USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 838 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 50 TYR OH : rot 179:sc= 0.84 USER MOD Set 1.2: A 59 GLN : amide:sc= 0.487 K(o=1.3,f=-5.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 168:sc= 1.27 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0794 X(o=-0.079,f=-0.079) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.503 K(o=0.5,f=-0.048) USER MOD Single : A 32 THR OG1 : rot 160:sc= 0.0159 USER MOD Single : A 34 SER OG : rot 91:sc= 0.108 USER MOD Single : A 35 THR OG1 : rot -160:sc= 0.0505 USER MOD Single : A 41 SER OG : rot 171:sc= -0.0146 USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 1.23 (180deg=-0.344) USER MOD Single : A 57 GLN : amide:sc= -0.162 K(o=-0.16,f=-3.7!) USER MOD Single : A 60 HIS : no HD1:sc= -1.92! K(o=-1.9!,f=-0.87) USER MOD Single : A 64 SER OG : rot 180:sc= 0.149 USER MOD Single : A 65 ASN : amide:sc= 0.901 K(o=0.9,f=-0.028) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-3.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00386 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 1:sc= 0.134 USER MOD Single : A 83 GLN : amide:sc= -2.39! C(o=-2.4!,f=-2.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0.209 K(o=0.21,f=-0.77) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 95 SER OG : rot -144:sc= -0.234 USER MOD Single : A 98 SER OG : rot -50:sc= 0.734 USER MOD Single : A 102 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.23) USER MOD Single : A 104 THR OG1 : rot -98:sc= 1.24 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.649 -1.916 2.926 1.00 8.29 N ATOM 2 CA GLY A 1 26.919 -3.190 3.139 1.00 7.86 C ATOM 3 C GLY A 1 27.091 -4.142 1.973 1.00 7.10 C ATOM 4 O GLY A 1 28.208 -4.555 1.670 1.00 7.08 O ATOM 0 H1 GLY A 1 27.506 -1.293 3.746 1.00 8.29 H new ATOM 0 H2 GLY A 1 28.664 -2.112 2.813 1.00 8.29 H new ATOM 0 H3 GLY A 1 27.289 -1.449 2.069 1.00 8.29 H new ATOM 0 HA2 GLY A 1 27.278 -3.666 4.052 1.00 7.86 H new ATOM 0 HA3 GLY A 1 25.859 -2.981 3.284 1.00 7.86 H new ATOM 10 N PRO A 2 26.001 -4.514 1.292 1.00 6.73 N ATOM 11 CA PRO A 2 26.052 -5.442 0.169 1.00 6.29 C ATOM 12 C PRO A 2 26.271 -4.735 -1.166 1.00 5.85 C ATOM 13 O PRO A 2 25.644 -5.085 -2.169 1.00 6.07 O ATOM 14 CB PRO A 2 24.666 -6.076 0.215 1.00 6.38 C ATOM 15 CG PRO A 2 23.773 -4.989 0.717 1.00 6.76 C ATOM 16 CD PRO A 2 24.619 -4.092 1.587 1.00 7.06 C ATOM 0 HA PRO A 2 26.879 -6.148 0.245 1.00 6.29 H new ATOM 0 HB2 PRO A 2 24.355 -6.421 -0.771 1.00 6.38 H new ATOM 0 HB3 PRO A 2 24.648 -6.942 0.877 1.00 6.38 H new ATOM 0 HG2 PRO A 2 23.344 -4.428 -0.113 1.00 6.76 H new ATOM 0 HG3 PRO A 2 22.941 -5.405 1.285 1.00 6.76 H new ATOM 0 HD2 PRO A 2 24.463 -3.040 1.348 1.00 7.06 H new ATOM 0 HD3 PRO A 2 24.379 -4.218 2.643 1.00 7.06 H new ATOM 24 N LEU A 3 27.124 -3.709 -1.158 1.00 5.64 N ATOM 25 CA LEU A 3 27.389 -2.903 -2.349 1.00 5.68 C ATOM 26 C LEU A 3 26.094 -2.285 -2.867 1.00 5.29 C ATOM 27 O LEU A 3 25.785 -2.349 -4.060 1.00 5.56 O ATOM 28 CB LEU A 3 28.057 -3.745 -3.442 1.00 6.31 C ATOM 29 CG LEU A 3 29.351 -4.443 -3.020 1.00 6.71 C ATOM 30 CD1 LEU A 3 29.599 -5.669 -3.883 1.00 7.00 C ATOM 31 CD2 LEU A 3 30.527 -3.482 -3.101 1.00 7.22 C ATOM 0 H LEU A 3 27.646 -3.416 -0.332 1.00 5.64 H new ATOM 0 HA LEU A 3 28.074 -2.101 -2.074 1.00 5.68 H new ATOM 0 HB2 LEU A 3 27.348 -4.500 -3.782 1.00 6.31 H new ATOM 0 HB3 LEU A 3 28.271 -3.102 -4.296 1.00 6.31 H new ATOM 0 HG LEU A 3 29.247 -4.768 -1.985 1.00 6.71 H new ATOM 0 HD11 LEU A 3 30.524 -6.154 -3.569 1.00 7.00 H new ATOM 0 HD12 LEU A 3 28.768 -6.366 -3.772 1.00 7.00 H new ATOM 0 HD13 LEU A 3 29.683 -5.368 -4.927 1.00 7.00 H new ATOM 0 HD21 LEU A 3 31.439 -3.996 -2.797 1.00 7.22 H new ATOM 0 HD22 LEU A 3 30.636 -3.126 -4.125 1.00 7.22 H new ATOM 0 HD23 LEU A 3 30.351 -2.634 -2.439 1.00 7.22 H new ATOM 43 N GLY A 4 25.311 -1.749 -1.944 1.00 4.99 N ATOM 44 CA GLY A 4 24.028 -1.180 -2.287 1.00 4.95 C ATOM 45 C GLY A 4 23.106 -1.127 -1.089 1.00 4.12 C ATOM 46 O GLY A 4 23.530 -1.394 0.038 1.00 4.21 O ATOM 0 H GLY A 4 25.546 -1.699 -0.953 1.00 4.99 H new ATOM 0 HA2 GLY A 4 24.169 -0.174 -2.683 1.00 4.95 H new ATOM 0 HA3 GLY A 4 23.566 -1.772 -3.077 1.00 4.95 H new ATOM 50 N SER A 5 21.856 -0.773 -1.318 1.00 3.64 N ATOM 51 CA SER A 5 20.885 -0.683 -0.245 1.00 3.04 C ATOM 52 C SER A 5 20.407 -2.071 0.171 1.00 2.18 C ATOM 53 O SER A 5 20.584 -3.049 -0.558 1.00 2.49 O ATOM 54 CB SER A 5 19.702 0.167 -0.695 1.00 3.40 C ATOM 55 OG SER A 5 19.887 0.627 -2.024 1.00 4.18 O ATOM 0 H SER A 5 21.488 -0.542 -2.241 1.00 3.64 H new ATOM 0 HA SER A 5 21.359 -0.215 0.617 1.00 3.04 H new ATOM 0 HB2 SER A 5 18.784 -0.418 -0.632 1.00 3.40 H new ATOM 0 HB3 SER A 5 19.584 1.018 -0.024 1.00 3.40 H new ATOM 0 HG SER A 5 19.045 0.996 -2.363 1.00 4.18 H new ATOM 61 N VAL A 6 19.768 -2.142 1.326 1.00 1.77 N ATOM 62 CA VAL A 6 19.212 -3.394 1.817 1.00 1.55 C ATOM 63 C VAL A 6 17.698 -3.394 1.641 1.00 1.64 C ATOM 64 O VAL A 6 17.146 -2.481 1.028 1.00 2.57 O ATOM 65 CB VAL A 6 19.559 -3.627 3.301 1.00 2.21 C ATOM 66 CG1 VAL A 6 20.981 -4.142 3.437 1.00 2.77 C ATOM 67 CG2 VAL A 6 19.363 -2.354 4.113 1.00 2.87 C ATOM 0 H VAL A 6 19.620 -1.345 1.945 1.00 1.77 H new ATOM 0 HA VAL A 6 19.653 -4.204 1.235 1.00 1.55 H new ATOM 0 HB VAL A 6 18.880 -4.382 3.697 1.00 2.21 H new ATOM 0 HG11 VAL A 6 21.211 -4.302 4.490 1.00 2.77 H new ATOM 0 HG12 VAL A 6 21.080 -5.084 2.897 1.00 2.77 H new ATOM 0 HG13 VAL A 6 21.674 -3.411 3.021 1.00 2.77 H new ATOM 0 HG21 VAL A 6 19.615 -2.545 5.156 1.00 2.87 H new ATOM 0 HG22 VAL A 6 20.011 -1.569 3.722 1.00 2.87 H new ATOM 0 HG23 VAL A 6 18.323 -2.034 4.043 1.00 2.87 H new ATOM 77 N LYS A 7 17.021 -4.378 2.218 1.00 1.09 N ATOM 78 CA LYS A 7 15.571 -4.406 2.167 1.00 1.10 C ATOM 79 C LYS A 7 15.015 -3.365 3.132 1.00 0.91 C ATOM 80 O LYS A 7 15.467 -3.266 4.279 1.00 0.98 O ATOM 81 CB LYS A 7 15.026 -5.804 2.495 1.00 1.37 C ATOM 82 CG LYS A 7 15.458 -6.341 3.847 1.00 1.06 C ATOM 83 CD LYS A 7 14.261 -6.727 4.700 1.00 1.05 C ATOM 84 CE LYS A 7 14.385 -8.147 5.227 1.00 1.34 C ATOM 85 NZ LYS A 7 15.292 -8.224 6.402 1.00 2.06 N ATOM 0 H LYS A 7 17.448 -5.156 2.720 1.00 1.09 H new ATOM 0 HA LYS A 7 15.250 -4.167 1.153 1.00 1.10 H new ATOM 0 HB2 LYS A 7 13.937 -5.774 2.460 1.00 1.37 H new ATOM 0 HB3 LYS A 7 15.351 -6.499 1.720 1.00 1.37 H new ATOM 0 HG2 LYS A 7 16.101 -7.210 3.706 1.00 1.06 H new ATOM 0 HG3 LYS A 7 16.049 -5.587 4.367 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.171 -6.034 5.537 1.00 1.05 H new ATOM 0 HD3 LYS A 7 13.349 -6.635 4.111 1.00 1.05 H new ATOM 0 HE2 LYS A 7 13.399 -8.519 5.505 1.00 1.34 H new ATOM 0 HE3 LYS A 7 14.760 -8.797 4.436 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 15.350 -9.209 6.732 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 16.240 -7.893 6.131 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 14.921 -7.624 7.166 1.00 2.06 H new ATOM 99 N PRO A 8 14.159 -2.468 2.628 1.00 0.74 N ATOM 100 CA PRO A 8 13.642 -1.349 3.411 1.00 0.60 C ATOM 101 C PRO A 8 12.800 -1.814 4.587 1.00 0.52 C ATOM 102 O PRO A 8 12.323 -2.955 4.619 1.00 0.60 O ATOM 103 CB PRO A 8 12.786 -0.562 2.414 1.00 0.61 C ATOM 104 CG PRO A 8 13.286 -0.972 1.074 1.00 0.84 C ATOM 105 CD PRO A 8 13.730 -2.398 1.222 1.00 0.81 C ATOM 0 HA PRO A 8 14.446 -0.757 3.849 1.00 0.60 H new ATOM 0 HB2 PRO A 8 11.728 -0.797 2.530 1.00 0.61 H new ATOM 0 HB3 PRO A 8 12.892 0.512 2.564 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.504 -0.882 0.320 1.00 0.84 H new ATOM 0 HG3 PRO A 8 14.112 -0.337 0.753 1.00 0.84 H new ATOM 0 HD2 PRO A 8 12.920 -3.097 1.012 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.544 -2.640 0.539 1.00 0.81 H new ATOM 113 N ASP A 9 12.569 -0.911 5.520 1.00 0.44 N ATOM 114 CA ASP A 9 11.749 -1.212 6.677 1.00 0.48 C ATOM 115 C ASP A 9 10.291 -0.963 6.333 1.00 0.41 C ATOM 116 O ASP A 9 10.008 -0.178 5.427 1.00 0.41 O ATOM 117 CB ASP A 9 12.177 -0.331 7.854 1.00 0.61 C ATOM 118 CG ASP A 9 12.013 -1.013 9.196 1.00 1.02 C ATOM 119 OD1 ASP A 9 12.679 -2.045 9.429 1.00 1.19 O ATOM 120 OD2 ASP A 9 11.214 -0.521 10.025 1.00 1.53 O ATOM 0 H ASP A 9 12.939 0.039 5.499 1.00 0.44 H new ATOM 0 HA ASP A 9 11.876 -2.257 6.959 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.220 -0.043 7.724 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.590 0.587 7.845 1.00 0.61 H new ATOM 125 N PRO A 10 9.350 -1.668 6.990 1.00 0.56 N ATOM 126 CA PRO A 10 7.921 -1.486 6.746 1.00 0.74 C ATOM 127 C PRO A 10 7.549 -0.010 6.668 1.00 0.67 C ATOM 128 O PRO A 10 7.930 0.772 7.544 1.00 0.97 O ATOM 129 CB PRO A 10 7.283 -2.131 7.973 1.00 1.05 C ATOM 130 CG PRO A 10 8.227 -3.216 8.357 1.00 1.12 C ATOM 131 CD PRO A 10 9.602 -2.729 7.986 1.00 0.78 C ATOM 0 HA PRO A 10 7.596 -1.919 5.800 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.158 -1.410 8.781 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.294 -2.528 7.744 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.164 -3.427 9.425 1.00 1.12 H new ATOM 0 HG3 PRO A 10 7.988 -4.142 7.835 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.136 -2.343 8.854 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.210 -3.531 7.569 1.00 0.78 H new ATOM 139 N PRO A 11 6.905 0.407 5.562 1.00 0.37 N ATOM 140 CA PRO A 11 6.546 1.805 5.322 1.00 0.38 C ATOM 141 C PRO A 11 5.870 2.438 6.534 1.00 0.28 C ATOM 142 O PRO A 11 5.214 1.755 7.323 1.00 0.35 O ATOM 143 CB PRO A 11 5.583 1.746 4.124 1.00 0.50 C ATOM 144 CG PRO A 11 5.372 0.293 3.833 1.00 0.64 C ATOM 145 CD PRO A 11 6.542 -0.437 4.422 1.00 0.41 C ATOM 0 HA PRO A 11 7.424 2.422 5.130 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.639 2.238 4.358 1.00 0.50 H new ATOM 0 HB3 PRO A 11 6.004 2.260 3.260 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.437 -0.058 4.270 1.00 0.64 H new ATOM 0 HG3 PRO A 11 5.307 0.118 2.759 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.274 -1.446 4.734 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.362 -0.530 3.710 1.00 0.41 H new ATOM 153 N GLU A 12 6.056 3.733 6.698 1.00 0.28 N ATOM 154 CA GLU A 12 5.506 4.432 7.843 1.00 0.30 C ATOM 155 C GLU A 12 4.360 5.330 7.418 1.00 0.28 C ATOM 156 O GLU A 12 4.244 5.680 6.246 1.00 0.31 O ATOM 157 CB GLU A 12 6.593 5.253 8.537 1.00 0.47 C ATOM 158 CG GLU A 12 7.131 4.601 9.800 1.00 0.98 C ATOM 159 CD GLU A 12 6.172 4.701 10.974 1.00 1.58 C ATOM 160 OE1 GLU A 12 5.085 5.304 10.820 1.00 2.09 O ATOM 161 OE2 GLU A 12 6.506 4.180 12.061 1.00 2.11 O ATOM 0 H GLU A 12 6.583 4.322 6.054 1.00 0.28 H new ATOM 0 HA GLU A 12 5.124 3.693 8.547 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.416 5.413 7.841 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.192 6.235 8.787 1.00 0.47 H new ATOM 0 HG2 GLU A 12 7.342 3.551 9.599 1.00 0.98 H new ATOM 0 HG3 GLU A 12 8.077 5.070 10.070 1.00 0.98 H new ATOM 168 N ASN A 13 3.522 5.694 8.381 1.00 0.33 N ATOM 169 CA ASN A 13 2.376 6.574 8.141 1.00 0.37 C ATOM 170 C ASN A 13 1.456 6.012 7.058 1.00 0.32 C ATOM 171 O ASN A 13 0.866 6.763 6.279 1.00 0.35 O ATOM 172 CB ASN A 13 2.851 7.977 7.747 1.00 0.45 C ATOM 173 CG ASN A 13 2.071 9.065 8.451 1.00 0.62 C ATOM 174 OD1 ASN A 13 2.111 9.178 9.677 1.00 0.82 O ATOM 175 ND2 ASN A 13 1.349 9.865 7.685 1.00 1.01 N ATOM 0 H ASN A 13 3.614 5.390 9.350 1.00 0.33 H new ATOM 0 HA ASN A 13 1.808 6.636 9.069 1.00 0.37 H new ATOM 0 HB2 ASN A 13 3.910 8.080 7.985 1.00 0.45 H new ATOM 0 HB3 ASN A 13 2.753 8.102 6.669 1.00 0.45 H new ATOM 0 HD21 ASN A 13 0.796 10.612 8.106 1.00 1.01 H new ATOM 0 HD22 ASN A 13 1.345 9.736 6.673 1.00 1.01 H new ATOM 182 N VAL A 14 1.332 4.691 7.019 1.00 0.30 N ATOM 183 CA VAL A 14 0.496 4.024 6.033 1.00 0.29 C ATOM 184 C VAL A 14 -0.952 4.000 6.493 1.00 0.32 C ATOM 185 O VAL A 14 -1.308 3.265 7.418 1.00 0.47 O ATOM 186 CB VAL A 14 0.965 2.579 5.770 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.569 2.133 4.375 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.468 2.463 5.954 1.00 0.69 C ATOM 0 H VAL A 14 1.804 4.058 7.665 1.00 0.30 H new ATOM 0 HA VAL A 14 0.581 4.590 5.105 1.00 0.29 H new ATOM 0 HB VAL A 14 0.476 1.926 6.493 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.909 1.111 4.210 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.515 2.175 4.274 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.028 2.792 3.638 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.780 1.436 5.764 1.00 0.69 H new ATOM 0 HG22 VAL A 14 2.973 3.130 5.255 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.732 2.739 6.975 1.00 0.69 H new ATOM 198 N VAL A 15 -1.760 4.867 5.910 1.00 0.27 N ATOM 199 CA VAL A 15 -3.149 4.998 6.313 1.00 0.35 C ATOM 200 C VAL A 15 -4.066 5.124 5.101 1.00 0.34 C ATOM 201 O VAL A 15 -3.801 5.903 4.180 1.00 0.39 O ATOM 202 CB VAL A 15 -3.359 6.220 7.239 1.00 0.43 C ATOM 203 CG1 VAL A 15 -2.910 5.897 8.656 1.00 1.34 C ATOM 204 CG2 VAL A 15 -2.623 7.445 6.710 1.00 1.48 C ATOM 0 H VAL A 15 -1.478 5.492 5.155 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.403 4.092 6.862 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.424 6.451 7.255 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.065 