USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 484 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 67 CYS SG : rot -103:sc= -8.05! USER MOD Set 1.2: A 72 MET CE :methyl 135:sc= -2.06 (180deg=-2.3) USER MOD Set 2.1: A 59 CYS SG : rot 180:sc= 0.00874 USER MOD Set 2.2: A 62 CYS SG : rot 136:sc= 0.00891 USER MOD Set 3.1: A 34 SER OG : rot 92:sc= -3.74! USER MOD Set 3.2: A 41 TYR OH : rot 30:sc= -0.714 USER MOD Set 4.1: A 19 TYR OH : rot -101:sc= 0.903 USER MOD Set 4.2: A 28 LYS NZ :NH3+ 160:sc= -0.0483 (180deg=-0.541) USER MOD Set 5.1: A 15 SER OG : rot 137:sc= -1.49 USER MOD Set 5.2: A 18 HIS :FLIP no HD1:sc= -2.91 F(o=-5.9!,f=-4.4) USER MOD Set 6.1: A 7 CYS SG : rot 85:sc= -11.8! USER MOD Set 6.2: A 10 CYS SG : rot 57:sc= -1.32! USER MOD Set 6.3: A 24 CYS SG : rot 50:sc= -1.07 USER MOD Set 6.4: A 27 CYS SG : rot -140:sc= -1.9 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -96:sc= 0.886 USER MOD Single : A 23 SER OG : rot 100:sc= -0.824 USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -3.14 (180deg=-4.9!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.016) USER MOD Single : A 39 ASN :FLIP amide:sc= -14.8! C(o=-16!,f=-15!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc=-0.00717 (180deg=-0.679) USER MOD Single : A 54 ASN :FLIP amide:sc= -2.88! C(o=-11!,f=-2.9!) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= -0.0566 (180deg=-0.413) USER MOD Single : A 58 SER OG : rot 180:sc= -0.579 USER MOD Single : A 60 GLN : amide:sc= -0.815 X(o=-0.81,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -178:sc= -5.79! USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -147:sc= -1.16 (180deg=-2.84!) USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -8.276 -12.087 -13.765 1.00 0.00 N ATOM 72 CA ARG A 5 -7.607 -10.816 -13.391 1.00 0.00 C ATOM 73 C ARG A 5 -7.009 -10.994 -12.025 1.00 0.00 C ATOM 74 O ARG A 5 -7.165 -12.034 -11.418 1.00 0.00 O ATOM 75 CB ARG A 5 -8.650 -9.691 -13.375 1.00 0.00 C ATOM 76 CG ARG A 5 -9.540 -9.820 -14.630 1.00 0.00 C ATOM 77 CD ARG A 5 -8.658 -9.915 -15.886 1.00 0.00 C ATOM 78 NE ARG A 5 -7.572 -8.895 -15.804 1.00 0.00 N ATOM 79 CZ ARG A 5 -6.928 -8.559 -16.890 1.00 0.00 C ATOM 80 NH1 ARG A 5 -7.609 -8.310 -17.974 1.00 0.00 N ATOM 81 NH2 ARG A 5 -5.626 -8.485 -16.853 1.00 0.00 N ATOM 0 HA ARG A 5 -6.825 -10.558 -14.105 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.258 -9.753 -12.473 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.157 -8.719 -13.360 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.171 -10.705 -14.550 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.205 -8.960 -14.706 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.229 -10.914 -15.969 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.260 -9.751 -16.780 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.335 -8.465 -14.910 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.627 -8.379 -17.964 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.124 -8.046 -18.832 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.128 -8.688 -15.986 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.106 -8.224 -17.691 1.00 0.00 H new ATOM 95 N TYR A 6 -6.340 -10.000 -11.541 1.00 0.00 N ATOM 96 CA TYR A 6 -5.722 -10.142 -10.185 1.00 0.00 C ATOM 97 C TYR A 6 -5.599 -8.797 -9.475 1.00 0.00 C ATOM 98 O TYR A 6 -6.042 -7.791 -9.984 1.00 0.00 O ATOM 99 CB TYR A 6 -4.310 -10.745 -10.394 1.00 0.00 C ATOM 100 CG TYR A 6 -4.352 -11.767 -11.548 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.763 -13.072 -11.328 1.00 0.00 C ATOM 102 CD2 TYR A 6 -3.974 -11.397 -12.823 1.00 0.00 C ATOM 103 CE1 TYR A 6 -4.788 -13.982 -12.366 1.00 0.00 C ATOM 104 CE2 TYR A 6 -3.999 -12.311 -13.856 1.00 0.00 C ATOM 105 CZ TYR A 6 -4.404 -13.609 -13.634 1.00 0.00 C ATOM 106 OH TYR A 6 -4.417 -14.521 -14.668 1.00 0.00 O ATOM 0 H TYR A 6 -6.189 -9.105 -12.007 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.350 -10.778 -9.561 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.595 -9.954 -10.621 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.970 -11.229 -9.478 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.066 -13.379 -10.338 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.656 -10.383 -13.014 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.112 -14.996 -12.181 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.698 -12.006 -14.848 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.117 -14.085 -15.493 1.00 0.00 H new ATOM 116 N CYS A 7 -4.993 -8.808 -8.295 1.00 0.00 N ATOM 117 CA CYS A 7 -4.834 -7.544 -7.543 1.00 0.00 C ATOM 118 C CYS A 7 -4.189 -6.511 -8.455 1.00 0.00 C ATOM 119 O CYS A 7 -2.982 -6.372 -8.506 1.00 0.00 O ATOM 120 CB CYS A 7 -3.948 -7.846 -6.316 1.00 0.00 C ATOM 121 SG CYS A 7 -2.973 -6.552 -5.601 1.00 0.00 S ATOM 0 H CYS A 7 -4.612 -9.638 -7.841 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.791 -7.145 -7.207 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.598 -8.235 -5.532 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.268 -8.651 -6.595 1.00 0.00 H new ATOM 0 HG CYS A 7 -3.701 -5.871 -4.766 1.00 0.00 H new ATOM 126 N ALA A 8 -5.031 -5.802 -9.159 1.00 0.00 N ATOM 127 CA ALA A 8 -4.543 -4.761 -10.098 1.00 0.00 C ATOM 128 C ALA A 8 -3.494 -3.862 -9.472 1.00 0.00 C ATOM 129 O ALA A 8 -2.764 -3.196 -10.174 1.00 0.00 O ATOM 130 CB ALA A 8 -5.757 -3.881 -10.509 1.00 0.00 C ATOM 0 H ALA A 8 -6.045 -5.904 -9.120 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.086 -5.261 -10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.427 -3.106 -11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.510 -4.503 -10.994 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.187 -3.417 -9.621 1.00 0.00 H new ATOM 136 N VAL A 9 -3.395 -3.880 -8.167 1.00 0.00 N ATOM 137 CA VAL A 9 -2.374 -2.996 -7.506 1.00 0.00 C ATOM 138 C VAL A 9 -1.115 -3.664 -7.040 1.00 0.00 C ATOM 139 O VAL A 9 -0.031 -3.241 -7.390 1.00 0.00 O ATOM 140 CB VAL A 9 -2.977 -2.400 -6.206 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.013 -1.293 -5.668 1.00 0.00 C ATOM 142 CG2 VAL A 9 -4.353 -1.792 -6.475 1.00 0.00 C ATOM 0 H VAL A 9 -3.960 -4.452 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.123 -2.280 -8.288 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.092 -3.195 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.425 -0.865 -4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.038 -1.731 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.904 -0.510 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.756 -1.380 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.261 -0.998 -7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.024 -2.564 -6.852 1.00 0.00 H new ATOM 152 N CYS A 10 -1.244 -4.701 -6.261 1.00 0.00 N ATOM 153 CA CYS A 10 0.003 -5.343 -5.776 1.00 0.00 C ATOM 154 C CYS A 10 -0.086 -6.759 -5.087 1.00 0.00 C ATOM 155 O CYS A 10 0.375 -6.891 -3.970 1.00 0.00 O ATOM 156 CB CYS A 10 0.343 -4.352 -4.677 1.00 0.00 C ATOM 157 SG CYS A 10 -1.033 -3.950 -3.541 1.00 0.00 S ATOM 0 H CYS A 10 -2.122 -5.117 -5.950 1.00 0.00 H new ATOM 0 HA CYS A 10 0.677 -5.531 -6.612 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.171 -4.752 -4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.695 -3.429 -5.138 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.480 -5.043 -2.997 1.00 0.00 H new ATOM 162 N ASN A 11 -0.652 -7.784 -5.709 1.00 0.00 N ATOM 163 CA ASN A 11 -0.685 -9.095 -4.980 1.00 0.00 C ATOM 164 C ASN A 11 -1.002 -10.271 -5.907 1.00 0.00 C ATOM 165 O ASN A 11 -0.112 -10.851 -6.497 1.00 0.00 O ATOM 166 CB ASN A 11 -1.748 -9.017 -3.866 1.00 0.00 C ATOM 167 CG ASN A 11 -1.729 -10.313 -3.054 1.00 0.00 C ATOM 168 OD1 ASN A 11 -0.687 -10.797 -2.660 1.00 0.00 O ATOM 169 ND2 ASN A 11 -2.860 -10.905 -2.783 1.00 0.00 N ATOM 0 H ASN A 11 -1.070 -7.769 -6.639 1.00 0.00 H new ATOM 0 HA ASN A 11 0.306 -9.272 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.548 -8.165 -3.216 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.735 -8.862 -4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.866 -11.770 -2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.738 -10.503 -3.112 1.00 0.00 H new ATOM 176 N ASP A 12 -2.258 -10.597 -6.023 1.00 0.00 N ATOM 177 CA ASP A 12 -2.647 -11.732 -6.903 1.00 0.00 C ATOM 178 C ASP A 12 -4.159 -11.820 -7.011 1.00 0.00 C ATOM 179 O ASP A 12 -4.842 -10.850 -6.771 1.00 0.00 O ATOM 180 CB ASP A 12 -2.107 -13.039 -6.292 1.00 0.00 C ATOM 181 CG ASP A 12 -1.968 -14.099 -7.390 1.00 0.00 C ATOM 182 OD1 ASP A 12 -2.500 -13.844 -8.459 1.00 0.00 O ATOM 183 OD2 ASP A 12 -1.337 -15.103 -7.098 1.00 0.00 O ATOM 0 H ASP A 12 -3.030 -10.128 -5.548 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.230 -11.576 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.141 -12.860 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.781 -13.394 -5.513 1.00 0.00 H new ATOM 188 N TYR A 13 -4.662 -12.995 -7.357 1.00 0.00 N ATOM 189 CA TYR A 13 -6.147 -13.156 -7.488 1.00 0.00 C ATOM 190 C TYR A 13 -6.903 -12.295 -6.486 1.00 0.00 C ATOM 191 O TYR A 13 -6.990 -12.606 -5.316 1.00 0.00 O ATOM 192 CB TYR A 13 -6.534 -14.608 -7.255 1.00 0.00 C ATOM 193 CG TYR A 13 -5.609 -15.540 -8.054 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.890 -15.870 -9.375 1.00 0.00 C ATOM 195 CD2 TYR A 13 -4.500 -16.098 -7.451 1.00 0.00 C ATOM 196 CE1 TYR A 13 -5.075 -16.747 -10.064 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.689 -16.971 -8.145 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.969 -17.302 -9.455 1.00 0.00 C ATOM 199 OH TYR A 13 -3.157 -18.178 -10.145 1.00 0.00 O ATOM 0 H TYR A 13 -4.113 -13.833 -7.550 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.415 -12.840 -8.496 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.469 -14.843 -6.193 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.570 -14.768 -7.554 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.750 -15.438 -9.865 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.265 -15.849 -6.427 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.306 -17.000 -11.088 