 33 6.106 4.213 3.417 1.00 0.00 C ATOM 509 O CYS A 33 5.327 4.537 4.314 1.00 0.00 O ATOM 510 CB CYS A 33 7.050 2.214 4.550 1.00 0.00 C ATOM 511 SG CYS A 33 8.168 0.801 4.299 1.00 0.00 S ATOM 0 H CYS A 33 8.743 3.878 5.232 1.00 0.00 H new ATOM 0 HA CYS A 33 7.809 3.118 2.749 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.075 2.499 5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.030 1.899 4.329 1.00 0.00 H new ATOM 516 N LEU A 34 5.947 4.503 2.131 1.00 0.00 N ATOM 517 CA LEU A 34 4.813 5.249 1.604 1.00 0.00 C ATOM 518 C LEU A 34 3.554 5.018 2.440 1.00 0.00 C ATOM 519 O LEU A 34 3.110 3.884 2.611 1.00 0.00 O ATOM 520 CB LEU A 34 4.577 4.861 0.143 1.00 0.00 C ATOM 521 CG LEU A 34 5.585 5.448 -0.863 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.352 6.940 -1.049 1.00 0.00 C ATOM 523 CD2 LEU A 34 7.019 5.187 -0.431 1.00 0.00 C ATOM 0 H LEU A 34 6.615 4.221 1.414 1.00 0.00 H new ATOM 0 HA LEU A 34 5.044 6.313 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.601 3.774 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.575 5.180 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 34 5.426 4.947 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.074 7.335 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.342 7.107 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.472 7.449 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.703 5.615 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.195 5.646 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.188 4.112 -0.361 1.00 0.00 H new ATOM 535 N PRO A 35 2.969 6.110 2.966 1.00 0.00 N ATOM 536 CA PRO A 35 1.772 6.053 3.812 1.00 0.00 C ATOM 537 C PRO A 35 0.670 5.159 3.256 1.00 0.00 C ATOM 538 O PRO A 35 0.200 5.356 2.142 1.00 0.00 O ATOM 539 CB PRO A 35 1.299 7.505 3.850 1.00 0.00 C ATOM 540 CG PRO A 35 2.533 8.313 3.653 1.00 0.00 C ATOM 541 CD PRO A 35 3.436 7.497 2.768 1.00 0.00 C ATOM 0 HA PRO A 35 2.003 5.624 4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.567 7.703 3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.820 7.740 4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.300 9.272 3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.014 8.527 4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.354 7.801 1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.482 7.611 3.052 1.00 0.00 H new ATOM 549 N GLY A 36 0.265 4.182 4.061 1.00 0.00 N ATOM 550 CA GLY A 36 -0.802 3.284 3.653 1.00 0.00 C ATOM 551 C GLY A 36 -0.301 1.923 3.218 1.00 0.00 C ATOM 552 O GLY A 36 -0.998 0.930 3.404 1.00 0.00 O ATOM 0 H GLY A 36 0.654 3.996 4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.500 3.160 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.358 3.739 2.833 1.00 0.00 H new ATOM 556 N TYR A 37 0.880 1.911 2.586 1.00 0.00 N ATOM 557 CA TYR A 37 1.548 0.692 2.101 1.00 0.00 C ATOM 558 C TYR A 37 0.909 -0.613 2.576 1.00 0.00 C ATOM 559 O TYR A 37 0.375 -0.723 3.679 1.00 0.00 O ATOM 560 CB TYR A 37 3.015 0.719 2.515 1.00 0.00 C ATOM 561 CG TYR A 37 3.199 0.696 4.007 1.00 0.00 C ATOM 562 CD1 TYR A 37 2.912 1.814 4.777 1.00 0.00 C ATOM 563 CD2 TYR A 37 3.652 -0.448 4.643 1.00 0.00 C ATOM 564 CE1 TYR A 37 3.075 1.792 6.150 1.00 0.00 C ATOM 565 CE2 TYR A 37 3.818 -0.481 6.015 1.00 0.00 C ATOM 566 CZ TYR A 37 3.530 0.643 6.764 1.00 0.00 C ATOM 567 OH TYR A 37 3.695 0.614 8.129 1.00 0.00 O ATOM 0 H TYR A 37 1.409 2.762 2.393 1.00 0.00 H new ATOM 0 HA TYR A 37 1.440 0.701 1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.527 -0.138 2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.486 1.614 2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.556 2.714 4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.879 -1.327 4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.848 2.669 6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.171 -1.380 6.498 1.00 0.00 H new ATOM 0 HH TYR A 37 4.021 -0.270 8.400 1.00 0.00 H new ATOM 577 N VAL A 38 1.077 -1.626 1.745 1.00 0.00 N ATOM 578 CA VAL A 38 0.486 -2.926 2.014 1.00 0.00 C ATOM 579 C VAL A 38 1.531 -3.857 2.627 1.00 0.00 C ATOM 580 O VAL A 38 2.714 -3.527 2.674 1.00 0.00 O ATOM 581 CB VAL A 38 -0.094 -3.519 0.726 1.00 0.00 C ATOM 582 CG1 VAL A 38 -0.831 -4.812 0.994 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.019 -2.507 0.075 1.00 0.00 C ATOM 0 H VAL A 38 1.616 -1.575 0.881 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.329 -2.810 2.729 1.00 0.00 H new ATOM 0 HB VAL A 38 0.730 -3.747 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.229 -5.205 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.145 -5.538 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.651 -4.626 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.432 -2.928 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.831 -2.263 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.459 -1.602 -0.162 1.00 0.00 H new ATOM 593 N ARG A 39 1.088 -5.016 3.108 1.00 0.00 N ATOM 594 CA ARG A 39 1.983 -5.956 3.772 1.00 0.00 C ATOM 595 C ARG A 39 2.605 -6.991 2.837 1.00 0.00 C ATOM 596 O ARG A 39 1.988 -7.448 1.874 1.00 0.00 O ATOM 597 CB ARG A 39 1.242 -6.667 4.903 1.00 0.00 C ATOM 598 CG ARG A 39 0.992 -5.792 6.123 1.00 0.00 C ATOM 599 CD ARG A 39 -0.046 -4.716 5.844 1.00 0.00 C ATOM 600 NE ARG A 39 -0.341 -3.917 7.032 1.00 0.00 N ATOM 601 CZ ARG A 39 -1.289 -2.986 7.079 1.00 0.00 C ATOM 602 NH1 ARG A 39 -2.029 -2.732 6.008 1.00 0.00 N ATOM 603 NH2 ARG A 39 -1.497 -2.307 8.198 1.00 0.00 N ATOM 0 H ARG A 39 0.118 -5.325 3.050 1.00 0.00 H new ATOM 0 HA ARG A 39 2.809 -5.361 4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.286 -7.029 4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.817 -7.542 5.207 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.657 -6.414 6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.927 -5.324 6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.314 -4.063 5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.963 -5.182 5.484 1.00 0.00 H new ATOM 0 HE ARG A 39 0.212 -4.083 7.873 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.872 -3.252 5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.755 -2.017 6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.930 -2.499 9.024 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.224 -1.593 8.233 1.00 0.00 H new ATOM 617 N SER A 40 3.847 -7.350 3.163 1.00 0.00 N ATOM 618 CA SER A 40 4.615 -8.342 2.422 1.00 0.00 C ATOM 619 C SER A 40 5.745 -8.874 3.304 1.00 0.00 C ATOM 620 O SER A 40 5.913 -10.085 3.459 1.00 0.00 O ATOM 621 CB SER A 40 5.193 -7.738 1.141 1.00 0.00 C ATOM 622 OG SER A 40 5.915 -8.706 0.399 1.00 0.00 O ATOM 0 H SER A 40 4.350 -6.954 3.957 1.00 0.00 H new ATOM 0 HA SER A 40 3.952 -9.161 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.386 -7.335 0.529 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.849 -6.905 1.392 1.00 0.00 H new ATOM 0 HG SER A 40 6.576 -9.137 0.980 1.00 0.00 H new ATOM 628 N HIS A 41 6.514 -7.950 3.881 1.00 0.00 N ATOM 629 CA HIS A 41 7.626 -8.295 4.766 1.00 0.00 C ATOM 630 C HIS A 41 7.783 -7.240 5.857 1.00 0.00 C ATOM 631 O HIS A 41 6.828 -6.538 6.191 1.00 0.00 O ATOM 632 CB HIS A 41 8.933 -8.410 3.980 1.00 0.00 C ATOM 633 CG HIS A 41 8.981 -9.591 3.059 1.00 0.00 C ATOM 634 ND1 HIS A 41 8.154 -9.728 1.963 1.00 0.00 N ATOM 635 CD2 HIS A 41 9.764 -10.696 3.076 1.00 0.00 C ATOM 636 CE1 HIS A 41 8.426 -10.866 1.349 1.00 0.00 C ATOM 637 NE2 HIS A 41 9.398 -11.470 2.004 1.00 0.00 N ATOM 0 H HIS A 41 6.384 -6.947 3.749 1.00 0.00 H new ATOM 0 HA HIS A 41 7.403 -9.259 5.223 1.00 0.00 H new ATOM 0 HB2 HIS A 41 9.077 -7.500 3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.764 -8.474 4.682 1.00 0.00 H new ATOM 0 HD2 HIS A 41 10.533 -10.925 3.799 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.936 -11.238 0.462 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.811 -12.368 1.754 1.00 0.00 H new ATOM 646 N SER A 42 8.989 -7.131 6.412 1.00 0.00 N ATOM 647 CA SER A 42 9.252 -6.147 7.455 1.00 0.00 C ATOM 648 C SER A 42 10.743 -5.880 7.629 1.00 0.00 C ATOM 649 O SER A 42 11.507 -6.755 8.037 1.00 0.00 O ATOM 650 CB SER A 42 8.658 -6.597 8.786 1.00 0.00 C ATOM 651 OG SER A 42 9.217 -7.829 9.207 1.00 0.00 O ATOM 0 H SER A 42 9.791 -7.707 6.158 1.00 0.00 H new ATOM 0 HA SER A 42 8.776 -5.219 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.839 -5.835 9.544 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.577 -6.700 8.689 1.00 0.00 H new ATOM 0 HG SER A 42 10.169 -7.852 8.977 1.00 0.00 H new ATOM 657 N THR A 43 11.137 -4.654 7.313 1.00 0.00 N ATOM 658 CA THR A 43 12.527 -4.214 7.438 1.00 0.00 C ATOM 659 C THR A 43 12.607 -2.691 7.440 1.00 0.00 C ATOM 660 O THR A 43 12.790 -2.066 8.486 1.00 0.00 O ATOM 661 CB THR A 43 13.409 -4.754 6.296 1.00 0.00 C ATOM 662 OG1 THR A 43 13.204 -6.161 6.134 1.00 0.00 O ATOM 663 CG2 THR A 43 14.880 -4.484 6.579 1.00 0.00 C ATOM 0 H THR A 43 10.505 -3.934 6.963 1.00 0.00 H new ATOM 0 HA THR A 43 12.899 -4.612 8.382 1.00 0.00 H new ATOM 0 HB THR A 43 13.126 -4.240 5.377 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.880 -6.544 6.976 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.485 -4.873 5.760 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.042 -3.410 6.671 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.168 -4.975 7.509 1.00 0.00 H new ATOM 671 N GLN A 44 12.483 -2.117 6.248 1.00 0.00 N ATOM 672 CA GLN A 44 12.511 -0.666 6.051 1.00 0.00 C ATOM 673 C GLN A 44 13.934 -0.123 6.082 1.00 0.00 C ATOM 674 O GLN A 44 14.163 1.001 6.528 1.00 0.00 O ATOM 675 CB GLN A 44 11.649 0.044 7.099 1.00 0.00 C ATOM 676 CG GLN A 44 10.180 -0.342 7.040 1.00 0.00 C ATOM 677 CD GLN A 44 9.324 0.468 7.994 1.00 0.00 C ATOM 678 OE1 GLN A 44 9.785 0.890 9.055 1.00 0.00 O ATOM 679 NE2 GLN A 44 8.070 0.690 7.619 1.00 0.00 N ATOM 0 H GLN A 44 12.359 -2.645 5.384 1.00 0.00 H new ATOM 0 HA GLN A 44 12.096 -0.465 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.037 -0.185 8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.739 1.122 6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.813 -0.205 6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.077 -1.401 7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.730 0.321 6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.446 1.230 8.219 1.00 0.00 H new ATOM 688 N THR A 45 14.884 -0.914 5.586 1.00 0.00 N ATOM 689 CA THR A 45 16.281 -0.496 5.563 1.00 0.00 C ATOM 690 C THR A 45 17.061 -1.171 4.439 1.00 0.00 C ATOM 691 O THR A 45 16.950 -2.378 4.225 1.00 0.00 O ATOM 692 CB THR A 45 16.986 -0.793 6.901 1.00 0.00 C ATOM 693 OG1 THR A 45 16.779 -2.160 7.273 1.00 0.00 O ATOM 694 CG2 THR A 45 16.472 0.123 8.000 1.00 0.00 C ATOM 0 H THR A 45 14.712 -1.841 5.198 1.00 0.00 H new ATOM 0 HA THR A 45 16.268 0.580 5.391 1.00 0.00 H new ATOM 0 HB THR A 45 18.053 -0.612 6.771 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.232 -2.340 8.123 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.985 -0.106 8.934 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.662 1.161 7.727 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.400 -0.028 8.128 1.00 0.00 H new ATOM 702 N LEU A 46 17.854 -0.374 3.729 1.00 0.00 N ATOM 703 CA LEU A 46 18.678 -0.875 2.634 1.00 0.00 C ATOM 704 C LEU A 46 20.137 -0.907 3.077 1.00 0.00 C ATOM 705 O LEU A 46 20.695 0.112 3.478 1.00 0.00 O ATOM 706 CB LEU A 46 18.519 0.003 1.385 1.00 0.00 C ATOM 707 CG LEU A 46 17.412 -0.430 0.418 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.070 -0.490 1.131 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.341 0.511 -0.778 1.00 0.00 C ATOM 0 H LEU A 46 17.943 0.629 3.894 1.00 0.00 H new ATOM 0 HA LEU A 46 18.353 -1.883 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.321 1.027 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.466 0.014 0.846 1.00 0.00 H new ATOM 0 HG LEU A 46 17.652 -1.429 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.297 -0.799 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.124 -1.208 