6.767 9.294 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -3.491 5.058 9.039 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -1.852 5.634 8.651 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -2.789 8.287 7.381 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -1.556 7.232 6.653 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -2.997 7.693 5.717 1.00 1.48 H new ATOM 214 N ALA A 16 -5.161 4.385 5.125 1.00 0.35 N ATOM 215 CA ALA A 16 -6.161 4.468 4.078 1.00 0.38 C ATOM 216 C ALA A 16 -7.305 5.363 4.538 1.00 0.36 C ATOM 217 O ALA A 16 -7.887 5.143 5.603 1.00 0.39 O ATOM 218 CB ALA A 16 -6.669 3.082 3.715 1.00 0.45 C ATOM 0 H ALA A 16 -5.380 3.717 5.864 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.711 4.902 3.185 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -7.419 3.164 2.928 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.838 2.471 3.363 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -7.115 2.616 4.594 1.00 0.45 H new ATOM 224 N ARG A 17 -7.557 6.425 3.793 1.00 0.37 N ATOM 225 CA ARG A 17 -8.565 7.397 4.184 1.00 0.37 C ATOM 226 C ARG A 17 -9.721 7.394 3.195 1.00 0.35 C ATOM 227 O ARG A 17 -9.511 7.452 1.991 1.00 0.48 O ATOM 228 CB ARG A 17 -7.948 8.796 4.263 1.00 0.50 C ATOM 229 CG ARG A 17 -6.801 8.899 5.252 1.00 1.21 C ATOM 230 CD ARG A 17 -7.171 9.759 6.448 1.00 1.69 C ATOM 231 NE ARG A 17 -7.236 8.982 7.686 1.00 2.32 N ATOM 232 CZ ARG A 17 -8.332 8.857 8.440 1.00 3.06 C ATOM 233 NH1 ARG A 17 -9.450 9.493 8.116 1.00 3.37 N ATOM 234 NH2 ARG A 17 -8.291 8.112 9.535 1.00 3.99 N ATOM 0 H ARG A 17 -7.080 6.637 2.917 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.946 7.121 5.167 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -7.591 9.083 3.274 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -8.723 9.510 4.542 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -6.522 7.902 5.592 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -5.928 9.322 4.755 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -6.438 10.558 6.560 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -8.135 10.234 6.268 1.00 1.69 H new ATOM 0 HE ARG A 17 -6.389 8.504 7.994 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -9.478 10.084 7.285 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -10.282 9.391 8.698 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -7.427 7.638 9.798 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -9.124 8.012 10.115 1.00 3.99 H new ATOM 248 N PRO A 18 -10.955 7.267 3.687 1.00 0.31 N ATOM 249 CA PRO A 18 -12.138 7.191 2.828 1.00 0.38 C ATOM 250 C PRO A 18 -12.563 8.554 2.291 1.00 0.39 C ATOM 251 O PRO A 18 -12.467 9.567 2.986 1.00 0.46 O ATOM 252 CB PRO A 18 -13.199 6.631 3.765 1.00 0.49 C ATOM 253 CG PRO A 18 -12.805 7.127 5.112 1.00 0.57 C ATOM 254 CD PRO A 18 -11.301 7.140 5.117 1.00 0.43 C ATOM 0 HA PRO A 18 -11.963 6.586 1.938 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -14.195 6.978 3.490 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.221 5.542 3.734 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.206 8.124 5.295 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -13.194 6.478 5.897 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -10.908 7.972 5.701 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.893 6.227 5.550 1.00 0.43 H new ATOM 262 N VAL A 19 -13.042 8.578 1.058 1.00 0.40 N ATOM 263 CA VAL A 19 -13.500 9.815 0.448 1.00 0.45 C ATOM 264 C VAL A 19 -15.018 9.807 0.305 1.00 0.48 C ATOM 265 O VAL A 19 -15.562 9.071 -0.508 1.00 0.47 O ATOM 266 CB VAL A 19 -12.860 10.030 -0.941 1.00 0.47 C ATOM 267 CG1 VAL A 19 -13.118 11.441 -1.441 1.00 0.59 C ATOM 268 CG2 VAL A 19 -11.366 9.740 -0.898 1.00 0.52 C ATOM 0 H VAL A 19 -13.124 7.755 0.460 1.00 0.40 H new ATOM 0 HA VAL A 19 -13.197 10.633 1.102 1.00 0.45 H new ATOM 0 HB VAL A 19 -13.323 9.332 -1.638 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.658 11.570 -2.421 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -14.192 11.608 -1.520 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -12.689 12.159 -0.742 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.936 9.898 -1.887 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.886 10.408 -0.183 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -11.205 8.706 -0.593 1.00 0.52 H new ATOM 278 N PRO A 20 -15.731 10.592 1.126 1.00 0.58 N ATOM 279 CA PRO A 20 -17.199 10.635 1.109 1.00 0.69 C ATOM 280 C PRO A 20 -17.747 11.221 -0.194 1.00 0.70 C ATOM 281 O PRO A 20 -18.938 11.127 -0.477 1.00 1.27 O ATOM 282 CB PRO A 20 -17.558 11.534 2.301 1.00 0.84 C ATOM 283 CG PRO A 20 -16.323 11.585 3.137 1.00 0.97 C ATOM 284 CD PRO A 20 -15.174 11.450 2.181 1.00 0.67 C ATOM 0 HA PRO A 20 -17.632 9.637 1.177 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -17.850 12.530 1.969 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -18.398 11.126 2.863 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -16.264 12.523 3.689 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -16.316 10.781 3.873 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -14.856 12.417 1.791 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -14.304 10.996 2.655 1.00 0.67 H new ATOM 292 N SER A 21 -16.862 11.771 -1.011 1.00 0.80 N ATOM 293 CA SER A 21 -17.250 12.280 -2.318 1.00 0.85 C ATOM 294 C SER A 21 -17.037 11.210 -3.385 1.00 0.65 C ATOM 295 O SER A 21 -17.319 11.425 -4.566 1.00 0.69 O ATOM 296 CB SER A 21 -16.438 13.529 -2.666 1.00 1.07 C ATOM 297 OG SER A 21 -16.284 14.369 -1.534 1.00 1.49 O ATOM 0 H SER A 21 -15.871 11.876 -0.793 1.00 0.80 H new ATOM 0 HA SER A 21 -18.307 12.545 -2.286 1.00 0.85 H new ATOM 0 HB2 SER A 21 -15.458 13.236 -3.042 1.00 1.07 H new ATOM 0 HB3 SER A 21 -16.935 14.078 -3.466 1.00 1.07 H new ATOM 0 HG SER A 21 -15.760 15.159 -1.782 1.00 1.49 H new ATOM 303 N ASN A 22 -16.506 10.066 -2.968 1.00 0.55 N ATOM 304 CA ASN A 22 -16.202 8.986 -3.890 1.00 0.44 C ATOM 305 C ASN A 22 -16.363 7.626 -3.215 1.00 0.40 C ATOM 306 O ASN A 22 -15.471 7.167 -2.508 1.00 0.43 O ATOM 307 CB ASN A 22 -14.782 9.140 -4.424 1.00 0.57 C ATOM 308 CG ASN A 22 -14.692 8.850 -5.902 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.110 7.791 -6.366 1.00 0.94 O ATOM 310 ND2 ASN A 22 -14.159 9.793 -6.655 1.00 1.28 N ATOM 0 H ASN A 22 -16.278 9.866 -1.994 1.00 0.55 H new ATOM 0 HA ASN A 22 -16.906 9.039 -4.720 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -14.432 10.155 -4.233 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.117 8.467 -3.883 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -14.082 9.658 -7.663 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -13.824 10.657 -6.229 1.00 1.28 H new ATOM 317 N PRO A 23 -17.551 7.019 -3.371 1.00 0.40 N ATOM 318 CA PRO A 23 -17.939 5.753 -2.730 1.00 0.43 C ATOM 319 C PRO A 23 -16.834 4.711 -2.587 1.00 0.48 C ATOM 320 O PRO A 23 -16.616 4.189 -1.498 1.00 0.98 O ATOM 321 CB PRO A 23 -19.014 5.252 -3.678 1.00 0.56 C ATOM 322 CG PRO A 23 -19.726 6.490 -4.086 1.00 0.70 C ATOM 323 CD PRO A 23 -18.690 7.588 -4.120 1.00 0.48 C ATOM 0 HA PRO A 23 -18.239 5.916 -1.695 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -18.583 4.736 -4.536 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -19.685 4.547 -3.187 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -20.192 6.366 -5.064 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.523 6.730 -3.382 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.410 7.842 -5.142 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.059 8.501 -3.654 1.00 0.48 H new ATOM 331 N ARG A 24 -16.242 4.311 -3.698 1.00 0.31 N ATOM 332 CA ARG A 24 -15.294 3.205 -3.691 1.00 0.27 C ATOM 333 C ARG A 24 -13.863 3.680 -3.471 1.00 0.26 C ATOM 334 O ARG A 24 -12.918 2.899 -3.616 1.00 0.31 O ATOM 335 CB ARG A 24 -15.379 2.451 -5.019 1.00 0.35 C ATOM 336 CG ARG A 24 -16.060 1.100 -4.918 1.00 0.37 C ATOM 337 CD ARG A 24 -17.100 0.926 -6.007 1.00 0.62 C ATOM 338 NE ARG A 24 -18.338 1.629 -5.687 1.00 1.27 N ATOM 339 CZ ARG A 24 -18.896 2.556 -6.465 1.00 2.02 C ATOM 340 NH1 ARG A 24 -18.359 2.849 -7.645 1.00 2.44 N ATOM 341 NH2 ARG A 24 -20.001 3.172 -6.071 1.00 2.86 N ATOM 0 H ARG A 24 -16.398 4.731 -4.614 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.559 2.548 -2.863 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -15.918 3.065 -5.740 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.371 2.310 -5.410 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.315 0.308 -4.994 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -16.533 1.001 -3.941 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -16.704 1.298 -6.952 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -17.309 -0.135 -6.145 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.806 1.396 -4.811 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -17.518 2.364 -7.957 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -18.788 3.559 -8.238 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -20.424 2.937 -5.173 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -20.429 3.882 -6.666 1.00 2.86 H new ATOM 355 N ARG A 25 -13.689 4.972 -3.228 1.00 0.23 N ATOM 356 CA ARG A 25 -12.349 5.539 -3.176 1.00 0.26 C ATOM 357 C ARG A 25 -11.751 5.545 -1.776 1.00 0.24 C ATOM 358 O ARG A 25 -12.263 6.195 -0.862 1.00 0.24 O ATOM 359 CB ARG A 25 -12.338 6.955 -3.739 1.00 0.32 C ATOM 360 CG ARG A 25 -10.997 7.357 -4.328 1.00 0.51 C ATOM 361 CD ARG A 25 -10.812 8.865 -4.313 1.00 0.80 C ATOM 362 NE ARG A 25 -10.671 9.416 -5.660 1.00 1.32 N ATOM 363 CZ ARG A 25 -10.490 10.712 -5.918 1.00 1.71 C ATOM 364 NH1 ARG A 25 -10.274 11.569 -4.926 1.00 2.14 N ATOM 365 NH2 ARG A 25 -10.474 11.143 -7.173 1.00 2.31 N ATOM 0 H ARG A 25 -14.445 5.637 -3.066 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.727 4.889 -3.791 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.105 7.038 -4.509 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.604 7.655 -2.947 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.194 6.885 -3.762 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -10.924 6.990 -5.352 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -11.666 9.329 -3.819 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -9.929 9.116 -3.725 1.00 0.80 H new ATOM 0 HE ARG A 25 -10.714 8.771 -6.449 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -10.246 11.237 -3.962 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -10.136 12.559 -5.128 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -10.600 10.483 -7.940 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -10.336 12.134 -7.370 1.00 2.31 H new ATOM 379 N LEU A 26 -10.557 4.978 -1.690 1.00 0.29 N ATOM 380 CA LEU A 26 -9.735 5.064 -0.498 1.00 0.35 C ATOM 381 C LEU A 26 -8.434 5.777 -0.845 1.00 0.39 C ATOM 382 O LEU A 26 -7.671 5.316 -1.699 1.00 0.44 O ATOM 383 CB LEU A 26 -9.425 3.668 0.056 1.00 0.44 C ATOM 384 CG LEU A 26 -10.421 3.130 1.086 1.00 0.36 C ATOM 385 CD1 LEU A 26 -10.185 1.648 1.331 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.309 3.905 2.387 1.00 0.43 C ATOM 0 H LEU A 26 -10.132 4.444 -2.448 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.278 5.621 0.266 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.378 2.968 -0.778 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.435 3.689 0.511 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.429 3.259 0.691 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.902 1.282 2.066 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -10.311 1.100 0.397 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -9.173 1.498 1.706 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.024 3.510 3.109 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.299 3.805 2.785 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -10.523 4.958 2.203 1.00 0.43 H new ATOM 398 N GLU A 27 -8.192 6.899 -0.194 1.00 0.41 N ATOM 399 CA GLU A 27 -6.971 7.656 -0.399 1.00 0.47 C ATOM 400 C GLU A 27 -5.856 7.068 0.457 1.00 0.41 C ATOM 401 O GLU A 27 -5.618 7.511 1.582 1.00 0.48 O ATOM 402 CB GLU A 27 -7.192 9.132 -0.050 1.00 0.51 C ATOM 403 CG GLU A 27 -6.892 10.081 -1.199 1.00 0.99 C ATOM 404 CD GLU A 27 -8.048 11.012 -1.503 1.00 1.26 C ATOM 405 OE1 GLU A 27 -8.410 11.827 -0.630 1.00 1.63 O ATOM 406 OE2 GLU A 27 -8.608 10.929 -2.615 1.00 1.82 O ATOM 0 H GLU A 27 -8.831 7.309 0.487 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.685 7.593 -1.449 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -8.226 9.271 0.265 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.562 9.394 0.800 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -6.009 10.672 -0.956 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -6.653 9.502 -2.091 1.00 0.99 H new ATOM 413 N VAL A 28 -5.248 6.005 -0.043 1.00 0.40 N ATOM 414 CA VAL A 28 -4.205 5.303 0.683 1.00 0.38 C ATOM 415 C VAL A 28 -2.901 6.086 0.609 1.00 0.35 C ATOM 416 O VAL A 28 -2.279 6.168 -0.443 1.00 0.42 O ATOM 417 CB VAL A 28 -4.000 3.883 0.116 1.00 0.49 C ATOM 418 CG1 VAL A 28 -2.786 3.212 0.733 1.00 0.61 C ATOM 419 CG2 VAL A 28 -5.246 3.042 0.332 1.00 0.68 