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.826 -17.400 -7.658 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.424 -18.471 -9.564 1.00 0.00 H new ATOM 209 N ALA A 14 -7.427 -11.230 -6.984 1.00 0.00 N ATOM 210 CA ALA A 14 -8.190 -10.296 -6.122 1.00 0.00 C ATOM 211 C ALA A 14 -9.436 -10.976 -5.574 1.00 0.00 C ATOM 212 O ALA A 14 -10.046 -11.788 -6.239 1.00 0.00 O ATOM 213 CB ALA A 14 -8.603 -9.084 -6.992 1.00 0.00 C ATOM 0 H ALA A 14 -7.362 -10.957 -7.965 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.576 -9.980 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.168 -8.376 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.710 -8.596 -7.383 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.222 -9.426 -7.821 1.00 0.00 H new ATOM 219 N SER A 15 -9.793 -10.635 -4.371 1.00 0.00 N ATOM 220 CA SER A 15 -11.001 -11.261 -3.778 1.00 0.00 C ATOM 221 C SER A 15 -12.238 -10.942 -4.611 1.00 0.00 C ATOM 222 O SER A 15 -13.233 -11.634 -4.536 1.00 0.00 O ATOM 223 CB SER A 15 -11.194 -10.708 -2.355 1.00 0.00 C ATOM 224 OG SER A 15 -10.784 -9.354 -2.451 1.00 0.00 O ATOM 0 H SER A 15 -9.308 -9.960 -3.780 1.00 0.00 H new ATOM 0 HA SER A 15 -10.867 -12.342 -3.755 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.233 -10.788 -2.034 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.593 -11.256 -1.630 1.00 0.00 H new ATOM 0 HG SER A 15 -11.416 -8.785 -1.964 1.00 0.00 H new ATOM 230 N GLY A 16 -12.157 -9.894 -5.389 1.00 0.00 N ATOM 231 CA GLY A 16 -13.331 -9.519 -6.235 1.00 0.00 C ATOM 232 C GLY A 16 -13.319 -8.026 -6.553 1.00 0.00 C ATOM 233 O GLY A 16 -12.362 -7.331 -6.276 1.00 0.00 O ATOM 0 H GLY A 16 -11.341 -9.288 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.314 -10.092 -7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.255 -9.777 -5.717 1.00 0.00 H new ATOM 237 N TYR A 17 -14.394 -7.569 -7.130 1.00 0.00 N ATOM 238 CA TYR A 17 -14.493 -6.129 -7.486 1.00 0.00 C ATOM 239 C TYR A 17 -14.857 -5.297 -6.247 1.00 0.00 C ATOM 240 O TYR A 17 -15.730 -5.664 -5.486 1.00 0.00 O ATOM 241 CB TYR A 17 -15.617 -5.989 -8.575 1.00 0.00 C ATOM 242 CG TYR A 17 -15.063 -5.322 -9.852 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.904 -5.788 -10.453 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.729 -4.258 -10.428 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.429 -5.197 -11.606 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.250 -3.671 -11.581 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.098 -4.138 -12.179 1.00 0.00 C ATOM 248 OH TYR A 17 -13.632 -3.565 -13.344 1.00 0.00 O ATOM 0 H TYR A 17 -15.210 -8.132 -7.371 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.539 -5.765 -7.866 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -16.019 -6.973 -8.818 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.442 -5.397 -8.179 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.370 -6.619 -10.016 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.633 -3.882 -9.972 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.524 -5.568 -12.064 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.781 -2.839 -12.019 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.085 -2.781 -13.127 1.00 0.00 H new ATOM 258 N HIS A 18 -14.178 -4.187 -6.077 1.00 0.00 N ATOM 259 CA HIS A 18 -14.460 -3.307 -4.899 1.00 0.00 C ATOM 260 C HIS A 18 -14.437 -1.842 -5.313 1.00 0.00 C ATOM 261 O HIS A 18 -15.326 -1.081 -4.987 1.00 0.00 O ATOM 262 CB HIS A 18 -13.354 -3.530 -3.840 1.00 0.00 C ATOM 263 CG HIS A 18 -13.045 -5.023 -3.721 1.00 0.00 C ATOM 264 ND1 HIS A 18 -13.894 -6.083 -3.464 1.00 0.00 N flip ATOM 265 CD2 HIS A 18 -11.907 -5.529 -3.842 1.00 0.00 C flip ATOM 266 CE1 HIS A 18 -13.173 -7.237 -3.446 1.00 0.00 C flip ATOM 267 NE2 HIS A 18 -11.941 -6.788 -3.691 1.00 0.00 N flip ATOM 0 H HIS A 18 -13.443 -3.854 -6.701 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.443 -3.554 -4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.453 -2.984 -4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.677 -3.138 -2.876 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.009 -4.965 -4.049 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.509 -8.249 -3.278 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.119 -7.389 -3.750 1.00 0.00 H new ATOM 275 N TYR A 19 -13.409 -1.480 -6.030 1.00 0.00 N ATOM 276 CA TYR A 19 -13.278 -0.072 -6.492 1.00 0.00 C ATOM 277 C TYR A 19 -13.839 0.062 -7.887 1.00 0.00 C ATOM 278 O TYR A 19 -14.418 1.066 -8.254 1.00 0.00 O ATOM 279 CB TYR A 19 -11.777 0.235 -6.581 1.00 0.00 C ATOM 280 CG TYR A 19 -11.198 0.266 -5.187 1.00 0.00 C ATOM 281 CD1 TYR A 19 -11.326 1.363 -4.418 1.00 0.00 C ATOM 282 CD2 TYR A 19 -10.676 -0.870 -4.649 1.00 0.00 C ATOM 283 CE1 TYR A 19 -10.976 1.335 -3.099 1.00 0.00 C ATOM 284 CE2 TYR A 19 -10.319 -0.917 -3.331 1.00 0.00 C ATOM 285 CZ TYR A 19 -10.468 0.187 -2.537 1.00 0.00 C ATOM 286 OH TYR A 19 -10.114 0.150 -1.204 1.00 0.00 O ATOM 0 H TYR A 19 -12.653 -2.102 -6.316 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.804 0.596 -5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.273 -0.522 -7.181 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.617 1.193 -7.076 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.710 2.276 -4.849 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.543 -1.743 -5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.099 2.220 -2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.918 -1.829 -2.914 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.142 0.239 -1.121 1.00 0.00 H new ATOM 296 N GLY A 20 -13.641 -0.972 -8.625 1.00 0.00 N ATOM 297 CA GLY A 20 -14.112 -1.031 -10.027 1.00 0.00 C ATOM 298 C GLY A 20 -13.055 -1.806 -10.780 1.00 0.00 C ATOM 299 O GLY A 20 -12.971 -1.774 -11.989 1.00 0.00 O ATOM 0 H GLY A 20 -13.156 -1.812 -8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.082 -1.524 -10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.234 -0.030 -10.442 1.00 0.00 H new ATOM 303 N VAL A 21 -12.249 -2.484 -9.998 1.00 0.00 N ATOM 304 CA VAL A 21 -11.150 -3.303 -10.548 1.00 0.00 C ATOM 305 C VAL A 21 -10.958 -4.541 -9.699 1.00 0.00 C ATOM 306 O VAL A 21 -11.291 -4.556 -8.530 1.00 0.00 O ATOM 307 CB VAL A 21 -9.817 -2.460 -10.465 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.630 -1.582 -11.744 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.877 -1.554 -9.214 1.00 0.00 C ATOM 0 H VAL A 21 -12.318 -2.497 -8.980 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.386 -3.584 -11.574 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.970 -3.142 -10.396 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.705 -1.011 -11.662 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.583 -2.225 -12.623 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.472 -0.896 -11.841 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.961 -0.967 -9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.733 -0.884 -9.291 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.979 -2.172 -8.322 1.00 0.00 H new ATOM 319 N TRP A 22 -10.433 -5.554 -10.296 1.00 0.00 N ATOM 320 CA TRP A 22 -10.209 -6.794 -9.527 1.00 0.00 C ATOM 321 C TRP A 22 -9.042 -6.517 -8.610 1.00 0.00 C ATOM 322 O TRP A 22 -7.933 -6.941 -8.856 1.00 0.00 O ATOM 323 CB TRP A 22 -9.857 -7.919 -10.512 1.00 0.00 C ATOM 324 CG TRP A 22 -10.985 -8.057 -11.526 1.00 0.00 C ATOM 325 CD1 TRP A 22 -10.956 -7.523 -12.724 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.106 -8.708 -11.318 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.138 -7.878 -13.262 1.00 0.00 N ATOM 328 CE2 TRP A 22 -12.932 -8.639 -12.425 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.519 -9.402 -10.196 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.163 -9.260 -12.409 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.753 -10.023 -10.184 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.573 -9.952 -11.289 1.00 0.00 C ATOM 0 H TRP A 22 -10.150 -5.582 -11.275 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.087 -7.094 -8.954 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -8.919 -7.696 -11.020 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.714 -8.858 -9.977 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.169 -6.936 -13.173 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.422 -7.609 -14.204 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.877 -9.459 -9.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.807 -9.204 -13.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.075 -10.565 -9.307 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.537 -10.438 -11.278 1.00 0.00 H new ATOM 343 N SER A 23 -9.323 -5.792 -7.548 1.00 0.00 N ATOM 344 CA SER A 23 -8.250 -5.441 -6.573 1.00 0.00 C ATOM 345 C SER A 23 -8.203 -6.347 -5.349 1.00 0.00 C ATOM 346 O SER A 23 -9.142 -7.024 -5.004 1.00 0.00 O ATOM 347 CB SER A 23 -8.486 -3.973 -6.109 1.00 0.00 C ATOM 348 OG SER A 23 -9.792 -3.658 -6.573 1.00 0.00 O ATOM 0 H SER A 23 -10.250 -5.432 -7.320 1.00 0.00 H new ATOM 0 HA SER A 23 -7.295 -5.569 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.418 -3.884 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.741 -3.299 -6.532 1.00 0.00 H new ATOM 0 HG SER A 23 -10.431 -3.743 -5.835 1.00 0.00 H new ATOM 354 N CYS A 24 -7.074 -6.294 -4.731 1.00 0.00 N ATOM 355 CA CYS A 24 -6.795 -7.082 -3.519 1.00 0.00 C ATOM 356 C CYS A 24 -7.816 -6.859 -2.382 1.00 0.00 C ATOM 357 O CYS A 24 -8.849 -6.246 -2.560 1.00 0.00 O ATOM 358 CB CYS A 24 -5.434 -6.547 -3.056 1.00 0.00 C ATOM 359 SG CYS A 24 -5.062 -4.818 -3.537 1.00 0.00 S ATOM 0 H CYS A 24 -6.295 -5.708 -5.032 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.833 -8.148 -3.742 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.384 -6.623 -1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.653 -7.193 -3.457 1.00 0.00 H new ATOM 0 HG CYS A 24 -6.064 -4.054 -3.218 1.00 0.00 H new ATOM 364 N GLU A 25 -7.453 -7.392 -1.218 1.00 0.00 N ATOM 365 CA GLU A 25 -8.310 -7.274 -0.004 1.00 0.00 C ATOM 366 C GLU A 25 -7.665 -6.300 0.972 1.00 0.00 C ATOM 367 O GLU A 25 -8.183 -5.236 1.239 