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.825 0.495 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.548 0.185 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.130 1.523 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.294 0.500 -1.307 1.00 0.00 H new ATOM 721 N THR A 47 20.751 -2.083 3.008 1.00 0.00 N ATOM 722 CA THR A 47 22.145 -2.238 3.402 1.00 0.00 C ATOM 723 C THR A 47 22.951 -2.858 2.272 1.00 0.00 C ATOM 724 O THR A 47 22.447 -3.714 1.545 1.00 0.00 O ATOM 725 CB THR A 47 22.282 -3.126 4.653 1.00 0.00 C ATOM 726 OG1 THR A 47 21.355 -2.702 5.659 1.00 0.00 O ATOM 727 CG2 THR A 47 23.697 -3.066 5.207 1.00 0.00 C ATOM 0 H THR A 47 20.306 -2.941 2.683 1.00 0.00 H new ATOM 0 HA THR A 47 22.528 -1.243 3.630 1.00 0.00 H new ATOM 0 HB THR A 47 22.063 -4.154 4.366 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.447 -3.273 6.450 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.769 -3.701 6.090 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.399 -3.416 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 47 23.938 -2.038 5.478 1.00 0.00 H new ATOM 735 N CYS A 48 24.201 -2.434 2.119 1.00 0.00 N ATOM 736 CA CYS A 48 25.037 -2.980 1.068 1.00 0.00 C ATOM 737 C CYS A 48 25.472 -4.379 1.475 1.00 0.00 C ATOM 738 O CYS A 48 26.161 -4.562 2.478 1.00 0.00 O ATOM 739 CB CYS A 48 26.243 -2.078 0.803 1.00 0.00 C ATOM 740 SG CYS A 48 27.350 -2.668 -0.518 1.00 0.00 S ATOM 0 H CYS A 48 24.648 -1.726 2.701 1.00 0.00 H new ATOM 0 HA CYS A 48 24.471 -3.033 0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 48 25.886 -1.082 0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.817 -1.980 1.724 1.00 0.00 H new ATOM 745 N ASN A 49 25.048 -5.365 0.700 1.00 0.00 N ATOM 746 CA ASN A 49 25.407 -6.748 0.965 1.00 0.00 C ATOM 747 C ASN A 49 26.632 -7.136 0.148 1.00 0.00 C ATOM 748 O ASN A 49 27.277 -6.282 -0.460 1.00 0.00 O ATOM 749 CB ASN A 49 24.237 -7.666 0.624 1.00 0.00 C ATOM 750 CG ASN A 49 23.769 -7.475 -0.802 1.00 0.00 C ATOM 751 OD1 ASN A 49 22.775 -6.620 -0.990 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 24.298 -8.086 -1.724 1.00 0.00 N flip ATOM 0 H ASN A 49 24.454 -5.232 -0.119 1.00 0.00 H new ATOM 0 HA ASN A 49 25.642 -6.855 2.024 1.00 0.00 H new ATOM 0 HB2 ASN A 49 24.534 -8.704 0.773 1.00 0.00 H new ATOM 0 HB3 ASN A 49 23.410 -7.470 1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 49 25.061 -8.735 -1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.975 -7.945 -2.681 1.00 0.00 H new ATOM 759 N SER A 50 26.948 -8.424 0.129 1.00 0.00 N ATOM 760 CA SER A 50 28.097 -8.910 -0.623 1.00 0.00 C ATOM 761 C SER A 50 27.636 -9.684 -1.864 1.00 0.00 C ATOM 762 O SER A 50 27.989 -10.848 -2.054 1.00 0.00 O ATOM 763 CB SER A 50 28.968 -9.804 0.260 1.00 0.00 C ATOM 764 OG SER A 50 30.109 -10.264 -0.444 1.00 0.00 O ATOM 0 H SER A 50 26.427 -9.148 0.623 1.00 0.00 H new ATOM 0 HA SER A 50 28.687 -8.052 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 50 29.282 -9.250 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 50 28.384 -10.656 0.608 1.00 0.00 H new ATOM 0 HG SER A 50 29.827 -10.701 -1.274 1.00 0.00 H new ATOM 770 N ASP A 51 26.844 -9.017 -2.702 1.00 0.00 N ATOM 771 CA ASP A 51 26.331 -9.597 -3.946 1.00 0.00 C ATOM 772 C ASP A 51 26.617 -8.649 -5.105 1.00 0.00 C ATOM 773 O ASP A 51 26.989 -9.076 -6.197 1.00 0.00 O ATOM 774 CB ASP A 51 24.823 -9.835 -3.843 1.00 0.00 C ATOM 775 CG ASP A 51 24.481 -10.993 -2.926 1.00 0.00 C ATOM 776 OD1 ASP A 51 24.373 -10.770 -1.702 1.00 0.00 O ATOM 777 OD2 ASP A 51 24.322 -12.123 -3.431 1.00 0.00 O ATOM 0 H ASP A 51 26.538 -8.058 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 51 26.827 -10.552 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.339 -8.930 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.420 -10.031 -4.837 1.00 0.00 H new ATOM 782 N GLY A 52 26.437 -7.359 -4.850 1.00 0.00 N ATOM 783 CA GLY A 52 26.683 -6.359 -5.873 1.00 0.00 C ATOM 784 C GLY A 52 25.593 -5.305 -5.898 1.00 0.00 C ATOM 785 O GLY A 52 25.593 -4.404 -6.737 1.00 0.00 O ATOM 0 H GLY A 52 26.125 -6.987 -3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 52 27.646 -5.882 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 52 26.744 -6.843 -6.848 1.00 0.00 H new ATOM 789 N GLU A 53 24.663 -5.440 -4.957 1.00 0.00 N ATOM 790 CA GLU A 53 23.540 -4.511 -4.866 1.00 0.00 C ATOM 791 C GLU A 53 22.972 -4.418 -3.456 1.00 0.00 C ATOM 792 O GLU A 53 23.626 -4.773 -2.477 1.00 0.00 O ATOM 793 CB GLU A 53 22.434 -4.944 -5.828 1.00 0.00 C ATOM 794 CG GLU A 53 22.020 -6.397 -5.661 1.00 0.00 C ATOM 795 CD GLU A 53 22.869 -7.345 -6.483 1.00 0.00 C ATOM 796 OE1 GLU A 53 22.517 -7.594 -7.656 1.00 0.00 O ATOM 797 OE2 GLU A 53 23.888 -7.840 -5.957 1.00 0.00 O ATOM 0 H GLU A 53 24.663 -6.177 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 53 23.917 -3.524 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 53 21.563 -4.307 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 53 22.772 -4.786 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 53 22.091 -6.672 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 53 20.975 -6.508 -5.950 1.00 0.00 H new ATOM 804 N TRP A 54 21.740 -3.923 -3.378 1.00 0.00 N ATOM 805 CA TRP A 54 21.037 -3.748 -2.122 1.00 0.00 C ATOM 806 C TRP A 54 20.101 -4.914 -1.832 1.00 0.00 C ATOM 807 O TRP A 54 19.180 -5.204 -2.596 1.00 0.00 O ATOM 808 CB TRP A 54 20.249 -2.443 -2.184 1.00 0.00 C ATOM 809 CG TRP A 54 21.127 -1.251 -2.403 1.00 0.00 C ATOM 810 CD1 TRP A 54 21.355 -0.598 -3.580 1.00 0.00 C ATOM 811 CD2 TRP A 54 21.904 -0.582 -1.413 1.00 0.00 C ATOM 812 NE1 TRP A 54 22.232 0.442 -3.376 1.00 0.00 N ATOM 813 CE2 TRP A 54 22.581 0.473 -2.052 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.088 -0.773 -0.045 1.00 0.00 C ATOM 815 CZ2 TRP A 54 23.433 1.333 -1.363 1.00 0.00 C ATOM 816 CZ3 TRP A 54 22.932 0.079 0.638 1.00 0.00 C ATOM 817 CH2 TRP A 54 23.594 1.120 -0.021 1.00 0.00 C ATOM 0 H TRP A 54 21.202 -3.631 -4.194 1.00 0.00 H new ATOM 0 HA TRP A 54 21.767 -3.713 -1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 54 19.516 -2.503 -2.989 1.00 0.00 H new ATOM 0 HB3 TRP A 54 19.693 -2.314 -1.256 1.00 0.00 H new ATOM 0 HD1 TRP A 54 20.913 -0.859 -4.530 1.00 0.00 H new ATOM 0 HE1 TRP A 54 22.567 1.085 -4.093 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.579 -1.573 0.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 23.947 2.137 -1.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.084 -0.060 1.698 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.247 1.770 0.542 1.00 0.00 H new ATOM 828 N VAL A 55 20.359 -5.572 -0.708 1.00 0.00 N ATOM 829 CA VAL A 55 19.572 -6.709 -0.257 1.00 0.00 C ATOM 830 C VAL A 55 18.595 -6.250 0.816 1.00 0.00 C ATOM 831 O VAL A 55 18.871 -5.275 1.516 1.00 0.00 O ATOM 832 CB VAL A 55 20.475 -7.834 0.290 1.00 0.00 C ATOM 833 CG1 VAL A 55 19.862 -8.493 1.513 1.00 0.00 C ATOM 834 CG2 VAL A 55 20.749 -8.864 -0.793 1.00 0.00 C ATOM 0 H VAL A 55 21.126 -5.328 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 55 19.022 -7.111 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 55 21.421 -7.387 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 55 20.524 -9.281 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.725 -7.748 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.896 -8.924 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.387 -9.652 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.807 -9.297 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 55 21.249 -8.384 -1.634 1.00 0.00 H new ATOM 844 N TYR A 56 17.478 -6.966 0.969 1.00 0.00 N ATOM 845 CA TYR A 56 16.494 -6.620 1.994 1.00 0.00 C ATOM 846 C TYR A 56 15.169 -7.342 1.780 1.00 0.00 C ATOM 847 O TYR A 56 14.962 -7.975 0.744 1.00 0.00 O ATOM 848 CB TYR A 56 16.243 -5.106 2.025 1.00 0.00 C ATOM 849 CG TYR A 56 15.877 -4.521 0.674 1.00 0.00 C ATOM 850 CD1 TYR A 56 14.594 -4.658 0.161 1.00 0.00 C ATOM 851 CD2 TYR A 56 16.814 -3.832 -0.085 1.00 0.00 C ATOM 852 CE1 TYR A 56 14.255 -4.126 -1.069 1.00 0.00 C ATOM 853 CE2 TYR A 56 16.484 -3.298 -1.317 1.00 0.00 C ATOM 854 CZ TYR A 56 15.203 -3.447 -1.803 1.00 0.00 C ATOM 855 OH TYR A 56 14.869 -2.916 -3.028 1.00 0.00 O ATOM 0 H TYR A 56 17.235 -7.779 0.403 1.00 0.00 H new ATOM 0 HA TYR A 56 16.912 -6.941 2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.441 -4.894 2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.137 -4.606 2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.848 -5.190 0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.818 -3.711 0.294 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.252 -4.242 -1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.226 -2.767 -1.895 1.00 0.00 H new ATOM 0 HH TYR A 56 15.650 -2.468 -3.415 1.00 0.00 H new ATOM 865 N ASN A 57 14.274 -7.249 2.755 1.00 0.00 N ATOM 866 CA ASN A 57 12.971 -7.892 2.651 1.00 0.00 C ATOM 867 C ASN A 57 12.000 -6.990 1.903 1.00 0.00 C ATOM 868 O ASN A 57 12.306 -5.831 1.633 1.00 0.00 O ATOM 869 CB ASN A 57 12.421 -8.217 4.041 1.00 0.00 C ATOM 870 CG ASN A 57 13.299 -9.195 4.797 1.00 0.00 C ATOM 871 OD1 ASN A 57 13.966 -10.040 4.200 1.00 0.00 O ATOM 872 ND2 ASN A 57 13.301 -9.086 6.121 1.00 0.00 N ATOM 0 H ASN A 57 14.426 -6.736 3.624 1.00 0.00 H new ATOM 0 HA ASN A 57 13.088 -8.824 2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.329 -7.296 4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.418 -8.634 3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.871 -9.718 6.684 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.733 -8.371 6.575 1.00 0.00 H new ATOM 879 N THR A 58 10.833 -7.517 1.563 1.00 0.00 N ATOM 880 CA THR A 58 9.836 -6.733 0.850 1.00 0.00 C ATOM 881 C THR A 58 8.997 -5.916 1.827 1.00 0.00 C ATOM 882 O THR A 58 7.777 -5.820 1.687 1.00 0.00 O ATOM 883 CB THR A 58 8.912 -7.625 -0.004 1.00 0.00 C ATOM 884 OG1 THR A 58 9.689 -8.605 -0.703 1.00 0.00 O ATOM 885 CG2 THR A 58 8.126 -6.791 -1.007 1.00 0.00 C ATOM 0 H THR A 58 10.555 -8.477 1.767 1.00 0.00 H new ATOM 0 HA THR A 58 10.373 -6.060 0.182 1.00 0.00 H new ATOM 0 HB THR A 58 8.208 -8.122 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.096 -9.169 -1.242 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.482 -7.443 -1.597 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.515 -6.062 -0.475 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.818 -6.270 -1.668 1.00 0.00 H new ATOM 893 N PHE A 59 9.665 -5.340 2.826 1.00 0.00 N ATOM 894 CA PHE A 59 8.992 -4.513 3.822 1.00 0.00 C ATOM 895 C PHE A 59 8.032 -3.560 3.133 1.00 0.00 C ATOM 896 O PHE A 59 8.417 -2.860 2.198 1.00 0.00 O ATOM 897 CB PHE A 59 10.019 -3.716 4.625 1.00 0.00 C ATOM 898 CG PHE A 59 10.956 -2.920 3.762 1.00 0.00 C ATOM 899 CD1 PHE A 59 12.120 -3.491 3.278 1.00 0.00 C ATOM 900 CD2 PHE A 59 10.673 -1.604 3.431 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.984 -2.770 2.478 1.00 0.00 C ATOM 902 CE2 PHE A 59 11.534 -0.876 2.633 1.00 0.00 C ATOM 903 CZ PHE A 59 12.691 -1.462 2.155 1.00 0.00 C ATOM 0 H PHE A 59 10.671 -5.432 2.965 1.00 0.00 H new ATOM 0 HA PHE A 59 8.436 -5.160 4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.496 -3.040 5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.599 -4.401 5.243 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.356 -4.515 3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 59 9.769 -1.143 3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.888 -3.230 2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 59 11.304 0.149 2.383 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.365 -0.896 1.529 1.00 0.00 H new ATOM 913 N CYS A 60 6.781 -3.538 3.583 1.00 0.00 N ATOM 914 CA CYS A 60 5.787 -2.666 2.972 1.00 0.00 C ATOM 915 C CYS A 60 5.601 -3.061 1.512 1.00 0.00 C ATOM 916 O CYS A 60 6.487 -3.675 0.920 1.00 0.00 O ATOM 917 CB CYS A 60 6.242 -1.210 3.083 1.00 0.00 C ATOM 918 SG CYS A 60 6.999 -0.811 4.694 1.00 0.00 S ATOM 0 H CYS A 60 6.436 -4.106 4.357 1.00 0.00 H new ATOM 0 HA CYS A 60 4.834 -2.771 3.490 