C ATOM 0 H VAL A 28 -5.462 5.607 -0.957 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.513 5.215 1.725 1.00 0.38 H new ATOM 0 HB VAL A 28 -3.820 3.971 -0.955 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -2.669 2.213 0.312 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -1.895 3.803 0.518 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -2.920 3.138 1.812 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -5.086 2.043 -0.073 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.457 2.971 1.399 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -6.092 3.508 -0.174 1.00 0.68 H new ATOM 429 N THR A 29 -2.513 6.695 1.715 1.00 0.31 N ATOM 430 CA THR A 29 -1.301 7.494 1.745 1.00 0.30 C ATOM 431 C THR A 29 -0.308 6.930 2.755 1.00 0.28 C ATOM 432 O THR A 29 -0.706 6.402 3.796 1.00 0.31 O ATOM 433 CB THR A 29 -1.610 8.958 2.102 1.00 0.35 C ATOM 434 OG1 THR A 29 -3.030 9.151 2.211 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.041 9.906 1.056 1.00 0.59 C ATOM 0 H THR A 29 -3.017 6.652 2.601 1.00 0.31 H new ATOM 0 HA THR A 29 -0.863 7.458 0.748 1.00 0.30 H new ATOM 0 HB THR A 29 -1.140 9.179 3.060 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.217 10.085 2.440 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.273 10.934 1.332 1.00 0.59 H new ATOM 0 HG22 THR A 29 0.040 9.781 1.001 1.00 0.59 H new ATOM 0 HG23 THR A 29 -1.482 9.683 0.084 1.00 0.59 H new ATOM 443 N TRP A 30 0.977 7.025 2.436 1.00 0.27 N ATOM 444 CA TRP A 30 2.023 6.523 3.308 1.00 0.28 C ATOM 445 C TRP A 30 3.314 7.291 3.093 1.00 0.27 C ATOM 446 O TRP A 30 3.395 8.166 2.230 1.00 0.33 O ATOM 447 CB TRP A 30 2.259 5.026 3.069 1.00 0.29 C ATOM 448 CG TRP A 30 2.769 4.703 1.693 1.00 0.25 C ATOM 449 CD1 TRP A 30 4.072 4.682 1.280 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.983 4.353 0.550 1.00 0.25 C ATOM 451 NE1 TRP A 30 4.140 4.353 -0.051 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.872 4.144 -0.521 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.616 4.200 0.329 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.433 3.790 -1.796 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.182 3.851 -0.934 1.00 0.49 C ATOM 456 CH2 TRP A 30 1.086 3.648 -1.982 1.00 0.46 C ATOM 0 H TRP A 30 1.318 7.449 1.573 1.00 0.27 H new ATOM 0 HA TRP A 30 1.697 6.665 4.338 1.00 0.28 H new ATOM 0 HB2 TRP A 30 2.973 4.658 3.806 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.325 4.490 3.235 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.924 4.893 1.909 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.996 4.277 -0.600 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.091 4.352 1.131 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 3.130 3.634 -2.606 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -0.876 3.732 -1.117 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.712 3.374 -2.957 1.00 0.46 H new ATOM 467 N GLN A 31 4.317 6.934 3.870 1.00 0.28 N ATOM 468 CA GLN A 31 5.632 7.523 3.774 1.00 0.29 C ATOM 469 C GLN A 31 6.675 6.416 3.872 1.00 0.29 C ATOM 470 O GLN A 31 6.332 5.256 4.116 1.00 0.29 O ATOM 471 CB GLN A 31 5.829 8.534 4.903 1.00 0.32 C ATOM 472 CG GLN A 31 5.084 9.842 4.694 1.00 0.64 C ATOM 473 CD GLN A 31 5.665 10.673 3.569 1.00 0.85 C ATOM 474 OE1 GLN A 31 6.596 11.449 3.771 1.00 1.65 O ATOM 475 NE2 GLN A 31 5.116 10.522 2.374 1.00 0.79 N ATOM 0 H GLN A 31 4.238 6.219 4.593 1.00 0.28 H new ATOM 0 HA GLN A 31 5.739 8.041 2.821 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.500 8.086 5.841 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.893 8.746 5.007 1.00 0.32 H new ATOM 0 HG2 GLN A 31 4.037 9.629 4.479 1.00 0.64 H new ATOM 0 HG3 GLN A 31 5.108 10.421 5.617 1.00 0.64 H new ATOM 0 HE21 GLN A 31 4.344 9.867 2.246 1.00 0.79 H new ATOM 0 HE22 GLN A 31 5.465 11.060 1.581 1.00 0.79 H new ATOM 484 N THR A 32 7.944 6.763 3.749 1.00 0.34 N ATOM 485 CA THR A 32 8.999 5.777 3.901 1.00 0.36 C ATOM 486 C THR A 32 9.258 5.503 5.379 1.00 0.41 C ATOM 487 O THR A 32 8.859 6.287 6.240 1.00 0.49 O ATOM 488 CB THR A 32 10.307 6.230 3.226 1.00 0.42 C ATOM 489 OG1 THR A 32 10.550 7.620 3.495 1.00 0.49 O ATOM 490 CG2 THR A 32 10.242 6.012 1.722 1.00 0.49 C ATOM 0 H THR A 32 8.267 7.709 3.547 1.00 0.34 H new ATOM 0 HA THR A 32 8.662 4.864 3.411 1.00 0.36 H new ATOM 0 HB THR A 32 11.122 5.633 3.635 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.499 7.820 3.352 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.177 6.339 1.266 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.088 4.953 1.514 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.415 6.587 1.306 1.00 0.49 H new ATOM 498 N PRO A 33 9.908 4.381 5.702 1.00 0.39 N ATOM 499 CA PRO A 33 10.224 4.034 7.087 1.00 0.46 C ATOM 500 C PRO A 33 11.250 4.987 7.697 1.00 0.56 C ATOM 501 O PRO A 33 11.952 5.703 6.978 1.00 0.60 O ATOM 502 CB PRO A 33 10.814 2.629 6.975 1.00 0.46 C ATOM 503 CG PRO A 33 11.339 2.553 5.586 1.00 0.42 C ATOM 504 CD PRO A 33 10.388 3.358 4.754 1.00 0.35 C ATOM 0 HA PRO A 33 9.348 4.095 7.733 1.00 0.46 H new ATOM 0 HB2 PRO A 33 11.606 2.472 7.707 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.057 1.866 7.155 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.350 2.955 5.526 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.386 1.520 5.240 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.884 3.806 3.893 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.571 2.748 4.370 1.00 0.35 H new ATOM 512 N SER A 34 11.382 4.943 9.012 1.00 0.66 N ATOM 513 CA SER A 34 12.368 5.750 9.714 1.00 0.80 C ATOM 514 C SER A 34 13.778 5.251 9.411 1.00 0.86 C ATOM 515 O SER A 34 14.746 6.013 9.447 1.00 0.96 O ATOM 516 CB SER A 34 12.091 5.702 11.215 1.00 0.92 C ATOM 517 OG SER A 34 10.782 5.211 11.467 1.00 1.02 O ATOM 0 H SER A 34 10.814 4.352 9.620 1.00 0.66 H new ATOM 0 HA SER A 34 12.295 6.783 9.373 1.00 0.80 H new ATOM 0 HB2 SER A 34 12.825 5.063 11.705 1.00 0.92 H new ATOM 0 HB3 SER A 34 12.200 6.699 11.642 1.00 0.92 H new ATOM 0 HG SER A 34 10.813 4.237 11.572 1.00 1.02 H new ATOM 523 N THR A 35 13.878 3.976 9.055 1.00 0.82 N ATOM 524 CA THR A 35 15.154 3.375 8.695 1.00 0.91 C ATOM 525 C THR A 35 15.556 3.732 7.263 1.00 0.92 C ATOM 526 O THR A 35 16.614 3.327 6.786 1.00 1.11 O ATOM 527 CB THR A 35 15.099 1.846 8.846 1.00 0.89 C ATOM 528 OG1 THR A 35 13.991 1.489 9.681 1.00 0.85 O ATOM 529 CG2 THR A 35 16.388 1.309 9.447 1.00 1.08 C ATOM 0 H THR A 35 13.085 3.336 9.008 1.00 0.82 H new ATOM 0 HA THR A 35 15.904 3.777 9.377 1.00 0.91 H new ATOM 0 HB THR A 35 14.975 1.405 7.857 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.127 0.586 10.037 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.321 0.225 9.542 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.226 1.565 8.799 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.542 1.751 10.431 1.00 1.08 H new ATOM 537 N TRP A 36 14.736 4.544 6.604 1.00 0.80 N ATOM 538 CA TRP A 36 15.046 5.027 5.266 1.00 0.83 C ATOM 539 C TRP A 36 15.353 6.521 5.310 1.00 1.00 C ATOM 540 O TRP A 36 14.439 7.349 5.370 1.00 1.09 O ATOM 541 CB TRP A 36 13.884 4.755 4.310 1.00 0.74 C ATOM 542 CG TRP A 36 14.323 4.392 2.925 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.145 5.131 1.791 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.016 3.205 2.525 1.00 0.87 C ATOM 545 NE1 TRP A 36 14.678 4.472 0.711 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.222 3.289 1.136 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.484 2.077 3.207 1.00 0.97 C ATOM 548 CZ2 TRP A 36 15.874 2.291 0.416 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.132 1.088 2.491 1.00 1.14 C ATOM 550 CH2 TRP A 36 16.322 1.200 1.108 1.00 1.21 C ATOM 0 H TRP A 36 13.849 4.882 6.978 1.00 0.80 H new ATOM 0 HA TRP A 36 15.923 4.493 4.899 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.274 3.947 4.713 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.249 5.640 4.261 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.656 6.093 1.750 1.00 0.86 H new ATOM 0 HE1 TRP A 36 14.670 4.809 -0.252 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.342 1.981 4.273 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.021 2.376 -0.651 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 16.498 0.213 3.007 1.00 1.14 H new ATOM 0 HH2 TRP A 36 16.832 0.409 0.578 1.00 1.21 H new ATOM 561 N PRO A 37 16.643 6.879 5.371 1.00 1.20 N ATOM 562 CA PRO A 37 17.074 8.276 5.484 1.00 1.44 C ATOM 563 C PRO A 37 16.745 9.090 4.237 1.00 1.34 C ATOM 564 O PRO A 37 15.904 9.991 4.275 1.00 1.49 O ATOM 565 CB PRO A 37 18.593 8.173 5.678 1.00 1.76 C ATOM 566 CG PRO A 37 18.968 6.826 5.165 1.00 1.78 C ATOM 567 CD PRO A 37 17.779 5.943 5.403 1.00 1.34 C ATOM 0 HA PRO A 37 16.565 8.791 6.299 1.00 1.44 H new ATOM 0 HB2 PRO A 37 19.113 8.960 5.132 1.00 1.76 H new ATOM 0 HB3 PRO A 37 18.863 8.282 6.728 1.00 1.76 H new ATOM 0 HG2 PRO A 37 19.216 6.868 4.104 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.847 6.443 5.683 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.689 5.176 4.634 1.00 1.34 H new ATOM 0 HD3 PRO A 37 17.847 5.428 6.361 1.00 1.34 H new ATOM 575 N ASP A 38 17.409 8.769 3.135 1.00 1.33 N ATOM 576 CA ASP A 38 17.185 9.455 1.873 1.00 1.35 C ATOM 577 C ASP A 38 16.112 8.746 1.059 1.00 1.29 C ATOM 578 O ASP A 38 16.317 7.628 0.592 1.00 1.42 O ATOM 579 CB ASP A 38 18.481 9.530 1.070 1.00 1.65 C ATOM 580 CG ASP A 38 18.469 10.656 0.058 1.00 1.90 C ATOM 581 OD1 ASP A 38 17.465 10.806 -0.667 1.00 2.16 O ATOM 582 OD2 ASP A 38 19.477 11.387 -0.033 1.00 2.28 O ATOM 0 H ASP A 38 18.112 8.032 3.092 1.00 1.33 H new ATOM 0 HA ASP A 38 16.845 10.467 2.093 1.00 1.35 H new ATOM 0 HB2 ASP A 38 19.320 9.667 1.752 1.00 1.65 H new ATOM 0 HB3 ASP A 38 18.641 8.583 0.554 1.00 1.65 H new ATOM 587 N PRO A 39 14.942 9.372 0.903 1.00 1.31 N ATOM 588 CA PRO A 39 13.819 8.775 0.184 1.00 1.44 C ATOM 589 C PRO A 39 13.903 8.990 -1.324 1.00 1.61 C ATOM 590 O PRO A 39 13.038 8.535 -2.074 1.00 1.84 O ATOM 591 CB PRO A 39 12.624 9.521 0.763 1.00 1.62 C ATOM 592 CG PRO A 39 13.150 10.880 1.072 1.00 1.69 C ATOM 593 CD PRO A 39 14.595 10.694 1.461 1.00 1.44 C ATOM 0 HA PRO A 39 13.778 7.693 0.305 1.00 1.44 H new ATOM 0 HB2 PRO A 39 11.800 9.566 0.050 1.00 1.62 H new ATOM 0 HB3 PRO A 39 12.244 9.029 1.658 1.00 1.62 H new ATOM 0 HG2 PRO A 39 13.061 11.538 0.207 1.00 1.69 H new ATOM 0 HG3 PRO A 39 12.585 11.341 1.882 1.00 1.69 H new ATOM 0 HD2 PRO A 39 15.225 11.481 1.047 1.00 1.44 H new ATOM 0 HD3 PRO A 39 14.724 10.718 2.543 1.00 1.44 H new ATOM 601 N GLU A 40 14.927 9.710 -1.762 1.00 1.57 N ATOM 602 CA GLU A 40 15.085 10.017 -3.175 1.00 1.76 C ATOM 603 C GLU A 40 16.321 9.340 -3.746 1.00 1.76 C ATOM 604 O GLU A 40 16.245 8.663 -4.770 1.00 1.90 O ATOM 605 CB GLU A 40 15.169 11.522 -3.389 1.00 1.90 C ATOM 606 CG GLU A 40 13.837 12.151 -3.752 1.00 2.12 C ATOM 607 CD GLU A 40 13.746 13.590 -3.309 1.00 2.36 C ATOM 608 OE1 GLU A 40 14.497 14.428 -3.842 1.00 2.63 O ATOM 609 OE2 GLU A 40 12.926 13.889 -2.420 1.00 2.91 O ATOM 0 H GLU A 40 15.658 10.091 -1.161 1.00 1.57 H new ATOM 0 HA GLU A 40 14.210 9.634 -3.700 1.00 1.76 H new ATOM 0 HB2 GLU A 40 15.549 11.991 -2.481 1.00 1.90 H new ATOM 0 HB3 GLU A 40 15.889 11.730 -4.180 1.00 1.90 H new ATOM 0 HG2 GLU A 40 13.693 12.095 -4.831 1.00 2.12 H new ATOM 0 HG3 GLU A 40 13.030 11.580 -3.293 1.00 2.12 H new ATOM 616 N SER A 41 17.452 9.498 -3.073 1.00 1.67 N ATOM 617 CA SER A 41 18.694 8.882 -3.522 1.00 1.75 C ATOM 618 C SER A 41 18.657 7.370 -3.301 1.00 1.63 C ATOM 619 O SER A 41 19.411 6.619 -3.921 1.00 1.67 O ATOM 620 CB SER A 41 19.885 9.505 -2.797 1.00 1.82 C ATOM 621 OG SER A 41 19.747 10.919 -2.722 1.00 1.89 O ATOM 0 H SER A 41 17.536 10.046 -2.217 1.00 1.67 H new ATOM 0 HA SER A 41 18.805 9.065 -4.591 1.00 1.75 H new ATOM 0 HB2 SER A 41 19.963 9.089 -1.793 1.00 1.82 H new ATOM 0 HB3 SER A 41 20.808 9.252 -3.320 1.00 1.82 H new ATOM 0 HG SER A 41 20.439 11.284 -2.132 1.00 1.89 H new ATOM 627 N PHE A 42 17.690 6.927 -2.510 1.00 1.51 N ATOM 628 CA PHE A 42 17.448 5.506 -2.319 1.00 1.41 C ATOM 629 C PHE A 42 16.031 5.167 -2.772 1.00 1.27 C ATOM 630 O PHE A 42 15.074 5.324 -2.009 1.00 1.40 O ATOM 631 CB PHE A 42 17.642 5.119 -0.850 1.00 1.58 C ATOM 632 CG PHE A 42 19.081 4.980 -0.446 1.00 2.08 C ATOM 633 CD1 PHE A 42 19.918 4.093 -1.104 1.00 2.54 C ATOM 634 CD2 PHE A 42 19.596 5.735 0.594 1.00 2.38 C ATOM 635 CE1 PHE A 42 21.242 3.963 -0.733 1.00 3.12 C ATOM 636 CE2 PHE A 42 20.920 5.609 0.971 1.00 3.01 C ATOM 637 CZ PHE A 42 21.744 4.720 0.306 1.00 3.32 C ATOM 0 H PHE A 42 17.058 7.535 -1.989 1.00 1.51 H new ATOM 0 HA PHE A 42 18.163 4.941 -2.916 1.00 1.41 H new ATOM 0 HB2 PHE A 42 17.168 5.872 -0.220 1.00 1.58 H new ATOM 0 HB3 PHE A 42 17.128 4.176 -0.661 1.00 1.58 H new ATOM 0 HD1 PHE A 42 19.530 3.496 -1.917 1.00 2.54 H new ATOM 0 HD2 PHE A 42 18.956 6.430 1.117 1.00 2.38 H new ATOM 0 HE1 PHE A 42 21.884 3.269 -1.256 1.00 3.12 H new ATOM 0 HE2 PHE A 42 21.310 6.204 1.784 1.00 3.01 H new ATOM 0 HZ PHE A 42 22.778 4.618 0.599 1.00 3.32 H new ATOM 647 N PRO A 43 15.864 4.828 -4.061 1.00 1.24 N ATOM 648 CA PRO A 43 