USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 437 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 147 CYS SG : rot 177:sc= 0.533 USER MOD Set 1.2: A 150 CYS SG : rot 126:sc= 0.374 USER MOD Set 1.3: A 168 CYS SG : rot 55:sc= -3.75! USER MOD Set 1.4: A 171 CYS SG : rot -103:sc= 0.606 USER MOD Set 2.1: A 120 CYS SG : rot -118:sc= -3.34! USER MOD Set 2.2: A 123 CYS SG : rot 180:sc= 0.749 USER MOD Set 2.3: A 141 HIS :FLIP no HE2:sc= -1.31 F(o=-4.9!,f=-4.1) USER MOD Set 2.4: A 143 THR OG1 : rot 86:sc= 1.4 USER MOD Set 2.5: A 144 CYS SG : rot -167:sc= -1.62! USER MOD Set 3.1: A 132 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.025) USER MOD Set 3.2: A 134 MET CE :methyl -154:sc= -1.19 (180deg=-2.92!) USER MOD Single : A 119 LYS NZ :NH3+ 166:sc= -0.0476 (180deg=-0.285) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= -1.29 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.103) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot -77:sc= 0.745 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= 0.747 K(o=0.75,f=-4.7!) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 171:sc= 1.14 (180deg=1.06) USER MOD Single : A 167 TYR OH : rot 61:sc= 0.725 USER MOD Single : A 169 LYS NZ :NH3+ -169:sc= -0.0271 (180deg=-0.207) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 ASN : amide:sc= -0.231 K(o=-0.23,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 12.509 3.207 0.628 1.00 0.89 N ATOM 2 CA LYS A 119 12.933 2.023 -0.095 1.00 0.80 C ATOM 3 C LYS A 119 12.039 0.824 0.177 1.00 0.78 C ATOM 4 O LYS A 119 11.400 0.732 1.226 1.00 0.90 O ATOM 5 CB LYS A 119 14.375 1.708 0.284 1.00 0.93 C ATOM 6 CG LYS A 119 14.619 1.675 1.780 1.00 1.51 C ATOM 7 CD LYS A 119 16.072 1.978 2.093 1.00 1.54 C ATOM 8 CE LYS A 119 16.439 3.412 1.721 1.00 2.16 C ATOM 9 NZ LYS A 119 15.616 4.414 2.454 1.00 2.76 N ATOM 0 HA LYS A 119 12.857 2.230 -1.163 1.00 0.80 H new ATOM 0 HB2 LYS A 119 14.651 0.743 -0.141 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.031 2.454 -0.166 1.00 0.93 H new ATOM 0 HG2 LYS A 119 13.976 2.403 2.275 1.00 1.51 H new ATOM 0 HG3 LYS A 119 14.353 0.695 2.175 1.00 1.51 H new ATOM 0 HD2 LYS A 119 16.257 1.818 3.155 1.00 1.54 H new ATOM 0 HD3 LYS A 119 16.714 1.285 1.550 1.00 1.54 H new ATOM 0 HE2 LYS A 119 17.494 3.583 1.938 1.00 2.16 H new ATOM 0 HE3 LYS A 119 16.307 3.552 0.648 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 16.047 5.355 2.357 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 14.655 4.431 2.057 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 15.570 4.156 3.461 1.00 2.76 H new ATOM 23 N CYS A 120 12.011 -0.082 -0.793 1.00 0.70 N ATOM 24 CA CYS A 120 11.321 -1.355 -0.679 1.00 0.72 C ATOM 25 C CYS A 120 12.173 -2.310 0.144 1.00 0.76 C ATOM 26 O CYS A 120 13.208 -2.774 -0.328 1.00 0.80 O ATOM 27 CB CYS A 120 11.083 -1.911 -2.092 1.00 0.67 C ATOM 28 SG CYS A 120 10.685 -3.694 -2.220 1.00 0.74 S ATOM 0 H CYS A 120 12.474 0.052 -1.692 1.00 0.70 H new ATOM 0 HA CYS A 120 10.360 -1.232 -0.180 1.00 0.72 H new ATOM 0 HB2 CYS A 120 10.268 -1.347 -2.546 1.00 0.67 H new ATOM 0 HB3 CYS A 120 11.975 -1.718 -2.688 1.00 0.67 H new ATOM 0 HG CYS A 120 11.602 -4.294 -2.920 1.00 0.74 H new ATOM 33 N PRO A 121 11.759 -2.600 1.390 1.00 0.79 N ATOM 34 CA PRO A 121 12.504 -3.489 2.287 1.00 0.87 C ATOM 35 C PRO A 121 12.470 -4.945 1.826 1.00 0.90 C ATOM 36 O PRO A 121 13.139 -5.804 2.398 1.00 1.00 O ATOM 37 CB PRO A 121 11.792 -3.335 3.629 1.00 0.96 C ATOM 38 CG PRO A 121 10.418 -2.876 3.291 1.00 1.00 C ATOM 39 CD PRO A 121 10.537 -2.078 2.021 1.00 0.82 C ATOM 0 HA PRO A 121 13.562 -3.228 2.324 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.769 -4.279 4.173 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.303 -2.613 4.265 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.748 -3.725 3.155 1.00 1.00 H new ATOM 0 HG3 PRO A 121 10.003 -2.268 4.095 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.666 -2.215 1.380 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.617 -1.010 2.226 1.00 0.82 H new ATOM 47 N ARG A 122 11.696 -5.214 0.783 1.00 0.86 N ATOM 48 CA ARG A 122 11.641 -6.547 0.205 1.00 0.94 C ATOM 49 C ARG A 122 12.902 -6.795 -0.603 1.00 0.90 C ATOM 50 O ARG A 122 13.378 -7.925 -0.720 1.00 1.05 O ATOM 51 CB ARG A 122 10.407 -6.722 -0.684 1.00 0.98 C ATOM 52 CG ARG A 122 9.095 -6.808 0.080 1.00 0.97 C ATOM 53 CD ARG A 122 9.133 -7.932 1.098 1.00 1.11 C ATOM 54 NE ARG A 122 7.805 -8.278 1.597 1.00 1.54 N ATOM 55 CZ ARG A 122 7.589 -9.116 2.611 1.00 1.95 C ATOM 56 NH1 ARG A 122 8.609 -9.615 3.302 1.00 2.03 N ATOM 57 NH2 ARG A 122 6.350 -9.450 2.947 1.00 2.82 N ATOM 0 H ARG A 122 11.099 -4.527 0.322 1.00 0.86 H new ATOM 0 HA ARG A 122 11.570 -7.272 1.016 1.00 0.94 H new ATOM 0 HB2 ARG A 122 10.354 -5.886 -1.381 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.528 -7.627 -1.280 1.00 0.98 H new ATOM 0 HG2 ARG A 122 8.901 -5.862 0.585 1.00 0.97 H new ATOM 0 HG3 ARG A 122 8.274 -6.972 -0.618 1.00 0.97 H new ATOM 0 HD2 ARG A 122 9.589 -8.813 0.645 1.00 1.11 H new ATOM 0 HD3 ARG A 122 9.767 -7.639 1.935 1.00 1.11 H new ATOM 0 HE ARG A 122 6.996 -7.854 1.143 1.00 1.54 H new ATOM 0 HH11 ARG A 122 9.565 -9.357 3.058 1.00 2.03 H new ATOM 0 HH12 ARG A 122 8.435 -10.256 4.077 1.00 2.03 H new ATOM 0 HH21 ARG A 122 5.560 -9.065 2.429 1.00 2.82 H new ATOM 0 HH22 ARG A 122 6.187 -10.091 3.723 1.00 2.82 H new ATOM 71 N CYS A 123 13.433 -5.717 -1.158 1.00 0.76 N ATOM 72 CA CYS A 123 14.669 -5.771 -1.915 1.00 0.78 C ATOM 73 C CYS A 123 15.794 -5.061 -1.171 1.00 0.76 C ATOM 74 O CYS A 123 16.969 -5.375 -1.344 1.00 0.86 O ATOM 75 CB CYS A 123 14.465 -5.114 -3.281 1.00 0.77 C ATOM 76 SG CYS A 123 13.098 -5.825 -4.245 1.00 0.88 S ATOM 0 H CYS A 123 13.021 -4.786 -1.096 1.00 0.76 H new ATOM 0 HA CYS A 123 14.947 -6.817 -2.046 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.280 -4.050 -3.137 1.00 0.77 H new ATOM 0 HB3 CYS A 123 15.386 -5.202 -3.857 1.00 0.77 H new ATOM 0 HG CYS A 123 13.001 -5.204 -5.383 1.00 0.88 H new ATOM 81 N GLY A 124 15.414 -4.109 -0.334 1.00 0.70 N ATOM 82 CA GLY A 124 16.379 -3.243 0.308 1.00 0.73 C ATOM 83 C GLY A 124 16.830 -2.160 -0.650 1.00 0.71 C ATOM 84 O GLY A 124 17.865 -1.524 -0.461 1.00 0.85 O ATOM 0 H GLY A 124 14.443 -3.919 -0.086 1.00 0.70 H new ATOM 0 HA2 GLY A 124 15.938 -2.792 1.197 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.238 -3.826 0.639 1.00 0.73 H new ATOM 88 N LYS A 125 16.008 -1.942 -1.667 1.00 0.61 N ATOM 89 CA LYS A 125 16.345 -1.056 -2.768 1.00 0.61 C ATOM 90 C LYS A 125 15.419 0.155 -2.767 1.00 0.57 C ATOM 91 O LYS A 125 14.206 0.023 -2.587 1.00 0.60 O ATOM 92 CB LYS A 125 16.235 -1.837 -4.085 1.00 0.63 C ATOM 93 CG