USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 532 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: B 11 CYS SG : rot -100:sc= 1.11 USER MOD Set 1.2: B 14 CYS SG : rot -110:sc= -5.58! USER MOD Set 1.3: B 27 HIS :FLIP no HE2:sc= -0.183 F(o=-5.8,f=-2.7) USER MOD Set 1.4: B 28 GLN : amide:sc= 1.2 K(o=-2.7,f=-5.4) USER MOD Set 1.5: B 32 CYS SG : rot -129:sc= 0.755! USER MOD Set 2.1: A 222 HIS : +bothHN:sc= 1.14 K(o=2.6,f=-10!) USER MOD Set 2.2: A 232 HIS : no HD1:sc= 0.0781 K(o=2.6,f=0.14) USER MOD Set 2.3: A 238 ASN : amide:sc= 1.43 K(o=2.6,f=-1.1) USER MOD Set 3.1: A 231 TYR OH : rot -152:sc= 1.21 USER MOD Set 3.2: B 30 TYR OH : rot -140:sc= 0.885 USER MOD Set 4.1: A 204 CYS SG : rot -165:sc= 1.41 USER MOD Set 4.2: A 207 CYS SG : rot -96:sc= 2.12 USER MOD Set 4.3: A 225 CYS SG : rot -81:sc= 1.44 USER MOD Set 4.4: A 228 CYS SG : rot 69:sc= 0.198! USER MOD Single : A 206 ASN :FLIP amide:sc= -1.16 F(o=-4.6!,f=-1.2) USER MOD Single : A 210 THR OG1 : rot -162:sc= 1.62 USER MOD Single : A 212 THR OG1 : rot -127:sc= 1.01 USER MOD Single : A 220 THR OG1 : rot 117:sc= 1.43 USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= 0.936 K(o=0.94,f=-4!) USER MOD Single : A 233 LYS NZ :NH3+ -130:sc= 1.24 (180deg=-0.214) USER MOD Single : A 234 MET CE :methyl -127:sc= -0.876 (180deg=-1.49) USER MOD Single : A 235 ASN : amide:sc= 0.149 X(o=0.15,f=-0.11) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl -140:sc= 0 (180deg=-0.0535) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 100:sc= 1.42 USER MOD Single : B 22 SER OG : rot 180:sc= 0.144 USER MOD Single : B 23 THR OG1 : rot 160:sc= -0.2 USER MOD Single : B 31 TYR OH : rot -139:sc= 1.28 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= -0.0726 X(o=-0.073,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -2.019 13.745 0.002 1.00 1.00 N ATOM 2 CA GLU A 200 -2.105 14.790 1.047 1.00 1.00 C ATOM 3 C GLU A 200 -2.551 14.190 2.377 1.00 1.00 C ATOM 4 O GLU A 200 -1.857 14.312 3.385 1.00 1.00 O ATOM 5 CB GLU A 200 -3.080 15.896 0.626 1.00 1.00 C ATOM 6 CG GLU A 200 -2.556 16.786 -0.493 1.00 1.00 C ATOM 7 CD GLU A 200 -2.716 16.160 -1.863 1.00 1.00 C ATOM 8 OE1 GLU A 200 -1.981 15.204 -2.170 1.00 1.00 O ATOM 9 OE2 GLU A 200 -3.579 16.622 -2.638 1.00 1.00 O ATOM 0 HA GLU A 200 -1.112 15.221 1.171 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -4.016 15.439 0.306 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -3.308 16.516 1.493 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -3.084 17.740 -0.470 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -1.502 17.001 -0.317 1.00 1.00 H new ATOM 16 N ALA A 201 -3.709 13.538 2.371 1.00 1.00 N ATOM 17 CA ALA A 201 -4.249 12.929 3.580 1.00 1.00 C ATOM 18 C ALA A 201 -3.556 11.607 3.891 1.00 1.00 C ATOM 19 O ALA A 201 -3.068 11.396 4.999 1.00 1.00 O ATOM 20 CB ALA A 201 -5.754 12.724 3.447 1.00 1.00 C ATOM 0 H ALA A 201 -4.291 13.418 1.542 1.00 1.00 H new ATOM 0 HA ALA A 201 -4.060 13.609 4.411 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -6.141 12.268 4.358 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -6.240 13.687 3.288 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -5.959 12.070 2.599 1.00 1.00 H new ATOM 26 N ARG A 202 -3.514 10.725 2.904 1.00 1.00 N ATOM 27 CA ARG A 202 -2.889 9.418 3.056 1.00 1.00 C ATOM 28 C ARG A 202 -2.567 8.862 1.674 1.00 1.00 C ATOM 29 O ARG A 202 -3.118 9.326 0.674 1.00 1.00 O ATOM 30 CB ARG A 202 -3.823 8.472 3.837 1.00 1.00 C ATOM 31 CG ARG A 202 -3.227 7.109 4.172 1.00 1.00 C ATOM 32 CD ARG A 202 -2.175 7.170 5.279 1.00 1.00 C ATOM 33 NE ARG A 202 -2.110 8.472 5.953 1.00 1.00 N ATOM 34 CZ ARG A 202 -0.979 9.004 6.430 1.00 1.00 C ATOM 35 NH1 ARG A 202 0.169 8.341 6.322 1.00 1.00 N ATOM 36 NH2 ARG A 202 -0.998 10.198 7.017 1.00 1.00 N ATOM 0 H ARG A 202 -3.910 10.893 1.979 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.963 9.509 3.623 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -4.117 8.961 4.766 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -4.732 8.321 3.255 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.027 6.434 4.476 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -2.777 6.685 3.274 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -2.391 6.398 6.017 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -1.198 6.941 4.854 1.00 1.00 H new ATOM 0 HE ARG A 202 -2.975 9.001 6.064 1.00 1.00 H new ATOM 0 HH11 ARG A 202 0.189 7.425 5.875 1.00 1.00 H new ATOM 0 HH12 ARG A 202 1.030 8.749 6.687 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -1.876 10.710 7.104 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -0.134 10.602 7.380 1.00 1.00 H new ATOM 50 N GLU A 203 -1.658 7.907 1.614 1.00 1.00 N ATOM 51 CA GLU A 203 -1.261 7.304 0.355 1.00 1.00 C ATOM 52 C GLU A 203 -1.727 5.854 0.276 1.00 1.00 C ATOM 53 O GLU A 203 -1.556 5.086 1.223 1.00 1.00 O ATOM 54 CB GLU A 203 0.264 7.366 0.188 1.00 1.00 C ATOM 55 CG GLU A 203 0.991 8.093 1.314 1.00 1.00 C ATOM 56 CD GLU A 203 1.144 7.250 2.569 1.00 1.00 C ATOM 57 OE1 GLU A 203 0.204 7.210 3.385 1.00 1.00 O ATOM 58 OE2 GLU A 203 2.212 6.637 2.753 1.00 1.00 O ATOM 0 H GLU A 203 -1.177 7.529 2.430 1.00 1.00 H new ATOM 0 HA GLU A 203 -1.733 7.868 -0.450 1.00 1.00 H new ATOM 0 HB2 GLU A 203 0.651 6.350 0.118 1.00 1.00 H new ATOM 0 HB3 GLU A 203 0.494 7.860 -0.756 1.00 1.00 H new ATOM 0 HG2 GLU A 203 1.978 8.396 0.965 1.00 1.00 H new ATOM 0 HG3 GLU A 203 0.447 9.005 1.560 1.00 1.00 H new ATOM 65 N CYS A 204 -2.333 5.492 -0.850 1.00 1.00 N ATOM 66 CA CYS A 204 -2.797 4.132 -1.060 1.00 1.00 C ATOM 67 C CYS A 204 -1.650 3.283 -1.591 1.00 1.00 C ATOM 68 O CYS A 204 -0.712 3.798 -2.205 1.00 1.00 O ATOM 69 CB CYS A 204 -3.975 4.104 -2.040 1.00 1.00 C ATOM 70 SG CYS A 204 -4.599 2.434 -2.441 1.00 1.00 S ATOM 0 H CYS A 204 -2.513 6.125 -1.630 1.00 1.00 H new ATOM 0 HA CYS A 204 -3.140 3.725 -0.109 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -4.792 4.691 -1.621 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -3.672 4.595 -2.965 1.00 1.00 H new ATOM 0 HG CYS A 204 -5.360 2.496 -3.493 1.00 1.00 H new ATOM 75 N VAL A 205 -1.738 1.988 -1.370 1.00 1.00 N ATOM 76 CA VAL A 205 -0.705 1.068 -1.809 1.00 1.00 C ATOM 77 C VAL A 205 -1.056 0.457 -3.155 1.00 1.00 C ATOM 78 O VAL A 205 -0.223 -0.193 -3.789 1.00 1.00 O ATOM 79 CB VAL A 205 -0.507 -0.070 -0.793 1.00 1.00 C ATOM 80 CG1 VAL A 205 -0.017 0.472 0.534 1.00 1.00 C ATOM 81 CG2 VAL A 205 -1.800 -0.846 -0.603 1.00 1.00 C ATOM 0 H VAL A 205 -2.519 1.545 -0.886 1.00 1.00 H new ATOM 0 HA VAL A 205 0.217 1.643 -1.896 1.00 1.00 H new ATOM 0 HB VAL A 205 0.251 -0.748 -1.186 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.116 -0.351 1.236 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.935 0.983 0.389 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.749 1.175 0.933 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -1.641 -1.647 0.119 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -2.576 -0.175 -0.235 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -2.111 -1.273 -1.556 1.00 1.00 H new ATOM 91 N ASN A 206 -2.296 0.658 -3.575 1.00 1.00 N ATOM 92 CA ASN A 206 -2.770 0.114 -4.839 1.00 1.00 C ATOM 93 C ASN A 206 -2.803 1.192 -5.910 1.00 1.00 C ATOM 94 O ASN A 206 -2.495 0.929 -7.074 1.00 1.00 O ATOM 95 CB ASN A 206 -4.161 -0.499 -4.676 1.00 1.00 C ATOM 96 CG ASN A 206 -4.136 -1.920 -4.137 1.00 1.00 C ATOM 97 OD1 ASN A 206 -3.169 -2.226 -3.286 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -4.989 -2.738 -4.480 1.00 1.00 N flip ATOM 0 H ASN A 206 -2.993 1.194 -3.058 1.00 1.00 H new ATOM 0 HA ASN A 206 -2.076 -0.667 -5.149 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.749 0.126 -4.004 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -4.668 -0.493 -5.641 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -5.720 -2.467 -5.138 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -4.965 -3.687 -4.106 1.00 1.00 H new ATOM 105 N CYS A 207 -3.169 2.407 -5.518 1.00 1.00 N ATOM 106 CA CYS A 207 -3.234 3.513 -6.458 1.00 1.00 C ATOM 107 C CYS A 207 -2.486 4.731 -5.929 1.00 1.00 C ATOM 108 O CYS A 207 -1.507 5.187 -6.520 1.00 1.00 O ATOM 109 CB CYS A 207 -4.697 3.870 -6.753 1.00 1.00 C ATOM 110 SG CYS