1.00 0.00 O ATOM 368 CB GLU A 25 -8.374 -8.652 0.684 1.00 0.00 C ATOM 369 CG GLU A 25 -9.275 -9.585 -0.113 1.00 0.00 C ATOM 370 CD GLU A 25 -9.307 -10.952 0.576 1.00 0.00 C ATOM 371 OE1 GLU A 25 -8.390 -11.712 0.313 1.00 0.00 O ATOM 372 OE2 GLU A 25 -10.247 -11.159 1.326 1.00 0.00 O ATOM 0 H GLU A 25 -6.585 -7.907 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.304 -6.928 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.373 -9.077 0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.754 -8.544 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.282 -9.172 -0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.905 -9.686 -1.133 1.00 0.00 H new ATOM 379 N GLY A 26 -6.529 -6.700 1.489 1.00 0.00 N ATOM 380 CA GLY A 26 -5.803 -5.830 2.459 1.00 0.00 C ATOM 381 C GLY A 26 -5.216 -4.626 1.734 1.00 0.00 C ATOM 382 O GLY A 26 -5.555 -3.500 2.034 1.00 0.00 O ATOM 0 H GLY A 26 -6.076 -7.590 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.483 -5.498 3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.008 -6.396 2.945 1.00 0.00 H new ATOM 386 N CYS A 27 -4.335 -4.875 0.794 1.00 0.00 N ATOM 387 CA CYS A 27 -3.740 -3.734 0.061 1.00 0.00 C ATOM 388 C CYS A 27 -4.874 -2.833 -0.459 1.00 0.00 C ATOM 389 O CYS A 27 -4.682 -1.670 -0.726 1.00 0.00 O ATOM 390 CB CYS A 27 -2.870 -4.280 -1.127 1.00 0.00 C ATOM 391 SG CYS A 27 -2.793 -6.090 -1.445 1.00 0.00 S ATOM 0 H CYS A 27 -4.013 -5.801 0.513 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.098 -3.149 0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.230 -3.804 -2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.849 -3.934 -0.968 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.578 -6.423 -1.766 1.00 0.00 H new ATOM 396 N LYS A 28 -6.022 -3.411 -0.612 1.00 0.00 N ATOM 397 CA LYS A 28 -7.176 -2.621 -1.100 1.00 0.00 C ATOM 398 C LYS A 28 -7.510 -1.578 -0.030 1.00 0.00 C ATOM 399 O LYS A 28 -7.844 -0.449 -0.332 1.00 0.00 O ATOM 400 CB LYS A 28 -8.384 -3.625 -1.334 1.00 0.00 C ATOM 401 CG LYS A 28 -9.656 -3.226 -0.524 1.00 0.00 C ATOM 402 CD LYS A 28 -10.840 -4.065 -1.004 1.00 0.00 C ATOM 403 CE LYS A 28 -12.047 -3.786 -0.107 1.00 0.00 C ATOM 404 NZ LYS A 28 -12.310 -2.321 -0.028 1.00 0.00 N ATOM 0 H LYS A 28 -6.213 -4.395 -0.421 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.964 -2.106 -2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.628 -3.654 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.077 -4.631 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.489 -3.387 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.869 -2.165 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.077 -3.823 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.587 -5.125 -0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.925 -4.299 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.865 -4.183 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.289 -2.160 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.655 -1.887 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.169 -1.892 -0.965 1.00 0.00 H new ATOM 418 N ALA A 29 -7.409 -1.994 1.206 1.00 0.00 N ATOM 419 CA ALA A 29 -7.705 -1.066 2.320 1.00 0.00 C ATOM 420 C ALA A 29 -6.726 0.107 2.289 1.00 0.00 C ATOM 421 O ALA A 29 -7.108 1.248 2.463 1.00 0.00 O ATOM 422 CB ALA A 29 -7.564 -1.858 3.662 1.00 0.00 C ATOM 0 H ALA A 29 -7.134 -2.936 1.484 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.716 -0.669 2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.778 -1.195 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.268 -2.690 3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.548 -2.242 3.753 1.00 0.00 H new ATOM 428 N PHE A 30 -5.476 -0.202 2.067 1.00 0.00 N ATOM 429 CA PHE A 30 -4.450 0.871 2.015 1.00 0.00 C ATOM 430 C PHE A 30 -4.913 1.968 1.089 1.00 0.00 C ATOM 431 O PHE A 30 -4.855 3.138 1.409 1.00 0.00 O ATOM 432 CB PHE A 30 -3.138 0.250 1.464 1.00 0.00 C ATOM 433 CG PHE A 30 -2.143 1.360 1.028 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.283 2.021 -0.198 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.081 1.698 1.848 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.364 2.998 -0.576 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.177 2.667 1.462 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.319 3.313 0.258 1.00 0.00 C ATOM 0 H PHE A 30 -5.125 -1.149 1.920 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.288 1.291 3.008 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.678 -0.377 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.364 -0.396 0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.105 1.773 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.958 1.199 2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.473 3.506 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.648 2.919 2.111 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.393 4.071 -0.034 1.00 0.00 H new ATOM 448 N PHE A 31 -5.362 1.559 -0.040 1.00 0.00 N ATOM 449 CA PHE A 31 -5.850 2.542 -1.037 1.00 0.00 C ATOM 450 C PHE A 31 -7.002 3.385 -0.477 1.00 0.00 C ATOM 451 O PHE A 31 -7.087 4.567 -0.735 1.00 0.00 O ATOM 452 CB PHE A 31 -6.362 1.759 -2.264 1.00 0.00 C ATOM 453 CG PHE A 31 -6.872 2.747 -3.325 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.052 3.731 -3.807 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.186 2.706 -3.750 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.529 4.668 -4.678 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.682 3.638 -4.617 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.848 4.631 -5.095 1.00 0.00 C ATOM 0 H PHE A 31 -5.417 0.582 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.033 3.214 -1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.561 1.146 -2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.163 1.081 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.018 3.767 -3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.834 1.921 -3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.872 5.443 -5.044 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.716 3.599 -4.926 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.222 5.371 -5.787 1.00 0.00 H new ATOM 468 N LYS A 32 -7.849 2.760 0.299 1.00 0.00 N ATOM 469 CA LYS A 32 -9.009 3.499 0.889 1.00 0.00 C ATOM 470 C LYS A 32 -8.538 4.568 1.863 1.00 0.00 C ATOM 471 O LYS A 32 -9.086 5.651 1.918 1.00 0.00 O ATOM 472 CB LYS A 32 -9.906 2.448 1.647 1.00 0.00 C ATOM 473 CG LYS A 32 -11.356 2.512 1.136 1.00 0.00 C ATOM 474 CD LYS A 32 -12.016 3.787 1.663 1.00 0.00 C ATOM 475 CE LYS A 32 -13.496 3.795 1.257 1.00 0.00 C ATOM 476 NZ LYS A 32 -13.679 3.145 -0.073 1.00 0.00 N ATOM 0 H LYS A 32 -7.790 1.773 0.550 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.570 3.997 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.506 1.445 1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.882 2.646 2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.371 2.503 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.911 1.635 1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.924 3.836 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.511 4.665 1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.088 3.272 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.863 4.821 1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.607 3.406 -0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.930 3.463 -0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.627 2.112 0.035 1.00 0.00 H new ATOM 490 N ARG A 33 -7.538 4.245 2.607 1.00 0.00 N ATOM 491 CA ARG A 33 -7.009 5.223 3.588 1.00 0.00 C ATOM 492 C ARG A 33 -6.059 6.201 2.922 1.00 0.00 C ATOM 493 O ARG A 33 -5.691 7.206 3.499 1.00 0.00 O ATOM 494 CB ARG A 33 -6.221 4.435 4.634 1.00 0.00 C ATOM 495 CG ARG A 33 -5.841 5.359 5.793 1.00 0.00 C ATOM 496 CD ARG A 33 -5.296 4.515 6.948 1.00 0.00 C ATOM 497 NE ARG A 33 -5.091 5.390 8.136 1.00 0.00 N ATOM 498 CZ ARG A 33 -4.872 4.846 9.302 1.00 0.00 C ATOM 499 NH1 ARG A 33 -5.487 3.735 9.605 1.00 0.00 N ATOM 500 NH2 ARG A 33 -4.046 5.430 10.126 1.00 0.00 N ATOM 0 H ARG A 33 -7.058 3.345 2.584 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.836 5.782 4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.818 3.601 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.323 4.011 4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.092 6.081 5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.711 5.928 6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.993 3.712 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.355 4.046 6.660 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.121 6.405 8.039 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.126 3.307 8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.328 3.295 10.512 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.583 6.298 9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.863 5.019 11.041 1.00 0.00 H new ATOM 514 N SER A 34 -5.680 5.889 1.710 1.00 0.00 N ATOM 515 CA SER A 34 -4.736 6.787 0.962 1.00 0.00 C ATOM 516 C SER A 34 -5.362 7.524 -0.224 1.00 0.00 C ATOM 517 O SER A 34 -4.687 8.320 -0.845 1.00 0.00 O ATOM 518 CB SER A 34 -3.654 5.907 0.375 1.00 0.00 C ATOM 519 OG SER A 34 -2.884 6.809 -0.395 1.00 0.00 O ATOM 0 H SER A 34 -5.979 5.056 1.203 1.00 0.00 H new ATOM 0 HA SER A 34 -4.390 7.535 1.675 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.057 5.430 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.073 5.110 -0.239 1.00 0.00 H new ATOM 0 HG SER A 34 -2.156 7.169 0.154 1.00 0.00 H new ATOM 525 N ILE A 35 -6.599 7.249 -0.553 1.00 0.00 N ATOM 526 CA ILE A 35 -7.196 7.987 -1.733 1.00 0.00 C ATOM 527 C ILE A 35 -6.802 9.461 -1.741 1.00 0.00 C ATOM 528 O ILE A 35 -6.315 9.986 -0.765 1.00 0.00 O ATOM 529 CB ILE A 35 -8.750 7.888 -1.755 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.238 6.488 -1.329 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.229 8.152 -3.224 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.919 5.476 -2.433 1.00 0.00 C ATOM 0 H ILE A 35 -7.208 6.577 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.792 