14.547 4.561 -4.642 1.00 1.33 C ATOM 649 C PRO A 43 13.879 3.334 -4.030 1.00 1.26 C ATOM 650 O PRO A 43 14.382 2.211 -4.139 1.00 1.97 O ATOM 651 CB PRO A 43 14.836 4.337 -6.132 1.00 1.58 C ATOM 652 CG PRO A 43 16.287 4.011 -6.204 1.00 1.75 C ATOM 653 CD PRO A 43 16.933 4.753 -5.070 1.00 1.40 C ATOM 0 HA PRO A 43 13.853 5.381 -4.457 1.00 1.33 H new ATOM 0 HB2 PRO A 43 14.230 3.525 -6.533 1.00 1.58 H new ATOM 0 HB3 PRO A 43 14.603 5.227 -6.716 1.00 1.58 H new ATOM 0 HG2 PRO A 43 16.451 2.937 -6.112 1.00 1.75 H new ATOM 0 HG3 PRO A 43 16.709 4.317 -7.161 1.00 1.75 H new ATOM 0 HD2 PRO A 43 17.808 4.225 -4.691 1.00 1.40 H new ATOM 0 HD3 PRO A 43 17.267 5.744 -5.376 1.00 1.40 H new ATOM 661 N LEU A 44 12.751 3.562 -3.379 1.00 0.98 N ATOM 662 CA LEU A 44 12.009 2.496 -2.733 1.00 0.82 C ATOM 663 C LEU A 44 10.869 2.014 -3.619 1.00 0.78 C ATOM 664 O LEU A 44 9.985 2.788 -3.989 1.00 0.98 O ATOM 665 CB LEU A 44 11.456 2.979 -1.389 1.00 0.83 C ATOM 666 CG LEU A 44 11.530 1.962 -0.247 1.00 0.70 C ATOM 667 CD1 LEU A 44 11.434 2.663 1.099 1.00 1.54 C ATOM 668 CD2 LEU A 44 10.429 0.921 -0.384 1.00 1.29 C ATOM 0 H LEU A 44 12.327 4.485 -3.284 1.00 0.98 H new ATOM 0 HA LEU A 44 12.690 1.662 -2.563 1.00 0.82 H new ATOM 0 HB2 LEU A 44 12.001 3.875 -1.091 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.415 3.270 -1.527 1.00 0.83 H new ATOM 0 HG LEU A 44 12.493 1.454 -0.304 1.00 0.70 H new ATOM 0 HD11 LEU A 44 11.488 1.924 1.899 1.00 1.54 H new ATOM 0 HD12 LEU A 44 12.258 3.369 1.201 1.00 1.54 H new ATOM 0 HD13 LEU A 44 10.487 3.199 1.164 1.00 1.54 H new ATOM 0 HD21 LEU A 44 10.499 0.207 0.437 1.00 1.29 H new ATOM 0 HD22 LEU A 44 9.457 1.413 -0.355 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.541 0.395 -1.332 1.00 1.29 H new ATOM 680 N LYS A 45 10.850 0.718 -3.879 1.00 0.70 N ATOM 681 CA LYS A 45 9.774 0.096 -4.628 1.00 0.68 C ATOM 682 C LYS A 45 8.713 -0.424 -3.667 1.00 0.60 C ATOM 683 O LYS A 45 9.025 -1.156 -2.723 1.00 0.76 O ATOM 684 CB LYS A 45 10.318 -1.052 -5.481 1.00 0.78 C ATOM 685 CG LYS A 45 9.940 -0.953 -6.946 1.00 1.13 C ATOM 686 CD LYS A 45 9.599 -2.313 -7.523 1.00 1.25 C ATOM 687 CE LYS A 45 8.395 -2.236 -8.443 1.00 1.41 C ATOM 688 NZ LYS A 45 8.747 -2.565 -9.849 1.00 1.75 N ATOM 0 H LYS A 45 11.578 0.070 -3.578 1.00 0.70 H new ATOM 0 HA LYS A 45 9.326 0.838 -5.288 1.00 0.68 H new ATOM 0 HB2 LYS A 45 11.404 -1.074 -5.396 1.00 0.78 H new ATOM 0 HB3 LYS A 45 9.948 -1.997 -5.082 1.00 0.78 H new ATOM 0 HG2 LYS A 45 9.087 -0.284 -7.059 1.00 1.13 H new ATOM 0 HG3 LYS A 45 10.765 -0.515 -7.507 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.456 -2.702 -8.074 1.00 1.25 H new ATOM 0 HD3 LYS A 45 9.396 -3.013 -6.713 1.00 1.25 H new ATOM 0 HE2 LYS A 45 7.626 -2.923 -8.092 1.00 1.41 H new ATOM 0 HE3 LYS A 45 7.970 -1.233 -8.401 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 8.065 -2.114 -10.492 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 9.704 -2.215 -10.058 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 8.718 -3.596 -9.982 1.00 1.75 H new ATOM 702 N PHE A 46 7.476 -0.010 -3.879 1.00 0.46 N ATOM 703 CA PHE A 46 6.379 -0.400 -3.009 1.00 0.41 C ATOM 704 C PHE A 46 5.465 -1.391 -3.711 1.00 0.44 C ATOM 705 O PHE A 46 5.220 -1.281 -4.913 1.00 0.58 O ATOM 706 CB PHE A 46 5.582 0.832 -2.575 1.00 0.42 C ATOM 707 CG PHE A 46 6.280 1.667 -1.536 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.392 1.221 -0.227 1.00 0.41 C ATOM 709 CD2 PHE A 46 6.827 2.895 -1.869 1.00 0.45 C ATOM 710 CE1 PHE A 46 7.035 1.987 0.729 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.471 3.664 -0.919 1.00 0.48 C ATOM 712 CZ PHE A 46 7.562 3.211 0.389 1.00 0.47 C ATOM 0 H PHE A 46 7.205 0.600 -4.650 1.00 0.46 H new ATOM 0 HA PHE A 46 6.797 -0.880 -2.124 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.380 1.450 -3.450 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.617 0.510 -2.182 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.972 0.265 0.049 1.00 0.41 H new ATOM 0 HD2 PHE A 46 6.749 3.256 -2.884 1.00 0.45 H new ATOM 0 HE1 PHE A 46 7.123 1.624 1.742 1.00 0.47 H new ATOM 0 HE2 PHE A 46 7.902 4.615 -1.194 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.046 3.819 1.139 1.00 0.47 H new ATOM 722 N PHE A 47 4.961 -2.356 -2.962 1.00 0.40 N ATOM 723 CA PHE A 47 4.058 -3.358 -3.510 1.00 0.44 C ATOM 724 C PHE A 47 2.745 -3.333 -2.755 1.00 0.39 C ATOM 725 O PHE A 47 2.732 -3.408 -1.526 1.00 0.59 O ATOM 726 CB PHE A 47 4.682 -4.751 -3.434 1.00 0.55 C ATOM 727 CG PHE A 47 6.063 -4.821 -4.015 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.245 -4.998 -5.375 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.177 -4.727 -3.198 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.514 -5.077 -5.912 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.450 -4.809 -3.729 1.00 0.75 C ATOM 732 CZ PHE A 47 8.619 -4.919 -5.093 1.00 0.73 C ATOM 0 H PHE A 47 5.162 -2.469 -1.968 1.00 0.40 H new ATOM 0 HA PHE A 47 3.875 -3.124 -4.559 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.719 -5.068 -2.392 1.00 0.55 H new ATOM 0 HB3 PHE A 47 4.039 -5.457 -3.959 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.385 -5.075 -6.023 1.00 0.60 H new ATOM 0 HD2 PHE A 47 7.050 -4.588 -2.135 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.645 -5.262 -6.968 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.311 -4.787 -3.077 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.610 -4.882 -5.521 1.00 0.73 H new ATOM 742 N LEU A 48 1.661 -3.108 -3.475 1.00 0.33 N ATOM 743 CA LEU A 48 0.360 -2.940 -2.850 1.00 0.35 C ATOM 744 C LEU A 48 -0.590 -4.076 -3.214 1.00 0.35 C ATOM 745 O LEU A 48 -0.714 -4.448 -4.382 1.00 0.57 O ATOM 746 CB LEU A 48 -0.250 -1.601 -3.273 1.00 0.44 C ATOM 747 CG LEU A 48 -1.384 -1.091 -2.383 1.00 0.72 C ATOM 748 CD1 LEU A 48 -1.102 0.332 -1.925 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.714 -1.164 -3.119 1.00 1.05 C ATOM 0 H LEU A 48 1.655 -3.037 -4.493 1.00 0.33 H new ATOM 0 HA LEU A 48 0.504 -2.956 -1.770 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.540 -0.850 -3.293 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.625 -1.697 -4.292 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.445 -1.729 -1.502 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -1.919 0.679 -1.293 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -0.171 0.354 -1.359 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -1.014 0.983 -2.795 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.509 -0.797 -2.470 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.667 -0.550 -4.018 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.920 -2.198 -3.397 1.00 1.05 H new ATOM 761 N ARG A 49 -1.329 -4.542 -2.220 1.00 0.26 N ATOM 762 CA ARG A 49 -2.377 -5.532 -2.420 1.00 0.27 C ATOM 763 C ARG A 49 -3.552 -5.187 -1.524 1.00 0.24 C ATOM 764 O ARG A 49 -3.356 -4.830 -0.368 1.00 0.30 O ATOM 765 CB ARG A 49 -1.878 -6.946 -2.102 1.00 0.34 C ATOM 766 CG ARG A 49 -0.862 -7.004 -0.970 1.00 0.44 C ATOM 767 CD ARG A 49 -0.558 -8.436 -0.563 1.00 0.75 C ATOM 768 NE ARG A 49 -0.254 -9.289 -1.715 1.00 1.07 N ATOM 769 CZ ARG A 49 0.060 -10.580 -1.616 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.114 -11.161 -0.426 1.00 1.64 N ATOM 771 NH2 ARG A 49 0.331 -11.286 -2.710 1.00 2.02 N ATOM 0 H ARG A 49 -1.220 -4.245 -1.250 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.681 -5.515 -3.467 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.732 -7.572 -1.842 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.431 -7.373 -3.000 1.00 0.34 H new ATOM 0 HG2 ARG A 49 0.059 -6.511 -1.281 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.243 -6.454 -0.110 1.00 0.44 H new ATOM 0 HD2 ARG A 49 0.287 -8.444 0.125 1.00 0.75 H new ATOM 0 HD3 ARG A 49 -1.412 -8.847 -0.024 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.284 -8.871 -2.645 1.00 1.07 H new ATOM 0 HH11 ARG A 49 -0.085 -10.620 0.415 1.00 1.64 H new ATOM 0 HH12 ARG A 49 0.354 -12.149 -0.352 1.00 1.64 H new ATOM 0 HH21 ARG A 49 0.299 -10.839 -3.626 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.571 -12.274 -2.633 1.00 2.02 H new ATOM 785 N TYR A 50 -4.758 -5.216 -2.067 1.00 0.26 N ATOM 786 CA TYR A 50 -5.933 -4.826 -1.300 1.00 0.27 C ATOM 787 C TYR A 50 -7.012 -5.902 -1.376 1.00 0.28 C ATOM 788 O TYR A 50 -7.708 -6.037 -2.382 1.00 0.36 O ATOM 789 CB TYR A 50 -6.471 -3.466 -1.776 1.00 0.35 C ATOM 790 CG TYR A 50 -6.589 -3.305 -3.280 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.453 -3.142 -4.063 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.826 -3.351 -3.924 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.542 -3.020 -5.433 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.919 -3.238 -5.297 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.838 -2.948 -6.029 1.00 0.90 C ATOM 796 OH TYR A 50 -6.861 -2.964 -7.418 1.00 1.13 O ATOM 0 H TYR A 50 -4.950 -5.502 -3.027 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.638 -4.721 -0.256 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.454 -3.307 -1.332 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.818 -2.682 -1.393 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.483 -3.110 -3.590 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.725 -3.477 -3.339 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.651 -2.980 -6.042 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.872 -3.385 -5.783 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.789 -2.928 -7.730 1.00 1.13 H new ATOM 806 N ARG A 51 -7.072 -6.726 -0.341 1.00 0.29 N ATOM 807 CA ARG A 51 -8.024 -7.830 -0.283 1.00 0.34 C ATOM 808 C ARG A 51 -9.292 -7.431 0.467 1.00 0.29 C ATOM 809 O ARG A 51 -9.225 -6.998 1.617 1.00 0.33 O ATOM 810 CB ARG A 51 -7.383 -9.045 0.392 1.00 0.46 C ATOM 811 CG ARG A 51 -8.160 -10.335 0.197 1.00 0.64 C ATOM 812 CD ARG A 51 -7.328 -11.552 0.572 1.00 1.25 C ATOM 813 NE ARG A 51 -7.116 -11.647 2.013 1.00 1.72 N ATOM 814 CZ ARG A 51 -6.372 -12.586 2.598 1.00 2.29 C ATOM 815 NH1 ARG A 51 -5.867 -13.582 1.883 1.00 2.62 N ATOM 816 NH2 ARG A 51 -6.163 -12.547 3.907 1.00 3.10 N ATOM 0 H ARG A 51 -6.468 -6.651 0.478 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.300 -8.087 -1.306 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.374 -9.177 0.000 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.287 -8.847 1.460 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.065 -10.311 0.804 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -8.476 -10.416 -0.843 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -7.826 -12.455 0.219 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -6.364 -11.502 0.066 1.00 1.25 H new ATOM 0 HE ARG A 51 -7.565 -10.952 2.609 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -6.047 -13.632 0.880 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -5.298 -14.298 2.336 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -6.572 -11.798 4.467 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -5.594 -13.266 4.354 1.00 3.10 H new ATOM 830 N PRO A 52 -10.470 -7.681 -0.122 1.00 0.32 N ATOM 831 CA PRO A 52 -11.740 -7.487 0.578 1.00 0.38 C ATOM 832 C PRO A 52 -11.921 -8.532 1.677 1.00 0.44 C ATOM 833 O PRO A 52 -11.553 -9.693 1.495 1.00 0.51 O ATOM 834 CB PRO A 52 -12.781 -7.690 -0.524 1.00 0.52 C ATOM 835 CG PRO A 52 -12.125 -8.609 -1.497 1.00 0.65 C ATOM 836 CD PRO A 52 -10.658 -8.272 -1.462 1.00 0.45 C ATOM 0 HA PRO A 52 -11.810 -6.516 1.068 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.699 -8.123 -0.127 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -13.051 -6.744 -0.993 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.293 -9.651 -1.224 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.533 -8.473 -2.499 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -10.039 -9.159 -1.600 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -10.389 -7.570 -2.251 1.00 0.45 H new ATOM 844 N LEU A 53 -12.442 -8.121 2.826 1.00 0.50 N ATOM 845 CA LEU A 53 -12.617 -9.030 3.960 1.00 0.65 C ATOM 846 C LEU A 53 -13.819 -9.954 3.747 1.00 0.81 C ATOM 847 O LEU A 53 -14.666 -10.115 4.629 1.00 1.22 O ATOM 848 CB LEU A 53 -12.787 -8.231 5.257 1.00 0.70 C ATOM 849 CG LEU A 53 -11.538 -8.137 6.140 1.00 0.82 C ATOM 850 CD1 LEU A 53 -11.076 -9.523 6.567 1.00 1.32 C ATOM 851 CD2 LEU A 53 -10.421 -7.398 5.417 1.00 1.40 C ATOM 0 H LEU A 53 -12.752 -7.165 3.001 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.724 -9.650 4.038 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.108 -7.221 5.002 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -13.590 -8.683 5.840 1.00 0.70 H new ATOM 0 HG LEU A 53 -11.796 -7.572 7.035 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -10.188 -9.434 7.193 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -11.870 -10.013 7.131 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -10.839 -10.116 5.684 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -9.544 -7.343 6.062 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -10.165 -7.931 4.501 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -10.753 -6.390 5.169 1.00 