A 207 -5.729 4.167 -5.275 1.00 1.00 S ATOM 0 H CYS A 207 -3.424 2.648 -4.560 1.00 1.00 H new ATOM 0 HA CYS A 207 -2.751 3.200 -7.384 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -4.719 4.762 -7.379 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -5.143 3.062 -7.333 1.00 1.00 H new ATOM 0 HG CYS A 207 -6.371 3.079 -4.968 1.00 1.00 H new ATOM 115 N GLY A 208 -2.948 5.240 -4.809 1.00 1.00 N ATOM 116 CA GLY A 208 -2.340 6.404 -4.212 1.00 1.00 C ATOM 117 C GLY A 208 -3.320 7.549 -4.137 1.00 1.00 C ATOM 118 O GLY A 208 -2.948 8.679 -3.822 1.00 1.00 O ATOM 0 H GLY A 208 -3.744 4.864 -4.294 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -1.984 6.160 -3.211 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -1.470 6.704 -4.796 1.00 1.00 H new ATOM 122 N ALA A 209 -4.577 7.246 -4.441 1.00 1.00 N ATOM 123 CA ALA A 209 -5.644 8.235 -4.414 1.00 1.00 C ATOM 124 C ALA A 209 -5.802 8.845 -3.025 1.00 1.00 C ATOM 125 O ALA A 209 -6.235 8.180 -2.086 1.00 1.00 O ATOM 126 CB ALA A 209 -6.955 7.608 -4.862 1.00 1.00 C ATOM 0 H ALA A 209 -4.883 6.311 -4.712 1.00 1.00 H new ATOM 0 HA ALA A 209 -5.375 9.035 -5.104 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -7.745 8.359 -4.837 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -6.848 7.228 -5.878 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -7.213 6.787 -4.193 1.00 1.00 H new ATOM 132 N THR A 210 -5.456 10.115 -2.908 1.00 1.00 N ATOM 133 CA THR A 210 -5.555 10.822 -1.645 1.00 1.00 C ATOM 134 C THR A 210 -6.840 11.648 -1.601 1.00 1.00 C ATOM 135 O THR A 210 -7.146 12.296 -0.597 1.00 1.00 O ATOM 136 CB THR A 210 -4.329 11.741 -1.417 1.00 1.00 C ATOM 137 OG1 THR A 210 -4.499 12.505 -0.214 1.00 1.00 O ATOM 138 CG2 THR A 210 -4.130 12.685 -2.594 1.00 1.00 C ATOM 0 H THR A 210 -5.101 10.681 -3.679 1.00 1.00 H new ATOM 0 HA THR A 210 -5.577 10.080 -0.847 1.00 1.00 H new ATOM 0 HB THR A 210 -3.447 11.108 -1.324 1.00 1.00 H new ATOM 0 HG1 THR A 210 -3.888 13.271 -0.224 1.00 1.00 H new ATOM 0 HG21 THR A 210 -3.263 13.319 -2.409 1.00 1.00 H new ATOM 0 HG22 THR A 210 -3.968 12.105 -3.502 1.00 1.00 H new ATOM 0 HG23 THR A 210 -5.016 13.308 -2.715 1.00 1.00 H new ATOM 146 N ALA A 211 -7.585 11.616 -2.698 1.00 1.00 N ATOM 147 CA ALA A 211 -8.836 12.353 -2.800 1.00 1.00 C ATOM 148 C ALA A 211 -10.039 11.425 -2.652 1.00 1.00 C ATOM 149 O ALA A 211 -11.146 11.750 -3.087 1.00 1.00 O ATOM 150 CB ALA A 211 -8.896 13.091 -4.124 1.00 1.00 C ATOM 0 H ALA A 211 -7.342 11.084 -3.534 1.00 1.00 H new ATOM 0 HA ALA A 211 -8.873 13.077 -1.986 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -9.835 13.640 -4.192 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -8.062 13.790 -4.189 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.834 12.374 -4.943 1.00 1.00 H new ATOM 156 N THR A 212 -9.818 10.268 -2.045 1.00 1.00 N ATOM 157 CA THR A 212 -10.886 9.304 -1.829 1.00 1.00 C ATOM 158 C THR A 212 -11.850 9.810 -0.754 1.00 1.00 C ATOM 159 O THR A 212 -11.429 10.430 0.225 1.00 1.00 O ATOM 160 CB THR A 212 -10.323 7.919 -1.430 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.385 7.013 -1.097 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.367 8.035 -0.256 1.00 1.00 C ATOM 0 H THR A 212 -8.907 9.974 -1.693 1.00 1.00 H new ATOM 0 HA THR A 212 -11.427 9.190 -2.768 1.00 1.00 H new ATOM 0 HB THR A 212 -9.778 7.528 -2.289 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.221 6.629 -0.210 1.00 1.00 H new ATOM 0 HG21 THR A 212 -8.987 7.047 0.003 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.535 8.684 -0.527 1.00 1.00 H new ATOM 0 HG23 THR A 212 -9.892 8.457 0.601 1.00 1.00 H new ATOM 170 N PRO A 213 -13.160 9.579 -0.941 1.00 1.00 N ATOM 171 CA PRO A 213 -14.187 10.014 0.012 1.00 1.00 C ATOM 172 C PRO A 213 -14.034 9.353 1.382 1.00 1.00 C ATOM 173 O PRO A 213 -14.412 9.925 2.404 1.00 1.00 O ATOM 174 CB PRO A 213 -15.504 9.584 -0.645 1.00 1.00 C ATOM 175 CG PRO A 213 -15.125 8.541 -1.640 1.00 1.00 C ATOM 176 CD PRO A 213 -13.743 8.893 -2.107 1.00 1.00 C ATOM 0 HA PRO A 213 -14.125 11.085 0.205 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -16.201 9.188 0.094 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -15.997 10.428 -1.128 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -15.143 7.548 -1.190 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -15.826 8.526 -2.474 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.172 8.006 -2.380 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -13.767 9.539 -2.985 1.00 1.00 H new ATOM 184 N LEU A 214 -13.471 8.152 1.399 1.00 1.00 N ATOM 185 CA LEU A 214 -13.275 7.421 2.640 1.00 1.00 C ATOM 186 C LEU A 214 -12.079 6.482 2.526 1.00 1.00 C ATOM 187 O LEU A 214 -11.686 6.098 1.425 1.00 1.00 O ATOM 188 CB LEU A 214 -14.538 6.626 2.988 1.00 1.00 C ATOM 189 CG LEU A 214 -14.598 6.093 4.422 1.00 1.00 C ATOM 190 CD1 LEU A 214 -14.670 7.241 5.420 1.00 1.00 C ATOM 191 CD2 LEU A 214 -15.784 5.157 4.593 1.00 1.00 C ATOM 0 H LEU A 214 -13.142 7.664 0.566 1.00 1.00 H new ATOM 0 HA LEU A 214 -13.077 8.138 3.436 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -15.407 7.262 2.817 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -14.619 5.784 2.301 1.00 1.00 H new ATOM 0 HG LEU A 214 -13.685 5.530 4.617 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -14.712 6.840 6.433 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -13.786 7.870 5.315 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -15.563 7.835 5.227 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -15.811 4.788 5.618 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -16.707 5.696 4.377 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -15.686 4.316 3.907 1.00 1.00 H new ATOM 203 N TRP A 215 -11.503 6.131 3.665 1.00 1.00 N ATOM 204 CA TRP A 215 -10.362 5.232 3.712 1.00 1.00 C ATOM 205 C TRP A 215 -10.795 3.900 4.307 1.00 1.00 C ATOM 206 O TRP A 215 -11.851 3.814 4.935 1.00 1.00 O ATOM 207 CB TRP A 215 -9.234 5.840 4.553 1.00 1.00 C ATOM 208 CG TRP A 215 -8.785 7.186 4.072 1.00 1.00 C ATOM 209 CD1 TRP A 215 -9.200 8.403 4.535 1.00 1.00 C ATOM 210 CD2 TRP A 215 -7.833 7.450 3.039 1.00 1.00 C ATOM 211 NE1 TRP A 215 -8.568 9.407 3.845 1.00 1.00 N ATOM 212 CE2 TRP A 215 -7.723 8.849 2.922 1.00 1.00 C ATOM 213 CE3 TRP A 215 -7.064 6.641 2.196 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -6.876 9.453 1.999 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -6.223 7.241 1.280 1.00 1.00 C ATOM 216 CH2 TRP A 215 -6.134 8.636 1.189 1.00 1.00 C ATOM 0 H TRP A 215 -11.812 6.460 4.580 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.990 5.076 2.700 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -9.569 5.926 5.587 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -8.382 5.160 4.549 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -9.919 8.553 5.327 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -8.705 10.407 3.995 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -7.127 5.565 2.261 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -6.806 10.528 1.924 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -5.625 6.626 0.624 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -5.466 9.077 0.464 1.00 1.00 H new ATOM 227 N ARG A 216 -9.991 2.868 4.111 1.00 1.00 N ATOM 228 CA ARG A 216 -10.314 1.552 4.636 1.00 1.00 C ATOM 229 C ARG A 216 -9.065 0.863 5.169 1.00 1.00 C ATOM 230 O ARG A 216 -7.941 1.236 4.829 1.00 1.00 O ATOM 231 CB ARG A 216 -10.964 0.689 3.552 1.00 1.00 C ATOM 232 CG ARG A 216 -11.984 -0.298 4.089 1.00 1.00 C ATOM 233 CD ARG A 216 -13.220 0.412 4.613 1.00 1.00 C ATOM 234 NE ARG A 216 -13.975 1.063 3.540 1.00 1.00 N ATOM 235 CZ ARG A 216 -15.210 1.543 3.684 1.00 1.00 C ATOM 236 NH1 ARG A 216 -15.826 1.473 4.863 1.00 1.00 N ATOM 237 NH2 ARG A 216 -15.827 2.102 2.651 1.00 1.00 N ATOM 0 H ARG A 216 -9.113 2.916 3.594 1.00 1.00 H new ATOM 0 HA ARG A 216 -11.019 1.678 5.457 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -11.449 1.340 2.824 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -10.186 0.141 3.021 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -12.269 -0.994 3.300 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -11.536 -0.888 4.888 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -13.862 -0.306 5.124 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -12.924 1.157 5.352 1.00 1.00 H new ATOM 0 HE ARG A 216 -13.529 1.155 2.627 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -15.352 1.050 5.662 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -16.771 1.842 4.967 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -15.356 2.164 1.748 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -16.772 2.470 2.760 1.00 1.00 H new ATOM 251 N ARG A 217 -9.271 -0.136 6.010 1.00 1.00 N ATOM 252 CA ARG A 217 -8.177 -0.890 6.594 1.00 1.00 C ATOM 253 C ARG A 217 -8.607 -2.338 6.808 1.00 1.00 C ATOM 254 O ARG A 217 -9.773 -2.603 7.101 1.00 1.00 O ATOM 255 CB ARG A 217 -7.753 -0.264 7.925 1.00 1.00 C ATOM 256 CG ARG A 217 -6.538 -0.927 8.542 1.00 1.00 C ATOM 257 CD ARG A 217 -6.650 -0.997 10.053 1.00 1.00 C ATOM 258 NE ARG A 217 -6.125 -2.257 10.574 1.00 1.00 N ATOM 259 CZ ARG A 217 -5.384 -2.358 11.675 1.00 1.00 C ATOM 260 NH1 ARG A 217 -5.090 -1.282 12.386 1.00 1.00 N ATOM 261 NH2 ARG A 217 -4.942 -3.547 12.065 1.00 1.00 N ATOM 0 H ARG A 217 -10.197 -0.446 6.306 1.00 1.00 H new ATOM 0 HA ARG A 217 -7.326 -0.867 5.913 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -7.541 0.794 7.769 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -8.585 -0.322 8.627 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.426 -1.933 8.137 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -5.641 -0.372 8.268 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -6.106 -0.164 10.498 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -7.694 -0.888 10.346 1.00 1.00 H new ATOM 0 HE ARG A 217 -6.340 -3.113 10.062 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -5.432 -0.367 12.092 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -4.522 -1.367 13.229 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -5.170 -4.379 11.522 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -4.374 -3.628 12.908 1.00 1.00 H new ATOM 275 N ASP A 218 -7.679 -3.269 6.651 1.00 1.00 N ATOM 276 CA ASP A 218 -7.984 -4.684 6.839 1.00 1.00 C ATOM 277 C ASP A 218 -7.660 -5.114 8.269 1.00 1.00 C ATOM 278 O ASP A 218 -7.287 -4.288 9.107 1.00 1.00 O ATOM 279 CB ASP A 218 -7.224 -5.553 5.821 1.00 1.00 C ATOM 280 CG ASP A 218 -5.720 -5.594 6.044 1.00 1.00 C ATOM 281 OD1 ASP A 218 -5.202 -4.803 6.853 1.00 1.00 O ATOM 282 OD2 ASP A 218 -5.043 -6.419 5.398 1.00 1.00 O ATOM 0 H ASP A 218 -6.711 -3.074 6.395 1.00 1.00 H new ATOM 0 HA ASP A 218 -9.051 -4.828 6.669 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -7.615 -6.570 5.863 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -7.422 -5.176 4.818 1.00 1.00 H new ATOM 287 N ARG A 219 -7.801 -6.400 8.550 1.00 1.00 N ATOM 288 CA ARG A 219 -7.527 -6.920 9.881 1.00 1.00 C ATOM 289 C ARG A 219 -6.027 -6.923 10.159 1.00 1.00 C ATOM 290 O ARG A 219 -5.592 -6.668 11.283 1.00 1.00 O ATOM 291 CB ARG A 219 -8.096 -8.335 10.017 1.00 1.00 C ATOM 292 CG ARG A 219 -7.857 -8.970 11.377 1.00 1.00 C ATOM 293 CD ARG A 219 -8.473 -10.361 11.457 1.00 1.00 C ATOM 294 NE ARG A 219 -8.215 -11.145 10.247 1.00 1.00 N ATOM 295 CZ ARG A 219 -7.307 -12.119 10.163 1.00 1.00 C ATOM 296 NH1 ARG A 219 -6.568 -12.443 11.216 1.00 1.00 N ATOM 297 NH2 ARG A 219 -7.134 -12.765 9.019 1.00 1.00 N ATOM 0 H ARG A 219 -8.103 -7.102 7.875 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.009 -6.273 10.614 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -9.169 -8.304 9.825 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -7.653 -8.969 9.249 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -6.786 -9.033 11.567 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.282 -8.337 12.156 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -8.070 -10.887 12.323 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -9.549 -10.273 11.610 1.00 1.00 H new ATOM 0 HE ARG A 219 -8.765 -10.933 9.415 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -6.692 -11.946 12.098 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -5.876 -13.189 11.143 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -7.695 -12.517 8.204 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -6.440 -13.510 8.954 1.00 1.00 H new ATOM 311 N THR A 220 -5.245 -7.186 9.125 1.00 1.00 N ATOM 312 CA THR A 220 -3.794 -7.233 9.246 1.00 1.00 C ATOM 313 C THR A 220 -3.217 -5.890 9.701 1.00 1.00 C ATOM 314 O THR A 220 -2.477 -5.820 10.685 1.00 1.00 O ATOM 315 CB THR A 220 -3.160 -7.631 7.903 1.00 1.00 C ATOM 316 OG1 THR A 220 -4.147 -8.266 7.076 1.00 1.00 O ATOM 317 CG2 THR A 220 -1.987 -8.576 8.113 1.00 1.00 C ATOM 0 H THR A 220 -5.593 -7.372 8.184 1.00 1.00 H new ATOM 0 HA THR A 220 -3.557 -7.980 10.003 1.00 1.00 H new ATOM 0 HB THR A 220 -2.792 -6.729 7.415 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.298 -7.725 6.273 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.557 -8.842 7.148 1.00 1.00 H new ATOM 0 HG22 THR A 220 -1.230 -8.086 8.725 1.00 1.00 H new ATOM 0 HG23 THR A 220 -2.333 -9.478 8.617 1.00 1.00 H new ATOM 325 N GLY A 221 -3.573 -4.827 8.992 1.00 1.00 N ATOM 326 CA GLY A 221 -3.077 -3.505 9.328 1.00 1.00 C ATOM 327 C GLY A 221 -2.657 -2.720 8.103 1.00 1.00 C ATOM 328 O GLY A 221 -1.764 -1.876 8.168 1.00 1.00 O ATOM 0 H GLY A 221 -4.199 -4.856 8.187 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -3.851 -2.954 9.862 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -2.228 -3.599 10.005 1.00 1.00 H new ATOM 332 N HIS A 222 -3.305 -2.999 6.983 1.00 1.00 N ATOM 333 CA HIS A 222 -3.005 -2.323 5.731 1.00 1.00 C ATOM 334 C HIS A 222 -4.005 -1.206 5.486 1.00 1.00 C ATOM 335 O HIS A 222 -5.209 -1.449 5.418 1.00 1.00 O ATOM 336 CB HIS A 222 -3.046 -3.307 4.558 1.00 1.00 C ATOM 337 CG HIS A 222 -2.108 -4.470 4.700 1.00 1.00 C ATOM 338 ND1 HIS A 222 -2.539 -5.766 4.878 1.00 1.00 N ATOM 339 CD2 HIS A 222 -0.754 -4.530 4.668 1.00 1.00 C ATOM 340 CE1 HIS A 222 -1.494 -6.568 4.948 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.402 -5.845 4.823 1.00 1.00 N ATOM 0 H HIS A 222 -4.048 -3.695 6.916 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.001 -1.904 5.805 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.063 -3.685 4.450 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -2.806 -2.771 3.640 1.00 1.00 H new ATOM 0 HD1 HIS A 222 -3.514 -6.060 4.945 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -0.079 -3.696 4.544 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -1.529 -7.639 5.085 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.552 -6.205 4.839 1.00 1.00 H new ATOM 350 N TYR A 223 -3.502 0.011 5.375 1.00 1.00 N ATOM 351 CA TYR A 223 -4.347 1.168 5.127 1.00 1.00 C ATOM 352 C TYR A 223 -4.485 1.404 3.629 1.00 1.00 C ATOM 353 O TYR A 223 -3.489 1.445 2.906 1.00 1.00 O ATOM 354 CB TYR A 223 -3.765 2.411 5.806 1.00 1.00 C ATOM 355 CG TYR A 223 -3.428 2.200 7.266 1.00 1.00 C ATOM 356 CD1 TYR A 223 -4.429 2.025 8.212 1.00 1.00 C ATOM 357 CD2 TYR A 223 -2.109 2.172 7.697 1.00 1.00 C ATOM 358 CE1 TYR A 223 -4.125 1.829 9.545 1.00 1.00 C ATOM 359 CE2 TYR A 223 -1.798 1.976 9.029 1.00 1.00 C ATOM 360 CZ TYR A 223 -2.810 1.806 9.948 1.00 1.00 C ATOM 361 OH TYR A 223 -2.505 1.615 11.275 1.00 1.00 O ATOM 0 H TYR A 223 -2.508 0.225 5.453 1.00 1.00 H new ATOM 0 HA TYR A 223 -5.334 0.974 5.546 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.864 2.717 5.274 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -4.480 3.230 5.721 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.463 2.042 7.900 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -1.313 2.306 6.980 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -4.916 1.694 10.268 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -0.766 1.956 9.348 1.00 1.00 H new ATOM 0 HH TYR A 223 -1.532 1.624 11.392 1.00 1.00 H new ATOM 371 N LEU A 224 -5.719 1.533 3.165 1.00 1.00 N ATOM 372 CA LEU A 224 -5.991 1.759 1.753 1.00 1.00 C ATOM 373 C LEU A 224 -7.130 2.762 1.602 1.00 1.00 C ATOM 374 O LEU A 224 -7.622 3.300 2.598 1.00 1.00 O ATOM 375 CB LEU A 224 -6.355 0.440 1.053 1.00 1.00 C ATOM 376 CG LEU A 224 -5.607 -0.801 1.550 1.00 1.00 C ATOM 377 CD1 LEU A 224 -6.541 -1.714 2.331 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.980 -1.548 0.385 1.00 1.00 C ATOM 0 H LEU A 224 -6.553 1.485 3.750 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.092 2.160 1.284 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.425 0.269 1.172 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -6.167 0.552 -0.015 1.00 1.00 H new ATOM 0 HG LEU A 224 -4.810 -0.476 2.218 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -5.990 -2.589 2.675 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -6.941 -1.176 3.190 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -7.362 -2.031 1.688 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -4.453 -2.426 0.757 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -5.760 -1.860 -0.309 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -4.276 -0.894 -0.130 1.00 1.00 H new ATOM 390 N CYS A 225 -7.551 3.006 0.367 1.00 1.00 N ATOM 391 CA CYS A 225 -8.633 3.939 0.109 1.00 1.00 C ATOM 392 C CYS A 225 -9.977 3.227 0.233 1.00 1.00 C ATOM 393 O CYS A 225 -10.123 2.281 1.006 1.00 1.00 O ATOM 394 CB CYS A 225 -8.483 4.544 -1.290 1.00 1.00 C ATOM 395 SG CYS A 225 -8.590 3.328 -2.640 1.00 1.00 S ATOM 0 H CYS A 225 -7.159 2.570 -0.468 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.591 4.742 0.845 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -9.257 5.299 -1.433 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.523 5.056 -1.352 1.00 1.00 H new ATOM 0 HG CYS A 225 -7.443 2.732 -2.779 1.00 1.00 H new ATOM 400 N ASN A 226 -10.949 3.671 -0.539 1.00 1.00 N ATOM 401 CA ASN A 226 -12.266 3.066 -0.516 1.00 1.00 C ATOM 402 C ASN A 226 -12.327 1.913 -1.508 1.00 1.00 C ATOM 403 O ASN A 226 -12.713 0.798 -1.158 1.00 1.00 O ATOM 404 CB ASN A 226 -13.341 4.097 -0.856 1.00 1.00 C ATOM 405 CG ASN A 226 -14.734 3.501 -0.832 1.00 1.00 C ATOM 406 OD1 ASN A 226 -15.084 2.748 0.078 1.00 1.00 O ATOM 407 ND2 ASN A 226 -15.531 3.816 -1.842 1.00 1.00 N ATOM 0 H ASN A 226 -10.851 4.450 -1.191 1.00 1.00 H new ATOM 0 HA ASN A 226 -12.452 2.688 0.489 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -13.288 4.922 -0.146 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -13.143 4.514 -1.844 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -16.474 3.431 -1.886 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -15.201 4.444 -2.575 1.00 1.00 H new ATOM 414 N ALA A 227 -11.913 2.187 -2.740 1.00 1.00 N ATOM 415 CA ALA A 227 -11.919 1.188 -3.800 1.00 1.00 C ATOM 416 C ALA A 227 -10.951 0.052 -3.494 1.00 1.00 C ATOM 417 O ALA A 227 -11.343 -1.119 -3.463 1.00 1.00 O ATOM 418 CB ALA A 227 -11.571 1.831 -5.136 1.00 1.00 C ATOM 0 H ALA A 227 -11.566 3.101 -3.030 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.923 0.769 -3.859 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -11.579 1.072 -5.918 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -12.305 2.602 -5.371 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -10.579 2.280 -5.077 1.00 1.00 H new ATOM 424 N CYS A 228 -9.692 0.394 -3.261 1.00 1.00 N ATOM 425 CA CYS A 228 -8.681 -0.603 -2.957 1.00 1.00 C ATOM 426 C CYS A 228 -8.907 -1.189 -1.562 1.00 1.00 C ATOM 427 O CYS A 228 -8.586 -2.352 -1.299 1.00 1.00 O ATOM 428 CB CYS A 228 -7.292 0.029 -3.063 1.00 1.00 C ATOM 429 SG CYS A 228 -7.049 1.032 -4.569 1.00 1.00 S ATOM 0 H CYS A 228 -9.348 1.354 -3.277 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.754 -1.418 -3.677 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -7.122 0.657 -2.189 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.541 -0.761 -3.039 1.00 1.00 H new ATOM 0 HG CYS A 228 -7.781 2.104 -4.499 1.00 1.00 H new ATOM 434 N GLY A 229 -9.476 -0.375 -0.679 1.00 1.00 N ATOM 435 CA GLY A 229 -9.749 -0.813 0.675 1.00 1.00 C ATOM 436 C GLY A 229 -10.800 -1.901 0.722 1.00 1.00 C ATOM 437 O GLY A 229 -10.595 -2.943 1.349 1.00 1.00 O ATOM 0 H GLY A 229 -9.754 0.586 -0.880 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -8.828 -1.179 1.129 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.082 0.037 1.270 1.00 1.00 H new ATOM 441 N LEU A 230 -11.930 -1.663 0.059 1.00 1.00 N ATOM 442 CA LEU A 230 -13.012 -2.641 0.022 1.00 1.00 C ATOM 443 C LEU A 230 -12.545 -3.912 -0.672 1.00 1.00 C ATOM 444 O LEU A 230 -12.846 -5.023 -0.232 1.00 1.00 O ATOM 445 CB LEU A 230 -14.238 -2.068 -0.697 1.00 1.00 C ATOM 446 CG LEU A 230 -15.074 -1.077 0.116 1.00 1.00 C ATOM 447 CD1 LEU A 230 -16.173 -0.478 -0.750 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.667 -1.759 1.340 1.00 1.00 C ATOM 0 H LEU A 230 -12.119 -0.804 -0.458 1.00 1.00 H new ATOM 0 HA LEU A 230 -13.295 -2.879 1.047 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.904 -1.573 -1.609 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -14.880 -2.895 -1.000 1.00 1.00 H new ATOM 0 HG LEU A 230 -14.424 -0.270 0.456 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -16.760 0.225 -0.159 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -15.726 0.044 -1.596 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.822 -1.274 -1.117 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -16.258 -1.040 1.907 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -16.305 -2.584 1.023 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.863 -2.143 1.968 1.00 1.00 H new ATOM 460 N TYR A 231 -11.792 -3.734 -1.748 1.00 1.00 N ATOM 461 CA TYR A 231 -11.260 -4.855 -2.503 1.00 1.00 C ATOM 462 C TYR A 231 -10.418 -5.751 -1.603 1.00 1.00 C ATOM 463 O TYR A 231 -10.602 -6.960 -1.586 1.00 1.00 O ATOM 464 CB TYR A 231 -10.435 -4.347 -3.695 1.00 1.00 C ATOM 465 CG TYR A 231 -9.238 -5.209 -4.052 1.00 1.00 C ATOM 466 CD1 TYR A 231 -9.395 -6.424 -4.710 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.949 -4.801 -3.727 1.00 1.00 C ATOM 468 CE1 TYR A 231 -8.302 -7.207 -5.031 1.00 1.00 C ATOM 469 CE2 TYR A 231 -6.854 -5.578 -4.045 1.00 1.00 C ATOM 470 CZ TYR A 231 -7.035 -6.779 -4.696 1.00 1.00 C ATOM 471 OH TYR A 231 -5.942 -7.554 -5.013 1.00 1.00 O ATOM 0 H TYR A 231 -11.536 -2.819 -2.118 1.00 1.00 H new ATOM 0 HA TYR A 231 -12.091 -5.446 -2.887 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -11.086 -4.275 -4.566 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -10.086 -3.338 -3.474 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -10.386 -6.761 -4.974 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -7.802 -3.860 -3.217 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -8.440 -8.149 -5.541 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -5.860 -5.246 -3.785 1.00 1.00 H new ATOM 0 HH TYR A 231 -5.220 -7.378 -4.375 1.00 1.00 H new ATOM 481 N HIS A 232 -9.514 -5.145 -0.837 1.00 1.00 N ATOM 482 CA HIS A 232 -8.641 -5.900 0.059 1.00 1.00 C ATOM 483 C HIS A 232 -9.440 -6.563 1.176 1.00 1.00 C ATOM 484 O HIS A 232 -9.084 -7.642 1.647 1.00 1.00 O ATOM 485 CB HIS A 232 -7.563 -4.995 0.662 1.00 1.00 C ATOM 486 CG HIS A 232 -6.328 -5.736 1.076 1.00 1.00 C ATOM 487 ND1 HIS A 232 -6.269 -6.551 2.184 1.00 1.00 N ATOM 488 CD2 HIS A 232 -5.104 -5.793 0.506 1.00 1.00 C ATOM 489 CE1 HIS A 232 -5.061 -7.073 2.278 1.00 1.00 C ATOM 490 NE2 HIS A 232 -4.331 -6.632 1.271 1.00 1.00 N ATOM 0 H HIS A 232 -9.367 -4.136 -0.818 1.00 1.00 H new ATOM 0 HA HIS A 232 -8.159 -6.677 -0.534 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -7.292 -4.230 -0.066 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -7.976 -4.478 1.529 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.791 -5.274 -0.388 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -4.725 -7.749 3.051 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -3.357 -6.874 1.091 1.00 1.00 H new ATOM 499 N LYS A 233 -10.512 -5.907 1.599 1.00 1.00 N ATOM 500 CA LYS A 233 -11.364 -6.429 2.659 1.00 1.00 C ATOM 501 C LYS A 233 -12.046 -7.723 2.218 1.00 1.00 C ATOM 502 O LYS A 233 -12.114 -8.690 2.978 1.00 1.00 O ATOM 503 CB LYS A 233 -12.411 -5.382 3.054 1.00 1.00 C ATOM 504 CG LYS A 233 -13.396 -5.866 4.105 1.00 1.00 C ATOM 505 CD LYS A 233 -14.481 -4.838 4.367 1.00 1.00 C ATOM 506 CE LYS A 233 -15.546 -5.381 5.304 1.00 1.00 C ATOM 507 NZ LYS A 233 -16.351 -6.456 4.666 1.00 1.00 N ATOM 0 H LYS A 233 -10.813 -5.008 1.222 1.00 1.00 H new ATOM 0 HA LYS A 233 -10.742 -6.651 3.526 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -11.901 -4.495 3.429 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -12.963 -5.080 2.164 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -13.851 -6.800 3.776 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -12.864 -6.080 5.032 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -14.037 -3.941 4.799 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -14.941 -4.544 3.423 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -15.072 -5.769 6.206 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -16.205 -4.570 5.