7.502 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.157 8.618 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.755 6.191 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.311 6.508 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.316 8.089 -3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.910 9.146 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.794 7.405 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.264 4.487 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.423 5.771 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.842 5.449 -2.602 1.00 0.00 H new ATOM 544 N GLN A 36 -7.042 10.085 -2.862 1.00 0.00 N ATOM 545 CA GLN A 36 -6.710 11.516 -3.030 1.00 0.00 C ATOM 546 C GLN A 36 -5.215 11.668 -3.133 1.00 0.00 C ATOM 547 O GLN A 36 -4.466 10.979 -2.468 1.00 0.00 O ATOM 548 CB GLN A 36 -7.221 12.360 -1.844 1.00 0.00 C ATOM 549 CG GLN A 36 -8.655 11.932 -1.474 1.00 0.00 C ATOM 550 CD GLN A 36 -9.352 13.072 -0.720 1.00 0.00 C ATOM 551 OE1 GLN A 36 -9.125 13.285 0.455 1.00 0.00 O ATOM 552 NE2 GLN A 36 -10.202 13.827 -1.360 1.00 0.00 N ATOM 0 H GLN A 36 -7.463 9.648 -3.682 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.197 11.873 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.562 12.233 -0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.204 13.418 -2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.215 11.682 -2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.630 11.035 -0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.397 13.653 -2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.672 14.591 -0.874 1.00 0.00 H new ATOM 561 N GLY A 37 -4.805 12.562 -3.953 1.00 0.00 N ATOM 562 CA GLY A 37 -3.347 12.777 -4.121 1.00 0.00 C ATOM 563 C GLY A 37 -2.757 13.345 -2.847 1.00 0.00 C ATOM 564 O GLY A 37 -1.903 12.744 -2.228 1.00 0.00 O ATOM 0 H GLY A 37 -5.406 13.160 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.858 11.835 -4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.165 13.459 -4.952 1.00 0.00 H new ATOM 568 N HIS A 38 -3.232 14.510 -2.501 1.00 0.00 N ATOM 569 CA HIS A 38 -2.748 15.207 -1.258 1.00 0.00 C ATOM 570 C HIS A 38 -2.336 14.216 -0.169 1.00 0.00 C ATOM 571 O HIS A 38 -3.164 13.688 0.546 1.00 0.00 O ATOM 572 CB HIS A 38 -3.895 16.075 -0.720 1.00 0.00 C ATOM 573 CG HIS A 38 -4.111 17.268 -1.655 1.00 0.00 C ATOM 574 ND1 HIS A 38 -3.526 18.367 -1.557 1.00 0.00 N ATOM 575 CD2 HIS A 38 -4.945 17.391 -2.751 1.00 0.00 C ATOM 576 CE1 HIS A 38 -3.894 19.172 -2.465 1.00 0.00 C ATOM 577 NE2 HIS A 38 -4.803 18.637 -3.281 1.00 0.00 N ATOM 0 H HIS A 38 -3.942 15.020 -3.027 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.874 15.804 -1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.809 15.485 -0.648 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.661 16.425 0.285 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.604 16.622 -3.127 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.514 20.178 -2.566 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.269 19.051 -4.088 1.00 0.00 H new ATOM 585 N ASN A 39 -1.055 13.995 -0.071 1.00 0.00 N ATOM 586 CA ASN A 39 -0.538 13.053 0.947 1.00 0.00 C ATOM 587 C ASN A 39 0.993 13.121 0.990 1.00 0.00 C ATOM 588 O ASN A 39 1.637 13.291 -0.027 1.00 0.00 O ATOM 589 CB ASN A 39 -0.986 11.640 0.548 1.00 0.00 C ATOM 590 CG ASN A 39 -0.332 11.241 -0.775 1.00 0.00 C ATOM 591 OD1 ASN A 39 -0.409 10.001 -1.168 1.00 0.00 O flip ATOM 592 ND2 ASN A 39 0.249 12.055 -1.465 1.00 0.00 N flip ATOM 0 H ASN A 39 -0.344 14.431 -0.658 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.922 13.310 1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.713 10.929 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.071 11.607 0.452 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.313 13.027 -1.163 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.673 11.766 -2.347 1.00 0.00 H new ATOM 599 N ASP A 40 1.549 12.998 2.165 1.00 0.00 N ATOM 600 CA ASP A 40 3.041 13.057 2.291 1.00 0.00 C ATOM 601 C ASP A 40 3.678 11.777 1.847 1.00 0.00 C ATOM 602 O ASP A 40 4.718 11.373 2.328 1.00 0.00 O ATOM 603 CB ASP A 40 3.367 13.247 3.737 1.00 0.00 C ATOM 604 CG ASP A 40 2.819 14.590 4.220 1.00 0.00 C ATOM 605 OD1 ASP A 40 3.543 15.560 4.061 1.00 0.00 O ATOM 606 OD2 ASP A 40 1.707 14.573 4.723 1.00 0.00 O ATOM 0 H ASP A 40 1.042 12.860 3.039 1.00 0.00 H new ATOM 0 HA ASP A 40 3.414 13.870 1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.938 12.436 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.446 13.211 3.884 1.00 0.00 H new ATOM 611 N TYR A 41 3.049 11.192 0.963 1.00 0.00 N ATOM 612 CA TYR A 41 3.537 9.907 0.407 1.00 0.00 C ATOM 613 C TYR A 41 4.803 10.109 -0.418 1.00 0.00 C ATOM 614 O TYR A 41 4.940 11.087 -1.126 1.00 0.00 O ATOM 615 CB TYR A 41 2.441 9.333 -0.519 1.00 0.00 C ATOM 616 CG TYR A 41 1.349 8.623 0.298 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.980 9.071 1.553 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.697 7.540 -0.240 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.022 