1.40 H new ATOM 863 N ILE A 54 -13.872 -10.566 2.571 1.00 0.85 N ATOM 864 CA ILE A 54 -14.943 -11.486 2.209 1.00 1.01 C ATOM 865 C ILE A 54 -14.428 -12.562 1.264 1.00 1.08 C ATOM 866 O ILE A 54 -15.007 -13.641 1.160 1.00 1.34 O ATOM 867 CB ILE A 54 -16.117 -10.765 1.514 1.00 1.16 C ATOM 868 CG1 ILE A 54 -15.609 -9.586 0.680 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.146 -10.302 2.532 1.00 1.27 C ATOM 870 CD1 ILE A 54 -16.583 -9.128 -0.385 1.00 1.46 C ATOM 0 H ILE A 54 -13.172 -10.438 1.840 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.296 -11.929 3.140 1.00 1.01 H new ATOM 0 HB ILE A 54 -16.602 -11.474 0.843 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -15.391 -8.750 1.344 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -14.670 -9.867 0.204 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -17.964 -9.797 2.019 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.535 -11.164 3.074 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.678 -9.613 3.235 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -16.154 -8.290 -0.934 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -16.782 -9.949 -1.073 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -17.515 -8.814 0.085 1.00 1.46 H new ATOM 882 N LEU A 55 -13.371 -12.234 0.527 1.00 0.95 N ATOM 883 CA LEU A 55 -12.821 -13.143 -0.464 1.00 1.10 C ATOM 884 C LEU A 55 -11.307 -13.030 -0.503 1.00 1.12 C ATOM 885 O LEU A 55 -10.756 -11.932 -0.411 1.00 1.51 O ATOM 886 CB LEU A 55 -13.398 -12.825 -1.846 1.00 1.25 C ATOM 887 CG LEU A 55 -13.825 -14.038 -2.675 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.131 -13.754 -3.402 1.00 1.69 C ATOM 889 CD2 LEU A 55 -12.735 -14.415 -3.663 1.00 2.11 C ATOM 0 H LEU A 55 -12.880 -11.343 0.600 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.092 -14.162 -0.188 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -14.261 -12.171 -1.719 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.654 -12.264 -2.411 1.00 1.25 H new ATOM 0 HG LEU A 55 -13.984 -14.879 -2.000 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -15.419 -14.628 -3.987 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -15.911 -13.530 -2.674 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -14.999 -12.900 -4.067 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -13.054 -15.280 -4.245 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -12.546 -13.577 -4.333 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -11.822 -14.660 -3.121 1.00 2.11 H new ATOM 901 N ASP A 56 -10.646 -14.159 -0.700 1.00 1.38 N ATOM 902 CA ASP A 56 -9.195 -14.194 -0.820 1.00 1.54 C ATOM 903 C ASP A 56 -8.777 -13.796 -2.230 1.00 1.19 C ATOM 904 O ASP A 56 -8.450 -14.636 -3.073 1.00 1.44 O ATOM 905 CB ASP A 56 -8.647 -15.583 -0.473 1.00 2.08 C ATOM 906 CG ASP A 56 -7.126 -15.650 -0.510 1.00 2.58 C ATOM 907 OD1 ASP A 56 -6.483 -14.578 -0.531 1.00 2.90 O ATOM 908 OD2 ASP A 56 -6.562 -16.766 -0.525 1.00 2.89 O ATOM 0 H ASP A 56 -11.095 -15.071 -0.781 1.00 1.38 H new ATOM 0 HA ASP A 56 -8.776 -13.480 -0.111 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -8.993 -15.866 0.521 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.054 -16.313 -1.172 1.00 2.08 H new ATOM 913 N GLN A 57 -8.864 -12.509 -2.496 1.00 0.83 N ATOM 914 CA GLN A 57 -8.511 -11.967 -3.794 1.00 0.93 C ATOM 915 C GLN A 57 -7.413 -10.928 -3.647 1.00 0.79 C ATOM 916 O GLN A 57 -7.681 -9.740 -3.459 1.00 0.82 O ATOM 917 CB GLN A 57 -9.739 -11.348 -4.464 1.00 1.30 C ATOM 918 CG GLN A 57 -10.176 -12.069 -5.726 1.00 1.81 C ATOM 919 CD GLN A 57 -11.410 -11.449 -6.347 1.00 2.19 C ATOM 920 OE1 GLN A 57 -12.534 -11.882 -6.089 1.00 2.89 O ATOM 921 NE2 GLN A 57 -11.212 -10.440 -7.179 1.00 2.43 N ATOM 0 H GLN A 57 -9.180 -11.811 -1.823 1.00 0.83 H new ATOM 0 HA GLN A 57 -8.144 -12.778 -4.423 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -10.566 -11.344 -3.754 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.523 -10.308 -4.707 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -9.362 -12.054 -6.450 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -10.376 -13.115 -5.493 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -10.265 -10.111 -7.366 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -12.007 -9.991 -7.634 1.00 2.43 H new ATOM 930 N TRP A 58 -6.177 -11.394 -3.661 1.00 0.73 N ATOM 931 CA TRP A 58 -5.036 -10.529 -3.502 1.00 0.63 C ATOM 932 C TRP A 58 -4.704 -9.842 -4.804 1.00 0.67 C ATOM 933 O TRP A 58 -4.776 -10.443 -5.879 1.00 0.76 O ATOM 934 CB TRP A 58 -3.835 -11.324 -3.015 1.00 0.71 C ATOM 935 CG TRP A 58 -3.727 -11.343 -1.530 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.519 -12.426 -0.735 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.842 -10.219 -0.663 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.460 -12.035 0.583 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.660 -10.680 0.652 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.069 -8.864 -0.877 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.699 -9.820 1.749 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.110 -8.018 0.204 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.924 -8.493 1.498 1.00 0.49 C ATOM 0 H TRP A 58 -5.943 -12.379 -3.783 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.284 -9.770 -2.760 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.907 -12.347 -3.384 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.925 -10.896 -3.437 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.415 -13.442 -1.086 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -3.295 -12.652 1.378 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.211 -8.483 -1.878 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.558 -10.186 2.755 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.290 -6.965 0.047 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.958 -7.799 2.324 1.00 0.49 H new ATOM 954 N GLN A 59 -4.297 -8.599 -4.696 1.00 0.70 N ATOM 955 CA GLN A 59 -3.912 -7.834 -5.859 1.00 0.79 C ATOM 956 C GLN A 59 -2.411 -7.588 -5.840 1.00 0.95 C ATOM 957 O GLN A 59 -1.729 -7.963 -4.887 1.00 1.64 O ATOM 958 CB GLN A 59 -4.683 -6.519 -5.887 1.00 1.06 C ATOM 959 CG GLN A 59 -5.676 -6.427 -7.035 1.00 1.36 C ATOM 960 CD GLN A 59 -5.109 -5.709 -8.244 1.00 1.68 C ATOM 961 OE1 GLN A 59 -3.895 -5.674 -8.452 1.00 2.39 O ATOM 962 NE2 GLN A 59 -5.983 -5.125 -9.044 1.00 2.14 N ATOM 0 H GLN A 59 -4.224 -8.095 -3.812 1.00 0.70 H new ATOM 0 HA GLN A 59 -4.154 -8.393 -6.763 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -5.216 -6.399 -4.944 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -3.976 -5.693 -5.961 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -5.983 -7.432 -7.325 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -6.571 -5.906 -6.695 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -6.980 -5.178 -8.835 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -5.661 -4.621 -9.870 1.00 2.14 H new ATOM 971 N HIS A 60 -1.889 -7.019 -6.908 1.00 0.80 N ATOM 972 CA HIS A 60 -0.462 -6.783 -7.004 1.00 1.11 C ATOM 973 C HIS A 60 -0.175 -5.511 -7.785 1.00 0.88 C ATOM 974 O HIS A 60 -0.168 -5.510 -9.015 1.00 1.12 O ATOM 975 CB HIS A 60 0.227 -7.985 -7.663 1.00 1.75 C ATOM 976 CG HIS A 60 1.708 -7.837 -7.821 1.00 1.87 C ATOM 977 ND1 HIS A 60 2.295 -7.370 -8.975 1.00 2.49 N ATOM 978 CD2 HIS A 60 2.725 -8.106 -6.968 1.00 2.11 C ATOM 979 CE1 HIS A 60 3.604 -7.358 -8.828 1.00 2.81 C ATOM 980 NE2 HIS A 60 3.894 -7.799 -7.619 1.00 2.58 N ATOM 0 H HIS A 60 -2.428 -6.713 -7.718 1.00 0.80 H new ATOM 0 HA HIS A 60 -0.064 -6.657 -5.997 1.00 1.11 H new ATOM 0 HB2 HIS A 60 0.024 -8.876 -7.068 1.00 1.75 H new ATOM 0 HB3 HIS A 60 -0.217 -8.149 -8.645 1.00 1.75 H new ATOM 0 HD2 HIS A 60 2.633 -8.490 -5.963 1.00 2.11 H new ATOM 0 HE1 HIS A 60 4.319 -7.041 -9.572 1.00 2.81 H new ATOM 0 HE2 HIS A 60 4.833 -7.896 -7.232 1.00 2.58 H new ATOM 989 N VAL A 61 0.076 -4.433 -7.067 1.00 0.60 N ATOM 990 CA VAL A 61 0.416 -3.169 -7.692 1.00 0.59 C ATOM 991 C VAL A 61 1.889 -2.856 -7.476 1.00 0.51 C ATOM 992 O VAL A 61 2.323 -2.620 -6.345 1.00 0.55 O ATOM 993 CB VAL A 61 -0.434 -2.004 -7.144 1.00 0.87 C ATOM 994 CG1 VAL A 61 -0.278 -0.778 -8.028 1.00 1.32 C ATOM 995 CG2 VAL A 61 -1.898 -2.406 -7.029 1.00 1.48 C ATOM 0 H VAL A 61 0.051 -4.407 -6.048 1.00 0.60 H new ATOM 0 HA VAL A 61 0.206 -3.272 -8.757 1.00 0.59 H new ATOM 0 HB VAL A 61 -0.077 -1.758 -6.144 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -0.883 0.037 -7.630 1.00 1.32 H new ATOM 0 HG12 VAL A 61 0.769 -0.476 -8.049 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -0.608 -1.014 -9.040 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -2.476 -1.568 -6.640 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.277 -2.684 -8.012 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -1.990 -3.255 -6.352 1.00 1.48 H new ATOM 1005 N GLU A 62 2.657 -2.885 -8.554 1.00 0.81 N ATOM 1006 CA GLU A 62 4.081 -2.604 -8.495 1.00 1.05 C ATOM 1007 C GLU A 62 4.327 -1.109 -8.616 1.00 0.71 C ATOM 1008 O GLU A 62 4.116 -0.520 -9.678 1.00 0.80 O ATOM 1009 CB GLU A 62 4.814 -3.340 -9.616 1.00 1.61 C ATOM 1010 CG GLU A 62 5.570 -4.567 -9.142 1.00 2.42 C ATOM 1011 CD GLU A 62 6.387 -5.206 -10.244 1.00 3.17 C ATOM 1012 OE1 GLU A 62 5.818 -5.972 -11.046 1.00 3.60 O ATOM 1013 OE2 GLU A 62 7.609 -4.954 -10.304 1.00 3.63 O ATOM 0 H GLU A 62 2.312 -3.103 -9.489 1.00 0.81 H new ATOM 0 HA GLU A 62 4.462 -2.951 -7.535 1.00 1.05 H new ATOM 0 HB2 GLU A 62 4.092 -3.639 -10.376 1.00 1.61 H new ATOM 0 HB3 GLU A 62 5.514 -2.654 -10.093 1.00 1.61 H new ATOM 0 HG2 GLU A 62 6.230 -4.288 -8.320 1.00 2.42 H new ATOM 0 HG3 GLU A 62 4.862 -5.297 -8.749 1.00 2.42 H new ATOM 1020 N LEU A 63 4.726 -0.493 -7.521 1.00 0.61 N ATOM 1021 CA LEU A 63 4.969 0.938 -7.498 1.00 0.71 C ATOM 1022 C LEU A 63 6.460 1.222 -7.431 1.00 0.75 C ATOM 1023 O LEU A 63 7.093 0.992 -6.406 1.00 0.94 O ATOM 1024 CB LEU A 63 4.264 1.575 -6.300 1.00 0.97 C ATOM 1025 CG LEU A 63 2.742 1.647 -6.407 1.00 0.92 C ATOM 1026 CD1 LEU A 63 2.090 0.894 -5.259 1.00 1.33 C ATOM 1027 CD2 LEU A 63 2.286 3.096 -6.429 1.00 1.18 C ATOM 0 H LEU A 63 4.890 -0.963 -6.631 1.00 0.61 H new ATOM 0 HA LEU A 63 4.570 1.370 -8.416 1.00 0.71 H new ATOM 0 HB2 LEU A 63 4.523 1.012 -5.404 1.00 0.97 H new ATOM 0 HB3 LEU A 63 4.651 2.585 -6.165 1.00 0.97 H new ATOM 0 HG LEU A 63 2.435 1.174 -7.340 1.00 0.92 H new ATOM 0 HD11 LEU A 63 1.006 0.956 -5.352 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.397 -0.151 -5.289 1.00 1.33 H new ATOM 0 HD13 LEU A 63 2.399 1.336 -4.312 1.00 1.33 H new ATOM 0 HD21 LEU A 63 1.199 3.134 -6.506 1.00 1.18 H new ATOM 0 HD22 LEU A 63 2.603 3.591 -5.511 1.00 1.18 H new ATOM 0 HD23 LEU A 63 2.728 3.604 -7.286 1.00 1.18 H new ATOM 1039 N SER A 64 7.011 1.740 -8.518 1.00 0.78 N ATOM 1040 CA SER A 64 8.421 2.096 -8.561 1.00 0.89 C ATOM 1041 C SER A 64 8.681 3.296 -7.659 1.00 0.82 C ATOM 1042 O SER A 64 9.702 3.364 -6.975 1.00 1.57 O ATOM 1043 CB SER A 64 8.840 2.397 -10.001 1.00 1.13 C ATOM 1044 OG SER A 64 7.781 2.108 -10.906 1.00 1.36 O ATOM 0 H SER A 64 6.503 1.923 -9.383 1.00 0.78 H new ATOM 0 HA SER A 64 9.016 1.257 -8.198 1.00 0.89 H new ATOM 0 HB2 SER A 64 9.125 3.445 -10.090 1.00 1.13 H new ATOM 0 HB3 SER A 64 9.718 1.805 -10.260 1.00 1.13 H new ATOM 0 HG SER A 64 8.069 2.309 -11.821 1.00 1.36 H new ATOM 1050 N ASN A 65 7.697 4.184 -7.581 1.00 1.03 N ATOM 1051 CA ASN A 65 7.765 5.320 -6.676 1.00 0.94 C ATOM 1052 C ASN A 65 6.388 5.926 -6.476 1.00 0.82 C ATOM 1053 O ASN A 65 5.868 6.619 -7.351 1.00 1.16 O ATOM 1054 CB ASN A 65 8.736 6.379 -7.197 1.00 1.03 C ATOM 1055 CG ASN A 65 9.780 6.729 -6.159 1.00 1.41 C ATOM 1056 OD1 ASN A 65 9.951 7.892 -5.794 1.00 2.04 O ATOM 1057 ND2 ASN A 65 10.477 5.716 -5.667 1.00 1.97 N ATOM 0 H ASN A 65 6.842 4.137 -8.135 1.00 1.03 H new ATOM 0 HA ASN A 65 8.133 4.961 -5.715 1.00 0.94 H new ATOM 0 HB2 ASN A 65 9.226 6.013 -8.099 1.00 1.03 H new ATOM 0 HB3 ASN A 65 8.183 7.276 -7.476 1.00 1.03 H new ATOM 0 HD21 ASN A 65 11.189 5.884 -4.956 1.00 1.97 H new ATOM 0 HD22 ASN A 65 10.302 4.768 -5.999 1.00 1.97 H new ATOM 1064 N GLY A 66 5.790 5.638 -5.333 1.00 0.69 N ATOM 1065 CA GLY A 66 4.475 6.157 -5.030 1.00 0.66 C ATOM 1066 C GLY A 66 4.286 6.354 -3.546 1.00 0.61 C ATOM 1067 O GLY A 66 4.964 5.709 -2.746 1.00 0.87 O ATOM 0 H GLY A 66 6.195 5.050 -4.605 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.330 7.106 -5.545 1.00 0.66 H new ATOM 0 HA3 GLY A 66 3.716 5.471 -5.406 1.00 0.66 H new ATOM 1071 N THR A 67 3.427 7.291 -3.178 1.00 0.40 N ATOM 1072 CA THR A 67 3.205 7.610 -1.775 1.00 0.41 C ATOM 1073 C THR A 67 1.714 7.768 -1.472 1.00 0.36 C ATOM 1074 O THR A 67 1.280 7.622 -0.329 1.00 0.39 O ATOM 1075 CB THR A 67 3.956 8.898 -1.383 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.529 9.502 -2.554 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.060 8.590 -0.385 1.00 0.70 C ATOM 0 H THR A 67 2.872 7.844 -3.830 1.00 0.40 H new ATOM 0 HA THR A 67 3.592 6.779 -1.185 1.00 0.41 H new ATOM 0 HB THR A 67 3.246 9.586 -0.924 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.004 