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -17.363 -6.252 4.791 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -16.130 -6.499 3.651 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -16.124 -7.369 5.109 1.00 1.00 H new ATOM 521 N MET A 234 -12.528 -7.742 0.983 1.00 1.00 N ATOM 522 CA MET A 234 -13.213 -8.913 0.447 1.00 1.00 C ATOM 523 C MET A 234 -12.316 -9.702 -0.504 1.00 1.00 C ATOM 524 O MET A 234 -12.801 -10.466 -1.336 1.00 1.00 O ATOM 525 CB MET A 234 -14.494 -8.498 -0.283 1.00 1.00 C ATOM 526 CG MET A 234 -15.701 -8.342 0.630 1.00 1.00 C ATOM 527 SD MET A 234 -15.749 -6.751 1.480 1.00 1.00 S ATOM 528 CE MET A 234 -15.984 -5.641 0.093 1.00 1.00 C ATOM 0 H MET A 234 -12.458 -6.960 0.332 1.00 1.00 H new ATOM 0 HA MET A 234 -13.467 -9.555 1.290 1.00 1.00 H new ATOM 0 HB2 MET A 234 -14.317 -7.554 -0.799 1.00 1.00 H new ATOM 0 HB3 MET A 234 -14.722 -9.241 -1.047 1.00 1.00 H new ATOM 0 HG2 MET A 234 -16.611 -8.460 0.042 1.00 1.00 H new ATOM 0 HG3 MET A 234 -15.694 -9.142 1.370 1.00 1.00 H new ATOM 0 HE1 MET A 234 -15.220 -4.864 0.115 1.00 1.00 H new ATOM 0 HE2 MET A 234 -15.905 -6.201 -0.839 1.00 1.00 H new ATOM 0 HE3 MET A 234 -16.970 -5.181 0.158 1.00 1.00 H new ATOM 538 N ASN A 235 -11.010 -9.514 -0.380 1.00 1.00 N ATOM 539 CA ASN A 235 -10.051 -10.219 -1.234 1.00 1.00 C ATOM 540 C ASN A 235 -9.622 -11.522 -0.579 1.00 1.00 C ATOM 541 O ASN A 235 -9.263 -12.486 -1.256 1.00 1.00 O ATOM 542 CB ASN A 235 -8.812 -9.351 -1.490 1.00 1.00 C ATOM 543 CG ASN A 235 -7.857 -9.949 -2.515 1.00 1.00 C ATOM 544 OD1 ASN A 235 -8.269 -10.410 -3.580 1.00 1.00 O ATOM 545 ND2 ASN A 235 -6.568 -9.943 -2.197 1.00 1.00 N ATOM 0 H ASN A 235 -10.586 -8.883 0.300 1.00 1.00 H new ATOM 0 HA ASN A 235 -10.539 -10.432 -2.185 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -9.131 -8.367 -1.833 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -8.280 -9.204 -0.550 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -5.881 -10.329 -2.845 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -6.265 -9.552 -1.305 1.00 1.00 H new ATOM 552 N GLY A 236 -9.658 -11.544 0.749 1.00 1.00 N ATOM 553 CA GLY A 236 -9.249 -12.725 1.485 1.00 1.00 C ATOM 554 C GLY A 236 -7.744 -12.786 1.635 1.00 1.00 C ATOM 555 O GLY A 236 -7.222 -12.902 2.745 1.00 1.00 O ATOM 0 H GLY A 236 -9.964 -10.763 1.329 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -9.715 -12.721 2.470 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -9.602 -13.618 0.969 1.00 1.00 H new ATOM 559 N GLN A 237 -7.049 -12.692 0.510 1.00 1.00 N ATOM 560 CA GLN A 237 -5.596 -12.716 0.487 1.00 1.00 C ATOM 561 C GLN A 237 -5.044 -11.302 0.632 1.00 1.00 C ATOM 562 O GLN A 237 -5.801 -10.325 0.692 1.00 1.00 O ATOM 563 CB GLN A 237 -5.092 -13.329 -0.823 1.00 1.00 C ATOM 564 CG GLN A 237 -5.459 -14.793 -1.004 1.00 1.00 C ATOM 565 CD GLN A 237 -5.071 -15.318 -2.371 1.00 1.00 C ATOM 566 OE1 GLN A 237 -5.855 -15.265 -3.318 1.00 1.00 O ATOM 567 NE2 GLN A 237 -3.855 -15.829 -2.484 1.00 1.00 N ATOM 0 H GLN A 237 -7.477 -12.597 -0.411 1.00 1.00 H new ATOM 0 HA GLN A 237 -5.250 -13.326 1.322 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -5.497 -12.758 -1.658 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -4.007 -13.229 -0.865 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -4.965 -15.387 -0.235 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -6.532 -14.917 -0.861 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -3.235 -15.854 -1.674 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -3.538 -16.197 -3.381 1.00 1.00 H new ATOM 576 N ASN A 238 -3.727 -11.198 0.681 1.00 1.00 N ATOM 577 CA ASN A 238 -3.070 -9.909 0.807 1.00 1.00 C ATOM 578 C ASN A 238 -2.940 -9.255 -0.560 1.00 1.00 C ATOM 579 O ASN A 238 -2.573 -9.959 -1.522 1.00 1.00 O ATOM 580 CB ASN A 238 -1.690 -10.064 1.446 1.00 1.00 C ATOM 581 CG ASN A 238 -1.059 -8.732 1.804 1.00 1.00 C ATOM 582 OD1 ASN A 238 -1.753 -7.764 2.130 1.00 1.00 O ATOM 583 ND2 ASN A 238 0.261 -8.679 1.754 1.00 1.00 N ATOM 0 H ASN A 238 -3.090 -11.994 0.635 1.00 1.00 H new ATOM 0 HA ASN A 238 -3.678 -9.274 1.451 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -1.777 -10.674 2.345 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -1.034 -10.600 0.760 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.746 -7.813 1.990 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.794 -9.504 1.479 1.00 1.00 H new ATOM 591 N GLY B 1 25.216 -3.443 10.324 1.00 1.00 N ATOM 592 CA GLY B 1 24.093 -3.907 9.473 1.00 1.00 C ATOM 593 C GLY B 1 24.324 -3.607 8.010 1.00 1.00 C ATOM 594 O GLY B 1 24.560 -4.522 7.216 1.00 1.00 O ATOM 0 H1 GLY B 1 25.014 -3.670 11.319 1.00 1.00 H new ATOM 0 H2 GLY B 1 26.093 -3.919 10.031 1.00 1.00 H new ATOM 0 H3 GLY B 1 25.329 -2.414 10.219 1.00 1.00 H new ATOM 0 HA2 GLY B 1 23.959 -4.981 9.605 1.00 1.00 H new ATOM 0 HA3 GLY B 1 23.170 -3.428 9.799 1.00 1.00 H new ATOM 600 N SER B 2 24.253 -2.320 7.662 1.00 1.00 N ATOM 601 CA SER B 2 24.460 -1.844 6.291 1.00 1.00 C ATOM 602 C SER B 2 23.314 -2.260 5.362 1.00 1.00 C ATOM 603 O SER B 2 22.573 -1.411 4.865 1.00 1.00 O ATOM 604 CB SER B 2 25.807 -2.338 5.746 1.00 1.00 C ATOM 605 OG SER B 2 26.852 -2.087 6.674 1.00 1.00 O ATOM 0 H SER B 2 24.049 -1.574 8.327 1.00 1.00 H new ATOM 0 HA SER B 2 24.473 -0.755 6.322 1.00 1.00 H new ATOM 0 HB2 SER B 2 25.750 -3.406 5.537 1.00 1.00 H new ATOM 0 HB3 SER B 2 26.026 -1.840 4.802 1.00 1.00 H new ATOM 0 HG SER B 2 27.701 -2.411 6.307 1.00 1.00 H new ATOM 611 N LEU B 3 23.168 -3.557 5.139 1.00 1.00 N ATOM 612 CA LEU B 3 22.122 -4.073 4.272 1.00 1.00 C ATOM 613 C LEU B 3 21.054 -4.782 5.094 1.00 1.00 C ATOM 614 O LEU B 3 20.988 -4.605 6.314 1.00 1.00 O ATOM 615 CB LEU B 3 22.714 -5.034 3.236 1.00 1.00 C ATOM 616 CG LEU B 3 23.594 -4.385 2.164 1.00 1.00 C ATOM 617 CD1 LEU B 3 24.078 -5.430 1.169 1.00 1.00 C ATOM 618 CD2 LEU B 3 22.835 -3.273 1.451 1.00 1.00 C ATOM 0 H LEU B 3 23.765 -4.275 5.550 1.00 1.00 H new ATOM 0 HA LEU B 3 21.662 -3.235 3.749 1.00 1.00 H new ATOM 0 HB2 LEU B 3 23.304 -5.787 3.759 1.00 1.00 H new ATOM 0 HB3 LEU B 3 21.896 -5.557 2.742 1.00 1.00 H new ATOM 0 HG LEU B 3 24.465 -3.946 2.651 1.00 1.00 H new ATOM 0 HD11 LEU B 3 24.702 -4.952 0.414 1.00 1.00 H new ATOM 0 HD12 LEU B 3 24.659 -6.189 1.692 1.00 1.00 H new ATOM 0 HD13 LEU B 3 23.220 -5.898 0.687 1.00 1.00 H new ATOM 0 HD21 LEU B 3 23.476 -2.823 0.693 1.00 1.00 H new ATOM 0 HD22 LEU B 3 21.946 -3.686 0.976 1.00 1.00 H new ATOM 0 HD23 LEU B 3 22.540 -2.513 2.174 1.00 1.00 H new ATOM 630 N LEU B 4 20.219 -5.571 4.412 1.00 1.00 N ATOM 631 CA LEU B 4 19.130 -6.335 5.039 1.00 1.00 C ATOM 632 C LEU B 4 17.975 -5.427 5.447 1.00 1.00 C ATOM 633 O LEU B 4 16.823 -5.676 5.088 1.00 1.00 O ATOM 634 CB LEU B 4 19.611 -7.148 6.252 1.00 1.00 C ATOM 635 CG LEU B 4 20.213 -8.520 5.935 1.00 1.00 C ATOM 636 CD1 LEU B 4 19.343 -9.276 4.941 1.00 1.00 C ATOM 637 CD2 LEU B 4 21.626 -8.376 5.405 1.00 1.00 C ATOM 0 H LEU B 4 20.278 -5.700 3.402 1.00 1.00 H new ATOM 0 HA LEU B 4 18.776 -7.037 4.284 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.356 -6.560 6.788 1.00 1.00 H new ATOM 0 HB3 LEU B 4 18.768 -7.289 6.929 1.00 1.00 H new ATOM 0 HG LEU B 4 20.251 -9.095 6.860 1.00 1.00 H new ATOM 0 HD11 LEU B 4 19.791 -10.247 4.731 1.00 1.00 H new ATOM 0 HD12 LEU B 4 18.348 -9.418 5.363 1.00 1.00 H new ATOM 0 HD13 LEU B 4 19.266 -8.704 4.016 1.00 1.00 H new ATOM 0 HD21 LEU B 4 22.035 -9.362 5.186 1.00 1.00 H new ATOM 0 HD22 LEU B 4 21.614 -7.778 4.494 1.00 1.00 H new ATOM 0 HD23 LEU B 4 22.247 -7.884 6.153 1.00 1.00 H new ATOM 649 N LYS B 5 18.280 -4.380 6.196 1.00 1.00 N ATOM 650 CA LYS B 5 17.262 -3.444 6.646 1.00 1.00 C ATOM 651 C LYS B 5 16.945 -2.418 5.561 