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.960 -1.000 2.290 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.386 -0.556 2.920 1.00 0.00 H new ATOM 923 N ILE A 61 4.461 -2.727 0.920 1.00 0.00 N ATOM 924 CA ILE A 61 4.240 -3.091 -0.471 1.00 0.00 C ATOM 925 C ILE A 61 2.935 -2.538 -1.032 1.00 0.00 C ATOM 926 O ILE A 61 1.960 -3.264 -1.214 1.00 0.00 O ATOM 927 CB ILE A 61 4.277 -4.620 -0.643 1.00 0.00 C ATOM 928 CG1 ILE A 61 4.099 -5.019 -2.109 1.00 0.00 C ATOM 929 CG2 ILE A 61 3.219 -5.276 0.229 1.00 0.00 C ATOM 930 CD1 ILE A 61 4.225 -6.510 -2.341 1.00 0.00 C ATOM 0 H ILE A 61 3.697 -2.220 1.366 1.00 0.00 H new ATOM 0 HA ILE A 61 5.052 -2.637 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 61 5.257 -4.973 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.120 -4.686 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.843 -4.500 -2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.257 -6.357 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.407 -5.032 1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.233 -4.910 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.089 -6.726 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.214 -6.845 -2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.464 -7.034 -1.763 1.00 0.00 H new ATOM 942 N TYR A 62 2.935 -1.248 -1.320 1.00 0.00 N ATOM 943 CA TYR A 62 1.767 -0.587 -1.879 1.00 0.00 C ATOM 944 C TYR A 62 1.124 -1.413 -2.996 1.00 0.00 C ATOM 945 O TYR A 62 1.739 -1.708 -4.021 1.00 0.00 O ATOM 946 CB TYR A 62 2.144 0.805 -2.382 1.00 0.00 C ATOM 947 CG TYR A 62 1.334 1.902 -1.741 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.049 1.915 -1.839 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.954 2.916 -1.023 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.795 2.907 -1.240 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.216 3.915 -0.421 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.159 3.904 -0.531 1.00 0.00 C ATOM 953 OH TYR A 62 -0.899 4.889 0.073 1.00 0.00 O ATOM 0 H TYR A 62 3.736 -0.634 -1.175 1.00 0.00 H new ATOM 0 HA TYR A 62 1.026 -0.490 -1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.202 0.981 -2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.007 0.844 -3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.550 1.135 -2.394 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.030 2.923 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.872 2.903 -1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.711 4.699 0.132 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.704 4.902 1.033 1.00 0.00 H new ATOM 963 N LYS A 63 -0.136 -1.772 -2.753 1.00 0.00 N ATOM 964 CA LYS A 63 -0.951 -2.564 -3.673 1.00 0.00 C ATOM 965 C LYS A 63 -2.415 -2.326 -3.312 1.00 0.00 C ATOM 966 O LYS A 63 -2.855 -2.689 -2.221 1.00 0.00 O ATOM 967 CB LYS A 63 -0.604 -4.061 -3.590 1.00 0.00 C ATOM 968 CG LYS A 63 -1.065 -4.737 -2.307 1.00 0.00 C ATOM 969 CD LYS A 63 -0.645 -6.197 -2.239 1.00 0.00 C ATOM 970 CE LYS A 63 0.739 -6.356 -1.640 1.00 0.00 C ATOM 971 NZ LYS A 63 1.141 -7.787 -1.544 1.00 0.00 N ATOM 0 H LYS A 63 -0.627 -1.516 -1.897 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.754 -2.257 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.053 -4.575 -4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.476 -4.178 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.654 -4.203 -1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.150 -4.670 -2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.366 -6.755 -1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.659 -6.627 -3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.463 -5.816 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.759 -5.906 -0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.683 -7.937 -0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.291 -8.386 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.730 -8.038 -2.363 1.00 0.00 H new ATOM 985 N ARG A 64 -3.183 -1.702 -4.200 1.00 0.00 N ATOM 986 CA ARG A 64 -4.575 -1.384 -3.915 1.00 0.00 C ATOM 987 C ARG A 64 -5.530 -2.422 -4.496 1.00 0.00 C ATOM 988 O ARG A 64 -5.119 -3.519 -4.868 1.00 0.00 O ATOM 989 CB ARG A 64 -4.922 0.007 -4.458 1.00 0.00 C ATOM 990 CG ARG A 64 -4.300 0.315 -5.811 1.00 0.00 C ATOM 991 CD ARG A 64 -2.884 0.853 -5.667 1.00 0.00 C ATOM 992 NE ARG A 64 -2.851 2.133 -4.964 1.00 0.00 N ATOM 993 CZ ARG A 64 -1.826 2.978 -5.020 1.00 0.00 C ATOM 994 NH1 ARG A 64 -0.757 2.681 -5.748 1.00 0.00 N ATOM 995 NH2 ARG A 64 -1.869 4.121 -4.349 1.00 0.00 N ATOM 0 H ARG A 64 -2.863 -1.407 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.696 -1.394 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.005 0.094 -4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.595 0.758 -3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.286 -0.589 -6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.915 1.045 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.274 0.128 -5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.439 0.971 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.659 2.393 -4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.721 1.803 -6.266 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.028 3.331 -5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.689 4.353 -3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.082 4.768 -4.393 1.00 0.00 H new ATOM 1009 N CYS A 65 -6.810 -2.059 -4.573 1.00 0.00 N ATOM 1010 CA CYS A 65 -7.833 -2.951 -5.098 1.00 0.00 C ATOM 1011 C CYS A 65 -8.646 -2.235 -6.162 1.00 0.00 C ATOM 1012 O CYS A 65 -8.511 -1.024 -6.345 1.00 0.00 O ATOM 1013 CB CYS A 65 -8.763 -3.416 -3.974 1.00 0.00 C ATOM 1014 SG CYS A 65 -7.939 -3.647 -2.367 1.00 0.00 S ATOM 0 H CYS A 65 -7.160 -1.148 -4.276 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.343 -3.820 -5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.565 -2.687 -3.857 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.228 -4.356 -4.269 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.491 -2.975 -6.863 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.321 -2.379 -7.894 1.00 0.00 C ATOM 1021 C ARG A 66 -11.513 -1.668 -7.268 1.00 0.00 C ATOM 1022 O ARG A 66 -12.077 -2.122 -6.277 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.793 -3.438 -8.892 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.747 -2.899 -9.945 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.111 -1.771 -10.737 1.00 0.00 C ATOM 1026 NE ARG A 66 -10.038 -2.246 -11.606 1.00 0.00 N ATOM 1027 CZ ARG A 66 -9.347 -1.458 -12.425 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.619 -0.160 -12.489 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.383 -1.965 -13.180 1.00 0.00 N ATOM 0 H ARG A 66 -9.619 -3.979 -6.738 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.722 -1.646 -8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.924 -3.871 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.284 -4.245 -8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.038 -3.703 -10.621 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.658 -2.541 -9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.873 -1.277 -11.340 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.716 -1.024 -10.049 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.805 -3.239 -11.584 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.359 0.235 -11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.088 0.442 -13.118 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.170 -2.961 -13.134 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.854 -1.359 -13.807 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.891 -0.554 -7.872 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.024 0.220 -7.388 1.00 0.00 C ATOM 1045 C HIS A 67 -14.311 -0.593 -7.530 1.00 0.00 C ATOM 1046 O HIS A 67 -14.561 -1.183 -8.581 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.142 1.529 -8.171 1.00 0.00 C ATOM 1048 CG HIS A 67 -14.054 2.527 -7.533 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -15.293 2.854 -8.044 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.900 3.276 -6.417 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.860 3.762 -7.268 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -15.036 4.033 -6.274 1.00 0.00 N ATOM 0 H HIS A 67 -11.432 -0.165 -8.696 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.866 0.454 -6.335 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.151 1.970 -8.277 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.502 1.310 -9.176 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -15.707 2.458 -8.888 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -13.042 3.278 -5.760 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.832 4.206 -7.422 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.147 -0.639 -6.476 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.402 -1.393 -6.504 1.00 0.00 C ATOM 1063 C PRO A 68 -17.400 -0.811 -7.499 1.00 0.00 C ATOM 1064 O PRO A 68 -18.318 -1.505 -7.939 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.936 -1.308 -5.072 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.831 -0.723 -4.251 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.950 0.048 -5.193 1.00 0.00 C ATOM 0 HA PRO A 68 -16.244 -2.421 -6.830 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.828 -0.684 -5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.217 -2.294 -4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.230 -0.071 -3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.266 -1.508 -3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.241 1.097 -5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.906 0.023 -4.879 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.216 0.449 -7.869 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.130 1.085 -8.802 1.00 0.00 C ATOM 1077 C GLY A 69 -19.207 1.886 -8.097 1.00 0.00 C ATOM 1078 O GLY A 69 -19.528 1.639 -6.936 1.00 0.00 O ATOM 0 H GLY A 69 -16.453 1.042 -7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.569 1.742 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.597 0.323 -9.426 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.741 2.863 -8.817 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.799 3.744 -8.325 1.00 0.00 C ATOM 1084 C GLU A 70 -21.846 3.006 -7.492 1.00 0.00 C ATOM 1085 O GLU A 70 -22.222 1.873 -7.792 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.474 4.460 -9.495 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.537 5.460 -9.069 1.00 0.00 C ATOM 1088 CD GLU A 70 -23.170 6.174 -10.247 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -24.155 5.644 -10.804 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -22.680 7.262 -10.614 1.00 0.00 O ATOM 0 H GLU A 70 -19.450 3.071 -9.772 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.323 4.472 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.714 4.978 -10.079 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.929 3.717 -10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.312 4.942 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.091 6.196 -8.400 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.302 3.679 -6.442 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.350 3.156 -5.574 1.00 0.00 C ATOM 1099 C LEU A 71 -24.678 3.783 -5.992 1.00 0.00 C ATOM 1100 O LEU A 71 -24.939 4.943 -5.671 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.049 3.495 -4.107 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.639 2.536 -3.065 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.208 2.948 -1.666 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.158 2.488 -3.155 1.00 0.00 C ATOM 0 H LEU A 71 -21.957 4.599 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.399 2.071 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.967 3.524 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.422 4.498 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.258 1.537 