10.321 -2.301 1.00 0.63 H new ATOM 0 HG21 THR A 67 5.579 9.511 -0.120 1.00 0.70 H new ATOM 0 HG22 THR A 67 4.627 8.147 0.512 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.768 7.890 -0.830 1.00 0.70 H new ATOM 1085 N ALA A 68 0.932 8.050 -2.509 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.507 8.207 -2.366 1.00 0.47 C ATOM 1087 C ALA A 68 -1.238 7.352 -3.390 1.00 0.47 C ATOM 1088 O ALA A 68 -1.495 7.787 -4.514 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.902 9.671 -2.512 1.00 0.59 C ATOM 0 H ALA A 68 1.275 8.175 -3.461 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.794 7.872 -1.369 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.982 9.769 -2.402 1.00 0.59 H new ATOM 0 HB2 ALA A 68 -0.404 10.261 -1.742 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.603 10.032 -3.496 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.577 6.136 -2.996 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.298 5.232 -3.875 1.00 0.45 C ATOM 1097 C HIS A 69 -3.800 5.360 -3.685 1.00 0.40 C ATOM 1098 O HIS A 69 -4.395 4.685 -2.848 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.869 3.780 -3.667 1.00 0.52 C ATOM 1100 CG HIS A 69 -1.981 2.960 -4.912 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -1.208 3.187 -6.026 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -2.798 1.928 -5.229 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -1.544 2.335 -6.975 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -2.508 1.557 -6.519 1.00 0.75 N ATOM 0 H HIS A 69 -1.365 5.753 -2.075 1.00 0.43 H new ATOM 0 HA HIS A 69 -2.049 5.519 -4.897 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.838 3.757 -3.314 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.484 3.332 -2.886 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.541 1.479 -4.586 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -1.104 2.283 -7.960 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -2.962 0.805 -7.038 1.00 0.75 H new ATOM 1113 N THR A 70 -4.412 6.177 -4.512 1.00 0.41 N ATOM 1114 CA THR A 70 -5.854 6.327 -4.509 1.00 0.44 C ATOM 1115 C THR A 70 -6.509 5.146 -5.218 1.00 0.47 C ATOM 1116 O THR A 70 -6.298 4.940 -6.415 1.00 0.72 O ATOM 1117 CB THR A 70 -6.274 7.625 -5.213 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.112 8.409 -5.523 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.220 8.431 -4.342 1.00 0.84 C ATOM 0 H THR A 70 -3.931 6.754 -5.202 1.00 0.41 H new ATOM 0 HA THR A 70 -6.181 6.363 -3.470 1.00 0.44 H new ATOM 0 HB THR A 70 -6.793 7.363 -6.135 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.385 9.235 -5.974 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.503 9.346 -4.862 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.113 7.842 -4.132 1.00 0.84 H new ATOM 0 HG23 THR A 70 -6.724 8.685 -3.405 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.255 4.347 -4.475 1.00 0.36 N ATOM 1128 CA ILE A 71 -7.915 3.186 -5.050 1.00 0.44 C ATOM 1129 C ILE A 71 -9.424 3.338 -4.975 1.00 0.34 C ATOM 1130 O ILE A 71 -9.981 3.516 -3.897 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.516 1.865 -4.354 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.287 2.053 -3.461 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -7.260 0.785 -5.393 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -6.094 0.936 -2.458 1.00 0.70 C ATOM 0 H ILE A 71 -7.419 4.479 -3.477 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.588 3.135 -6.089 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.343 1.555 -3.716 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.399 2.125 -4.089 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -6.377 2.999 -2.927 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.979 -0.142 -4.893 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -8.165 0.622 -5.979 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -6.452 1.100 -6.053 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -5.205 1.134 -1.859 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -6.965 0.878 -1.806 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -5.972 -0.010 -2.986 1.00 0.70 H new ATOM 1146 N THR A 72 -10.079 3.212 -6.116 1.00 0.37 N ATOM 1147 CA THR A 72 -11.532 3.265 -6.188 1.00 0.33 C ATOM 1148 C THR A 72 -12.080 1.860 -6.392 1.00 0.31 C ATOM 1149 O THR A 72 -13.146 1.656 -6.972 1.00 0.33 O ATOM 1150 CB THR A 72 -11.993 4.168 -7.348 1.00 0.43 C ATOM 1151 OG1 THR A 72 -10.852 4.773 -7.976 1.00 1.33 O ATOM 1152 CG2 THR A 72 -12.942 5.249 -6.855 1.00 1.22 C ATOM 0 H THR A 72 -9.622 3.070 -7.017 1.00 0.37 H new ATOM 0 HA THR A 72 -11.910 3.681 -5.254 1.00 0.33 H new ATOM 0 HB THR A 72 -12.524 3.550 -8.072 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.150 5.345 -8.714 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.252 5.872 -7.694 1.00 1.22 H new ATOM 0 HG22 THR A 72 -13.819 4.785 -6.404 1.00 1.22 H new ATOM 0 HG23 THR A 72 -12.436 5.866 -6.112 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.274 0.890 -5.996 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.600 -0.518 -6.174 1.00 0.40 C ATOM 1162 C ASP A 73 -12.211 -1.100 -4.915 1.00 0.39 C ATOM 1163 O ASP A 73 -12.496 -2.296 -4.846 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.344 -1.300 -6.550 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.577 -2.282 -7.681 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.747 -2.464 -8.083 1.00 1.21 O ATOM 1167 OD2 ASP A 73 -9.600 -2.895 -8.161 1.00 1.31 O ATOM 0 H ASP A 73 -10.375 1.054 -5.542 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.332 -0.598 -6.978 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.559 -0.601 -6.839 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -9.983 -1.840 -5.675 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.231 -0.297 -3.868 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.604 -0.781 -2.555 1.00 0.33 C ATOM 1174 C ALA A 74 -14.092 -0.634 -2.315 1.00 0.35 C ATOM 1175 O ALA A 74 -14.629 0.464 -2.387 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.814 -0.044 -1.490 1.00 0.36 C ATOM 0 H ALA A 74 -11.993 0.694 -3.903 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.367 -1.844 -2.502 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.099 -0.413 -0.505 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.748 -0.212 -1.646 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.026 1.023 -1.553 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.742 -1.736 -1.992 1.00 0.48 N ATOM 1183 CA TYR A 75 -16.162 -1.712 -1.685 1.00 0.52 C ATOM 1184 C TYR A 75 -16.407 -0.907 -0.417 1.00 0.46 C ATOM 1185 O TYR A 75 -15.843 -1.208 0.631 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.696 -3.134 -1.524 1.00 0.71 C ATOM 1187 CG TYR A 75 -16.720 -3.917 -2.817 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -16.967 -3.282 -4.028 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -16.493 -5.286 -2.826 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -16.986 -3.990 -5.210 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -16.509 -6.002 -4.007 1.00 2.26 C ATOM 1192 CZ TYR A 75 -16.756 -5.348 -5.196 1.00 2.21 C ATOM 1193 OH TYR A 75 -16.775 -6.056 -6.376 1.00 2.86 O ATOM 0 H TYR A 75 -14.311 -2.659 -1.935 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.692 -1.237 -2.511 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -16.081 -3.665 -0.798 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -17.706 -3.091 -1.115 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -17.147 -2.217 -4.043 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -16.301 -5.799 -1.895 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -17.180 -3.482 -6.143 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -16.329 -7.067 -4.000 1.00 2.26 H new ATOM 0 HH TYR A 75 -16.593 -7.002 -6.193 1.00 2.86 H new ATOM 1203 N ALA A 76 -17.160 0.176 -0.563 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.426 1.119 0.522 1.00 0.57 C ATOM 1205 C ALA A 76 -17.746 0.423 1.843 1.00 0.50 C ATOM 1206 O ALA A 76 -17.192 0.761 2.888 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.577 2.021 0.127 1.00 0.74 C ATOM 0 H ALA A 76 -17.608 0.429 -1.444 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.518 1.701 0.681 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.780 2.726 0.933 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -18.316 2.569 -0.778 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.465 1.417 -0.059 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.701 -0.488 1.800 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.143 -1.162 3.003 1.00 0.55 C ATOM 1215 C GLY A 77 -18.383 -2.446 3.289 1.00 0.48 C ATOM 1216 O GLY A 77 -18.841 -3.273 4.076 1.00 0.58 O ATOM 0 H GLY A 77 -19.183 -0.776 0.948 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -19.032 -0.486 3.851 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.205 -1.389 2.914 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.225 -2.617 2.669 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.414 -3.806 2.891 1.00 0.49 C ATOM 1222 C LYS A 78 -14.983 -3.419 3.225 1.00 0.43 C ATOM 1223 O LYS A 78 -14.348 -2.661 2.496 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.434 -4.714 1.662 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.197 -6.009 1.879 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.507 -6.014 1.111 1.00 1.62 C ATOM 1227 CE LYS A 78 -19.694 -5.757 2.026 1.00 1.93 C ATOM 1228 NZ LYS A 78 -20.832 -6.665 1.730 1.00 2.32 N ATOM 0 H LYS A 78 -16.826 -1.949 2.009 1.00 0.44 H new ATOM 0 HA LYS A 78 -16.839 -4.351 3.734 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -16.881 -4.173 0.828 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.409 -4.949 1.377 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -16.584 -6.852 1.561 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -17.396 -6.142 2.942 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -18.476 -5.252 0.332 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.633 -6.975 0.612 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -19.387 -5.887 3.064 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -20.018 -4.722 1.917 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -21.620 -6.456 2.376 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -21.143 -6.523 0.748 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -20.531 -7.652 1.859 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.487 -3.925 4.339 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.134 -3.621 4.771 1.00 0.43 C ATOM 1244 C GLU A 79 -12.116 -4.247 3.824 1.00 0.37 C ATOM 1245 O GLU A 79 -12.236 -5.415 3.449 1.00 0.39 O ATOM 1246 CB GLU A 79 -12.907 -4.121 6.195 1.00 0.59 C ATOM 1247 CG GLU A 79 -13.805 -3.450 7.223 1.00 1.13 C ATOM 1248 CD GLU A 79 -13.082 -2.388 8.024 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -12.055 -2.705 8.661 1.00 2.05 O ATOM 1250 OE2 GLU A 79 -13.533 -1.224 8.017 1.00 2.20 O ATOM 0 H GLU A 79 -15.000 -4.549 4.962 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.003 -2.539 4.754 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.075 -5.198 6.225 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -11.865 -3.953 6.469 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -14.658 -2.999 6.716 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -14.201 -4.205 7.902 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.142 -3.453 3.412 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.105 -3.917 2.506 1.00 0.38 C ATOM 1259 C TYR A 80 -8.758 -3.879 3.205 1.00 0.41 C ATOM 1260 O TYR A 80 -8.332 -2.826 3.678 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.055 -3.043 1.251 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.841 -3.593 0.080 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.225 -3.708 0.135 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -10.196 -3.995 -1.082 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.939 -4.209 -0.935 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.905 -4.496 -2.157 1.00 0.64 C ATOM 1267 CZ TYR A 80 -12.276 -4.601 -2.078 1.00 0.66 C ATOM 1268 OH TYR A 80 -12.985 -5.100 -3.144 1.00 0.85 O ATOM 0 H TYR A 80 -11.048 -2.477 3.693 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.336 -4.941 2.211 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.436 -2.052 1.497 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.015 -2.919 0.950 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.749 -3.401 1.028 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -9.121 -3.915 -1.147 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -14.014 -4.294 -0.877 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -10.387 -4.803 -3.054 1.00 0.64 H new ATOM 0 HH TYR A 80 -13.941 -5.100 -2.930 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.084 -5.015 3.257 1.00 0.31 N ATOM 1279 CA ILE A 81 -6.764 -5.077 3.857 1.00 0.33 C ATOM 1280 C ILE A 81 -5.705 -4.738 2.812 1.00 0.29 C ATOM 1281 O ILE A 81 -5.452 -5.513 1.884 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.480 -6.457 4.504 