1.00 1.00 C ATOM 652 O LYS B 5 17.849 -1.829 4.969 1.00 1.00 O ATOM 653 CB LYS B 5 17.717 -2.728 7.918 1.00 1.00 C ATOM 654 CG LYS B 5 17.756 -3.628 9.145 1.00 1.00 C ATOM 655 CD LYS B 5 17.794 -2.815 10.431 1.00 1.00 C ATOM 656 CE LYS B 5 16.547 -1.958 10.587 1.00 1.00 C ATOM 657 NZ LYS B 5 16.639 -1.054 11.763 1.00 1.00 N ATOM 0 H LYS B 5 19.226 -4.156 6.506 1.00 1.00 H new ATOM 0 HA LYS B 5 16.358 -4.013 6.862 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.710 -2.309 7.754 1.00 1.00 H new ATOM 0 HB3 LYS B 5 17.046 -1.891 8.113 1.00 1.00 H new ATOM 0 HG2 LYS B 5 16.881 -4.277 9.149 1.00 1.00 H new ATOM 0 HG3 LYS B 5 18.632 -4.275 9.096 1.00 1.00 H new ATOM 0 HD2 LYS B 5 17.884 -3.487 11.285 1.00 1.00 H new ATOM 0 HD3 LYS B 5 18.678 -2.177 10.433 1.00 1.00 H new ATOM 0 HE2 LYS B 5 16.399 -1.365 9.684 1.00 1.00 H new ATOM 0 HE3 LYS B 5 15.674 -2.603 10.692 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 15.770 -0.487 11.834 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 16.755 -1.620 12.628 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 17.457 -0.421 11.651 1.00 1.00 H new ATOM 671 N PRO B 6 15.653 -2.203 5.279 1.00 1.00 N ATOM 672 CA PRO B 6 15.218 -1.238 4.270 1.00 1.00 C ATOM 673 C PRO B 6 15.409 0.201 4.746 1.00 1.00 C ATOM 674 O PRO B 6 14.899 0.594 5.798 1.00 1.00 O ATOM 675 CB PRO B 6 13.734 -1.558 4.084 1.00 1.00 C ATOM 676 CG PRO B 6 13.308 -2.180 5.369 1.00 1.00 C ATOM 677 CD PRO B 6 14.517 -2.889 5.922 1.00 1.00 C ATOM 0 HA PRO B 6 15.793 -1.314 3.347 1.00 1.00 H new ATOM 0 HB2 PRO B 6 13.160 -0.656 3.873 1.00 1.00 H new ATOM 0 HB3 PRO B 6 13.579 -2.238 3.246 1.00 1.00 H new ATOM 0 HG2 PRO B 6 12.949 -1.423 6.066 1.00 1.00 H new ATOM 0 HG3 PRO B 6 12.488 -2.880 5.208 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.565 -2.810 7.008 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.503 -3.952 5.680 1.00 1.00 H new ATOM 685 N ALA B 7 16.154 0.980 3.977 1.00 1.00 N ATOM 686 CA ALA B 7 16.418 2.368 4.330 1.00 1.00 C ATOM 687 C ALA B 7 15.686 3.328 3.401 1.00 1.00 C ATOM 688 O ALA B 7 15.842 4.547 3.500 1.00 1.00 O ATOM 689 CB ALA B 7 17.915 2.644 4.302 1.00 1.00 C ATOM 0 H ALA B 7 16.587 0.676 3.105 1.00 1.00 H new ATOM 0 HA ALA B 7 16.045 2.532 5.341 1.00 1.00 H new ATOM 0 HB1 ALA B 7 18.098 3.685 4.568 1.00 1.00 H new ATOM 0 HB2 ALA B 7 18.418 1.993 5.017 1.00 1.00 H new ATOM 0 HB3 ALA B 7 18.302 2.452 3.301 1.00 1.00 H new ATOM 695 N ARG B 8 14.888 2.785 2.493 1.00 1.00 N ATOM 696 CA ARG B 8 14.146 3.613 1.555 1.00 1.00 C ATOM 697 C ARG B 8 12.652 3.325 1.632 1.00 1.00 C ATOM 698 O ARG B 8 12.233 2.179 1.805 1.00 1.00 O ATOM 699 CB ARG B 8 14.653 3.396 0.125 1.00 1.00 C ATOM 700 CG ARG B 8 16.091 3.850 -0.090 1.00 1.00 C ATOM 701 CD ARG B 8 16.286 5.299 0.330 1.00 1.00 C ATOM 702 NE ARG B 8 17.684 5.713 0.237 1.00 1.00 N ATOM 703 CZ ARG B 8 18.408 6.142 1.269 1.00 1.00 C ATOM 704 NH1 ARG B 8 17.888 6.162 2.490 1.00 1.00 N ATOM 705 NH2 ARG B 8 19.662 6.531 1.077 1.00 1.00 N ATOM 0 H ARG B 8 14.739 1.782 2.386 1.00 1.00 H new ATOM 0 HA ARG B 8 14.308 4.655 1.830 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.575 2.337 -0.122 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.004 3.934 -0.567 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.765 3.211 0.481 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.357 3.736 -1.141 1.00 1.00 H new ATOM 0 HD2 ARG B 8 15.674 5.944 -0.300 1.00 1.00 H new ATOM 0 HD3 ARG B 8 15.937 5.430 1.354 1.00 1.00 H new ATOM 0 HE ARG B 8 18.134 5.671 -0.677 1.00 1.00 H new ATOM 0 HH11 ARG B 8 16.929 5.848 2.641 1.00 1.00 H new ATOM 0 HH12 ARG B 8 18.447 6.492 3.277 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.068 6.501 0.142 1.00 1.00 H new ATOM 0 HH22 ARG B 8 20.220 6.860 1.865 1.00 1.00 H new ATOM 719 N PHE B 9 11.859 4.378 1.511 1.00 1.00 N ATOM 720 CA PHE B 9 10.407 4.260 1.557 1.00 1.00 C ATOM 721 C PHE B 9 9.795 4.762 0.255 1.00 1.00 C ATOM 722 O PHE B 9 8.580 4.909 0.135 1.00 1.00 O ATOM 723 CB PHE B 9 9.840 5.038 2.752 1.00 1.00 C ATOM 724 CG PHE B 9 10.422 6.413 2.920 1.00 1.00 C ATOM 725 CD1 PHE B 9 9.929 7.484 2.192 1.00 1.00 C ATOM 726 CD2 PHE B 9 11.460 6.633 3.810 1.00 1.00 C ATOM 727 CE1 PHE B 9 10.462 8.749 2.350 1.00 1.00 C ATOM 728 CE2 PHE B 9 11.994 7.894 3.972 1.00 1.00 C ATOM 729 CZ PHE B 9 11.496 8.954 3.241 1.00 1.00 C ATOM 0 H PHE B 9 12.198 5.331 1.379 1.00 1.00 H new ATOM 0 HA PHE B 9 10.149 3.208 1.680 1.00 1.00 H new ATOM 0 HB2 PHE B 9 8.760 5.124 2.636 1.00 1.00 H new ATOM 0 HB3 PHE B 9 10.019 4.466 3.662 1.00 1.00 H new ATOM 0 HD1 PHE B 9 9.120 7.328 1.494 1.00 1.00 H new ATOM 0 HD2 PHE B 9 11.856 5.808 4.384 1.00 1.00 H new ATOM 0 HE1 PHE B 9 10.070 9.576 1.777 1.00 1.00 H new ATOM 0 HE2 PHE B 9 12.802 8.052 4.671 1.00 1.00 H new ATOM 0 HZ PHE B 9 11.915 9.942 3.366 1.00 1.00 H new ATOM 739 N MET B 10 10.650 5.014 -0.721 1.00 1.00 N ATOM 740 CA MET B 10 10.209 5.499 -2.016 1.00 1.00 C ATOM 741 C MET B 10 10.908 4.735 -3.125 1.00 1.00 C ATOM 742 O MET B 10 12.121 4.850 -3.296 1.00 1.00 O ATOM 743 CB MET B 10 10.493 6.997 -2.156 1.00 1.00 C ATOM 744 CG MET B 10 10.102 7.564 -3.512 1.00 1.00 C ATOM 745 SD MET B 10 10.583 9.292 -3.708 1.00 1.00 S ATOM 746 CE MET B 10 9.790 9.685 -5.267 1.00 1.00 C ATOM 0 H MET B 10 11.659 4.890 -0.640 1.00 1.00 H new ATOM 0 HA MET B 10 9.134 5.340 -2.095 1.00 1.00 H new ATOM 0 HB2 MET B 10 9.954 7.535 -1.377 1.00 1.00 H new ATOM 0 HB3 MET B 10 11.555 7.175 -1.989 1.00 1.00 H new ATOM 0 HG2 MET B 10 10.568 6.970 -4.298 1.00 1.00 H new ATOM 0 HG3 MET B 10 9.023 7.474 -3.642 1.00 1.00 H new ATOM 0 HE1 MET B 10 10.453 10.311 -5.865 1.00 1.00 H new ATOM 0 HE2 MET B 10 9.575 8.764 -5.808 1.00 1.00 H new ATOM 0 HE3 MET B 10 8.859 10.220 -5.077 1.00 1.00 H new ATOM 756 N CYS B 11 10.147 3.938 -3.851 1.00 1.00 N ATOM 757 CA CYS B 11 10.693 3.165 -4.944 1.00 1.00 C ATOM 758 C CYS B 11 10.909 4.044 -6.167 1.00 1.00 C ATOM 759 O CYS B 11 10.044 4.845 -6.534 1.00 1.00 O ATOM 760 CB CYS B 11 9.757 2.015 -5.277 1.00 1.00 C ATOM 761 SG CYS B 11 8.887 1.349 -3.823 1.00 1.00 S ATOM 0 H CYS B 11 9.146 3.811 -3.701 1.00 1.00 H new ATOM 0 HA CYS B 11 11.659 2.761 -4.641 1.00 1.00 H new ATOM 0 HB2 CYS B 11 9.022 2.354 -6.007 1.00 1.00 H new ATOM 0 HB3 CYS B 11 10.329 1.215 -5.747 1.00 1.00 H new ATOM 0 HG CYS B 11 9.479 0.263 -3.423 1.00 1.00 H new ATOM 766 N LEU B 12 12.070 3.886 -6.779 1.00 1.00 N ATOM 767 CA LEU B 12 12.431 4.647 -7.966 1.00 1.00 C ATOM 768 C LEU B 12 11.507 4.323 -9.153 1.00 1.00 C ATOM 769 O LEU B 12 10.970 5.241 -9.778 1.00 1.00 O ATOM 770 CB LEU B 12 13.895 4.382 -8.335 1.00 1.00 C ATOM 771 CG LEU B 12 14.880 4.467 -7.165 1.00 1.00 C ATOM 772 CD1 LEU B 12 16.194 3.792 -7.523 1.00 1.00 C ATOM 773 CD2 LEU B 12 15.112 5.918 -6.766 1.00 1.00 C ATOM 0 H LEU B 12 12.787 3.230 -6.470 1.00 1.00 H new ATOM 0 HA LEU B 12 12.307 5.705 -7.736 1.00 1.00 H new ATOM 0 HB2 LEU B 12 13.968 3.390 -8.781 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.198 5.099 -9.099 1.00 1.00 H new ATOM 0 HG LEU B 12 14.448 3.943 -6.313 1.00 1.00 H new ATOM 0 HD11 LEU B 12 16.881 3.863 -6.680 1.00 1.00 H new ATOM 0 HD12 LEU B 12 16.012 2.743 -7.756 1.00 1.00 H new ATOM 0 HD13 LEU B 12 16.632 4.286 -8.390 1.00 1.00 H new ATOM 0 HD21 LEU B 12 15.814 5.959 -5.933 1.00 1.00 H new ATOM 0 HD22 LEU B 12 15.522 6.467 -7.614 1.00 1.00 H new ATOM 0 HD23 LEU B 12 14.166 6.368 -6.465 1.00 1.00 H new ATOM 785 N PRO B 13 11.298 3.023 -9.488 1.00 1.00 N ATOM 786 CA PRO B 13 10.427 2.632 -10.604 1.00 1.00 C ATOM 787 C PRO B 13 8.984 3.105 -10.423 1.00 1.00 C ATOM 788 O PRO B 13 8.343 3.532 -11.383 1.00 1.00 O ATOM 789 CB PRO B 13 10.485 1.101 -10.598 1.00 1.00 C ATOM 790 CG PRO B 13 11.732 0.763 -9.865 1.00 1.00 C ATOM 791 CD PRO B 13 11.898 1.839 -8.837 1.00 1.00 C ATOM 0 HA PRO B 13 10.759 3.082 -11.540 1.00 1.00 H new ATOM 0 HB2 PRO B 13 9.611 0.675 -10.105 1.00 1.00 H new ATOM 0 HB3 PRO B 13 10.504 0.703 -11.613 1.00 1.00 H new ATOM 0 HG2 PRO B 13 11.658 -0.219 -9.397 1.00 1.00 H new ATOM 0 HG3 PRO B 13 12.587 0.730 -10.540 1.00 1.00 H new ATOM 0 HD2 PRO B 13 11.388 1.589 -7.907 1.00 1.00 H new ATOM 0 HD3 PRO B 13 12.947 2.003 -8.591 1.00 1.00 H new ATOM 799 N CYS B 14 8.478 3.021 -9.196 1.00 