LYS A 125 16.637 -1.062 -5.331 1.00 1.30 C ATOM 94 CD LYS A 125 16.523 -1.937 -6.570 1.00 1.71 C ATOM 95 CE LYS A 125 16.862 -1.174 -7.840 1.00 2.44 C ATOM 96 NZ LYS A 125 16.684 -2.015 -9.054 1.00 2.99 N ATOM 0 H LYS A 125 15.089 -2.376 -1.750 1.00 0.61 H new ATOM 0 HA LYS A 125 17.367 -0.692 -2.656 1.00 0.61 H new ATOM 0 HB2 LYS A 125 16.858 -2.728 -4.014 1.00 0.63 H new ATOM 0 HB3 LYS A 125 15.206 -2.176 -4.203 1.00 0.63 H new ATOM 0 HG2 LYS A 125 16.000 -0.184 -5.440 1.00 1.30 H new ATOM 0 HG3 LYS A 125 17.661 -0.702 -5.227 1.00 1.30 H new ATOM 0 HD2 LYS A 125 17.191 -2.793 -6.472 1.00 1.71 H new ATOM 0 HD3 LYS A 125 15.509 -2.331 -6.644 1.00 1.71 H new ATOM 0 HE2 LYS A 125 16.228 -0.291 -7.914 1.00 2.44 H new ATOM 0 HE3 LYS A 125 17.893 -0.823 -7.789 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 16.925 -1.459 -9.900 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 17.308 -2.845 -8.996 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 15.695 -2.329 -9.117 1.00 2.99 H new ATOM 110 N SER A 126 16.000 1.330 -2.959 1.00 0.66 N ATOM 111 CA SER A 126 15.261 2.580 -2.864 1.00 0.68 C ATOM 112 C SER A 126 14.458 2.847 -4.133 1.00 0.57 C ATOM 113 O SER A 126 14.920 2.589 -5.244 1.00 0.66 O ATOM 114 CB SER A 126 16.229 3.734 -2.595 1.00 0.89 C ATOM 115 OG SER A 126 16.999 3.492 -1.423 1.00 1.37 O ATOM 0 H SER A 126 16.989 1.444 -3.183 1.00 0.66 H new ATOM 0 HA SER A 126 14.556 2.499 -2.036 1.00 0.68 H new ATOM 0 HB2 SER A 126 16.893 3.863 -3.450 1.00 0.89 H new ATOM 0 HB3 SER A 126 15.670 4.663 -2.482 1.00 0.89 H new ATOM 0 HG SER A 126 17.611 4.242 -1.273 1.00 1.37 H new ATOM 121 N VAL A 127 13.246 3.353 -3.950 1.00 0.52 N ATOM 122 CA VAL A 127 12.370 3.693 -5.061 1.00 0.45 C ATOM 123 C VAL A 127 11.952 5.151 -4.943 1.00 0.58 C ATOM 124 O VAL A 127 11.880 5.690 -3.840 1.00 0.80 O ATOM 125 CB VAL A 127 11.099 2.811 -5.087 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.335 2.989 -6.391 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.442 1.348 -4.861 1.00 0.71 C ATOM 0 H VAL A 127 12.844 3.538 -3.031 1.00 0.52 H new ATOM 0 HA VAL A 127 12.923 3.520 -5.984 1.00 0.45 H new ATOM 0 HB VAL A 127 10.455 3.137 -4.270 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.447 2.357 -6.381 1.00 0.63 H new ATOM 0 HG12 VAL A 127 10.037 4.032 -6.499 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.973 2.705 -7.228 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.529 0.752 -4.885 1.00 0.71 H new ATOM 0 HG22 VAL A 127 12.118 1.007 -5.645 1.00 0.71 H new ATOM 0 HG23 VAL A 127 11.925 1.233 -3.891 1.00 0.71 H new ATOM 137 N TYR A 128 11.695 5.797 -6.070 1.00 0.60 N ATOM 138 CA TYR A 128 11.231 7.174 -6.052 1.00 0.78 C ATOM 139 C TYR A 128 10.025 7.342 -6.977 1.00 0.58 C ATOM 140 O TYR A 128 9.418 6.348 -7.381 1.00 0.48 O ATOM 141 CB TYR A 128 12.367 8.138 -6.423 1.00 1.14 C ATOM 142 CG TYR A 128 12.130 9.554 -5.942 1.00 2.06 C ATOM 143 CD1 TYR A 128 11.920 9.816 -4.593 1.00 2.80 C ATOM 144 CD2 TYR A 128 12.103 10.620 -6.829 1.00 2.76 C ATOM 145 CE1 TYR A 128 11.689 11.103 -4.145 1.00 3.75 C ATOM 146 CE2 TYR A 128 11.876 11.907 -6.390 1.00 3.69 C ATOM 147 CZ TYR A 128 11.668 12.144 -5.047 1.00 4.06 C ATOM 148 OH TYR A 128 11.437 13.428 -4.607 1.00 5.08 O ATOM 0 H TYR A 128 11.799 5.393 -7.001 1.00 0.60 H new ATOM 0 HA TYR A 128 10.912 7.421 -5.039 1.00 0.78 H new ATOM 0 HB2 TYR A 128 13.301 7.769 -5.999 1.00 1.14 H new ATOM 0 HB3 TYR A 128 12.489 8.145 -7.506 1.00 1.14 H new ATOM 0 HD1 TYR A 128 11.938 9.001 -3.884 1.00 2.80 H new ATOM 0 HD2 TYR A 128 12.263 10.439 -7.882 1.00 2.76 H new ATOM 0 HE1 TYR A 128 11.526 11.291 -3.094 1.00 3.75 H new ATOM 0 HE2 TYR A 128 11.861 12.726 -7.094 1.00 3.69 H new ATOM 0 HH TYR A 128 11.456 14.043 -5.369 1.00 5.08 H new ATOM 158 N ALA A 129 9.694 8.586 -7.323 1.00 0.69 N ATOM 159 CA ALA A 129 8.451 8.921 -8.026 1.00 0.74 C ATOM 160 C ALA A 129 8.196 8.063 -9.271 1.00 0.75 C ATOM 161 O ALA A 129 7.045 7.757 -9.589 1.00 0.87 O ATOM 162 CB ALA A 129 8.445 10.396 -8.399 1.00 0.95 C ATOM 0 H ALA A 129 10.282 9.395 -7.123 1.00 0.69 H new ATOM 0 HA ALA A 129 7.639 8.703 -7.333 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.518 10.636 -8.921 1.00 0.95 H new ATOM 0 HB2 ALA A 129 8.519 11.000 -7.495 1.00 0.95 H new ATOM 0 HB3 ALA A 129 9.293 10.610 -9.049 1.00 0.95 H new ATOM 168 N ALA A 130 9.259 7.663 -9.956 1.00 0.80 N ATOM 169 CA ALA A 130 9.138 6.890 -11.191 1.00 1.00 C ATOM 170 C ALA A 130 8.315 5.616 -11.005 1.00 0.91 C ATOM 171 O ALA A 130 7.650 5.163 -11.936 1.00 1.16 O ATOM 172 CB ALA A 130 10.510 6.545 -11.737 1.00 1.21 C ATOM 0 H ALA A 130 10.220 7.861 -9.678 1.00 0.80 H new ATOM 0 HA ALA A 130 8.608 7.519 -11.907 1.00 1.00 H new ATOM 0 HB1 ALA A 130 10.402 5.970 -12.656 1.00 1.21 H new ATOM 0 HB2 ALA A 130 11.060 7.463 -11.946 1.00 1.21 H new ATOM 0 HB3 ALA A 130 11.056 5.954 -11.002 1.00 1.21 H new ATOM 178 N GLU A 131 8.350 5.040 -9.808 1.00 0.68 N ATOM 179 CA GLU A 131 7.613 3.810 -9.541 1.00 0.65 C ATOM 180 C GLU A 131 7.038 3.828 -8.123 1.00 0.46 C ATOM 181 O GLU A 131 6.704 2.789 -7.560 1.00 0.50 O ATOM 182 CB GLU A 131 8.534 2.594 -9.738 1.00 0.87 C ATOM 183 CG GLU A 131 7.788 1.283 -9.916 1.00 1.41 C ATOM 184 CD GLU A 131 8.701 0.132 -10.277 1.00 1.70 C ATOM 185 OE1 GLU A 131 9.331 -0.442 -9.366 1.00 1.99 O ATOM 186 OE2 GLU A 131 8.790 -0.207 -11.476 1.00 2.44 O ATOM 0 H GLU A 131 8.877 5.402 -9.013 1.00 0.68 H new ATOM 0 HA GLU A 131 6.782 3.736 -10.243 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.164 2.764 -10.611 1.00 0.87 H new ATOM 0 HB3 GLU A 131 9.198 2.510 -8.878 1.00 0.87 H new ATOM 0 HG2 GLU A 131 7.257 1.044 -8.994 1.00 1.41 H new ATOM 0 HG3 GLU A 131 7.035 1.402 -10.695 1.00 1.41 H new ATOM 193 N LYS A 132 6.905 5.024 -7.568 1.00 0.44 N ATOM 194 CA LYS A 132 6.469 5.195 -6.185 1.00 0.42 C ATOM 195 C LYS A 132 5.039 4.702 -5.956 1.00 0.44 C ATOM 196 O LYS A 132 4.072 5.260 -6.485 1.00 0.58 O ATOM 197 CB LYS A 132 6.598 6.670 -5.774 1.00 0.55 C ATOM 198 CG LYS A 132 6.011 6.997 -4.410 1.00 0.65 C ATOM 199 CD LYS A 132 6.356 8.416 -3.977 1.00 1.05 C ATOM 200 CE LYS A 132 5.763 9.456 -4.919 1.00 1.58 C ATOM 201 NZ LYS A 132 4.278 9.519 -4.836 1.00 2.18 N ATOM 0 H LYS A 132 7.094 5.899 -8.057 1.00 0.44 H new ATOM 0 HA LYS A 132 7.119 4.582 -5.561 1.00 0.42 H new ATOM 0 HB2 LYS A 132 7.653 6.944 -5.777 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.106 7.288 -6.525 1.00 0.55 H new ATOM 0 HG2 LYS A 132 4.928 6.879 -4.441 1.00 0.65 H new ATOM 0 HG3 LYS A 132 6.388 6.289 -3.672 1.00 0.65 H new ATOM 0 HD2 LYS A 132 5.985 8.588 -2.967 1.00 1.05 H new ATOM 0 HD3 LYS A 132 7.439 8.532 -3.943 1.00 1.05 H new ATOM 0 HE2 LYS A 132 6.179 10.435 -4.682 1.00 1.58 H new ATOM 0 HE3 LYS A 132 6.057 9.224 -5.943 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 3.871 9.367 -5.781 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 3.935 8.781 -4.189 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 3.989 10.453 -4.481 1.00 2.18 H new ATOM 215 N VAL A 133 4.934 3.624 -5.196 1.00 0.39 N ATOM 216 CA VAL A 133 3.667 3.158 -4.647 1.00 0.44 C ATOM 217 C VAL A 133 3.772 3.145 -3.128 1.00 0.44 C ATOM 218 O VAL A 133 4.651 2.496 -2.563 1.00 0.50 O ATOM 219 CB VAL A 133 3.282 1.760 -5.176 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.659 1.866 -6.560 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.496 0.845 -5.220 1.00 0.88 C ATOM 0 H VAL A 133 5.731 3.042 -4.940 1.00 0.39 H new ATOM 0 HA VAL A 133 2.878 3.839 -4.966 1.00 0.44 H new ATOM 0 HB VAL A 133 2.550 1.331 -4.492 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.394 0.871 -6.917 1.00 1.02 H new ATOM 0 HG12 VAL A 133 1.763 2.484 -6.509 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.374 2.319 -7.247 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.200 -0.134 -5.596 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.251 1.274 -5.879 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.908 0.739 -4.217 1.00 0.88 H new ATOM 231 N MET A 134 2.893 3.894 -2.478 1.00 0.54 N ATOM 232 CA MET A 134 3.026 4.169 -1.050 1.00 0.60 C ATOM 233 C MET A 134 2.636 2.986 -0.167 1.00 0.57 C ATOM 234 O MET A 134 1.479 2.852 0.228 1.00 0.75 O ATOM 235 CB MET A 134 2.177 5.383 -0.665 1.00 0.83 C ATOM 236 CG MET A 134 2.754 6.716 -1.116 1.00 1.14 C ATOM 237 SD MET A 134 4.335 7.092 -0.328 1.00 1.65 S ATOM 238 CE MET A 134 4.587 8.786 -0.863 1.00 1.78 C ATOM 0 H MET A 134 2.078 4.324 -2.915 1.00 0.54 H new ATOM 0 HA MET A 134 4.083 4.368 -0.876 1.00 0.60 H new ATOM 0 HB2 MET A 134 1.182 5.267 -1.094 1.00 0.83 H new ATOM 0 HB3 MET A 134 2.057 5.400 0.418 1.00 0.83 H new ATOM 0 HG2 MET A 134 2.886 6.703 -2.198 1.00 1.14 H new ATOM 0 HG3 MET A 134 2.042 7.510 -0.891 1.00 1.14 H new ATOM 0 HE1 MET A 134 5.654 9.009 -0.874 1.00 1.78 H new ATOM 0 HE2 MET A 134 4.179 8.915 -1.865 1.00 1.78 H new ATOM 0 HE3 MET A 134 4.081 9.464 -0.175 1.00 1.78 H new ATOM 248 N GLY A 135 3.602 2.131 0.145 1.00 0.50 N ATOM 249 CA GLY A 135 3.403 1.151 1.187 1.00 0.61 C ATOM 250 C GLY A 135 3.613 1.768 2.554 1.00 0.70 C ATOM 251 O GLY A 135 4.751 1.891 3.020 1.00 0.77 O ATOM 0 H GLY A 135 4.517 2.101 -0.306 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.395 0.741 1.119 1.00 0.61 H new ATOM 0 HA3 GLY A 135 4.095 0.320 1.048 1.00 0.61 H new ATOM 255 N GLY A 136 2.523 2.203 3.177 1.00 0.85 N ATOM 256 CA GLY A 136 2.603 2.849 4.474 1.00 1.03 C ATOM 257 C GLY A 136 3.083 4.281 4.363 1.00 1.08 C ATOM 258 O GLY A 136 2.298 5.225 4.497 1.00 1.72 O ATOM 0 H GLY A 136 1.578 2.119 2.803 1.00 0.85 H new ATOM 0 HA2 GLY A 136 1.622 2.831 4.950 1.00 1.03 H new ATOM 0 HA3 GLY A 136 3.280 2.288 5.118 1.00 1.03 H new ATOM 262 N GLY A 137 4.373 4.435 4.115 1.00 0.94 N ATOM 263 CA GLY A 137 4.959 5.743 3.917 1.00 0.98 C ATOM 264 C GLY A 137 6.209 5.655 3.068 1.00 0.87 C ATOM 265 O GLY A 137 7.081 6.520 3.126 1.00 1.04 O ATOM 0 H GLY A 137 5.035 3.662 4.046 1.00 0.94 H new ATOM 0 HA2 GLY A 137 4.235 6.401 3.437 1.00 0.98 H new ATOM 0 HA3 GLY A 137 5.202 6.187 4.883 1.00 0.98 H new ATOM 269 N LYS A 138 6.291 4.594 2.281 1.00 0.71 N ATOM 270 CA LYS A 138 7.459 4.336 1.453 1.00 0.71 C ATOM 271 C LYS A 138 7.066 4.139 -0.004 1.00 0.53 C ATOM 272 O LYS A 138 6.100 3.442 -0.295 1.00 0.52 O ATOM 273 CB LYS A 138 8.173 3.067 1.934 1.00 0.92 C ATOM 274 CG LYS A 138 8.892 3.202 3.265 1.00 1.15 C ATOM 275 CD LYS A 138 9.374 1.846 3.757 1.00 1.46 C ATOM 276 CE LYS A 138 10.415 1.972 4.857 1.00 2.11 C ATOM 277 NZ LYS A 138 9.974 2.858 5.965 1.00 2.69 N ATOM 0 H LYS A 138 5.556 3.892 2.198 1.00 0.71 H new ATOM 0 HA LYS A 138 8.119 5.200 1.536 1.00 0.71 H new ATOM 0 HB2 LYS A 138 7.441 2.264 2.013 1.00 0.92 H new ATOM 0 HB3 LYS A 138 8.896 2.765 1.176 1.00 0.92 H new ATOM 0 HG2 LYS A 138 9.740 3.878 3.159 1.00 1.15 H new ATOM 0 HG3 LYS A 138 8.222 3.645 4.002 1.00 1.15 H new ATOM 0 HD2 LYS A 138 8.524 1.273 4.127 1.00 1.46 H new ATOM 0 HD3 LYS A 138 9.796 1.287 2.922 1.00 1.46 H new ATOM 0 HE2 LYS A 138 10.638 0.982 5.256 1.00 2.11 H new ATOM 0 HE3 LYS A 138 11.341 2.361 4.433 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 10.658 2.803 6.747 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 9.917 3.839 5.624 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 9.038 2.554 6.301 1.00 2.69 H new ATOM 291 N PRO A 139 7.768 4.803 -0.934 1.00 0.51 N ATOM 292 CA PRO A 139 7.768 4.407 -2.339 1.00 0.46 C ATOM 293 C PRO A 139 8.328 2.998 -2.520 1.00 0.39 C ATOM 294 O PRO A 139 9.541 2.791 -2.499 1.00 0.51 O ATOM 295 CB PRO A 139 8.696 5.432 -3.011 1.00 0.60 C ATOM 296 CG PRO A 139 9.456 6.061 -1.895 1.00 0.72 C ATOM 297 CD PRO A 139 8.536 6.033 -0.714 1.00 0.63 C ATOM 0 HA PRO A 139 6.763 4.391 -2.760 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.367 4.949 -3.722 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.125 6.176 -3.567 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.375 5.512 -1.689 1.00 0.72 H new ATOM 0 HG3 PRO A 139 9.743 7.083 -2.144 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.085 6.005 0.227 1.00 0.63 H new ATOM 0 HD3 PRO A 139 7.892 6.912 -0.681 1.00 0.63 H new ATOM 305 N TRP A 140 7.439 2.034 -2.661 1.00 0.34 N ATOM 306 CA TRP A 140 7.837 0.655 -2.898 1.00 0.33 C ATOM 307 C TRP A 140 7.989 0.402 -4.394 1.00 0.31 C ATOM 308 O TRP A 140 7.636 1.253 -5.209 1.00 0.38 O ATOM 309 CB TRP A 140 6.785 -0.300 -2.326 1.00 0.40 C ATOM 310 CG TRP A 140 6.779 -0.386 -0.829 1.00 0.44 C ATOM 311 CD1 TRP A 140 6.515 0.613 0.056 1.00 0.54 C ATOM 312 CD2 TRP A 140 7.026 -1.553 -0.048 1.00 0.51 C ATOM 313 NE1 TRP A 140 6.597 0.142 1.344 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.909 -1.189 1.306 1.00 0.58 C ATOM 315 CE3 TRP A 140 7.340 -2.865 -0.368 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.098 -2.102 2.337 1.00 0.69 C ATOM 317 CZ3 TRP A 140 7.526 -3.774 0.651 1.00 0.76 C ATOM 318 CH2 TRP A 140 7.406 -3.390 1.993 1.00 0.78 C ATOM 0 H TRP A 140 6.430 2.179 -2.616 1.00 0.34 H new ATOM 0 HA TRP A 140 8.793 0.479 -2.404 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.799 0.019 -2.664 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.955 -1.296 -2.735 1.00 0.40 H new ATOM 0 HD1 TRP A 140 6.275 1.631 -0.215 1.00 0.54 H new ATOM 0 HE1 TRP A 140 6.450 0.694 2.189 1.00 0.61 H new ATOM 0 HE3 TRP A 140 7.437 -3.170 -1.400 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 7.005 -1.806 3.371 