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.634 2.259 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.120 2.922 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.561 3.959 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.545 1.800 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.565 3.484 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.453 2.146 -4.147 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.519 3.034 -6.707 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.814 3.573 -7.117 1.00 0.00 C ATOM 1118 C ARG A 72 -27.636 3.860 -5.870 1.00 0.00 C ATOM 1119 O ARG A 72 -27.840 2.989 -5.024 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.551 2.633 -8.070 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.980 3.061 -8.365 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.684 2.069 -9.274 1.00 0.00 C ATOM 1123 NE ARG A 72 -29.008 1.924 -10.560 1.00 0.00 N ATOM 1124 CZ ARG A 72 -29.465 1.163 -11.551 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.593 0.481 -11.401 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -28.793 1.082 -12.691 1.00 0.00 N ATOM 0 H ARG A 72 -25.333 2.077 -7.007 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.655 4.498 -7.672 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.998 2.573 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.562 1.631 -7.642 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.533 3.155 -7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.976 4.045 -8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.734 1.099 -8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -30.711 2.396 -9.440 1.00 0.00 H new ATOM 0 HE ARG A 72 -28.137 2.434 -10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -31.112 0.540 -10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.942 -0.102 -12.162 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.924 1.604 -12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -29.145 0.498 -13.450 1.00 0.00 H new ATOM 1140 N ASN A 73 -28.101 5.106 -5.777 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.833 5.560 -4.611 1.00 0.00 C ATOM 1142 C ASN A 73 -27.875 5.461 -3.445 1.00 0.00 C ATOM 1143 O ASN A 73 -28.212 4.932 -2.387 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.090 4.719 -4.370 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.986 4.655 -5.591 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -31.032 5.588 -6.392 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -31.702 3.546 -5.741 1.00 0.00 N ATOM 0 H ASN A 73 -27.980 5.815 -6.501 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.183 6.583 -4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.798 3.709 -4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.650 5.138 -3.534 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -32.321 3.443 -6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -31.633 2.797 -5.052 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.675 5.996 -3.644 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.670 5.933 -2.614 1.00 0.00 C ATOM 1156 C GLY A 74 -24.383 6.635 -2.996 1.00 0.00 C ATOM 1157 O GLY A 74 -24.252 7.160 -4.100 1.00 0.00 O ATOM 0 H GLY A 74 -26.387 6.470 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.064 6.381 -1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.454 4.889 -2.389 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.430 6.633 -2.069 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.143 7.282 -2.296 1.00 0.00 C ATOM 1163 C GLN A 75 -21.022 6.550 -1.563 1.00 0.00 C ATOM 1164 O GLN A 75 -20.609 6.963 -0.479 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.193 8.742 -1.839 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.216 9.584 -2.584 1.00 0.00 C ATOM 1167 CD GLN A 75 -23.374 10.975 -1.997 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -23.178 11.092 -0.689 1.00 0.00 O flip ATOM 1169 NE2 GLN A 75 -23.670 11.933 -2.711 1.00 0.00 N flip ATOM 0 H GLN A 75 -23.524 6.190 -1.155 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.937 7.248 -3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.419 8.772 -0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.207 9.187 -1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -22.919 9.668 -3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -24.180 9.076 -2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -23.812 11.798 -3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -23.774 12.861 -2.302 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.548 5.449 -2.149 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.468 4.677 -1.538 1.00 0.00 C ATOM 1180 C VAL A 76 -18.341 5.603 -1.082 1.00 0.00 C ATOM 1181 O VAL A 76 -17.767 6.333 -1.891 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.917 3.595 -2.494 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -19.152 3.979 -3.940 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -17.441 3.330 -2.236 1.00 0.00 C ATOM 0 H VAL A 76 -20.891 5.077 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.885 4.167 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.460 2.671 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -18.755 3.201 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -20.222 4.091 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.649 4.922 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -17.083 2.564 -2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.874 4.249 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -17.307 2.987 -1.210 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.028 5.575 0.206 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.974 6.423 0.750 1.00 0.00 C ATOM 1196 C GLU A 77 -15.593 5.984 0.269 1.00 0.00 C ATOM 1197 O GLU A 77 -14.983 5.083 0.842 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.020 6.408 2.281 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.798 7.036 2.936 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.887 7.044 4.449 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -16.451 8.010 5.006 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.393 6.084 5.078 1.00 0.00 O ATOM 0 H GLU A 77 -18.487 4.976 0.893 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.149 7.437 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.912 6.938 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.115 5.377 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.906 6.489 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.683 8.059 2.577 1.00 0.00 H new ATOM 1209 N ILE A 78 -15.110 6.622 -0.794 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.790 6.314 -1.334 1.00 0.00 C ATOM 1211 C ILE A 78 -12.835 7.465 -1.061 1.00 0.00 C ATOM 1212 O ILE A 78 -13.187 8.632 -1.237 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.832 6.034 -2.850 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.466 4.668 -3.117 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.432 6.102 -3.446 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.608 3.496 -2.684 1.00 0.00 C ATOM 0 H ILE A 78 -15.612 7.354 -1.297 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.441 5.410 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.443 6.800 -3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.423 4.615 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.675 4.578 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.482 5.902 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.015 7.095 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.796 5.358 -2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.127 2.564 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.660 3.521 -3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.420 3.559 -1.612 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.626 7.134 -0.631 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.633 8.148 -0.320 1.00 0.00 C ATOM 1230 C LYS A 79 -9.233 7.560 -0.293 1.00 0.00 C ATOM 1231 O LYS A 79 -8.317 8.083 -0.925 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.947 8.803 1.033 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.957 7.841 2.218 1.00 0.00 C ATOM 1234 CD LYS A 79 -12.028 6.769 2.081 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.296 6.079 3.408 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.279 4.970 3.270 1.00 0.00 N ATOM 0 H LYS A 79 -11.311 6.174 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.672 8.903 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.211 9.585 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.920 9.290 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.980 7.366 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.123 8.402 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.949 7.218 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.714 6.031 1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.361 5.687 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.670 6.808 4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.057 5.110 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.659 4.961 2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.809 4.063 3.466 1.00 0.00 H new ATOM 1250 N THR A 80 -9.072 6.472 0.445 1.00 0.00 N ATOM 1251 CA THR A 80 -7.781 5.819 0.573 1.00 0.00 C ATOM 1252 C THR A 80 -7.364 5.106 -0.705 1.00 0.00 C ATOM 1253 O THR A 80 -6.345 4.413 -0.721 1.00 0.00 O ATOM 1254 CB THR A 80 -7.801 4.814 1.735 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.641 3.700 1.408 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.312 5.486 3.000 1.00 0.00 C ATOM 0 H THR A 80 -9.824 6.022 0.966 1.00 0.00 H new ATOM 0 HA THR A 80 -7.050 6.603 0.773 1.00 0.00 H new ATOM 0 HB THR A 80 -6.785 4.458 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.156 3.435 2.199 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.322 4.764 3.817 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.658 6.319 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.323 5.857 2.832 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.145 5.266 -1.773 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.810 4.632 -3.045 1.00 0.00 C ATOM 1266 C ASP A 81 -7.764 3.117 -2.913 1.00 0.00 C ATOM 1267 O ASP A 81 -7.320 2.418 -3.823 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.444 5.118 -3.505 1.00 0.00 C ATOM 1269 CG ASP A 81 -6.421 6.605 -3.802 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -6.169 7.393 -2.866 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -6.654 6.980 -4.969 1.00 0.00 O ATOM 0 H ASP A 81 -9.001 5.821 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.581 4.899 -3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.705 4.894 -2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.150 4.569 -4.399 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.218 2.623 -1.767 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.226 1.192 -1.491 1.00 0.00 C ATOM 1278 C LEU A 82 -6.788 0.699 -1.386 1.00 0.00 C ATOM 1279 O LEU A 82 -6.414 -0.275 -2.032 1.00 0.00 O ATOM 1280 CB LEU A 82 -8.940 0.430 -2.615 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.407 0.798 -2.880 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.174 0.947 -1.582 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.510 2.070 -3.707 1.00 0.00 C ATOM 0 H LEU A 82 -8.588 3.197 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.757 1.015 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.380 0.583 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.893 -0.635 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.854 -0.017 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.210 1.208 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.144 0.007 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.720 1.734 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.560 2.308 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.035 2.892 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.009 