1.00 N ATOM 800 CA CYS B 14 7.118 3.444 -8.903 1.00 1.00 C ATOM 801 C CYS B 14 6.999 4.963 -8.967 1.00 1.00 C ATOM 802 O CYS B 14 6.246 5.505 -9.774 1.00 1.00 O ATOM 803 CB CYS B 14 6.707 2.947 -7.519 1.00 1.00 C ATOM 804 SG CYS B 14 7.396 1.315 -7.093 1.00 1.00 S ATOM 0 H CYS B 14 8.992 2.663 -8.391 1.00 1.00 H new ATOM 0 HA CYS B 14 6.453 3.015 -9.653 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.027 3.673 -6.772 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.619 2.897 -7.469 1.00 1.00 H new ATOM 0 HG CYS B 14 6.442 0.432 -7.076 1.00 1.00 H new ATOM 809 N GLY B 15 7.753 5.643 -8.115 1.00 1.00 N ATOM 810 CA GLY B 15 7.715 7.093 -8.084 1.00 1.00 C ATOM 811 C GLY B 15 6.828 7.614 -6.973 1.00 1.00 C ATOM 812 O GLY B 15 6.844 8.804 -6.656 1.00 1.00 O ATOM 0 H GLY B 15 8.392 5.217 -7.443 1.00 1.00 H new ATOM 0 HA2 GLY B 15 8.726 7.479 -7.952 1.00 1.00 H new ATOM 0 HA3 GLY B 15 7.353 7.467 -9.042 1.00 1.00 H new ATOM 816 N ILE B 16 6.051 6.717 -6.381 1.00 1.00 N ATOM 817 CA ILE B 16 5.149 7.077 -5.297 1.00 1.00 C ATOM 818 C ILE B 16 5.907 7.108 -3.978 1.00 1.00 C ATOM 819 O ILE B 16 6.276 6.059 -3.446 1.00 1.00 O ATOM 820 CB ILE B 16 3.961 6.085 -5.174 1.00 1.00 C ATOM 821 CG1 ILE B 16 3.094 6.094 -6.435 1.00 1.00 C ATOM 822 CG2 ILE B 16 3.097 6.417 -3.965 1.00 1.00 C ATOM 823 CD1 ILE B 16 3.602 5.191 -7.539 1.00 1.00 C ATOM 0 H ILE B 16 6.028 5.730 -6.636 1.00 1.00 H new ATOM 0 HA ILE B 16 4.747 8.064 -5.526 1.00 1.00 H new ATOM 0 HB ILE B 16 4.387 5.089 -5.048 1.00 1.00 H new ATOM 0 HG12 ILE B 16 2.081 5.791 -6.169 1.00 1.00 H new ATOM 0 HG13 ILE B 16 3.032 7.114 -6.814 1.00 1.00 H new ATOM 0 HG21 ILE B 16 2.272 5.707 -3.902 1.00 1.00 H new ATOM 0 HG22 ILE B 16 3.700 6.355 -3.059 1.00 1.00 H new ATOM 0 HG23 ILE B 16 2.700 7.427 -4.068 1.00 1.00 H new ATOM 0 HD11 ILE B 16 2.933 5.254 -8.397 1.00 1.00 H new ATOM 0 HD12 ILE B 16 4.603 5.506 -7.835 1.00 1.00 H new ATOM 0 HD13 ILE B 16 3.637 4.162 -7.181 1.00 1.00 H new ATOM 835 N ALA B 17 6.165 8.305 -3.471 1.00 1.00 N ATOM 836 CA ALA B 17 6.866 8.456 -2.206 1.00 1.00 C ATOM 837 C ALA B 17 5.932 8.132 -1.055 1.00 1.00 C ATOM 838 O ALA B 17 5.077 8.941 -0.688 1.00 1.00 O ATOM 839 CB ALA B 17 7.416 9.864 -2.060 1.00 1.00 C ATOM 0 H ALA B 17 5.900 9.184 -3.916 1.00 1.00 H new ATOM 0 HA ALA B 17 7.705 7.760 -2.189 1.00 1.00 H new ATOM 0 HB1 ALA B 17 7.936 9.954 -1.107 1.00 1.00 H new ATOM 0 HB2 ALA B 17 8.111 10.069 -2.874 1.00 1.00 H new ATOM 0 HB3 ALA B 17 6.595 10.581 -2.095 1.00 1.00 H new ATOM 845 N PHE B 18 6.089 6.948 -0.493 1.00 1.00 N ATOM 846 CA PHE B 18 5.240 6.520 0.599 1.00 1.00 C ATOM 847 C PHE B 18 5.664 7.165 1.911 1.00 1.00 C ATOM 848 O PHE B 18 6.837 7.473 2.119 1.00 1.00 O ATOM 849 CB PHE B 18 5.255 4.999 0.723 1.00 1.00 C ATOM 850 CG PHE B 18 3.881 4.418 0.850 1.00 1.00 C ATOM 851 CD1 PHE B 18 2.973 4.521 -0.192 1.00 1.00 C ATOM 852 CD2 PHE B 18 3.488 3.786 2.015 1.00 1.00 C ATOM 853 CE1 PHE B 18 1.702 4.001 -0.073 1.00 1.00 C ATOM 854 CE2 PHE B 18 2.216 3.265 2.141 1.00 1.00 C ATOM 855 CZ PHE B 18 1.323 3.374 1.095 1.00 1.00 C ATOM 0 H PHE B 18 6.795 6.268 -0.775 1.00 1.00 H new ATOM 0 HA PHE B 18 4.222 6.843 0.379 1.00 1.00 H new ATOM 0 HB2 PHE B 18 5.747 4.572 -0.151 1.00 1.00 H new ATOM 0 HB3 PHE B 18 5.847 4.715 1.593 1.00 1.00 H new ATOM 0 HD1 PHE B 18 3.265 5.014 -1.107 1.00 1.00 H new ATOM 0 HD2 PHE B 18 4.184 3.699 2.836 1.00 1.00 H new ATOM 0 HE1 PHE B 18 1.004 4.085 -0.893 1.00 1.00 H new ATOM 0 HE2 PHE B 18 1.921 2.773 3.056 1.00 1.00 H new ATOM 0 HZ PHE B 18 0.327 2.968 1.191 1.00 1.00 H new ATOM 865 N SER B 19 4.696 7.374 2.785 1.00 1.00 N ATOM 866 CA SER B 19 4.943 7.982 4.077 1.00 1.00 C ATOM 867 C SER B 19 4.690 6.977 5.195 1.00 1.00 C ATOM 868 O SER B 19 5.403 6.964 6.198 1.00 1.00 O ATOM 869 CB SER B 19 4.052 9.210 4.247 1.00 1.00 C ATOM 870 OG SER B 19 4.065 10.001 3.071 1.00 1.00 O ATOM 0 H SER B 19 3.720 7.128 2.619 1.00 1.00 H new ATOM 0 HA SER B 19 5.986 8.293 4.130 1.00 1.00 H new ATOM 0 HB2 SER B 19 3.032 8.898 4.471 1.00 1.00 H new ATOM 0 HB3 SER B 19 4.397 9.802 5.094 1.00 1.00 H new ATOM 0 HG SER B 19 3.488 10.783 3.196 1.00 1.00 H new ATOM 876 N SER B 20 3.688 6.128 5.002 1.00 1.00 N ATOM 877 CA SER B 20 3.334 5.109 5.985 1.00 1.00 C ATOM 878 C SER B 20 4.240 3.882 5.840 1.00 1.00 C ATOM 879 O SER B 20 4.077 3.085 4.917 1.00 1.00 O ATOM 880 CB SER B 20 1.868 4.703 5.806 1.00 1.00 C ATOM 881 OG SER B 20 1.046 5.836 5.580 1.00 1.00 O ATOM 0 H SER B 20 3.102 6.125 4.167 1.00 1.00 H new ATOM 0 HA SER B 20 3.473 5.524 6.983 1.00 1.00 H new ATOM 0 HB2 SER B 20 1.779 4.013 4.967 1.00 1.00 H new ATOM 0 HB3 SER B 20 1.524 4.172 6.694 1.00 1.00 H new ATOM 0 HG SER B 20 0.862 5.921 4.621 1.00 1.00 H new ATOM 887 N PRO B 21 5.196 3.696 6.764 1.00 1.00 N ATOM 888 CA PRO B 21 6.128 2.565 6.706 1.00 1.00 C ATOM 889 C PRO B 21 5.452 1.237 7.028 1.00 1.00 C ATOM 890 O PRO B 21 5.919 0.170 6.625 1.00 1.00 O ATOM 891 CB PRO B 21 7.171 2.911 7.769 1.00 1.00 C ATOM 892 CG PRO B 21 6.459 3.793 8.739 1.00 1.00 C ATOM 893 CD PRO B 21 5.438 4.560 7.939 1.00 1.00 C ATOM 0 HA PRO B 21 6.546 2.432 5.708 1.00 1.00 H new ATOM 0 HB2 PRO B 21 7.549 2.013 8.257 1.00 1.00 H new ATOM 0 HB3 PRO B 21 8.029 3.420 7.329 1.00 1.00 H new ATOM 0 HG2 PRO B 21 5.979 3.204 9.521 1.00 1.00 H new ATOM 0 HG3 PRO B 21 7.156 4.471 9.233 1.00 1.00 H new ATOM 0 HD2 PRO B 21 4.524 4.726 8.509 1.00 1.00 H new ATOM 0 HD3 PRO B 21 5.813 5.540 7.645 1.00 1.00 H new ATOM 901 N SER B 22 4.335 1.322 7.736 1.00 1.00 N ATOM 902 CA SER B 22 3.577 0.153 8.139 1.00 1.00 C ATOM 903 C SER B 22 2.843 -0.485 6.960 1.00 1.00 C ATOM 904 O SER B 22 2.562 -1.685 6.971 1.00 1.00 O ATOM 905 CB SER B 22 2.576 0.566 9.210 1.00 1.00 C ATOM 906 OG SER B 22 2.782 1.918 9.596 1.00 1.00 O ATOM 0 H SER B 22 3.931 2.206 8.046 1.00 1.00 H new ATOM 0 HA SER B 22 4.271 -0.591 8.530 1.00 1.00 H new ATOM 0 HB2 SER B 22 1.561 0.441 8.833 1.00 1.00 H new ATOM 0 HB3 SER B 22 2.676 -0.085 10.079 1.00 1.00 H new ATOM 0 HG SER B 22 2.129 2.165 10.283 1.00 1.00 H new ATOM 912 N THR B 23 2.530 0.311 5.944 1.00 1.00 N ATOM 913 CA THR B 23 1.820 -0.202 4.784 1.00 1.00 C ATOM 914 C THR B 23 2.737 -0.335 3.571 1.00 1.00 C ATOM 915 O THR B 23 2.282 -0.655 2.472 1.00 1.00 O ATOM 916 CB THR B 23 0.618 0.688 4.428 1.00 1.00 C ATOM 917 OG1 THR B 23 0.221 1.450 5.576 1.00 1.00 O ATOM 918 CG2 THR B 23 -0.551 -0.162 3.952 1.00 1.00 C ATOM 0 H THR B 23 2.755 1.305 5.902 1.00 1.00 H new ATOM 0 HA THR B 23 1.459 -1.195 5.052 1.00 1.00 H new ATOM 0 HB THR B 23 0.912 1.364 3.625 1.00 1.00 H new ATOM 0 HG1 THR B 23 -0.306 2.224 5.288 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.393 0.484 3.704 1.00 1.00 H new ATOM 0 HG22 THR B 23 -0.254 -0.726 3.068 1.00 1.00 H new ATOM 0 HG23 THR B 23 -0.844 -0.853 4.742 1.00 1.00 H new ATOM 926 N LEU B 24 4.030 -0.112 3.778 1.00 1.00 N ATOM 927 CA LEU B 24 5.003 -0.221 2.694 1.00 1.00 C ATOM 928 C LEU B 24 4.986 -1.629 2.115 1.00 1.00 C ATOM 929 O LEU B 24 5.183 -1.824 0.916 1.00 1.00 O ATOM 930 CB LEU B 24 6.404 0.125 3.194 1.00 1.00 C ATOM 931 CG LEU B 24 6.904 1.517 2.812 1.00 1.00 C ATOM 932 CD1 LEU B 24 8.210 1.830 3.525 1.00 1.00 C ATOM 933 CD2 LEU B 24 7.075 1.627 1.302 1.00 1.00 C ATOM 0 H LEU B 24 4.429 0.144 4.681 1.00 1.00 H new ATOM 0 HA LEU B 24 4.730 0.487 1.911 1.00 1.00 H new ATOM 0 HB2 LEU B 24 6.417 0.037 4.280 1.00 1.00 H new ATOM 0 HB3 LEU B 24 7.104 -0.615 2.806 1.00 1.00 H new ATOM 0 HG LEU B 24 6.160 2.249 3.126 1.00 1.00 H new ATOM 0 HD11 LEU B 24 8.550 2.826 3.240 1.00 1.00 H new ATOM 0 HD12 LEU B 24 8.054 1.795 4.603 1.00 1.00 H new ATOM 0 HD13 LEU B 24 8.964 1.095 3.243 1.00 1.00 H new ATOM 0 HD21 LEU B 24 7.432 2.625 1.048 1.00 1.00 H new ATOM 0 HD22 LEU B 24 7.799 0.886 0.963 1.00 1.00 H new ATOM 0 HD23 LEU B 24 6.117 1.449 0.813 1.00 1.00 H new ATOM 945 N GLU B 25 4.721 -2.600 2.985 1.00 1.00 N ATOM 946 CA GLU B 25 4.654 -4.002 2.594 1.00 1.00 C ATOM 947 C GLU B 25 3.578 -4.214 1.523 1.00 1.00 C ATOM 948 O GLU B 25 3.799 -4.924 0.543 1.00 1.00 O ATOM 949 CB GLU B 25 4.370 -4.865 3.833 1.00 1.00 C ATOM 950 CG GLU B 25 4.078 -6.326 3.534 1.00 1.00 C ATOM 951 CD GLU B 25 2.595 -6.625 3.516 1.00 1.00 C ATOM 952 OE1 GLU B 25 2.001 -6.773 4.602 