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 7.768 -4.799 0.411 1.00 0.76 H new ATOM 0 HH2 TRP A 140 7.559 -4.124 2.770 1.00 0.78 H new ATOM 329 N HIS A 141 8.522 -0.763 -4.749 1.00 0.34 N ATOM 330 CA HIS A 141 8.562 -1.181 -6.146 1.00 0.34 C ATOM 331 C HIS A 141 7.172 -1.611 -6.576 1.00 0.40 C ATOM 332 O HIS A 141 6.457 -2.259 -5.819 1.00 0.51 O ATOM 333 CB HIS A 141 9.511 -2.365 -6.357 1.00 0.42 C ATOM 334 CG HIS A 141 10.966 -2.036 -6.298 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.710 -1.220 -7.084 1.00 0.68 N flip ATOM 336 CD2 HIS A 141 11.789 -2.629 -5.389 1.00 0.70 C flip ATOM 337 CE1 HIS A 141 13.014 -1.330 -6.646 1.00 0.71 C flip ATOM 338 NE2 HIS A 141 13.007 -2.198 -5.613 1.00 0.72 N flip ATOM 0 H HIS A 141 8.930 -1.430 -4.094 1.00 0.34 H new ATOM 0 HA HIS A 141 8.918 -0.336 -6.735 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.296 -3.121 -5.602 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.296 -2.813 -7.327 1.00 0.42 H new ATOM 0 HD1 HIS A 141 11.372 -0.638 -7.850 1.00 0.68 H new ATOM 0 HD2 HIS A 141 11.492 -3.328 -4.622 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.875 -0.819 -7.052 1.00 0.71 H new ATOM 346 N LYS A 142 6.809 -1.264 -7.798 1.00 0.49 N ATOM 347 CA LYS A 142 5.516 -1.644 -8.359 1.00 0.65 C ATOM 348 C LYS A 142 5.362 -3.164 -8.394 1.00 0.71 C ATOM 349 O LYS A 142 4.250 -3.690 -8.361 1.00 0.89 O ATOM 350 CB LYS A 142 5.384 -1.063 -9.769 1.00 0.85 C ATOM 351 CG LYS A 142 4.160 -1.526 -10.536 1.00 1.52 C ATOM 352 CD LYS A 142 4.164 -0.965 -11.944 1.00 1.88 C ATOM 353 CE LYS A 142 3.095 -1.608 -12.807 1.00 2.60 C ATOM 354 NZ LYS A 142 3.141 -1.102 -14.199 1.00 3.19 N ATOM 0 H LYS A 142 7.394 -0.715 -8.428 1.00 0.49 H new ATOM 0 HA LYS A 142 4.725 -1.242 -7.725 1.00 0.65 H new ATOM 0 HB2 LYS A 142 5.361 0.024 -9.698 1.00 0.85 H new ATOM 0 HB3 LYS A 142 6.274 -1.326 -10.340 1.00 0.85 H new ATOM 0 HG2 LYS A 142 4.139 -2.615 -10.574 1.00 1.52 H new ATOM 0 HG3 LYS A 142 3.257 -1.208 -10.015 1.00 1.52 H new ATOM 0 HD2 LYS A 142 4.002 0.112 -11.907 1.00 1.88 H new ATOM 0 HD3 LYS A 142 5.142 -1.125 -12.397 1.00 1.88 H new ATOM 0 HE2 LYS A 142 3.229 -2.690 -12.808 1.00 2.60 H new ATOM 0 HE3 LYS A 142 2.113 -1.409 -12.379 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 2.397 -1.563 -14.761 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 2.988 -0.073 -14.200 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 4.070 -1.314 -14.615 1.00 3.19 H new ATOM 368 N THR A 143 6.490 -3.860 -8.451 1.00 0.69 N ATOM 369 CA THR A 143 6.491 -5.311 -8.485 1.00 0.84 C ATOM 370 C THR A 143 6.226 -5.900 -7.102 1.00 0.84 C ATOM 371 O THR A 143 5.320 -6.715 -6.929 1.00 1.10 O ATOM 372 CB THR A 143 7.834 -5.844 -9.022 1.00 0.95 C ATOM 373 OG1 THR A 143 8.928 -5.156 -8.391 1.00 1.38 O ATOM 374 CG2 THR A 143 7.922 -5.666 -10.531 1.00 1.47 C ATOM 0 H THR A 143 7.418 -3.438 -8.475 1.00 0.69 H new ATOM 0 HA THR A 143 5.688 -5.620 -9.154 1.00 0.84 H new ATOM 0 HB THR A 143 7.894 -6.908 -8.791 1.00 0.95 H new ATOM 0 HG1 THR A 143 9.150 -5.600 -7.546 1.00 1.38 H new ATOM 0 HG21 THR A 143 8.878 -6.049 -10.887 1.00 1.47 H new ATOM 0 HG22 THR A 143 7.110 -6.214 -11.010 1.00 1.47 H new ATOM 0 HG23 THR A 143 7.841 -4.607 -10.778 1.00 1.47 H new ATOM 382 N CYS A 144 7.004 -5.455 -6.120 1.00 0.68 N ATOM 383 CA CYS A 144 6.971 -6.031 -4.781 1.00 0.76 C ATOM 384 C CYS A 144 5.937 -5.358 -3.894 1.00 0.81 C ATOM 385 O CYS A 144 5.765 -5.736 -2.734 1.00 0.96 O ATOM 386 CB CYS A 144 8.340 -5.893 -4.167 1.00 0.73 C ATOM 387 SG CYS A 144 9.584 -5.452 -5.403 1.00 1.14 S ATOM 0 H CYS A 144 7.670 -4.690 -6.229 1.00 0.68 H new ATOM 0 HA CYS A 144 6.688 -7.080 -4.863 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.315 -5.131 -3.388 1.00 0.73 H new ATOM 0 HB3 CYS A 144 8.620 -6.831 -3.687 1.00 0.73 H new ATOM 0 HG CYS A 144 10.772 -5.615 -4.900 1.00 1.14 H new ATOM 392 N PHE A 145 5.274 -4.350 -4.430 1.00 0.80 N ATOM 393 CA PHE A 145 4.103 -3.789 -3.783 1.00 0.86 C ATOM 394 C PHE A 145 2.974 -4.788 -3.951 1.00 0.79 C ATOM 395 O PHE A 145 1.986 -4.532 -4.632 1.00 0.81 O ATOM 396 CB PHE A 145 3.741 -2.446 -4.411 1.00 0.94 C ATOM 397 CG PHE A 145 2.798 -1.616 -3.590 1.00 0.97 C ATOM 398 CD1 PHE A 145 3.160 -1.188 -2.327 1.00 1.03 C ATOM 399 CD2 PHE A 145 1.559 -1.249 -4.091 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.305 -0.412 -1.575 1.00 1.10 C ATOM 401 CE2 PHE A 145 0.700 -0.469 -3.342 1.00 1.13 C ATOM 402 CZ PHE A 145 1.075 -0.050 -2.082 1.00 1.13 C ATOM 0 H PHE A 145 5.526 -3.903 -5.312 1.00 0.80 H new ATOM 0 HA PHE A 145 4.293 -3.608 -2.725 1.00 0.86 H new ATOM 0 HB2 PHE A 145 4.656 -1.878 -4.578 1.00 0.94 H new ATOM 0 HB3 PHE A 145 3.293 -2.624 -5.389 1.00 0.94 H new ATOM 0 HD1 PHE A 145 4.123 -1.465 -1.925 1.00 1.03 H new ATOM 0 HD2 PHE A 145 1.262 -1.576 -5.077 1.00 1.05 H new ATOM 0 HE1 PHE A 145 2.599 -0.087 -0.588 1.00 1.10 H new ATOM 0 HE2 PHE A 145 -0.263 -0.188 -3.742 1.00 1.13 H new ATOM 0 HZ PHE A 145 0.406 0.561 -1.494 1.00 1.13 H new ATOM 412 N ARG A 146 3.163 -5.943 -3.346 1.00 0.76 N ATOM 413 CA ARG A 146 2.343 -7.104 -3.599 1.00 0.69 C ATOM 414 C ARG A 146 2.184 -7.912 -2.330 1.00 0.66 C ATOM 415 O ARG A 146 2.941 -7.737 -1.369 1.00 0.95 O ATOM 416 CB ARG A 146 3.015 -7.974 -4.667 1.00 0.77 C ATOM 417 CG ARG A 146 4.392 -8.475 -4.260 1.00 1.08 C ATOM 418 CD ARG A 146 5.010 -9.356 -5.333 1.00 1.13 C ATOM 419 NE ARG A 146 6.383 -9.728 -5.003 1.00 1.61 N ATOM 420 CZ ARG A 146 7.090 -10.642 -5.667 1.00 1.86 C ATOM 421 NH1 ARG A 146 6.565 -11.266 -6.715 1.00 1.73 N ATOM 422 NH2 ARG A 146 8.331 -10.919 -5.285 1.00 2.78 N ATOM 0 H ARG A 146 3.899 -6.101 -2.658 1.00 0.76 H new ATOM 0 HA ARG A 146 1.361 -6.780 -3.945 1.00 0.69 H new ATOM 0 HB2 ARG A 146 2.375 -8.829 -4.884 1.00 0.77 H new ATOM 0 HB3 ARG A 146 3.103 -7.400 -5.589 1.00 0.77 H new ATOM 0 HG2 ARG A 146 5.046 -7.625 -4.066 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.314 -9.036 -3.329 1.00 1.08 H new ATOM 0 HD2 ARG A 146 4.408 -10.257 -5.455 1.00 1.13 H new ATOM 0 HD3 ARG A 146 4.995 -8.831 -6.288 1.00 1.13 H new ATOM 0 HE ARG A 146 6.829 -9.259 -4.215 1.00 1.61 H new ATOM 0 HH11 ARG A 146 5.615 -11.047 -7.016 1.00 1.73 H new ATOM 0 HH12 ARG A 146 7.111 -11.965 -7.219 1.00 1.73 H new ATOM 0 HH21 ARG A 146 8.739 -10.433 -4.487 1.00 2.78 H new ATOM 0 HH22 ARG A 146 8.876 -11.618 -5.790 1.00 2.78 H new ATOM 436 N CYS A 147 1.215 -8.802 -2.328 1.00 0.42 N ATOM 437 CA CYS A 147 1.055 -9.718 -1.230 1.00 0.43 C ATOM 438 C CYS A 147 1.577 -11.085 -1.642 1.00 0.52 C ATOM 439 O CYS A 147 1.488 -11.476 -2.820 1.00 0.53 O ATOM 440 CB CYS A 147 -0.401 -9.834 -0.822 1.00 0.43 C ATOM 441 SG CYS A 147 -1.225 -11.270 -1.546 1.00 0.68 S