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -4.990 -6.623 4.809 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -6.968 -7.592 3.618 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -4.685 -7.818 5.686 1.00 1.11 C ATOM 0 H ILE A 81 -8.428 -5.903 2.892 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.726 -4.340 4.659 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.031 -6.498 5.443 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.444 -6.721 3.871 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.624 -5.720 5.298 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -6.755 -8.547 4.099 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.043 -7.496 3.463 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.457 -7.548 2.656 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -3.611 -7.875 5.862 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.204 -7.712 6.639 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.020 -8.729 5.190 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.198 -3.519 2.891 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.243 -3.016 1.923 1.00 0.30 C ATOM 1299 C ILE A 82 -2.822 -3.202 2.441 1.00 0.32 C ATOM 1300 O ILE A 82 -2.304 -2.374 3.189 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.499 -1.524 1.608 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.940 -1.324 1.133 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.522 -1.014 0.557 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.614 -0.110 1.730 1.00 0.64 C ATOM 0 H ILE A 82 -5.437 -2.854 3.626 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.367 -3.585 1.001 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.345 -0.951 2.522 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -5.946 -1.234 0.047 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.522 -2.211 1.383 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.723 0.038 0.353 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.502 -1.124 0.925 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -3.641 -1.590 -0.360 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.632 -0.034 1.347 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.641 -0.206 2.815 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -6.056 0.786 1.459 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.221 -4.326 2.090 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.882 -4.647 2.545 1.00 0.34 C ATOM 1318 C GLN A 83 0.163 -4.032 1.629 1.00 0.29 C ATOM 1319 O GLN A 83 0.119 -4.205 0.411 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.685 -6.160 2.617 1.00 0.44 C ATOM 1321 CG GLN A 83 0.547 -6.573 3.406 1.00 0.60 C ATOM 1322 CD GLN A 83 0.262 -7.681 4.400 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -0.571 -8.551 4.155 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.950 -7.655 5.532 1.00 0.64 N ATOM 0 H GLN A 83 -2.643 -5.034 1.488 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.759 -4.228 3.544 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.567 -6.612 3.071 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.609 -6.557 1.605 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.323 -6.902 2.714 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.940 -5.706 3.937 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.633 -6.915 5.697 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.797 -8.375 6.238 1.00 0.64 H new ATOM 1333 N VAL A 84 1.080 -3.296 2.227 1.00 0.28 N ATOM 1334 CA VAL A 84 2.145 -2.640 1.493 1.00 0.28 C ATOM 1335 C VAL A 84 3.496 -3.242 1.869 1.00 0.28 C ATOM 1336 O VAL A 84 3.843 -3.320 3.054 1.00 0.32 O ATOM 1337 CB VAL A 84 2.163 -1.120 1.775 1.00 0.35 C ATOM 1338 CG1 VAL A 84 3.185 -0.418 0.893 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.780 -0.518 1.571 1.00 0.51 C ATOM 0 H VAL A 84 1.108 -3.136 3.234 1.00 0.28 H new ATOM 0 HA VAL A 84 1.960 -2.795 0.430 1.00 0.28 H new ATOM 0 HB VAL A 84 2.452 -0.973 2.816 1.00 0.35 H new ATOM 0 HG11 VAL A 84 3.180 0.650 1.109 1.00 0.36 H new ATOM 0 HG12 VAL A 84 4.177 -0.823 1.092 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.932 -0.577 -0.155 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.815 0.552 1.775 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.460 -0.681 0.542 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.072 -0.993 2.250 1.00 0.51 H new ATOM 1349 N ALA A 85 4.246 -3.677 0.864 1.00 0.31 N ATOM 1350 CA ALA A 85 5.569 -4.250 1.078 1.00 0.36 C ATOM 1351 C ALA A 85 6.652 -3.288 0.604 1.00 0.30 C ATOM 1352 O ALA A 85 6.349 -2.207 0.096 1.00 0.37 O ATOM 1353 CB ALA A 85 5.699 -5.584 0.361 1.00 0.49 C ATOM 0 H ALA A 85 3.958 -3.643 -0.114 1.00 0.31 H new ATOM 0 HA ALA A 85 5.697 -4.419 2.147 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.694 -5.994 0.534 1.00 0.49 H new ATOM 0 HB2 ALA A 85 4.949 -6.277 0.743 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.547 -5.439 -0.709 1.00 0.49 H new ATOM 1359 N ALA A 86 7.908 -3.680 0.771 1.00 0.35 N ATOM 1360 CA ALA A 86 9.025 -2.833 0.388 1.00 0.45 C ATOM 1361 C ALA A 86 10.120 -3.621 -0.317 1.00 0.40 C ATOM 1362 O ALA A 86 10.247 -4.834 -0.138 1.00 0.55 O ATOM 1363 CB ALA A 86 9.597 -2.145 1.619 1.00 0.70 C ATOM 0 H ALA A 86 8.177 -4.580 1.169 1.00 0.35 H new ATOM 0 HA ALA A 86 8.649 -2.087 -0.313 1.00 0.45 H new ATOM 0 HB1 ALA A 86 10.434 -1.511 1.326 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.825 -1.533 2.086 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.942 -2.897 2.329 1.00 0.70 H new ATOM 1369 N LYS A 87 10.916 -2.902 -1.093 1.00 0.46 N ATOM 1370 CA LYS A 87 12.058 -3.461 -1.804 1.00 0.49 C ATOM 1371 C LYS A 87 12.826 -2.318 -2.455 1.00 0.61 C ATOM 1372 O LYS A 87 12.233 -1.304 -2.810 1.00 0.80 O ATOM 1373 CB LYS A 87 11.602 -4.465 -2.867 1.00 0.62 C ATOM 1374 CG LYS A 87 12.731 -5.027 -3.720 1.00 0.69 C ATOM 1375 CD LYS A 87 12.206 -5.630 -5.012 1.00 0.91 C ATOM 1376 CE LYS A 87 12.610 -4.809 -6.224 1.00 1.08 C ATOM 1377 NZ LYS A 87 13.204 -5.651 -7.295 1.00 1.33 N ATOM 0 H LYS A 87 10.787 -1.902 -1.249 1.00 0.46 H new ATOM 0 HA LYS A 87 12.699 -3.992 -1.101 1.00 0.49 H new ATOM 0 HB2 LYS A 87 11.088 -5.291 -2.374 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.875 -3.981 -3.519 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.443 -4.235 -3.950 1.00 0.69 H new ATOM 0 HG3 LYS A 87 13.271 -5.787 -3.156 1.00 0.69 H new ATOM 0 HD2 LYS A 87 12.585 -6.646 -5.119 1.00 0.91 H new ATOM 0 HD3 LYS A 87 11.119 -5.699 -4.966 1.00 0.91 H new ATOM 0 HE2 LYS A 87 11.737 -4.287 -6.616 1.00 1.08 H new ATOM 0 HE3 LYS A 87 13.328 -4.047 -5.922 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 13.466 -5.051 -8.103 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 14.052 -6.129 -6.930 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 12.510 -6.362 -7.602 1.00 1.33 H new ATOM 1391 N ASP A 88 14.135 -2.456 -2.584 1.00 0.67 N ATOM 1392 CA ASP A 88 14.937 -1.409 -3.206 1.00 0.81 C ATOM 1393 C ASP A 88 14.813 -1.489 -4.723 1.00 0.90 C ATOM 1394 O ASP A 88 14.673 -2.579 -5.284 1.00 1.00 O ATOM 1395 CB ASP A 88 16.403 -1.516 -2.784 1.00 0.96 C ATOM 1396 CG ASP A 88 17.247 -0.396 -3.359 1.00 1.22 C ATOM 1397 OD1 ASP A 88 17.322 0.683 -2.741 1.00 1.53 O ATOM 1398 OD2 ASP A 88 17.840 -0.587 -4.437 1.00 1.42 O ATOM 0 H ASP A 88 14.662 -3.271 -2.271 1.00 0.67 H new ATOM 0 HA ASP A 88 14.561 -0.443 -2.869 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.469 -1.496 -1.696 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.804 -2.475 -3.110 1.00 0.96 H new ATOM 1403 N ASN A 89 14.746 -0.335 -5.373 1.00 1.00 N ATOM 1404 CA ASN A 89 14.511 -0.283 -6.815 1.00 1.17 C ATOM 1405 C ASN A 89 15.750 -0.692 -7.607 1.00 1.27 C ATOM 1406 O ASN A 89 15.658 -1.006 -8.794 1.00 1.46 O ATOM 1407 CB ASN A 89 14.076 1.120 -7.236 1.00 1.30 C ATOM 1408 CG ASN A 89 12.970 1.108 -8.277 1.00 1.53 C ATOM 1409 OD1 ASN A 89 11.868 1.594 -8.035 1.00 1.91 O ATOM 1410 ND2 ASN A 89 13.256 0.566 -9.448 1.00 1.75 N ATOM 0 H ASN A 89 14.850 0.577 -4.929 1.00 1.00 H new ATOM 0 HA ASN A 89 13.715 -0.994 -7.037 1.00 1.17 H new ATOM 0 HB2 ASN A 89 13.735 1.668 -6.358 1.00 1.30 H new ATOM 0 HB3 ASN A 89 14.937 1.658 -7.634 1.00 1.30 H new ATOM 0 HD21 ASN A 89 12.551 0.542 -10.185 1.00 1.75 H new ATOM 0 HD22 ASN A 89 14.182 0.171 -9.615 1.00 1.75 H new ATOM 1417 N GLU A 90 16.898 -0.708 -6.948 1.00 1.29 N ATOM 1418 CA GLU A 90 18.142 -1.100 -7.593 1.00 1.46 C ATOM 1419 C GLU A 90 18.554 -2.498 -7.151 1.00 1.44 C ATOM 1420 O GLU A 90 18.736 -3.397 -7.976 1.00 1.57 O ATOM 1421 CB GLU A 90 19.249 -0.099 -7.258 1.00 1.60 C ATOM 1422 CG GLU A 90 19.296 1.090 -8.202 1.00 1.82 C ATOM 1423 CD GLU A 90 19.608 0.688 -9.627 1.00 1.96 C ATOM 1424 OE1 GLU A 90 20.582 -0.063 -9.840 1.00 2.17 O ATOM 1425 OE2 GLU A 90 18.879 1.120 -10.546 1.00 2.26 O ATOM 0 H GLU A 90 16.994 -0.454 -5.965 1.00 1.29 H new ATOM 0 HA GLU A 90 17.984 -1.107 -8.672 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.106 0.261 -6.239 1.00 1.60 H new ATOM 0 HB3 GLU A 90 20.211 -0.611 -7.283 1.00 1.60 H new ATOM 0 HG2 GLU A 90 18.337 1.608 -8.176 1.00 1.82 H new ATOM 0 HG3 GLU A 90 20.050 1.796 -7.854 1.00 1.82 H new ATOM 1432 N ILE A 91 18.651 -2.685 -5.843 1.00 1.38 N ATOM 1433 CA ILE A 91 19.013 -3.972 -5.269 1.00 1.45 C ATOM 1434 C ILE A 91 17.761 -4.788 -4.983 1.00 1.48 C ATOM 1435 O ILE A 91 16.787 -4.275 -4.432 1.00 1.79 O ATOM 1436 CB ILE A 91 19.825 -3.805 -3.964 1.00 1.63 C ATOM 1437 CG1 ILE A 91 20.878 -2.700 -4.120 1.00 2.02 C ATOM 1438 CG2 ILE A 91 20.480 -5.123 -3.568 1.00 1.69 C ATOM 1439 CD1 ILE A 91 22.047 -3.085 -5.004 1.00 2.51 C ATOM 0 H ILE A 91 18.482 -1.953 -5.153 1.00 1.38 H new ATOM 0 HA ILE A 91 19.636 -4.492 -5.996 1.00 1.45 H new ATOM 0 HB ILE A 91 19.140 -3.512 -3.169 1.00 1.63 H new ATOM 0 HG12 ILE A 91 20.400 -1.812 -4.533 1.00 2.02 H new ATOM 0 HG13 ILE A 91 21.255 -2.429 -3.134 1.00 2.02 H new ATOM 0 HG21 ILE A 91 21.047 -4.985 -2.647 1.00 1.69 H new ATOM 0 HG22 ILE A 91 19.711 -5.879 -3.411 1.00 1.69 H new ATOM 0 HG23 ILE A 91 21.152 -5.449 -4.362 1.00 1.69 H new ATOM 0 HD11 ILE A 91 22.747 -2.252 -5.064 1.00 2.51 H new ATOM 0 HD12 ILE A 91 22.552 -3.954 -4.582 1.00 2.51 H new ATOM 0 HD13 ILE A 91 21.684 -3.327 -6.003 1.00 2.51 H new ATOM 1451 N GLY A 92 17.760 -6.038 -5.419 1.00 1.53 N ATOM 1452 CA GLY A 92 16.590 -6.879 -5.273 1.00 1.75 C ATOM 1453 C GLY A 92 16.439 -7.464 -3.882 1.00 1.30 C ATOM 1454 O GLY A 92 16.180 -8.658 -3.732 1.00 1.27 O ATOM 0 H GLY A 92 18.554 -6.488 -5.874 1.00 1.53 H new ATOM 0 HA2 GLY A 92 15.701 -6.296 -5.513 1.00 1.75 H new ATOM 0 HA3 GLY A 92 16.643 -7.692 -5.997 1.00 1.75 H new ATOM 1458 N THR A 93 16.525 -6.615 -2.872 1.00 1.16 N ATOM 1459 CA THR A 93 16.316 -7.035 -1.499 1.00 0.92 C ATOM 1460 C THR A 93 14.840 -6.911 -1.132 1.00 0.81 C ATOM 1461 O THR A 93 14.339 -5.808 -0.900 1.00 0.82 O ATOM 1462 CB THR A 93 17.162 -6.199 -0.525 1.00 1.19 C ATOM 1463 OG1 THR A 93 18.076 -5.367 -1.254 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.938 -7.097 0.425 1.00 1.62 C ATOM 0 H THR A 93 16.740 -5.624 -2.980 1.00 1.16 H new ATOM 0 HA THR A 93 16.627 -8.077 -1.417 1.00 0.92 H new ATOM 0 HB THR A 93 16.488 -5.572 0.059 1.00 1.19 H new ATOM 0 HG1 THR A 93 18.609 -4.837 -0.625 1.00 1.75 H new ATOM 0 HG21 THR A 93 18.529 -6.483 1.105 1.00 1.62 H new ATOM 0 HG22 THR A 93 17.241 -7.707 1.000 1.00 1.62 H new ATOM 0 HG23 THR A 93 18.601 -7.746 -0.148 1.00 1.62 H new ATOM 1472 N TRP A 94 14.133 -8.030 -1.191 1.00 0.78 N ATOM 1473 CA TRP A 94 12.695 -8.052 -0.954 1.00 0.75 C ATOM 1474 C TRP A 94 12.380 -8.078 0.538 1.00 0.74 C ATOM 1475 O TRP A 94 12.805 -8.987 1.254 1.00 0.89 O ATOM 1476 CB TRP A 94 12.070 -9.282 -1.621 1.00 0.82 C ATOM 1477 CG TRP A 94 11.119 -8.959 -2.728 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.431 -8.759 -4.039 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.697 -8.819 -2.628 1.00 1.04 C ATOM 1480 NE1 TRP A 94 10.293 -8.499 -4.762 1.00 1.13 N ATOM 1481 CE2 TRP A 94 9.217 -8.531 -3.917 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.784 -8.908 -1.574 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 7.863 -8.335 -4.182 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 7.441 -8.711 -1.837 1.00 1.55 C ATOM 1485 CH2 TRP A 94 6.993 -8.429 -3.132 1.00 1.63 C ATOM 0 H TRP A 94 14.535 -8.943 -1.403 1.00 0.78 H new ATOM 0 HA TRP A 94 12.274 -7.143 -1.384 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.867 -9.913 -2.014 1.00 0.82 H new ATOM 0 HB3 TRP A 94 11.545 -9.865 -0.864 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.429 -8.799 -4.450 1.00 0.93 H new ATOM 0 HE1 TRP A 94 10.256 -8.313 -5.764 1.00 1.13 H new ATOM 0 HE3 TRP A 94 9.121 -9.127 -0.572 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 7.514 -8.117 -5.180 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.726 -8.776 -1.030 1.00 1.55 H new ATOM 0 HH2 TRP A 94 5.937 -8.282 -3.306 1.00 1.63 H new ATOM 1496 N SER A 95 11.547 -7.150 0.978 1.00 0.65 N ATOM 1497 CA SER A 95 11.055 -7.161 2.344 1.00 0.65 C ATOM 1498 C SER A 95 9.770 -7.976 2.414 1.00 0.63 C