1.00 1.00 O ATOM 953 OE2 GLU B 25 2.017 -6.701 2.416 1.00 1.00 O ATOM 0 H GLU B 25 4.548 -2.436 3.977 1.00 1.00 H new ATOM 0 HA GLU B 25 5.611 -4.300 2.166 1.00 1.00 H new ATOM 0 HB2 GLU B 25 5.228 -4.809 4.503 1.00 1.00 H new ATOM 0 HB3 GLU B 25 3.520 -4.441 4.368 1.00 1.00 H new ATOM 0 HG2 GLU B 25 4.511 -6.590 2.569 1.00 1.00 H new ATOM 0 HG3 GLU B 25 4.563 -6.952 4.283 1.00 1.00 H new ATOM 960 N ALA B 26 2.430 -3.571 1.706 1.00 1.00 N ATOM 961 CA ALA B 26 1.320 -3.692 0.764 1.00 1.00 C ATOM 962 C ALA B 26 1.645 -2.992 -0.549 1.00 1.00 C ATOM 963 O ALA B 26 1.246 -3.441 -1.622 1.00 1.00 O ATOM 964 CB ALA B 26 0.049 -3.127 1.376 1.00 1.00 C ATOM 0 H ALA B 26 2.242 -2.959 2.500 1.00 1.00 H new ATOM 0 HA ALA B 26 1.162 -4.749 0.550 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -0.771 -3.223 0.665 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.193 -3.678 2.285 1.00 1.00 H new ATOM 0 HB3 ALA B 26 0.198 -2.075 1.618 1.00 1.00 H new ATOM 970 N HIS B 27 2.362 -1.880 -0.455 1.00 1.00 N ATOM 971 CA HIS B 27 2.763 -1.132 -1.641 1.00 1.00 C ATOM 972 C HIS B 27 3.690 -1.996 -2.495 1.00 1.00 C ATOM 973 O HIS B 27 3.562 -2.045 -3.722 1.00 1.00 O ATOM 974 CB HIS B 27 3.460 0.181 -1.238 1.00 1.00 C ATOM 975 CG HIS B 27 4.061 0.944 -2.389 1.00 1.00 C ATOM 976 ND1 HIS B 27 5.170 0.673 -3.125 1.00 1.00 N flip ATOM 977 CD2 HIS B 27 3.539 2.112 -2.910 1.00 1.00 C flip ATOM 978 CE1 HIS B 27 5.335 1.655 -4.089 1.00 1.00 C flip ATOM 979 NE2 HIS B 27 4.331 2.497 -3.925 1.00 1.00 N flip ATOM 0 H HIS B 27 2.677 -1.476 0.427 1.00 1.00 H new ATOM 0 HA HIS B 27 1.878 -0.877 -2.224 1.00 1.00 H new ATOM 0 HB2 HIS B 27 2.738 0.821 -0.731 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.246 -0.045 -0.518 1.00 1.00 H new ATOM 0 HD1 HIS B 27 5.786 -0.129 -2.989 1.00 1.00 H new ATOM 0 HD2 HIS B 27 2.653 2.624 -2.564 1.00 1.00 H new ATOM 0 HE1 HIS B 27 6.124 1.719 -4.824 1.00 1.00 H new ATOM 987 N GLN B 28 4.595 -2.701 -1.824 1.00 1.00 N ATOM 988 CA GLN B 28 5.561 -3.572 -2.489 1.00 1.00 C ATOM 989 C GLN B 28 4.935 -4.913 -2.859 1.00 1.00 C ATOM 990 O GLN B 28 5.635 -5.907 -3.054 1.00 1.00 O ATOM 991 CB GLN B 28 6.772 -3.795 -1.583 1.00 1.00 C ATOM 992 CG GLN B 28 7.505 -2.512 -1.237 1.00 1.00 C ATOM 993 CD GLN B 28 8.962 -2.548 -1.642 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.836 -2.878 -0.839 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.230 -2.222 -2.892 1.00 1.00 N ATOM 0 H GLN B 28 4.680 -2.686 -0.808 1.00 1.00 H new ATOM 0 HA GLN B 28 5.880 -3.082 -3.409 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.445 -4.278 -0.662 1.00 1.00 H new ATOM 0 HB3 GLN B 28 7.464 -4.480 -2.074 1.00 1.00 H new ATOM 0 HG2 GLN B 28 7.015 -1.673 -1.731 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.434 -2.335 -0.164 1.00 1.00 H new ATOM 0 HE21 GLN B 28 8.474 -1.955 -3.523 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.193 -2.237 -3.228 1.00 1.00 H new ATOM 1004 N ALA B 29 3.614 -4.941 -2.920 1.00 1.00 N ATOM 1005 CA ALA B 29 2.889 -6.146 -3.279 1.00 1.00 C ATOM 1006 C ALA B 29 1.943 -5.870 -4.439 1.00 1.00 C ATOM 1007 O ALA B 29 1.365 -6.793 -5.019 1.00 1.00 O ATOM 1008 CB ALA B 29 2.114 -6.671 -2.079 1.00 1.00 C ATOM 0 H ALA B 29 3.019 -4.136 -2.724 1.00 1.00 H new ATOM 0 HA ALA B 29 3.607 -6.904 -3.590 1.00 1.00 H new ATOM 0 HB1 ALA B 29 1.575 -7.575 -2.361 1.00 1.00 H new ATOM 0 HB2 ALA B 29 2.808 -6.900 -1.270 1.00 1.00 H new ATOM 0 HB3 ALA B 29 1.404 -5.914 -1.745 1.00 1.00 H new ATOM 1014 N TYR B 30 1.795 -4.595 -4.780 1.00 1.00 N ATOM 1015 CA TYR B 30 0.903 -4.193 -5.857 1.00 1.00 C ATOM 1016 C TYR B 30 1.592 -3.270 -6.855 1.00 1.00 C ATOM 1017 O TYR B 30 1.421 -3.423 -8.066 1.00 1.00 O ATOM 1018 CB TYR B 30 -0.338 -3.511 -5.283 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.322 -4.477 -4.668 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -2.306 -5.072 -5.443 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -1.269 -4.791 -3.316 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -3.211 -5.956 -4.889 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -2.170 -5.674 -2.753 1.00 1.00 C ATOM 1024 CZ TYR B 30 -3.141 -6.253 -3.543 1.00 1.00 C ATOM 1025 OH TYR B 30 -4.046 -7.134 -2.990 1.00 1.00 O ATOM 0 H TYR B 30 2.282 -3.823 -4.325 1.00 1.00 H new ATOM 0 HA TYR B 30 0.609 -5.095 -6.393 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.030 -2.788 -4.528 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -0.836 -2.952 -6.075 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -2.366 -4.841 -6.496 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -0.511 -4.337 -2.695 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -3.970 -6.413 -5.506 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -2.114 -5.910 -1.700 1.00 1.00 H new ATOM 0 HH TYR B 30 -4.321 -6.809 -2.107 1.00 1.00 H new ATOM 1035 N TYR B 31 2.361 -2.307 -6.361 1.00 1.00 N ATOM 1036 CA TYR B 31 3.052 -1.376 -7.246 1.00 1.00 C ATOM 1037 C TYR B 31 4.379 -1.957 -7.713 1.00 1.00 C ATOM 1038 O TYR B 31 4.597 -2.118 -8.916 1.00 1.00 O ATOM 1039 CB TYR B 31 3.257 -0.018 -6.572 1.00 1.00 C ATOM 1040 CG TYR B 31 2.301 1.039 -7.078 1.00 1.00 C ATOM 1041 CD1 TYR B 31 2.400 1.520 -8.377 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.292 1.543 -6.269 1.00 1.00 C ATOM 1043 CE1 TYR B 31 1.528 2.477 -8.855 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.412 2.501 -6.741 1.00 1.00 C ATOM 1045 CZ TYR B 31 0.533 2.962 -8.036 1.00 1.00 C ATOM 1046 OH TYR B 31 -0.339 3.914 -8.513 1.00 1.00 O ATOM 0 H TYR B 31 2.521 -2.151 -5.366 1.00 1.00 H new ATOM 0 HA TYR B 31 2.423 -1.219 -8.122 1.00 1.00 H new ATOM 0 HB2 TYR B 31 3.131 -0.130 -5.495 1.00 1.00 H new ATOM 0 HB3 TYR B 31 4.281 0.315 -6.740 1.00 1.00 H new ATOM 0 HD1 TYR B 31 3.174 1.138 -9.026 1.00 1.00 H new ATOM 0 HD2 TYR B 31 1.192 1.182 -5.256 1.00 1.00 H new ATOM 0 HE1 TYR B 31 1.626 2.844 -9.866 1.00 1.00 H new ATOM 0 HE2 TYR B 31 -0.366 2.886 -6.099 1.00 1.00 H new ATOM 0 HH TYR B 31 -0.505 4.583 -7.817 1.00 1.00 H new ATOM 1056 N CYS B 32 5.258 -2.281 -6.774 1.00 1.00 N ATOM 1057 CA CYS B 32 6.541 -2.872 -7.114 1.00 1.00 C ATOM 1058 C CYS B 32 6.351 -4.365 -7.382 1.00 1.00 C ATOM 1059 O CYS B 32 6.786 -5.210 -6.595 1.00 1.00 O ATOM 1060 CB CYS B 32 7.533 -2.647 -5.976 1.00 1.00 C ATOM 1061 SG CYS B 32 7.034 -1.324 -4.822 1.00 1.00 S ATOM 0 H CYS B 32 5.105 -2.144 -5.775 1.00 1.00 H new ATOM 0 HA CYS B 32 6.940 -2.400 -8.012 1.00 1.00 H new ATOM 0 HB2 CYS B 32 7.652 -3.577 -5.420 1.00 1.00 H new ATOM 0 HB3 CYS B 32 8.507 -2.401 -6.398 1.00 1.00 H new ATOM 0 HG CYS B 32 8.018 -0.488 -4.668 1.00 1.00 H new ATOM 1066 N SER B 33 5.675 -4.661 -8.494 1.00 1.00 N ATOM 1067 CA SER B 33 5.364 -6.027 -8.897 1.00 1.00 C ATOM 1068 C SER B 33 4.323 -6.625 -7.948 1.00 1.00 C ATOM 1069 O SER B 33 3.747 -5.913 -7.126 1.00 1.00 O ATOM 1070 CB SER B 33 6.632 -6.887 -8.945 1.00 1.00 C ATOM 1071 OG SER B 33 7.545 -6.385 -9.905 1.00 1.00 O ATOM 0 H SER B 33 5.328 -3.953 -9.141 1.00 1.00 H new ATOM 0 HA SER B 33 4.945 -6.010 -9.903 1.00 1.00 H new ATOM 0 HB2 SER B 33 7.103 -6.903 -7.962 1.00 1.00 H new ATOM 0 HB3 SER B 33 6.370 -7.916 -9.190 1.00 1.00 H new ATOM 0 HG SER B 33 8.348 -6.947 -9.918 1.00 1.00 H new ATOM 1077 N HIS B 34 4.049 -7.914 -8.076 1.00 1.00 N ATOM 1078 CA HIS B 34 3.079 -8.560 -7.203 1.00 1.00 C ATOM 1079 C HIS B 34 3.788 -9.401 -6.157 1.00 1.00 C ATOM 1080 O HIS B 34 4.802 -10.040 -6.445 1.00 1.00 O ATOM 1081 CB HIS B 34 2.107 -9.429 -8.001 1.00 1.00 C ATOM 1082 CG HIS B 34 0.950 -8.667 -8.562 1.00 1.00 C ATOM 1083 ND1 HIS B 34 0.612 -8.692 -9.896 1.00 1.00 N ATOM 1084 CD2 HIS B 34 0.041 -7.859 -7.962 1.00 1.00 C ATOM 1085 CE1 HIS B 34 -0.450 -7.937 -10.094 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -0.814 -7.420 -8.939 1.00 1.00 N ATOM 0 H HIS B 34 4.479 -8.528 -8.768 1.00 1.00 H new ATOM 0 HA HIS B 34 2.506 -7.778 -6.705 1.00 1.00 H new ATOM 0 HB2 HIS B 34 2.647 -9.908 -8.818 1.00 1.00 H new ATOM 0 HB3 HIS B 34 1.731 -10.224 -7.358 1.00 1.00 H new ATOM 0 HD2 HIS B 34 -0.001 -7.609 -6.912 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -0.939 -7.771 -11.043 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -1.606 -6.793 -8.795 1.00 1.00 H new