1.924 -4.664 1.00 0.00 H new ATOM 1295 N SER A 83 -5.993 1.355 -0.546 1.00 0.00 N ATOM 1296 CA SER A 83 -4.585 1.006 -0.390 1.00 0.00 C ATOM 1297 C SER A 83 -4.367 -0.167 0.566 1.00 0.00 C ATOM 1298 O SER A 83 -3.277 -0.316 1.120 1.00 0.00 O ATOM 1299 CB SER A 83 -3.804 2.223 0.107 1.00 0.00 C ATOM 1300 OG SER A 83 -3.890 3.296 -0.814 1.00 0.00 O ATOM 0 H SER A 83 -6.301 2.133 0.038 1.00 0.00 H new ATOM 0 HA SER A 83 -4.223 0.695 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.194 2.538 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.759 1.952 0.257 1.00 0.00 H new ATOM 0 HG SER A 83 -4.729 3.782 -0.673 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.387 -1.006 0.753 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.287 -2.168 1.640 1.00 0.00 C ATOM 1308 C PHE A 84 -5.031 -1.751 3.087 1.00 0.00 C ATOM 1309 O PHE A 84 -4.228 -0.858 3.359 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.176 -3.110 1.162 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.033 -4.359 1.990 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -3.389 -4.328 3.219 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -4.539 -5.566 1.536 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -3.255 -5.475 3.978 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -4.406 -6.716 2.291 1.00 0.00 C ATOM 1316 CZ PHE A 84 -3.765 -6.670 3.513 1.00 0.00 C ATOM 0 H PHE A 84 -6.295 -0.903 0.301 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.242 -2.692 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.374 -3.393 0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.229 -2.571 1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.987 -3.395 3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.043 -5.609 0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.752 -5.436 4.933 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.804 -7.651 1.925 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.663 -7.568 4.104 1.00 0.00 H new ATOM 1326 N GLY A 85 -5.723 -2.408 4.015 1.00 0.00 N ATOM 1327 CA GLY A 85 -5.552 -2.099 5.424 1.00 0.00 C ATOM 1328 C GLY A 85 -6.423 -0.943 5.859 1.00 0.00 C ATOM 1329 O GLY A 85 -5.941 0.020 6.456 1.00 0.00 O ATOM 0 H GLY A 85 -6.397 -3.147 3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.793 -2.979 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.507 -1.859 5.618 1.00 0.00 H new ATOM 1333 N SER A 86 -7.715 -1.043 5.560 1.00 0.00 N ATOM 1334 CA SER A 86 -8.664 0.005 5.906 1.00 0.00 C ATOM 1335 C SER A 86 -10.085 -0.428 5.591 1.00 0.00 C ATOM 1336 O SER A 86 -10.499 -1.540 5.922 1.00 0.00 O ATOM 1337 CB SER A 86 -8.317 1.289 5.143 1.00 0.00 C ATOM 1338 OG SER A 86 -8.405 1.090 3.742 1.00 0.00 O ATOM 0 H SER A 86 -8.127 -1.842 5.078 1.00 0.00 H new ATOM 0 HA SER A 86 -8.599 0.196 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.995 2.088 5.443 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.309 1.610 5.405 1.00 0.00 H new ATOM 0 HG SER A 86 -8.181 1.924 3.278 1.00 0.00 H new ATOM 1344 N GLN A 87 -10.814 0.459 4.937 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.192 0.188 4.558 1.00 0.00 C ATOM 1346 C GLN A 87 -12.834 1.405 3.911 1.00 0.00 C ATOM 1347 O GLN A 87 -12.392 2.537 4.109 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.015 -0.251 5.774 1.00 0.00 C ATOM 1349 CG GLN A 87 -12.869 0.663 6.981 1.00 0.00 C ATOM 1350 CD GLN A 87 -13.586 1.989 6.810 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -14.693 1.975 6.078 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -13.151 3.013 7.335 1.00 0.00 N flip ATOM 0 H GLN A 87 -10.473 1.378 4.655 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.178 -0.623 3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.067 -0.297 5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.716 -1.260 6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.260 0.156 7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.811 0.849 7.163 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.296 2.978 7.890 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.646 3.897 7.215 1.00 0.00 H new ATOM 1361 N ILE A 88 -13.877 1.158 3.132 1.00 0.00 N ATOM 1362 CA ILE A 88 -14.595 2.223 2.454 1.00 0.00 C ATOM 1363 C ILE A 88 -16.077 2.168 2.785 1.00 0.00 C ATOM 1364 O ILE A 88 -16.832 1.399 2.188 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.407 2.151 0.927 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.641 0.724 0.423 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.015 2.634 0.554 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -14.715 0.618 -1.086 1.00 0.00 C ATOM 0 H ILE A 88 -14.245 0.223 2.954 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.180 3.167 2.809 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.141 2.800 0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.837 0.083 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.568 0.344 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.889 2.580 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.887 3.665 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.269 2.003 1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -14.882 -0.421 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.537 1.232 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.779 0.967 -1.522 1.00 0.00 H new ATOM 1380 N GLU A 89 -16.488 2.979 3.752 1.00 0.00 N ATOM 1381 CA GLU A 89 -17.881 3.024 4.163 1.00 0.00 C ATOM 1382 C GLU A 89 -18.773 3.322 2.964 1.00 0.00 C ATOM 1383 O GLU A 89 -18.283 3.575 1.867 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.081 4.088 5.247 1.00 0.00 C ATOM 1385 CG GLU A 89 -19.322 3.869 6.097 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.481 4.921 7.177 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -18.838 4.785 8.239 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -20.247 5.883 6.960 1.00 0.00 O ATOM 0 H GLU A 89 -15.875 3.613 4.264 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.156 2.052 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.205 4.102 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.144 5.068 4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -20.203 3.876 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -19.272 2.883 6.559 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.079 3.277 3.173 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.030 3.553 2.105 1.00 0.00 C ATOM 1397 C PHE A 90 -22.151 4.445 2.624 1.00 0.00 C ATOM 1398 O PHE A 90 -22.127 4.861 3.783 1.00 0.00 O ATOM 1399 CB PHE A 90 -21.592 2.245 1.543 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.532 1.318 1.013 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.120 1.392 -0.311 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -19.945 0.370 1.840 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.147 0.543 -0.798 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -18.971 -0.483 1.356 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.570 -0.396 0.036 1.00 0.00 C ATOM 0 H PHE A 90 -20.506 3.052 4.072 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.517 4.076 1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.153 1.734 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.296 2.475 0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.567 2.123 -0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.253 0.298 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -18.837 0.612 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -18.523 -1.217 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 90 -17.807 -1.060 -0.343 1.00 0.00 H new ATOM 1415 N SER A 91 -23.133 4.741 1.779 1.00 0.00 N ATOM 1416 CA SER A 91 -24.236 5.597 2.197 1.00 0.00 C ATOM 1417 C SER A 91 -25.437 5.499 1.268 1.00 0.00 C ATOM 1418 O SER A 91 -25.383 5.916 0.115 1.00 0.00 O ATOM 1419 CB SER A 91 -23.780 7.052 2.281 1.00 0.00 C ATOM 1420 OG SER A 91 -23.178 7.469 1.067 1.00 0.00 O ATOM 0 H SER A 91 -23.188 4.407 0.817 1.00 0.00 H new ATOM 0 HA SER A 91 -24.547 5.245 3.181 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.634 7.691 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.071 7.167 3.101 1.00 0.00 H new ATOM 0 HG SER A 91 -22.314 7.020 0.959 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.519 4.951 1.797 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.744 4.835 1.013 1.00 0.00 C ATOM 1428 C CYS A 92 -28.536 6.134 1.133 1.00 0.00 C ATOM 1429 O CYS A 92 -28.917 6.540 2.231 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.587 3.638 1.462 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.024 2.039 0.785 1.00 0.00 S ATOM 0 H CYS A 92 -26.578 4.585 2.747 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.480 4.664 -0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -28.574 3.585 2.551 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.622 3.803 1.164 1.00 0.00 H new ATOM 1436 N SER A 93 -28.768 6.782 -0.008 1.00 0.00 N ATOM 1437 CA SER A 93 -29.487 8.057 -0.043 1.00 0.00 C ATOM 1438 C SER A 93 -30.772 8.029 0.774 1.00 0.00 C ATOM 1439 O SER A 93 -31.231 6.973 1.207 1.00 0.00 O ATOM 1440 CB SER A 93 -29.821 8.440 -1.485 1.00 0.00 C ATOM 1441 OG SER A 93 -28.661 8.850 -2.189 1.00 0.00 O ATOM 0 H SER A 93 -28.468 6.445 -0.923 1.00 0.00 H new ATOM 0 HA SER A 93 -28.824 8.799 0.402 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.277 7.590 -1.993 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.556 9.245 -1.489 1.00 0.00 H new ATOM 0 HG SER A 93 -28.903 9.087 -3.108 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.348 9.213 0.967 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.586 9.365 1.721 1.00 0.00 C ATOM 1449 C GLU A 94 -33.628 8.344 1.276 1.00 0.00 C ATOM 1450 O GLU A 94 -33.646 7.913 0.122 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.125 10.788 1.547 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.579 10.945 1.952 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.056 12.383 1.876 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.549 12.789 0.803 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.935 13.101 2.891 1.00 0.00 O ATOM 0 H GLU A 94 -30.971 10.089 0.606 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.374 9.187 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.517 11.472 2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.014 11.084 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.201 10.326 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.710 10.576 2.969 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.499 7.969 2.209 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.541 7.004 1.916 1.00 0.00 C ATOM 1464 C GLY A 95 -35.025 5.581 1.836 1.00 0.00 C ATOM 1465 O GLY A 95 -35.712 4.649 2.250 1.00 0.00 O ATOM 0 H GLY A 95 -34.500 8.319 3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.310 7.063 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.016 7.266 0.971 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.816 5.404 1.315 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.248 4.069 1.179 1.00 0.00 C ATOM 1471 C PHE A 96 -32.132 3.876 2.198 1.00 0.00 C ATOM 1472 O PHE A 96 -31.214 4.690 2.285 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.686 3.847 -0.229 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.543 4.396 -1.334 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.630 3.680 -1.810 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -33.254 5.625 -1.904 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.412 4.179 -2.834 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -34.032 6.130 -2.926 1.00 0.00 C ATOM 1479 CZ PHE A 96 -35.112 5.407 -3.394 1.00 0.00 C ATOM 0 H PHE A 96 -33.216 6.159 0.983 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.044 3.346 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.699 4.306 -0.289 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.551 2.777 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.869 2.721 -1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.410 6.195 -1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -36.256 3.611 -3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.796 7.091 -3.360 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.720 5.800 -4.195 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.214 2.801 2.973 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.199 2.519 3.978 1.00 0.00 C ATOM 1491 C PHE A 97 -30.140 1.578 3.427 1.00 0.00 C ATOM 1492 O PHE A 97 -30.323 0.933 2.395 1.00 0.00 O ATOM 1493 CB PHE A 97 -31.833 1.952 5.254 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.413 0.571 5.113 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.530 0.348 4.324 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -31.851 -0.499 5.791 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.073 -0.919 4.210 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -32.391 -1.766 5.683 1.00 0.00 C ATOM 1499 CZ PHE A 97 -33.504 -1.976 4.891 1.00 0.00 C ATOM 0 H PHE A 97 -32.968 2.115 2.925 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.710 3.458 4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.079 1.935 6.041 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -32.621 2.629 5.583 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -33.982 1.172 3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -30.981 -0.341 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -34.941 -1.081 3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -31.944 -2.592 6.217 1.00 0.00 H new ATOM 0 HZ PHE A 97 -33.928 -2.966 4.805 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.030 1.519 4.149 1.00 0.00 N ATOM 1510 CA LEU A 98 -27.909 0.682 3.753 1.00 0.00 C ATOM 1511 C LEU A 98 -28.061 -0.738 4.276 1.00 0.00 C ATOM 1512 O LEU A 98 -28.511 -0.956 5.401 1.00 0.00 O ATOM 1513 CB LEU A 98 -26.601 1.286 4.255 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.340 0.628 3.699 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.211 1.638 3.623 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -24.942 -0.565 4.552 1.00 0.00 C ATOM 0 H LEU A 98 -28.883 2.042 5.012 1.00 0.00 H new ATOM 0 HA LEU A 98 -27.893 0.638 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.584 2.346 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -26.580 1.220 5.343 1.00 0.00 H new ATOM 0 HG LEU A 98 -25.548 0.269 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -23.318 1.156 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -24.502 2.460 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.001 2.025 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.042 -1.022 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -24.748 -0.234 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -25.751 -1.296 4.555 1.00 0.00 H new ATOM 1528 N ILE A 99 -27.677 -1.701 3.444 1.00 0.00 N ATOM 1529 CA ILE A 99 -27.736 -3.122 3.778 1.00 0.00 C ATOM 1530 C ILE A 99 -26.759 -3.882 2.905 1.00 0.00 C ATOM 1531 O ILE A 99 -27.050 -4.246 1.766 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.135 -3.713 3.526 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.153 -2.600 3.310 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -29.553 -4.609 4.680 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -31.410 -3.050 2.602 1.00 0.00 C ATOM 0 H ILE A 99 -27.312 -1.516 2.510 1.00 0.00 H new ATOM 0 HA ILE A 99 -27.492 -3.217 4.836 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.095 -4.320 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -30.424 -2.176 4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -29.687 -1.802 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -30.544 -5.017 4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -28.839 -5.426 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -29.576 -4.028 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.085 -2.202 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.152 -3.447 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -31.900 -3.826 3.189 1.00 0.00 H new ATOM 1547 N GLY A 100 -25.589 -4.113 3.480 1.00 0.00 N ATOM 1548 CA GLY A 100 -24.521 -4.810 2.796 1.00 0.00 C ATOM 1549 C GLY A 100 -23.180 -4.490 3.413 1.00 0.00 C ATOM 1550 O GLY A 100 -22.197 -4.266 2.706 1.00 0.00 O ATOM 0 H GLY A 100 -25.358 -3.822 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -24.698 -5.885 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -24.516 -4.530 1.743 1.00 0.00 H new ATOM 1554 N SER A 101 -23.151 -4.471 4.740 1.00 0.00 N ATOM 1555 CA SER A 101 -21.940 -4.153 5.484 1.00 0.00 C ATOM 1556 C SER A 101 -21.503 -2.727 5.180 1.00 0.00 C ATOM 1557 O SER A 101 -20.991 -2.444 4.095 1.00 0.00 O ATOM 1558 CB SER A 101 -20.826 -5.139 5.135 1.00 0.00 C ATOM 1559 OG SER A 101 -21.079 -6.416 5.694 1.00 0.00 O ATOM 0 H SER A 101 -23.960 -4.674 5.327 1.00 0.00 H new ATOM 0 HA SER A 101 -22.150 -4.236 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.738 -5.224 4.052 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.873 -4.760 5.503 1.00 0.00 H new ATOM 0 HG SER A 101 -20.352 -7.028 5.454 1.00 0.00 H new ATOM 1565 N THR A 102 -21.706 -1.824 6.136 1.00 0.00 N ATOM 1566 CA THR A 102 -21.350 -0.424 5.951 1.00 0.00 C ATOM 1567 C THR A 102 -19.854 -0.263 5.777 1.00 0.00 C ATOM 1568 O THR A 102 -19.373 0.816 5.438 1.00 0.00 O ATOM 1569 CB THR A 102 -21.811 0.443 7.138 1.00 0.00 C ATOM 1570 OG1 THR A 102 -21.120 0.048 8.330 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.311 0.318 7.356 1.00 0.00 C ATOM 0 H THR A 102 -22.115 -2.039 7.045 1.00 0.00 H new ATOM 0 HA THR A 102 -21.862 -0.087 5.049 1.00 0.00 H new ATOM 0 HB THR A 102 -21.580 1.483 6.907 1.00 0.00 H new ATOM 0 HG1 THR A 102 -21.417 0.605 9.080 1.00 0.00 H new ATOM 0 HG21 THR A 102 -23.609 0.940 8.200 1.00 0.00 H new ATOM 0 HG22 THR A 102 -23.837 0.646 6.460 1.00 0.00 H new ATOM 0 HG23 THR A 102 -23.563 -0.722 7.565 1.00 0.00 H new ATOM 1579 N THR A 103 -19.123 -1.336 6.010 1.00 0.00 N ATOM 1580 CA THR A 103 -17.685 -1.310 5.861 1.00 0.00 C ATOM 1581 C THR A 103 -17.248 -2.258 4.757 1.00 0.00 C ATOM 1582 O THR A 103 -17.952 -3.213 4.430 1.00 0.00 O ATOM 1583 CB THR A 103 -16.984 -1.674 7.170 1.00 0.00 C ATOM 1584 OG1 THR A 103 -17.476 -2.923 7.668 1.00 0.00 O ATOM 1585 CG2 THR A 103 -17.199 -0.581 8.204 1.00 0.00 C ATOM 0 H THR A 103 -19.504 -2.236 6.303 1.00 0.00 H new ATOM 0 HA THR A 103 -17.398 -0.293 5.592 1.00 0.00 H new ATOM 0 HB THR A 103 -15.916 -1.770 6.975 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.018 -3.145 8.505 1.00 0.00 H new ATOM 0 HG21 THR A 103 -16.695 -0.853 9.131 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.791 0.358 7.831 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.266 -0.463 8.393 1.00 0.00 H new ATOM 1593 N SER A 104 -16.083 -1.989 4.184 1.00 0.00 N ATOM 1594 CA SER A 104 -15.522 -2.828 3.138 1.00 0.00 C ATOM 1595 C SER A 104 -14.002 -2.783 3.250 1.00 0.00 C ATOM 1596 O SER A 104 -13.390 -1.757 2.972 1.00 0.00 O ATOM 1597 CB SER A 104 -15.973 -2.339 1.761 1.00 0.00 C ATOM 1598 OG SER A 104 -15.799 -3.345 0.780 1.00 0.00 O ATOM 0 H SER A 104 -15.504 -1.187 4.431 1.00 0.00 H new ATOM 0 HA SER A 104 -15.872 -3.853 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.022 -2.044 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.403 -1.452 1.482 1.00 0.00 H new ATOM 0 HG SER A 104 -14.992 -3.156 0.257 1.00 0.00 H new ATOM 1604 N ARG A 105 -13.390 -3.902 3.626 1.00 0.00 N ATOM 1605 CA ARG A 105 -11.943 -3.967 3.823 1.00 0.00 C ATOM 1606 C ARG A 105 -11.225 -4.498 2.592 1.00 0.00 C ATOM 1607 O ARG A 105 -11.716 -5.396 1.910 1.00 0.00 O ATOM 1608 CB ARG A 105 -11.622 -4.852 5.028 1.00 0.00 C ATOM 1609 CG ARG A 105 -12.318 -4.415 6.306 1.00 0.00 C ATOM 1610 CD ARG A 105 -11.927 -5.293 7.483 1.00 0.00 C ATOM 1611 NE ARG A 105 -10.483 -5.304 7.700 1.00 0.00 N ATOM 1612 CZ ARG A 105 -9.886 -6.015 8.651 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -10.604 -6.770 9.471 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -8.566 -5.973 8.781 1.00 0.00 N ATOM 0 H ARG A 105 -13.876 -4.782 3.802 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.589 -2.952 4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.909 -5.879 4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -10.544 -4.851 5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.063 -3.378 6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.398 -4.454 6.165 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.426 -4.936 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.275 -6.311 7.308 1.00 0.00 H new ATOM 0 HE ARG A 105 -9.900 -4.734 7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.619 -6.807 9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.142 -7.314 10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.010 -5.395 8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.108 -6.519 9.511 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.046 -3.944 2.327 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.248 -4.359 1.187 1.00 0.00 C ATOM 1630 C CYS A 106 -8.250 -5.416 1.618 1.00 0.00 C ATOM 1631 O CYS A 106 -7.347 -5.145 2.409 1.00 0.00 O ATOM 1632 CB CYS A 106 -8.517 -3.164 0.572 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.145 -2.664 -1.062 1.00 0.00 S ATOM 0 H CYS A 106 -9.625 -3.205 2.890 1.00 0.00 H new ATOM 0 HA CYS A 106 -9.912 -4.778 0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.593 -2.316 1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -7.458 -3.407 0.483 1.00 0.00 H new ATOM 1638 N GLU A 107 -8.420 -6.619 1.100 1.00 0.00 N ATOM 1639 CA GLU A 107 -7.558 -7.730 1.455 1.00 0.00 C ATOM 1640 C GLU A 107 -6.794 -8.215 0.232 1.00 0.00 C ATOM 1641 O GLU A 107 -6.930 -7.647 -0.846 1.00 0.00 O ATOM 1642 CB GLU A 107 -8.410 -8.850 2.058 1.00 0.00 C ATOM 1643 CG GLU A 107 -7.613 -9.943 2.751 1.00 0.00 C ATOM 1644 CD GLU A 107 -6.697 -9.405 3.834 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -7.199 -9.092 4.934 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -5.479 -9.301 3.582 1.00 0.00 O ATOM 0 H GLU A 107 -9.152 -6.851 0.428 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.825 -7.409 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.106 -8.414 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.009 -9.300 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.301 -10.666 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.018 -10.478 2.011 1.00 0.00 H new ATOM 1653 N VAL A 108 -5.967 -9.237 0.417 1.00 0.00 N ATOM 1654 CA VAL A 108 -5.187 -9.784 -0.687 1.00 0.00 C ATOM 1655 C VAL A 108 -5.291 -11.300 -0.786 1.00 0.00 C ATOM 1656 O VAL A 108 -5.081 -12.027 0.184 1.00 0.00 O ATOM 1657 CB VAL A 108 -3.705 -9.377 -0.588 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -2.843 -10.217 -1.519 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -3.552 -7.905 -0.918 1.00 0.00 C ATOM 0 H VAL A 108 -5.820 -9.701 1.313 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.617 -9.357 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.368 -9.554 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.802 -9.908 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.934 -11.269 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.175 -10.077 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.501 -7.623 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.909 -7.720 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.136 -7.312 -0.214 1.00 0.00 H new ATOM 1669 N GLN A 109 -5.621 -11.750 -1.991 1.00 0.00 N ATOM 1670 CA GLN A 109 -5.746 -13.170 -2.282 1.00 0.00 C ATOM 1671 C GLN A 109 -4.815 -13.555 -3.425 1.00 0.00 C ATOM 1672 O GLN A 109 -4.733 -12.850 -4.430 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.193 -13.508 -2.642 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.198 -13.077 -1.586 1.00 0.00 C ATOM 1675 CD GLN A 109 -9.630 -13.371 -1.987 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -9.901 -14.335 -2.704 