ATOM 1499 O SER A 95 9.185 -8.315 1.383 1.00 0.72 O ATOM 1500 CB SER A 95 10.806 -5.734 2.839 1.00 0.68 C ATOM 1501 OG SER A 95 11.905 -4.890 2.542 1.00 0.94 O ATOM 0 H SER A 95 11.198 -6.379 0.408 1.00 0.65 H new ATOM 0 HA SER A 95 11.807 -7.617 2.988 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.903 -5.337 2.374 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.632 -5.744 3.915 1.00 0.68 H new ATOM 0 HG SER A 95 12.033 -4.250 3.273 1.00 0.94 H new ATOM 1507 N ASP A 96 9.321 -8.277 3.620 1.00 0.69 N ATOM 1508 CA ASP A 96 8.088 -9.032 3.804 1.00 0.74 C ATOM 1509 C ASP A 96 6.879 -8.134 3.570 1.00 0.63 C ATOM 1510 O ASP A 96 6.991 -6.905 3.633 1.00 0.53 O ATOM 1511 CB ASP A 96 8.032 -9.621 5.217 1.00 0.94 C ATOM 1512 CG ASP A 96 7.319 -10.961 5.270 1.00 1.28 C ATOM 1513 OD1 ASP A 96 6.227 -11.077 4.674 1.00 1.57 O ATOM 1514 OD2 ASP A 96 7.850 -11.902 5.898 1.00 1.94 O ATOM 0 H ASP A 96 9.789 -8.012 4.487 1.00 0.69 H new ATOM 0 HA ASP A 96 8.070 -9.846 3.080 1.00 0.74 H new ATOM 0 HB2 ASP A 96 9.047 -9.740 5.596 1.00 0.94 H new ATOM 0 HB3 ASP A 96 7.525 -8.919 5.878 1.00 0.94 H new ATOM 1519 N TRP A 97 5.713 -8.745 3.403 1.00 0.76 N ATOM 1520 CA TRP A 97 4.469 -7.996 3.301 1.00 0.73 C ATOM 1521 C TRP A 97 4.183 -7.349 4.644 1.00 0.60 C ATOM 1522 O TRP A 97 3.967 -8.046 5.635 1.00 0.76 O ATOM 1523 CB TRP A 97 3.319 -8.917 2.887 1.00 0.99 C ATOM 1524 CG TRP A 97 3.420 -9.384 1.467 1.00 1.31 C ATOM 1525 CD1 TRP A 97 3.764 -10.632 1.040 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.179 -8.608 0.290 1.00 1.05 C ATOM 1527 NE1 TRP A 97 3.754 -10.678 -0.332 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.400 -9.449 -0.816 1.00 1.53 C ATOM 1529 CE3 TRP A 97 2.799 -7.282 0.062 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.253 -9.008 -2.127 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 2.656 -6.846 -1.242 1.00 1.38 C ATOM 1532 CH2 TRP A 97 2.883 -7.707 -2.321 1.00 1.26 C ATOM 0 H TRP A 97 5.604 -9.757 3.335 1.00 0.76 H new ATOM 0 HA TRP A 97 4.564 -7.225 2.536 1.00 0.73 H new ATOM 0 HB2 TRP A 97 3.300 -9.784 3.547 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.374 -8.392 3.024 1.00 0.99 H new ATOM 0 HD1 TRP A 97 4.008 -11.462 1.686 1.00 2.12 H new ATOM 0 HE1 TRP A 97 3.975 -11.497 -0.899 1.00 2.24 H new ATOM 0 HE3 TRP A 97 2.621 -6.611 0.889 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.425 -9.671 -2.962 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 2.364 -5.823 -1.431 1.00 1.38 H new ATOM 0 HH2 TRP A 97 2.763 -7.336 -3.328 1.00 1.26 H new ATOM 1543 N SER A 98 4.491 -6.068 4.734 1.00 0.41 N ATOM 1544 CA SER A 98 4.581 -5.412 6.021 1.00 0.42 C ATOM 1545 C SER A 98 3.257 -4.798 6.475 1.00 0.38 C ATOM 1546 O SER A 98 2.524 -5.410 7.254 1.00 0.46 O ATOM 1547 CB SER A 98 5.680 -4.355 5.961 1.00 0.51 C ATOM 1548 OG SER A 98 6.375 -4.422 4.725 1.00 0.50 O ATOM 0 H SER A 98 4.682 -5.465 3.934 1.00 0.41 H new ATOM 0 HA SER A 98 4.827 -6.169 6.766 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.245 -3.363 6.086 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.378 -4.502 6.785 1.00 0.51 H new ATOM 0 HG SER A 98 6.642 -5.349 4.550 1.00 0.50 H new ATOM 1554 N VAL A 99 2.998 -3.560 6.077 1.00 0.33 N ATOM 1555 CA VAL A 99 1.855 -2.825 6.600 1.00 0.34 C ATOM 1556 C VAL A 99 0.569 -3.188 5.881 1.00 0.32 C ATOM 1557 O VAL A 99 0.297 -2.702 4.787 1.00 0.34 O ATOM 1558 CB VAL A 99 2.068 -1.304 6.521 1.00 0.42 C ATOM 1559 CG1 VAL A 99 1.168 -0.595 7.520 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.526 -0.956 6.772 1.00 1.32 C ATOM 0 H VAL A 99 3.560 -3.046 5.398 1.00 0.33 H new ATOM 0 HA VAL A 99 1.765 -3.115 7.647 1.00 0.34 H new ATOM 0 HB VAL A 99 1.805 -0.967 5.518 1.00 0.42 H new ATOM 0 HG11 VAL A 99 1.328 0.481 7.454 1.00 1.21 H new ATOM 0 HG12 VAL A 99 0.126 -0.821 7.295 1.00 1.21 H new ATOM 0 HG13 VAL A 99 1.404 -0.936 8.528 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.658 0.124 6.712 1.00 1.32 H new ATOM 0 HG22 VAL A 99 3.817 -1.303 7.763 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.150 -1.440 6.021 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.238 -4.001 6.535 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.542 -4.374 6.020 1.00 0.41 C ATOM 1572 C ALA A 100 -2.604 -3.406 6.524 1.00 0.43 C ATOM 1573 O ALA A 100 -3.336 -3.711 7.466 1.00 0.61 O ATOM 1574 CB ALA A 100 -1.878 -5.796 6.433 1.00 0.50 C ATOM 0 H ALA A 100 -0.009 -4.421 7.436 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.519 -4.324 4.931 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -2.859 -6.066 6.042 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.127 -6.478 6.034 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.890 -5.866 7.521 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.648 -2.226 5.926 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.592 -1.195 6.328 1.00 0.36 C ATOM 1582 C ALA A 101 -4.998 -1.535 5.849 1.00 0.41 C ATOM 1583 O ALA A 101 -5.330 -1.351 4.681 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.153 0.159 5.787 1.00 0.42 C ATOM 0 H ALA A 101 -2.036 -1.957 5.155 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.609 -1.146 7.417 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -3.867 0.923 6.094 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.167 0.405 6.180 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.110 0.119 4.699 1.00 0.42 H new ATOM 1590 N HIS A 102 -5.824 -2.030 6.755 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.202 -2.369 6.417 1.00 0.57 C ATOM 1592 C HIS A 102 -8.128 -1.219 6.776 1.00 0.50 C ATOM 1593 O HIS A 102 -8.070 -0.694 7.887 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.667 -3.659 7.113 1.00 0.95 C ATOM 1595 CG HIS A 102 -7.123 -3.869 8.495 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -7.634 -3.246 9.611 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -6.115 -4.655 8.936 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -6.962 -3.637 10.677 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -6.034 -4.493 10.296 1.00 2.00 N ATOM 0 H HIS A 102 -5.569 -2.207 7.727 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.240 -2.545 5.342 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -8.756 -3.653 7.165 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -7.382 -4.510 6.494 1.00 0.95 H new ATOM 0 HD2 HIS A 102 -5.489 -5.293 8.329 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -7.142 -3.311 11.691 1.00 2.18 H new ATOM 0 HE2 HIS A 102 -5.366 -4.958 10.911 1.00 2.00 H new ATOM 1608 N ALA A 103 -8.949 -0.805 5.824 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.865 0.307 6.033 1.00 0.54 C ATOM 1610 C ALA A 103 -11.099 0.167 5.151 1.00 0.36 C ATOM 1611 O ALA A 103 -11.279 -0.850 4.481 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.163 1.630 5.761 1.00 0.91 C ATOM 0 H ALA A 103 -9.000 -1.224 4.895 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.189 0.292 7.074 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.861 2.452 5.921 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.314 1.737 6.437 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.810 1.650 4.730 1.00 0.91 H new ATOM 1618 N THR A 104 -11.941 1.192 5.161 1.00 0.41 N ATOM 1619 CA THR A 104 -13.173 1.199 4.383 1.00 0.38 C ATOM 1620 C THR A 104 -13.361 2.554 3.712 1.00 0.41 C ATOM 1621 O THR A 104 -13.057 3.583 4.319 1.00 0.51 O ATOM 1622 CB THR A 104 -14.392 0.928 5.289 1.00 0.50 C ATOM 1623 OG1 THR A 104 -13.998 0.975 6.673 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.017 -0.423 4.980 1.00 0.70 C ATOM 0 H THR A 104 -11.790 2.040 5.707 1.00 0.41 H new ATOM 0 HA THR A 104 -13.098 0.415 3.630 1.00 0.38 H new ATOM 0 HB THR A 104 -15.135 1.702 5.095 1.00 0.50 H new ATOM 0 HG1 THR A 104 -13.855 0.064 7.003 1.00 0.73 H new ATOM 0 HG21 THR A 104 -15.873 -0.586 5.634 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.345 -0.443 3.941 1.00 0.70 H new ATOM 0 HG23 THR A 104 -14.281 -1.210 5.143 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.797 2.583 2.437 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.040 3.837 1.719 1.00 0.38 C ATOM 1634 C PRO A 105 -15.230 4.614 2.304 1.00 0.40 C ATOM 1635 O PRO A 105 -15.437 4.623 3.520 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.332 3.407 0.277 1.00 0.44 C ATOM 1637 CG PRO A 105 -13.962 1.965 0.185 1.00 0.45 C ATOM 1638 CD PRO A 105 -14.028 1.408 1.584 1.00 0.40 C ATOM 0 HA PRO A 105 -13.187 4.511 1.794 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.384 3.554 0.033 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.754 4.002 -0.430 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -14.646 1.432 -0.476 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -12.961 1.849 -0.231 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.996 0.949 1.787 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -13.271 0.640 1.746 1.00 0.40 H new ATOM 1646 N TRP A 106 -15.985 5.306 1.453 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.094 6.137 1.924 1.00 0.41 C ATOM 1648 C TRP A 106 -18.121 5.301 2.692 1.00 0.48 C ATOM 1649 O TRP A 106 -18.184 4.077 2.543 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.735 6.906 0.740 1.00 0.51 C ATOM 1651 CG TRP A 106 -19.070 6.393 0.242 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.486 5.097 0.155 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -20.140 7.181 -0.294 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -20.760 5.033 -0.342 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -21.181 6.296 -0.637 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -20.330 8.545 -0.503 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -22.385 6.733 -1.175 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -21.525 8.979 -1.046 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -22.541 8.075 -1.372 1.00 1.07 C ATOM 0 H TRP A 106 -15.852 5.309 0.442 1.00 0.35 H new ATOM 0 HA TRP A 106 -16.703 6.877 2.623 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -17.860 7.947 1.037 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.033 6.894 -0.094 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -18.893 4.240 0.439 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.305 4.180 -0.471 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -19.556 9.252 -0.245 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -23.170 6.036 -1.428 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -21.676 10.034 -1.221 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -23.467 8.445 -1.787 1.00 1.07 H new ATOM 1670 N THR A 107 -18.945 5.960 3.482 1.00 0.60 N ATOM 1671 CA THR A 107 -19.993 5.266 4.198 1.00 0.75 C ATOM 1672 C THR A 107 -21.357 5.843 3.853 1.00 0.82 C ATOM 1673 O THR A 107 -21.745 6.902 4.351 1.00 0.89 O ATOM 1674 CB THR A 107 -19.773 5.311 5.719 1.00 0.96 C ATOM 1675 OG1 THR A 107 -18.541 5.987 6.024 1.00 1.19 O ATOM 1676 CG2 THR A 107 -19.741 3.900 6.290 1.00 1.19 C ATOM 0 H THR A 107 -18.909 6.967 3.643 1.00 0.60 H new ATOM 0 HA THR A 107 -19.958 4.223 3.884 1.00 0.75 H new ATOM 0 HB THR A 107 -20.600 5.858 6.172 1.00 0.96 H new ATOM 0 HG1 THR A 107 -18.413 6.011 6.995 1.00 1.19 H new ATOM 0 HG21 THR A 107 -19.585 3.947 7.368 1.00 1.19 H new ATOM 0 HG22 THR A 107 -20.688 3.402 6.082 1.00 1.19 H new ATOM 0 HG23 THR A 107 -18.927 3.339 5.829 1.00 1.19 H new ATOM 1684 N GLU A 108 -22.068 5.149 2.970 1.00 1.03 N ATOM 1685 CA GLU A 108 -23.398 5.563 2.550 1.00 1.27 C ATOM 1686 C GLU A 108 -24.336 5.570 3.745 1.00 1.32 C ATOM 1687 O GLU A 108 -24.928 6.594 4.089 1.00 1.87 O ATOM 1688 CB GLU A 108 -23.926 4.612 1.477 1.00 1.77 C ATOM 1689 CG GLU A 108 -24.953 5.243 0.556 1.00 2.11 C ATOM 1690 CD GLU A 108 -25.204 4.415 -0.685 1.00 2.75 C ATOM 1691 OE1 GLU A 108 -24.240 3.837 -1.229 1.00 3.11 O ATOM 1692 OE2 GLU A 108 -26.369 4.335 -1.120 1.00 3.25 O ATOM 0 H GLU A 108 -21.739 4.290 2.529 1.00 1.03 H new ATOM 0 HA GLU A 108 -23.344 6.569 2.134 1.00 1.27 H new ATOM 0 HB2 GLU A 108 -23.089 4.251 0.880 1.00 1.77 H new ATOM 0 HB3 GLU A 108 -24.371 3.743 1.961 1.00 1.77 H new ATOM 0 HG2 GLU A 108 -25.890 5.374 1.097 1.00 2.11 H new ATOM 0 HG3 GLU A 108 -24.612 6.236 0.264 1.00 2.11 H new ATOM 1699 N GLU A 109 -24.372 4.442 4.432 1.00 1.51 N ATOM 1700 CA GLU A 109 -25.125 4.308 5.667 1.00 1.77 C ATOM 1701 C GLU A 109 -24.278 3.568 6.689 1.00 2.52 C ATOM 1702 O GLU A 109 -23.602 2.595 6.299 1.00 3.20 O ATOM 1703 CB GLU A 109 -26.438 3.551 5.440 1.00 2.25 C ATOM 1704 CG GLU A 109 -26.962 3.632 4.016 1.00 2.64 C ATOM 1705 CD GLU A 109 -27.378 2.284 3.475 1.00 3.64 C ATOM 1706 OE1 GLU A 109 -28.241 1.623 4.097 1.00 3.99 O ATOM 1707 OE2 GLU A 109 -26.844 1.871 2.426 1.00 4.37 O ATOM 1708 OXT GLU A 109 -24.264 3.973 7.868 1.00 2.99 O ATOM 0 H GLU A 109 -23.881 3.594 4.150 1.00 1.51 H new ATOM 0 HA GLU A 109 -25.371 5.305 6.033 1.00 1.77 H new ATOM 0 HB2 GLU A 109 -26.291 2.503 5.703 1.00 2.25 H new ATOM 0 HB3 GLU A 109 -27.195 3.946 6.117 1.00 2.25 H new ATOM 0 HG2 GLU A 109 -27.814 4.311 3.984 1.00 2.64 H new ATOM 0 HG3 GLU A 109 -26.191 4.056 3.372 1.00 2.64 H new TER 1715 GLU A 109