ATOM 0 H CYS A 147 0.529 -8.907 -3.076 1.00 0.42 H new ATOM 0 HA CYS A 147 1.619 -9.340 -0.377 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.464 -9.895 0.264 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -0.930 -8.929 -1.122 1.00 0.43 H new ATOM 0 HG CYS A 147 -2.446 -11.338 -1.105 1.00 0.68 H new ATOM 446 N ALA A 148 2.137 -11.787 -0.670 1.00 0.67 N ATOM 447 CA ALA A 148 2.658 -13.131 -0.882 1.00 0.82 C ATOM 448 C ALA A 148 1.538 -14.169 -0.950 1.00 0.84 C ATOM 449 O ALA A 148 1.793 -15.339 -1.243 1.00 0.98 O ATOM 450 CB ALA A 148 3.645 -13.493 0.217 1.00 1.02 C ATOM 0 H ALA A 148 2.244 -11.445 0.285 1.00 0.67 H new ATOM 0 HA ALA A 148 3.173 -13.137 -1.843 1.00 0.82 H new ATOM 0 HB1 ALA A 148 4.026 -14.500 0.046 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.474 -12.785 0.210 1.00 1.02 H new ATOM 0 HB3 ALA A 148 3.143 -13.454 1.184 1.00 1.02 H new ATOM 456 N ILE A 149 0.306 -13.745 -0.678 1.00 0.76 N ATOM 457 CA ILE A 149 -0.819 -14.673 -0.615 1.00 0.84 C ATOM 458 C ILE A 149 -1.369 -14.950 -2.008 1.00 0.85 C ATOM 459 O ILE A 149 -1.488 -16.106 -2.415 1.00 1.00 O ATOM 460 CB ILE A 149 -1.957 -14.148 0.291 1.00 0.82 C ATOM 461 CG1 ILE A 149 -1.458 -13.988 1.730 1.00 0.86 C ATOM 462 CG2 ILE A 149 -3.166 -15.082 0.236 1.00 0.97 C ATOM 463 CD1 ILE A 149 -2.527 -13.521 2.696 1.00 1.02 C ATOM 0 H ILE A 149 0.063 -12.771 -0.499 1.00 0.76 H new ATOM 0 HA ILE A 149 -0.439 -15.598 -0.181 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.270 -13.171 -0.076 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -1.060 -14.942 2.076 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -0.633 -13.275 1.742 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -3.955 -14.694 0.880 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -3.532 -15.143 -0.789 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -2.874 -16.075 0.577 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -2.100 -13.431 3.695 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -2.909 -12.552 2.375 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -3.342 -14.244 2.714 1.00 1.02 H new ATOM 475 N CYS A 150 -1.683 -13.894 -2.749 1.00 0.73 N ATOM 476 CA CYS A 150 -2.208 -14.059 -4.086 1.00 0.79 C ATOM 477 C CYS A 150 -1.048 -14.034 -5.065 1.00 0.75 C ATOM 478 O CYS A 150 -1.184 -14.370 -6.244 1.00 0.87 O ATOM 479 CB CYS A 150 -3.208 -12.942 -4.419 1.00 0.78 C ATOM 480 SG CYS A 150 -4.358 -12.521 -3.061 1.00 0.82 S ATOM 0 H CYS A 150 -1.582 -12.926 -2.445 1.00 0.73 H new ATOM 0 HA CYS A 150 -2.736 -15.010 -4.156 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -2.653 -12.047 -4.698 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -3.790 -13.241 -5.291 1.00 0.78 H new ATOM 0 HG CYS A 150 -4.302 -11.244 -2.825 1.00 0.82 H new ATOM 485 N GLY A 151 0.111 -13.644 -4.532 1.00 0.66 N ATOM 486 CA GLY A 151 1.289 -13.458 -5.345 1.00 0.70 C ATOM 487 C GLY A 151 1.053 -12.373 -6.360 1.00 0.66 C ATOM 488 O GLY A 151 1.463 -12.490 -7.514 1.00 0.76 O ATOM 0 H GLY A 151 0.248 -13.454 -3.539 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.138 -13.197 -4.713 1.00 0.70 H new ATOM 0 HA3 GLY A 151 1.542 -14.390 -5.850 1.00 0.70 H new ATOM 492 N LYS A 152 0.373 -11.318 -5.930 1.00 0.58 N ATOM 493 CA LYS A 152 -0.128 -10.332 -6.861 1.00 0.64 C ATOM 494 C LYS A 152 0.303 -8.920 -6.497 1.00 0.56 C ATOM 495 O LYS A 152 0.215 -8.517 -5.337 1.00 0.50 O ATOM 496 CB LYS A 152 -1.647 -10.404 -6.925 1.00 0.80 C ATOM 497 CG LYS A 152 -2.247 -9.370 -7.852 1.00 0.89 C ATOM 498 CD LYS A 152 -3.752 -9.445 -7.849 1.00 1.39 C ATOM 499 CE LYS A 152 -4.355 -8.345 -8.708 1.00 1.75 C ATOM 500 NZ LYS A 152 -5.813 -8.537 -8.924 1.00 2.37 N ATOM 0 H LYS A 152 0.160 -11.129 -4.950 1.00 0.58 H new ATOM 0 HA LYS A 152 0.299 -10.563 -7.837 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -1.945 -11.399 -7.257 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.055 -10.267 -5.923 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -1.929 -8.374 -7.545 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -1.874 -9.525 -8.864 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -4.072 -10.418 -8.221 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -4.122 -9.357 -6.827 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -4.184 -7.380 -8.232 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -3.847 -8.319 -9.672 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -6.181 -7.764 -9.515 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -5.976 -9.446 -9.402 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -6.303 -8.535 -8.007 1.00 2.37 H new ATOM 514 N SER A 153 0.757 -8.179 -7.507 1.00 0.67 N ATOM 515 CA SER A 153 1.138 -6.789 -7.344 1.00 0.73 C ATOM 516 C SER A 153 -0.109 -5.918 -7.185 1.00 0.76 C ATOM 517 O SER A 153 -1.142 -6.175 -7.808 1.00 0.94 O ATOM 518 CB SER A 153 1.966 -6.336 -8.549 1.00 0.91 C ATOM 519 OG SER A 153 3.100 -7.173 -8.730 1.00 1.46 O ATOM 0 H SER A 153 0.869 -8.531 -8.458 1.00 0.67 H new ATOM 0 HA SER A 153 1.745 -6.684 -6.445 1.00 0.73 H new ATOM 0 HB2 SER A 153 1.348 -6.355 -9.447 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.289 -5.305 -8.406 1.00 0.91 H new ATOM 0 HG SER A 153 3.790 -6.936 -8.075 1.00 1.46 H new ATOM 525 N LEU A 154 -0.009 -4.901 -6.350 1.00 0.71 N ATOM 526 CA LEU A 154 -1.160 -4.099 -5.975 1.00 0.76 C ATOM 527 C LEU A 154 -1.090 -2.699 -6.565 1.00 0.92 C ATOM 528 O LEU A 154 -0.010 -2.139 -6.749 1.00 1.13 O ATOM 529 CB LEU A 154 -1.226 -4.005 -4.453 1.00 0.70 C ATOM 530 CG LEU A 154 -1.234 -5.355 -3.733 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.201 -5.171 -2.227 1.00 0.85 C ATOM 532 CD2 LEU A 154 -2.457 -6.155 -4.140 1.00 0.86 C ATOM 0 H LEU A 154 0.866 -4.608 -5.915 1.00 0.71 H new ATOM 0 HA LEU A 154 -2.054 -4.582 -6.369 1.00 0.76 H new ATOM 0 HB2 LEU A 154 -0.373 -3.425 -4.100 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -2.124 -3.454 -4.174 1.00 0.70 H new ATOM 0 HG LEU A 154 -0.338 -5.903 -4.025 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -1.207 -6.147 -1.741 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.296 -4.632 -1.946 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -2.075 -4.602 -1.911 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -2.453 -7.114 -3.622 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.358 -5.603 -3.874 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -2.439 -6.324 -5.217 1.00 0.86 H new ATOM 544 N GLU A 155 -2.256 -2.143 -6.861 1.00 1.24 N ATOM 545 CA GLU A 155 -2.355 -0.764 -7.296 1.00 1.53 C ATOM 546 C GLU A 155 -2.582 0.129 -6.085 1.00 1.73 C ATOM 547 O GLU A 155 -2.903 -0.358 -4.996 1.00 2.45 O ATOM 548 CB GLU A 155 -3.502 -0.591 -8.294 1.00 1.96 C ATOM 549 CG GLU A 155 -3.340 -1.408 -9.565 1.00 2.39 C ATOM 550 CD GLU A 155 -2.082 -1.059 -10.330 1.00 3.01 C ATOM 551 OE1 GLU A 155 -2.011 0.054 -10.901 1.00 3.46 O ATOM 552 OE2 GLU A 155 -1.165 -1.901 -10.388 1.00 3.54 O ATOM 0 H GLU A 155 -3.149 -2.632 -6.806 1.00 1.24 H new ATOM 0 HA GLU A 155 -1.426 -0.483 -7.792 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -4.437 -0.872 -7.810 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -3.584 0.463 -8.559 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -3.323 -2.468 -9.311 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -4.206 -1.248 -10.207 1.00 2.39 H new ATOM 559 N SER A 156 -2.432 1.434 -6.282 1.00 1.83 N ATOM 560 CA SER A 156 -2.568 2.404 -5.199 1.00 2.22 C ATOM 561 C SER A 156 -4.036 2.589 -4.795 1.00 1.96 C ATOM 562 O SER A 156 -4.594 3.682 -4.907 1.00 2.65 O ATOM 563 CB SER A 156 -1.960 3.746 -5.625 1.00 3.04 C ATOM 564 OG SER A 156 -0.615 3.587 -6.051 1.00 3.58 O ATOM 0 H SER A 156 -2.215 1.848 -7.188 1.00 1.83 H new ATOM 0 HA SER A 156 -2.031 2.023 -4.330 1.00 2.22 H new ATOM 0 HB2 SER A 156 -2.552 4.177 -6.433 1.00 3.04 H new ATOM 0 HB3 SER A 156 -2.000 4.447 -4.792 1.00 3.04 H new ATOM 0 HG SER A 156 -0.252 4.457 -6.319 1.00 3.58 H new ATOM 570 N THR A 157 -4.643 1.506 -4.324 1.00 1.62 N ATOM 571 CA THR A 157 -6.036 1.507 -3.904 1.00 1.69 C ATOM 572 C THR A 157 -6.419 0.150 -3.309 1.00 1.51 C ATOM 573 O THR A 157 -7.444 0.019 -2.640 1.00 2.11 O ATOM 574 CB THR A 157 -6.990 1.836 -5.078 1.00 2.15 C ATOM 575 OG1 THR A 157 -8.354 1.808 -4.633 1.00 2.66 O ATOM 576 CG2 THR A 157 -6.808 0.845 -6.223 1.00 2.67 C ATOM 0 H THR A 157 -4.181 0.602 -4.223 1.00 1.62 H new ATOM 0 HA THR A 157 -6.141 2.284 -3.146 1.00 1.69 H new ATOM 0 HB THR A 157 -6.746 2.836 -5.438 1.00 2.15 H new ATOM 0 HG1 THR A 157 -8.947 2.019 -5.384 1.00 2.66 H new ATOM 0 HG21 THR A 157 -7.490 1.098 -7.035 1.00 2.67 H new ATOM 0 HG22 THR A 157 -5.781 0.891 -6.584 1.00 2.67 H new ATOM 0 HG23 THR A 157 -7.024 -0.163 -5.869 1.00 2.67 H new ATOM 584 N ASN A 158 -5.595 -0.856 -3.564 1.00 1.17 N ATOM 585 CA ASN A 158 -5.866 -2.206 -3.091 1.00 1.14 C ATOM 586 C ASN A 158 -4.669 -2.727 -2.305 1.00 0.94 C ATOM 587 O ASN A 158 -3.948 -3.601 -2.770 1.00 1.16 O ATOM 588 CB ASN A 158 -6.165 -3.125 -4.286 1.00 1.38 C ATOM 589 CG ASN A 158 -6.516 -4.549 -3.886 1.00 1.61 C ATOM 590 OD1 ASN A 158 -7.101 -4.790 -2.832 1.00 2.30 O ATOM 591 ND2 ASN A 158 -6.168 -5.503 -4.739 1.00 2.09 N ATOM 0 H ASN A 158 -4.731 -0.762 -4.097 1.00 1.17 H new ATOM 0 HA ASN A 158 -6.736 -2.192 -2.434 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -6.990 -2.704 -4.860 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -5.297 -3.145 -4.944 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -6.385 -6.478 -4.530 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -5.683 -5.262 -5.604 1.00 2.09 H new ATOM 598 N VAL A 159 -4.451 -2.172 -1.122 1.00 0.79 N ATOM 599 CA VAL A 159 -3.296 -2.547 -0.314 1.00 0.72 C ATOM 600 C VAL A 159 -3.527 -2.257 1.164 1.00 0.69 C ATOM 601 O VAL A 159 -4.119 -1.239 1.526 1.00 0.83 O ATOM 602 CB VAL A 159 -2.013 -1.820 -0.793 1.00 0.94 C ATOM 603 CG1 VAL A 159 -2.211 -0.309 -0.852 1.00 1.27 C ATOM 604 CG2 VAL A 159 -0.821 -2.171 0.088 1.00 1.59 C ATOM 0 H VAL A 159 -5.053 -1.465 -0.701 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.160 -3.621 -0.440 1.00 0.72 H new ATOM 0 HB VAL A 159 -1.805 -2.168 -1.805 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -1.290 0.166 -1.192 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -3.018 -0.075 -1.546 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -2.466 0.063 0.140 1.00 1.27 H new ATOM 0 HG21 VAL A 159 0.064 -1.647 -0.272 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -1.027 -1.872 1.116 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -0.646 -3.246 0.052 1.00 1.59 H new ATOM 614 N THR A 160 -3.095 -3.175 2.009 1.00 0.62 N ATOM 615 CA THR A 160 -3.102 -2.952 3.439 1.00 0.67 C ATOM 616 C THR A 160 -1.810 -3.489 4.058 1.00 0.70 C ATOM 617 O THR A 160 -1.362 -4.584 3.711 1.00 0.81 O ATOM 618 CB THR A 160 -4.329 -3.615 4.104 1.00 0.71 C ATOM 619 OG1 THR A 160 -5.533 -3.151 3.472 1.00 1.16 O ATOM 620 CG2 THR A 160 -4.389 -3.298 5.592 1.00 1.08 C ATOM 0 H THR A 160 -2.734 -4.086 1.726 1.00 0.62 H new ATOM 0 HA THR A 160 -3.165 -1.878 3.615 1.00 0.67 H new ATOM 0 HB THR A 160 -4.235 -4.694 3.984 1.00 0.71 H new ATOM 0 HG1 THR A 160 -6.309 -3.575 3.895 1.00 1.16 H new ATOM 0 HG21 THR A 160 -5.263 -3.779 6.031 1.00 1.08 H new ATOM 0 HG22 THR A 160 -3.487 -3.669 6.080 1.00 1.08 H new ATOM 0 HG23 THR A 160 -4.459 -2.219 5.732 1.00 1.08 H new ATOM 628 N ASP A 161 -1.209 -2.712 4.953 1.00 0.82 N ATOM 629 CA ASP A 161 0.067 -3.082 5.563 1.00 0.93 C ATOM 630 C ASP A 161 -0.147 -3.732 6.925 1.00 0.96 C ATOM 631 O ASP A 161 -0.876 -3.205 7.770 1.00 1.06 O ATOM 632 CB ASP A 161 0.962 -1.846 5.716 1.00 1.18 C ATOM 633 CG ASP A 161 2.222 -2.128 6.516 1.00 1.61 C ATOM 634 OD1 ASP A 161 3.218 -2.583 5.926 1.00 2.27 O ATOM 635 OD2 ASP A 161 2.219 -1.892 7.744 1.00 2.13 O ATOM 0 H ASP A 161 -1.585 -1.820 5.274 1.00 0.82 H new ATOM 0 HA ASP A 161 0.556 -3.802 4.907 1.00 0.93 H new ATOM 0 HB2 ASP A 161 1.239 -1.479 4.728 1.00 1.18 H new ATOM 0 HB3 ASP A 161 0.397 -1.052 6.204 1.00 1.18 H new ATOM 640 N LYS A 162 0.477 -4.879 7.131 1.00 0.98 N ATOM 641 CA LYS A 162 0.421 -5.559 8.413 1.00 1.10 C ATOM 642 C LYS A 162 1.806 -6.052 8.801 1.00 1.22 C ATOM 643 O LYS A 162 2.306 -7.018 8.225 1.00 1.27 O ATOM 644 CB LYS A 162 -0.553 -6.739 8.367 1.00 1.17 C ATOM 645 CG LYS A 162 -0.867 -7.316 9.742 1.00 1.55 C ATOM 646 CD LYS A 162 -1.596 -8.649 9.642 1.00 1.86 C ATOM 647 CE LYS A 162 -0.672 -9.757 9.164 1.00 2.36 C ATOM 648 NZ LYS A 162 0.347 -10.117 10.186 1.00 2.95 N ATOM 0 H LYS A 162 1.031 -5.361 6.423 1.00 0.98 H new ATOM 0 HA LYS A 162 0.066 -4.848 9.159 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -1.481 -6.417 7.895 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -0.132 -7.524 7.739 1.00 1.17 H new ATOM 0 HG2 LYS A 162 0.059 -7.449 10.301 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -1.478 -6.608 10.302 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -2.008 -8.913 10.616 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -2.437 -8.554 8.955 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -1.263 -10.639 8.916 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -0.171 -9.441 8.249 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 0.855 -10.973 9.883 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 1.022 -9.333 10.294 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -0.123 -10.297 11.096 1.00 2.95 H new ATOM 662 N ASP A 163 2.425 -5.361 9.757 1.00 1.37 N ATOM 663 CA ASP A 163 3.730 -5.751 10.301 1.00 1.58 C ATOM 664 C ASP A 163 4.823 -5.645 9.241 1.00 1.48 C ATOM 665 O ASP A 163 5.857 -6.312 9.323 1.00 1.94 O ATOM 666 CB ASP A 163 3.692 -7.181 10.865 1.00 1.83 C ATOM 667 CG ASP A 163 2.536 -7.407 11.818 1.00 2.42 C ATOM 668 OD1 ASP A 163 2.497 -6.763 12.884 1.00 2.80 O ATOM 669 OD2 ASP A 163 1.645 -8.222 11.494 1.00 2.97 O ATOM 0 H ASP A 163 2.039 -4.516 10.177 1.00 1.37 H new ATOM 0 HA ASP A 163 3.960 -5.060 11.112 1.00 1.58 H new ATOM 0 HB2 ASP A 163 3.621 -7.890 10.040 1.00 1.83 H new ATOM 0 HB3 ASP A 163 4.629 -7.387 11.382 1.00 1.83 H new ATOM 674 N GLY A 164 4.590 -4.805 8.241 1.00 1.41 N ATOM 675 CA GLY A 164 5.551 -4.648 7.167 1.00 1.46 C ATOM 676 C GLY A 164 5.218 -5.524 5.977 1.00 1.29 C ATOM 677 O GLY A 164 5.830 -5.404 4.915 1.00 1.45 O ATOM 0 H GLY A 164 3.752 -4.229 8.154 1.00 1.41 H new ATOM 0 HA2 GLY A 164 5.577 -3.604 6.853 1.00 1.46 H new ATOM 0 HA3 GLY A 164 6.547 -4.896 7.533 1.00 1.46 H new ATOM 681 N GLU A 165 4.250 -6.413 6.157 1.00 1.10 N ATOM 682 CA GLU A 165 3.799 -7.277 5.080 1.00 1.01 C ATOM 683 C GLU A 165 2.614 -6.666 4.359 1.00 0.86 C ATOM 684 O GLU A 165 1.676 -6.173 4.985 1.00 0.92 O ATOM 685 CB GLU A 165 3.427 -8.661 5.607 1.00 1.13 C ATOM 686 CG GLU A 165 4.628 -9.532 5.906 1.00 1.48 C ATOM 687 CD GLU A 165 4.236 -10.923 6.349 1.00 1.70 C ATOM 688 OE1 GLU A 165 3.825 -11.736 5.497 1.00 2.21 O ATOM 689 OE2 GLU A 165 4.329 -11.213 7.562 1.00 2.17 O ATOM 0 H GLU A 165 3.762 -6.553 7.042 1.00 1.10 H new ATOM 0 HA GLU A 165 4.624 -7.383 4.375 1.00 1.01 H new ATOM 0 HB2 GLU A 165 2.834 -8.549 6.514 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.796 -9.164 4.874 1.00 1.13 H new ATOM 0 HG2 GLU A 165 5.254 -9.600 5.016 1.00 1.48 H new ATOM 0 HG3 GLU A 165 5.229 -9.062 6.684 1.00 1.48 H new ATOM 696 N LEU A 166 2.661 -6.708 3.042 1.00 0.77 N ATOM 697 CA LEU A 166 1.598 -6.140 2.230 1.00 0.65 C ATOM 698 C LEU A 166 0.613 -7.220 1.846 1.00 0.55 C ATOM 699 O LEU A 166 1.006 -8.341 1.516 1.00 0.63 O ATOM 700 CB LEU A 166 2.148 -5.468 0.963 1.00 0.71 C ATOM 701 CG LEU A 166 3.051 -4.248 1.181 1.00 0.86 C ATOM 702 CD1 LEU A 166 2.393 -3.244 2.116 1.00 1.25 C ATOM 703 CD2 LEU A 166 4.409 -4.672 1.707 1.00 1.21 C ATOM 0 H LEU A 166 3.423 -7.129 2.510 1.00 0.77 H new ATOM 0 HA LEU A 166 1.097 -5.376 2.825 1.00 0.65 H new ATOM 0 HB2 LEU A 166 2.708 -6.212 0.396 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.305 -5.164 0.343 1.00 0.71 H new ATOM 0 HG LEU A 166 3.199 -3.760 0.218 1.00 0.86 H new ATOM 0 HD11 LEU A 166 3.054 -2.388 2.254 1.00 1.25 H new ATOM 0 HD12 LEU A 166 1.450 -2.908 1.684 1.00 1.25 H new ATOM 0 HD13 LEU A 166 2.203 -3.715 3.080 1.00 1.25 H new ATOM 0 HD21 LEU A 166 5.033 -3.791 1.854 1.00 1.21 H new ATOM 0 HD22 LEU A 166 4.285 -5.192 2.657 1.00 1.21 H new ATOM 0 HD23 LEU A 166 4.886 -5.338 0.988 1.00 1.21 H new ATOM 715 N TYR A 167 -0.661 -6.888 1.927 1.00 0.46 N ATOM 716 CA TYR A 167 -1.722 -7.783 1.506 1.00 0.38 C ATOM 717 C TYR A 167 -2.753 -6.992 0.723 1.00 0.33 C ATOM 718 O TYR A 167 -2.932 -5.792 0.965 1.00 0.45 O ATOM 719 CB TYR A 167 -2.392 -8.438 2.718 1.00 0.46 C ATOM 720 CG TYR A 167 -1.451 -9.233 3.595 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.911 -10.436 3.161 1.00 0.74 C ATOM 722 CD2 TYR A 167 -1.110 -8.782 4.864 1.00 0.79 C ATOM 723 CE1 TYR A 167 -0.059 -11.169 3.964 1.00 0.94 C ATOM 724 CE2 TYR A 167 -0.256 -9.508 5.673 1.00 0.97 C ATOM 725 CZ TYR A 167 0.267 -10.701 5.219 1.00 1.03 C ATOM 726 OH TYR A 167 1.109 -11.431 6.031 1.00 1.23 O ATOM 0 H TYR A 167 -0.990 -5.992 2.286 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.296 -8.568 0.881 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.864 -7.662 3.321 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.187 -9.096 2.367 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -1.162 -10.806 2.178 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.519 -7.849 5.224 1.00 0.79 H new ATOM 0 HE1 TYR A 167 0.350 -12.104 3.610 1.00 0.94 H new ATOM 0 HE2 TYR A 167 0.001 -9.143 6.656 1.00 0.97 H new ATOM 0 HH TYR A 167 1.980 -11.532 5.593 1.00 1.23 H new ATOM 736 N CYS A 168 -3.407 -7.644 -0.228 1.00 0.30 N ATOM 737 CA CYS A 168 -4.504 -7.016 -0.944 1.00 0.38 C ATOM 738 C CYS A 168 -5.655 -6.787 0.028 1.00 0.45 C ATOM 739 O CYS A 168 -5.731 -7.435 1.075 1.00 0.47 O ATOM 740 CB CYS A 168 -4.991 -7.887 -2.108 1.00 0.46 C ATOM 741 SG CYS A 168 -3.687 -8.838 -2.947 1.00 0.52 S ATOM 0 H CYS A 168 -3.198 -8.599 -0.519 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.151 -6.071 -1.357 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.744 -8.581 -1.734 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.483 -7.247 -2.841 1.00 0.46 H new ATOM 0 HG CYS A 168 -3.041 -9.552 -2.074 1.00 0.52 H new ATOM 746 N LYS A 169 -6.560 -5.894 -0.321 1.00 0.60 N ATOM 747 CA LYS A 169 -7.678 -5.583 0.556 1.00 0.72 C ATOM 748 C LYS A 169 -8.571 -6.809 0.738 1.00 0.69 C ATOM 749 O LYS A 169 -9.235 -6.960 1.764 1.00 0.75 O ATOM 750 CB LYS A 169 -8.491 -4.417 -0.011 1.00 0.94 C ATOM 751 CG LYS A 169 -9.476 -3.828 0.982 1.00 1.57 C ATOM 752 CD LYS A 169 -10.340 -2.752 0.350 1.00 1.97 C ATOM 753 CE LYS A 169 -11.252 -2.102 1.378 1.00 2.66 C ATOM 754 NZ LYS A 169 -12.117 -3.095 2.073 1.00 3.12 N ATOM 0 H LYS A 169 -6.547 -5.373 -1.198 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.282 -5.293 1.529 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -7.808 -3.634 -0.341 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -9.035 -4.758 -0.892 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -10.113 -4.620 1.376 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -8.932 -3.407 1.827 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -9.704 -1.993 -0.107 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -10.941 -3.187 -0.449 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -10.647 -1.572 2.114 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -11.879 -1.358 0.886 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -12.845 -2.596 2.623 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -12.575 -3.709 1.370 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -11.536 -3.674 2.712 1.00 3.12 H new ATOM 768 N VAL A 170 -8.566 -7.695 -0.257 1.00 0.70 N ATOM 769 CA VAL A 170 -9.427 -8.870 -0.239 1.00 0.77 C ATOM 770 C VAL A 170 -8.851 -9.994 0.626 1.00 0.69 C ATOM 771 O VAL A 170 -9.546 -10.516 1.498 1.00 0.78 O ATOM 772 CB VAL A 170 -9.662 -9.410 -1.665 1.00 0.88 C ATOM 773 CG1 VAL A 170 -10.551 -10.648 -1.641 1.00 1.02 C ATOM 774 CG2 VAL A 170 -10.266 -8.334 -2.552 1.00 1.02 C ATOM 0 H VAL A 170 -7.974 -7.619 -1.084 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.374 -8.547 0.193 1.00 0.77 H new ATOM 0 HB VAL A 170 -8.696 -9.697 -2.081 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -10.701 -11.008 -2.659 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -10.074 -11.427 -1.047 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -11.515 -10.395 -1.200 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -10.424 -8.734 -3.553 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -11.220 -8.012 -2.135 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.587 -7.483 -2.605 1.00 1.02 H new ATOM 784 N CYS A 171 -7.583 -10.350 0.410 1.00 0.58 N ATOM 785 CA CYS A 171 -6.990 -11.478 1.119 1.00 0.59 C ATOM 786 C CYS A 171 -6.765 -11.135 2.590 1.00 0.57 C ATOM 787 O CYS A 171 -6.900 -11.994 3.468 1.00 0.66 O ATOM 788 CB CYS A 171 -5.686 -11.928 0.447 1.00 0.58 C ATOM 789 SG CYS A 171 -4.453 -10.612 0.229 1.00 0.80 S ATOM 0 H CYS A 171 -6.956 -9.878 -0.242 1.00 0.58 H new ATOM 0 HA CYS A 171 -7.689 -12.313 1.073 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -5.244 -12.727 1.042 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -5.923 -12.351 -0.529 1.00 0.58 H new ATOM 0 HG CYS A 171 -4.450 -10.221 -1.011 1.00 0.80 H new ATOM 794 N TYR A 172 -6.434 -9.876 2.855 1.00 0.51 N ATOM 795 CA TYR A 172 -6.266 -9.413 4.223 1.00 0.59 C ATOM 796 C TYR A 172 -7.589 -9.475 4.978 1.00 0.67 C ATOM 797 O TYR A 172 -7.628 -9.885 6.133 1.00 0.76 O ATOM 798 CB TYR A 172 -5.712 -7.987 4.264 1.00 0.65 C ATOM 799 CG TYR A 172 -5.501 -7.474 5.672 1.00 0.89 C ATOM 800 CD1 TYR A 172 -4.479 -7.979 6.464 1.00 1.29 C ATOM 801 CD2 TYR A 172 -6.336 -6.506 6.217 1.00 1.24 C ATOM 802 CE1 TYR A 172 -4.291 -7.532 7.754 1.00 1.57 C ATOM 803 CE2 TYR A 172 -6.154 -6.054 7.511 1.00 1.45 C ATOM 804 CZ TYR A 172 -5.129 -6.571 8.274 1.00 1.48 C ATOM 805 OH TYR A 172 -4.940 -6.130 9.566 1.00 1.78 O ATOM 0 H TYR A 172 -6.278 -9.163 2.143 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.548 -10.075 4.707 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -4.764 -7.956 3.726 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -6.398 -7.322 3.740 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -3.820 -8.735 6.063 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -7.140 -6.100 5.620 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -3.489 -7.934 8.355 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -6.811 -5.301 7.921 1.00 1.45 H new ATOM 0 HH TYR A 172 -5.613 -5.451 9.782 1.00 1.78 H new ATOM 815 N ALA A 173 -8.670 -9.077 4.321 1.00 0.72 N ATOM 816 CA ALA A 173 -9.988 -9.107 4.943 1.00 0.87 C ATOM 817 C ALA A 173 -10.485 -10.541 5.082 1.00 0.91 C ATOM 818 O ALA A 173 -11.239 -10.864 5.999 1.00 1.05 O ATOM 819 CB ALA A 173 -10.978 -8.274 4.142 1.00 1.05 C ATOM 0 H ALA A 173 -8.661 -8.731 3.362 1.00 0.72 H new ATOM 0 HA ALA A 173 -9.904 -8.675 5.940 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -11.956 -8.309 4.623 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -10.632 -7.241 4.098 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.056 -8.674 3.131 1.00 1.05 H new ATOM 825 N LYS A 174 -10.048 -11.394 4.169 1.00 0.89 N ATOM 826 CA LYS A 174 -10.466 -12.786 4.147 1.00 1.06 C ATOM 827 C LYS A 174 -9.760 -13.598 5.233 1.00 1.08 C ATOM 828 O LYS A 174 -10.406 -14.238 6.061 1.00 1.27 O ATOM 829 CB LYS A 174 -10.185 -13.392 2.766 1.00 1.17 C ATOM 830 CG LYS A 174 -10.593 -14.849 2.639 1.00 1.67 C ATOM 831 CD LYS A 174 -10.331 -15.390 1.241 1.00 2.21 C ATOM 832 CE LYS A 174 -10.804 -16.827 1.113 1.00 2.63 C ATOM 833 NZ LYS A 174 -10.598 -17.370 -0.253 1.00 3.36 N ATOM 0 H LYS A 174 -9.397 -11.142 3.426 1.00 0.89 H new ATOM 0 HA LYS A 174 -11.537 -12.822 4.348 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -10.713 -12.810 2.010 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -9.120 -13.303 2.551 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -10.044 -15.445 3.368 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -11.652 -14.952 2.876 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -10.842 -14.769 0.506 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -9.265 -15.334 1.020 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -10.270 -17.448 1.832 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -11.862 -16.882 1.368 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -10.936 -18.353 -0.291 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -11.128 -16.795 -0.939 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -9.585 -17.343 -0.488 1.00 3.36 H new ATOM 847 N ASN A 175 -8.438 -13.560 5.229 1.00 1.04 N ATOM 848 CA ASN A 175 -7.647 -14.393 6.130 1.00 1.24 C ATOM 849 C ASN A 175 -7.288 -13.668 7.417 1.00 1.33 C ATOM 850 O ASN A 175 -7.186 -14.308 8.462 1.00 1.56 O ATOM 851 CB ASN A 175 -6.364 -14.853 5.440 1.00 1.47 C ATOM 852 CG ASN A 175 -6.615 -15.869 4.345 1.00 1.90 C ATOM 853 OD1 ASN A 175 -7.555 -16.661 4.418 1.00 2.65 O ATOM 854 ND2 ASN A 175 -5.778 -15.851 3.322 1.00 2.25 N ATOM 0 H ASN A 175 -7.887 -12.962 4.613 1.00 1.04 H new ATOM 0 HA ASN A 175 -8.264 -15.254 6.386 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -5.855 -13.987 5.016 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -5.693 -15.285 6.182 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -5.898 -16.510 2.553 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -5.012 -15.178 3.302 1.00 2.25 H new ATOM 861 N PHE A 176 -7.113 -12.343 7.336 1.00 1.30 N ATOM 862 CA PHE A 176 -6.672 -11.518 8.477 1.00 1.58 C ATOM 863 C PHE A 176 -5.575 -12.214 9.287 1.00 2.55 C ATOM 864 O PHE A 176 -5.604 -12.246 10.520 1.00 3.04 O ATOM 865 CB PHE A 176 -7.858 -11.097 9.378 1.00 1.55 C ATOM 866 CG PHE A 176 -8.764 -12.216 9.820 1.00 2.24 C ATOM 867 CD1 PHE A 176 -8.492 -12.939 10.971 1.00 2.73 C ATOM 868 CD2 PHE A 176 -9.887 -12.542 9.079 1.00 2.85 C ATOM 869 CE1 PHE A 176 -9.322 -13.965 11.373 1.00 3.72 C ATOM 870 CE2 PHE A 176 -10.722 -13.567 9.476 1.00 3.93 C ATOM 871 CZ PHE A 176 -10.439 -14.279 10.625 1.00 4.32 C ATOM 0 H PHE A 176 -7.272 -11.810 6.481 1.00 1.30 H new ATOM 0 HA PHE A 176 -6.243 -10.606 8.062 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -7.461 -10.602 10.264 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -8.455 -10.359 8.842 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -7.620 -12.696 11.560 1.00 2.73 H new ATOM 0 HD2 PHE A 176 -10.112 -11.988 8.180 1.00 2.85 H new ATOM 0 HE1 PHE A 176 -9.098 -14.521 12.271 1.00 3.72 H new ATOM 0 HE2 PHE A 176 -11.595 -13.812 8.889 1.00 3.93 H new ATOM 0 HZ PHE A 176 -11.091 -15.081 10.938 1.00 4.32 H new