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -10.557 -12.539 -1.526 1.00 0.00 N ATOM 0 H GLN A 109 -5.808 -11.143 -2.789 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.464 -13.737 -1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.445 -13.029 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.279 -14.584 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -7.975 -13.587 -0.649 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.089 -12.008 -1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.288 -11.753 -0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.538 -12.686 -1.763 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.116 -14.675 -3.264 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.181 -15.148 -4.277 1.00 0.00 C ATOM 1688 C ASP A 110 -2.048 -14.149 -4.485 1.00 0.00 C ATOM 1689 O ASP A 110 -0.971 -14.288 -3.902 1.00 0.00 O ATOM 1690 CB ASP A 110 -3.911 -15.407 -5.595 1.00 0.00 C ATOM 1691 CG ASP A 110 -4.731 -16.682 -5.562 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -5.838 -16.661 -4.983 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -4.268 -17.699 -6.117 1.00 0.00 O ATOM 0 H ASP A 110 -4.180 -15.272 -2.440 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.747 -16.084 -3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.565 -14.564 -5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.183 -15.467 -6.404 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.297 -13.145 -5.315 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.301 -12.121 -5.598 1.00 0.00 C ATOM 1700 C ARG A 111 -1.902 -10.962 -6.389 1.00 0.00 C ATOM 1701 O ARG A 111 -1.182 -10.214 -7.051 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.135 -12.731 -6.373 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.513 -13.202 -7.768 1.00 0.00 C ATOM 1704 CD ARG A 111 0.683 -13.779 -8.506 1.00 0.00 C ATOM 1705 NE ARG A 111 1.755 -12.799 -8.660 1.00 0.00 N ATOM 1706 CZ ARG A 111 2.903 -13.052 -9.280 1.00 0.00 C ATOM 1707 NH1 ARG A 111 3.129 -14.250 -9.801 1.00 0.00 N ATOM 1708 NH2 ARG A 111 3.827 -12.106 -9.378 1.00 0.00 N ATOM 0 H ARG A 111 -3.182 -13.018 -5.805 1.00 0.00 H new ATOM 0 HA ARG A 111 -0.942 -11.728 -4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.664 -11.994 -6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.264 -13.574 -5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.297 -13.956 -7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -0.924 -12.367 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.060 -14.646 -7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.368 -14.129 -9.489 1.00 0.00 H new ATOM 0 HE ARG A 111 1.615 -11.867 -8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.421 -14.980 -9.727 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.011 -14.441 -10.276 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.657 -11.184 -8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.708 -12.301 -9.854 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.220 -10.809 -6.311 1.00 0.00 N ATOM 1723 CA GLY A 112 -3.879 -9.734 -7.029 1.00 0.00 C ATOM 1724 C GLY A 112 -4.885 -8.991 -6.181 1.00 0.00 C ATOM 1725 O GLY A 112 -5.837 -8.410 -6.700 1.00 0.00 O ATOM 0 H GLY A 112 -3.841 -11.407 -5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.128 -9.032 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.382 -10.144 -7.905 1.00 0.00 H new ATOM 1729 N VAL A 113 -4.650 -8.997 -4.873 1.00 0.00 N ATOM 1730 CA VAL A 113 -5.519 -8.321 -3.907 1.00 0.00 C ATOM 1731 C VAL A 113 -6.948 -8.838 -4.003 1.00 0.00 C ATOM 1732 O VAL A 113 -7.484 -9.029 -5.094 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.531 -6.790 -4.104 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -5.481 -6.057 -2.776 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -4.378 -6.362 -4.986 1.00 0.00 C ATOM 0 H VAL A 113 -3.852 -9.470 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.110 -8.542 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.468 -6.526 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.491 -4.982 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.347 -6.334 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.569 -6.329 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.401 -5.280 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.436 -6.652 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.465 -6.845 -5.959 1.00 0.00 H new ATOM 1745 N GLY A 114 -7.564 -9.063 -2.859 1.00 0.00 N ATOM 1746 CA GLY A 114 -8.919 -9.555 -2.879 1.00 0.00 C ATOM 1747 C GLY A 114 -9.881 -8.602 -2.197 1.00 0.00 C ATOM 1748 O GLY A 114 -9.540 -7.996 -1.182 1.00 0.00 O ATOM 0 H GLY A 114 -7.160 -8.918 -1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.233 -9.710 -3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.959 -10.526 -2.385 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.082 -8.467 -2.744 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.098 -7.595 -2.164 1.00 0.00 C ATOM 1754 C TRP A 115 -13.058 -8.404 -1.295 1.00 0.00 C ATOM 1755 O TRP A 115 -13.376 -9.550 -1.611 1.00 0.00 O ATOM 1756 CB TRP A 115 -12.891 -6.861 -3.252 1.00 0.00 C ATOM 1757 CG TRP A 115 -12.698 -5.374 -3.247 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.410 -4.584 -4.321 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -12.781 -4.495 -2.117 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.316 -3.270 -3.929 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.535 -3.191 -2.584 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.039 -4.681 -0.757 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.541 -2.084 -1.742 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.043 -3.581 0.077 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -12.797 -2.296 -0.418 1.00 0.00 C ATOM 0 H TRP A 115 -11.378 -8.951 -3.591 1.00 0.00 H new ATOM 0 HA TRP A 115 -11.585 -6.855 -1.550 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -12.599 -7.252 -4.227 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -13.951 -7.080 -3.125 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.275 -4.939 -5.332 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.115 -2.481 -4.544 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.232 -5.668 -0.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.350 -1.091 -2.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.240 -3.715 1.130 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -12.810 -1.456 0.260 1.00 0.00 H new ATOM 1776 N SER A 116 -13.515 -7.802 -0.203 1.00 0.00 N ATOM 1777 CA SER A 116 -14.441 -8.468 0.704 1.00 0.00 C ATOM 1778 C SER A 116 -15.876 -8.375 0.190 1.00 0.00 C ATOM 1779 O SER A 116 -16.622 -9.353 0.229 1.00 0.00 O ATOM 1780 CB SER A 116 -14.346 -7.854 2.101 1.00 0.00 C ATOM 1781 OG SER A 116 -13.041 -8.000 2.635 1.00 0.00 O ATOM 0 H SER A 116 -13.259 -6.855 0.075 1.00 0.00 H new ATOM 0 HA SER A 116 -14.164 -9.521 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.607 -6.797 2.055 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.068 -8.333 2.762 1.00 0.00 H new ATOM 0 HG SER A 116 -12.519 -7.192 2.448 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.255 -7.193 -0.295 1.00 0.00 N ATOM 1788 CA HIS A 117 -17.604 -6.974 -0.813 1.00 0.00 C ATOM 1789 C HIS A 117 -17.726 -5.594 -1.453 1.00 0.00 C ATOM 1790 O HIS A 117 -17.199 -4.614 -0.929 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.628 -7.098 0.312 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.049 -7.077 -0.160 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -20.723 -8.209 -0.570 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -20.926 -6.053 -0.286 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -21.952 -7.881 -0.929 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.100 -6.579 -0.766 1.00 0.00 N ATOM 0 H HIS A 117 -15.648 -6.374 -0.340 1.00 0.00 H new ATOM 0 HA HIS A 117 -17.798 -7.733 -1.571 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.448 -8.027 0.854 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.478 -6.282 1.019 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.737 -5.016 -0.052 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -22.707 -8.562 -1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -22.949 -6.050 -0.965 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.421 -5.497 -2.599 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.614 -4.228 -3.295 1.00 0.00 C ATOM 1807 C PRO A 118 -19.677 -3.358 -2.618 1.00 0.00 C ATOM 1808 O PRO A 118 -19.879 -3.441 -1.407 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.072 -4.642 -4.703 1.00 0.00 C ATOM 1810 CG PRO A 118 -18.993 -6.136 -4.745 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.054 -6.605 -3.321 1.00 0.00 C ATOM 0 HA PRO A 118 -17.706 -3.626 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.089 -4.300 -4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.434 -4.197 -5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.816 -6.552 -5.326 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.069 -6.463 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.080 -6.772 -2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.517 -7.543 -3.178 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.351 -2.519 -3.408 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.389 -1.639 -2.893 1.00 0.00 C ATOM 1821 C LEU A 119 -22.516 -2.443 -2.237 1.00 0.00 C ATOM 1822 O LEU A 119 -22.792 -3.574 -2.635 1.00 0.00 O ATOM 1823 CB LEU A 119 -21.951 -0.778 -4.030 1.00 0.00 C ATOM 1824 CG LEU A 119 -20.910 -0.087 -4.926 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -19.805 0.539 -4.089 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.328 -1.062 -5.930 1.00 0.00 C ATOM 0 H LEU A 119 -20.191 -2.435 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 119 -20.947 -0.993 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.582 -1.407 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.594 -0.012 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.416 0.707 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.081 1.022 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.235 1.280 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.307 -0.236 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.594 -0.549 -6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -19.845 -1.884 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.126 -1.455 -6.560 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.182 -1.861 -1.219 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.275 -2.516 -0.498 1.00 0.00 C ATOM 1840 C PRO A 120 -25.608 -2.438 -1.239 1.00 0.00 C ATOM 1841 O PRO A 120 -25.656 -2.124 -2.428 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.360 -1.736 0.826 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.284 -0.696 0.770 1.00 0.00 C ATOM 1844 CD PRO A 120 -22.922 -0.529 -0.676 1.00 0.00 C ATOM 0 HA PRO A 120 -24.083 -3.582 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.341 -1.275 0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.215 -2.400 1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -23.634 0.246 1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -22.416 -1.005 1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.530 0.234 -1.162 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -21.880 -0.235 -0.803 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.688 -2.726 -0.516 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.032 -2.700 -1.087 1.00 0.00 C ATOM 1854 C GLN A 121 -28.835 -1.511 -0.563 1.00 0.00 C ATOM 1855 O GLN A 121 -29.031 -1.368 0.643 1.00 0.00 O ATOM 1856 CB GLN A 121 -28.771 -3.997 -0.752 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.018 -4.224 -1.589 1.00 0.00 C ATOM 1858 CD GLN A 121 -29.710 -4.842 -2.939 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -28.681 -5.680 -2.982 1.00 0.00 O flip ATOM 1860 NE2 GLN A 121 -30.395 -4.578 -3.927 1.00 0.00 N flip ATOM 0 H GLN A 121 -26.658 -2.981 0.471 1.00 0.00 H new ATOM 0 HA GLN A 121 -27.932 -2.601 -2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.092 -4.838 -0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.049 -3.984 0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -30.703 -4.873 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -30.530 -3.273 -1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -31.177 -3.928 -3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -30.181 -5.010 -4.826 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.297 -0.662 -1.477 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.091 0.497 -1.083 1.00 0.00 C ATOM 1871 C CYS A 122 -31.571 0.258 -1.376 1.00 0.00 C ATOM 1872 O CYS A 122 -31.994 0.240 -2.533 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.599 1.756 -1.797 1.00 0.00 C ATOM 1874 SG CYS A 122 -27.973 2.349 -1.221 1.00 0.00 S ATOM 0 H CYS A 122 -29.138 -0.752 -2.481 1.00 0.00 H new ATOM 0 HA CYS A 122 -29.972 0.644 -0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.543 1.556 -2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.333 2.550 -1.659 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.351 0.074 -0.313 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.785 -0.177 -0.443 1.00 0.00 C ATOM 1881 C GLU A 123 -34.581 0.833 0.377 1.00 0.00 C ATOM 1882 O GLU A 123 -34.169 1.245 1.461 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.116 -1.600 0.013 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.591 -1.954 -0.105 1.00 0.00 C ATOM 1885 CD GLU A 123 -35.891 -3.367 0.354 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -35.778 -4.296 -0.472 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.238 -3.543 1.541 1.00 0.00 O ATOM 0 H GLU A 123 -32.014 0.094 0.649 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.061 -0.068 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.534 -2.306 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -33.805 -1.721 1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.178 -1.252 0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -35.907 -1.838 -1.142 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.735 1.213 -0.166 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.605 2.196 0.473 1.00 0.00 C ATOM 1896 C ILE A 124 -37.193 1.662 1.775 1.00 0.00 C ATOM 1897 O ILE A 124 -37.427 0.462 1.919 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.755 2.609 -0.471 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.558 3.765 0.128 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.663 1.422 -0.756 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -37.839 5.095 0.076 1.00 0.00 C ATOM 0 H ILE A 124 -36.090 0.853 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.989 3.067 0.698 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.320 2.946 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.505 3.853 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -38.796 3.531 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.468 1.731 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.086 0.627 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.087 1.056 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -38.469 5.867 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -36.905 5.026 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -37.624 5.352 -0.961 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.425 2.566 2.722 1.00 0.00 N ATOM 1914 CA LEU A 125 -37.991 2.199 4.015 1.00 0.00 C ATOM 1915 C LEU A 125 -39.503 2.004 3.913 1.00 0.00 C ATOM 1916 O LEU A 125 -40.275 2.918 4.202 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.677 3.278 5.056 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.191 3.486 5.354 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -35.988 4.728 6.208 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.609 2.263 6.046 1.00 0.00 C ATOM 0 H LEU A 125 -37.229 3.561 2.617 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.540 1.257 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.098 4.223 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.185 3.021 5.986 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.667 3.628 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -34.925 4.861 6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.368 5.601 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -36.525 4.614 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.551 2.429 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.137 2.090 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.721 1.392 5.401 1.00 0.00 H new ATOM 1932 N GLU A 126 -39.915 0.809 3.495 1.00 0.00 N ATOM 1933 CA GLU A 126 -41.334 0.488 3.352 1.00 0.00 C ATOM 1934 C GLU A 126 -42.037 1.492 2.443 1.00 0.00 C ATOM 1935 O GLU A 126 -42.513 2.532 2.900 1.00 0.00 O ATOM 1936 CB GLU A 126 -42.015 0.459 4.723 1.00 0.00 C ATOM 1937 CG GLU A 126 -43.496 0.117 4.661 1.00 0.00 C ATOM 1938 CD GLU A 126 -43.758 -1.234 4.024 1.00 0.00 C ATOM 1939 OE1 GLU A 126 -43.773 -2.244 4.759 1.00 0.00 O ATOM 1940 OE2 GLU A 126 -43.946 -1.282 2.790 1.00 0.00 O ATOM 0 H GLU A 126 -39.285 0.045 3.249 1.00 0.00 H new ATOM 0 HA GLU A 126 -41.409 -0.499 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -41.509 -0.270 5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -41.895 1.432 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -43.909 0.125 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -44.020 0.888 4.096 1.00 0.00 H new ATOM 1947 N HIS A 127 -42.100 1.173 1.152 1.00 0.00 N ATOM 1948 CA HIS A 127 -42.745 2.047 0.177 1.00 0.00 C ATOM 1949 C HIS A 127 -42.806 1.383 -1.195 1.00 0.00 C ATOM 1950 O HIS A 127 -41.844 0.753 -1.635 1.00 0.00 O ATOM 1951 CB HIS A 127 -41.994 3.378 0.081 1.00 0.00 C ATOM 1952 CG HIS A 127 -42.510 4.285 -0.992 1.00 0.00 C ATOM 1953 ND1 HIS A 127 -41.783 4.606 -2.119 1.00 0.00 N ATOM 1954 CD2 HIS A 127 -43.689 4.942 -1.105 1.00 0.00 C ATOM 1955 CE1 HIS A 127 -42.491 5.424 -2.878 1.00 0.00 C ATOM 1956 NE2 HIS A 127 -43.650 5.642 -2.287 1.00 0.00 N ATOM 0 H HIS A 127 -41.712 0.316 0.758 1.00 0.00 H new ATOM 0 HA HIS A 127 -43.765 2.235 0.513 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -42.059 3.891 1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -40.939 3.177 -0.102 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -40.846 4.265 -2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -44.506 4.920 -0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -42.174 5.843 -3.822 1.00 0.00 H new ATOM 1965 N HIS A 128 -43.945 1.529 -1.868 1.00 0.00 N ATOM 1966 CA HIS A 128 -44.134 0.945 -3.193 1.00 0.00 C ATOM 1967 C HIS A 128 -44.942 1.876 -4.092 1.00 0.00 C ATOM 1968 O HIS A 128 -45.150 1.586 -5.270 1.00 0.00 O ATOM 1969 CB HIS A 128 -44.837 -0.410 -3.082 1.00 0.00 C ATOM 1970 CG HIS A 128 -44.049 -1.435 -2.327 1.00 0.00 C ATOM 1971 ND1 HIS A 128 -44.420 -1.907 -1.086 1.00 0.00 N ATOM 1972 CD2 HIS A 128 -42.902 -2.083 -2.646 1.00 0.00 C ATOM 1973 CE1 HIS A 128 -43.537 -2.801 -0.674 1.00 0.00 C ATOM 1974 NE2 HIS A 128 -42.608 -2.925 -1.603 1.00 0.00 N ATOM 0 H HIS A 128 -44.751 2.047 -1.517 1.00 0.00 H new ATOM 0 HA HIS A 128 -43.150 0.802 -3.640 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -45.800 -0.271 -2.591 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -45.041 -0.787 -4.084 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -42.327 -1.960 -3.552 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -43.570 -3.338 0.263 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -41.801 -3.547 -1.554 1.00 0.00 H new ATOM 1983 N HIS A 129 -45.396 2.993 -3.530 1.00 0.00 N ATOM 1984 CA HIS A 129 -46.181 3.965 -4.284 1.00 0.00 C ATOM 1985 C HIS A 129 -45.409 4.452 -5.507 1.00 0.00 C ATOM 1986 O HIS A 129 -44.475 5.245 -5.389 1.00 0.00 O ATOM 1987 CB HIS A 129 -46.554 5.153 -3.393 1.00 0.00 C ATOM 1988 CG HIS A 129 -47.422 6.167 -4.073 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -46.917 7.269 -4.734 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -48.769 6.245 -4.192 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -47.916 7.980 -5.227 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -49.049 7.380 -4.912 1.00 0.00 N ATOM 0 H HIS A 129 -45.234 3.247 -2.556 1.00 0.00 H new ATOM 0 HA HIS A 129 -47.094 3.476 -4.623 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -47.069 4.783 -2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -45.641 5.640 -3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -49.489 5.545 -3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -47.822 8.896 -5.791 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -49.982 7.707 -5.163 1.00 0.00 H new ATOM 2001 N HIS A 130 -45.807 3.969 -6.680 1.00 0.00 N ATOM 2002 CA HIS A 130 -45.153 4.349 -7.928 1.00 0.00 C ATOM 2003 C HIS A 130 -46.002 3.944 -9.130 1.00 0.00 C ATOM 2004 O HIS A 130 -46.385 2.782 -9.267 1.00 0.00 O ATOM 2005 CB HIS A 130 -43.771 3.699 -8.022 1.00 0.00 C ATOM 2006 CG HIS A 130 -43.095 3.912 -9.340 1.00 0.00 C ATOM 2007 ND1 HIS A 130 -43.099 2.971 -10.349 1.00 0.00 N ATOM 2008 CD2 HIS A 130 -42.390 4.966 -9.816 1.00 0.00 C ATOM 2009 CE1 HIS A 130 -42.427 3.436 -11.386 1.00 0.00 C ATOM 2010 NE2 HIS A 130 -41.986 4.644 -11.089 1.00 0.00 N ATOM 0 H HIS A 130 -46.580 3.313 -6.793 1.00 0.00 H new ATOM 0 HA HIS A 130 -45.038 5.433 -7.935 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -43.137 4.097 -7.230 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -43.870 2.628 -7.843 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -42.184 5.888 -9.292 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -42.266 2.916 -12.319 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -41.435 5.242 -11.705 1.00 0.00 H new ATOM 2019 N HIS A 131 -46.290 4.909 -9.998 1.00 0.00 N ATOM 2020 CA HIS A 131 -47.090 4.649 -11.189 1.00 0.00 C ATOM 2021 C HIS A 131 -46.774 5.658 -12.288 1.00 0.00 C ATOM 2022 O HIS A 131 -46.507 5.281 -13.430 1.00 0.00 O ATOM 2023 CB HIS A 131 -48.581 4.696 -10.847 1.00 0.00 C ATOM 2024 CG HIS A 131 -49.468 4.312 -11.990 1.00 0.00 C ATOM 2025 ND1 HIS A 131 -49.477 3.049 -12.544 1.00 0.00 N ATOM 2026 CD2 HIS A 131 -50.381 5.032 -12.685 1.00 0.00 C ATOM 2027 CE1 HIS A 131 -50.355 3.010 -13.530 1.00 0.00 C ATOM 2028 NE2 HIS A 131 -50.917 4.200 -13.636 1.00 0.00 N ATOM 0 H HIS A 131 -45.982 5.876 -9.899 1.00 0.00 H new ATOM 0 HA HIS A 131 -46.840 3.653 -11.555 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -48.774 4.028 -10.007 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -48.839 5.703 -10.520 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -50.639 6.068 -12.521 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -50.576 2.150 -14.145 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -51.633 4.459 -14.314 1.00 0.00 H new ATOM 2037 N HIS A 132 -46.805 6.939 -11.937 1.00 0.00 N ATOM 2038 CA HIS A 132 -46.521 8.001 -12.895 1.00 0.00 C ATOM 2039 C HIS A 132 -45.018 8.168 -13.095 1.00 0.00 C ATOM 2040 O HIS A 132 -44.466 7.509 -14.002 1.00 0.00 O ATOM 2041 CB HIS A 132 -47.136 9.321 -12.423 1.00 0.00 C ATOM 2042 CG HIS A 132 -48.629 9.283 -12.317 1.00 0.00 C ATOM 2043 ND1 HIS A 132 -49.299 9.308 -11.112 1.00 0.00 N ATOM 2044 CD2 HIS A 132 -49.584 9.225 -13.276 1.00 0.00 C ATOM 2045 CE1 HIS A 132 -50.602 9.265 -11.335 1.00 0.00 C ATOM 2046 NE2 HIS A 132 -50.799 9.216 -12.638 1.00 0.00 N ATOM 2047 OXT HIS A 132 -44.404 8.954 -12.343 1.00 0.00 O ATOM 0 H HIS A 132 -47.024 7.267 -10.996 1.00 0.00 H new ATOM 0 HA HIS A 132 -46.966 7.722 -13.850 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -46.718 9.580 -11.450 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -46.849 10.113 -13.114 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -49.420 9.192 -14.343 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -51.373 9.269 -10.579 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -51.709 9.178 -13.098 1.00 0.00 H new TER 2056 HIS A 132