8.455 2.251 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.320 6.899 0.462 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.684 7.361 1.723 1.00 0.00 C ATOM 622 OH TYR A 41 -1.675 6.738 2.445 1.00 0.00 O ATOM 0 H TYR A 41 2.176 11.530 0.557 1.00 0.00 H new ATOM 0 HA TYR A 41 3.761 9.231 1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 41 1.997 10.137 -1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.886 8.632 -1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.490 9.918 1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.977 7.182 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.300 8.827 3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.824 6.047 0.030 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.117 7.392 3.026 1.00 0.00 H new ATOM 632 N MET A 42 5.704 9.175 -0.311 1.00 0.00 N ATOM 633 CA MET A 42 6.964 9.285 -1.077 1.00 0.00 C ATOM 634 C MET A 42 7.774 7.989 -0.958 1.00 0.00 C ATOM 635 O MET A 42 7.798 7.360 0.081 1.00 0.00 O ATOM 636 CB MET A 42 7.790 10.512 -0.534 1.00 0.00 C ATOM 637 CG MET A 42 8.883 10.062 0.457 1.00 0.00 C ATOM 638 SD MET A 42 9.694 11.345 1.443 1.00 0.00 S ATOM 639 CE MET A 42 10.456 10.243 2.660 1.00 0.00 C ATOM 0 H MET A 42 5.619 8.344 0.274 1.00 0.00 H new ATOM 0 HA MET A 42 6.739 9.443 -2.132 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.250 11.041 -1.369 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.118 11.215 -0.042 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.439 9.341 1.143 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.652 9.534 -0.107 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.019 10.833 3.383 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.679 9.680 3.178 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.129 9.551 2.153 1.00 0.00 H new ATOM 752 N ILE A 51 5.941 -2.651 -7.445 1.00 0.00 N ATOM 753 CA ILE A 51 5.185 -2.847 -6.174 1.00 0.00 C ATOM 754 C ILE A 51 4.569 -4.263 -6.153 1.00 0.00 C ATOM 755 O ILE A 51 4.034 -4.724 -7.143 1.00 0.00 O ATOM 756 CB ILE A 51 4.074 -1.711 -6.102 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.413 -0.703 -4.985 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.670 -2.315 -5.816 1.00 0.00 C ATOM 759 CD1 ILE A 51 4.140 -1.316 -3.588 1.00 0.00 C ATOM 0 HA ILE A 51 5.834 -2.769 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 51 4.057 -1.208 -7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.460 -0.409 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.818 0.201 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.932 -1.514 -5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.404 -3.011 -6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.689 -2.844 -4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.386 -0.587 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.087 -1.586 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.754 -2.207 -3.455 1.00 0.00 H new ATOM 771 N ASP A 52 4.658 -4.919 -5.015 1.00 0.00 N ATOM 772 CA ASP A 52 4.088 -6.298 -4.906 1.00 0.00 C ATOM 773 C ASP A 52 3.646 -6.599 -3.470 1.00 0.00 C ATOM 774 O ASP A 52 2.513 -6.364 -3.108 1.00 0.00 O ATOM 775 CB ASP A 52 5.183 -7.303 -5.315 1.00 0.00 C ATOM 776 CG ASP A 52 6.523 -6.855 -4.728 1.00 0.00 C ATOM 777 OD1 ASP A 52 6.472 -6.030 -3.830 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.521 -7.364 -5.210 1.00 0.00 O ATOM 0 H ASP A 52 5.097 -4.560 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 52 3.217 -6.378 -5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.930 -8.300 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.250 -7.363 -6.401 1.00 0.00 H new ATOM 783 N LYS A 53 4.552 -7.122 -2.679 1.00 0.00 N ATOM 784 CA LYS A 53 4.195 -7.444 -1.267 1.00 0.00 C ATOM 785 C LYS A 53 3.403 -6.304 -0.634 1.00 0.00 C ATOM 786 O LYS A 53 3.306 -5.229 -1.193 1.00 0.00 O ATOM 787 CB LYS A 53 5.495 -7.641 -0.467 1.00 0.00 C ATOM 788 CG LYS A 53 6.338 -8.754 -1.118 1.00 0.00 C ATOM 789 CD LYS A 53 5.634 -10.118 -0.943 1.00 0.00 C ATOM 790 CE LYS A 53 6.665 -11.246 -1.083 1.00 0.00 C ATOM 791 NZ LYS A 53 7.654 -10.921 -2.148 1.00 0.00 N ATOM 0 H LYS A 53 5.512 -7.337 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 53 3.584 -8.347 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.062 -6.710 -0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.263 -7.903 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.480 -8.542 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.328 -8.785 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.154 -10.169 0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.849 -10.233 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.180 -11.396 -0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.159 -12.181 -1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.096 -11.798 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.171 -10.446 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.386 -10.292 -1.761 1.00 0.00 H new ATOM 805 N ASN A 54 2.847 -6.556 0.529 1.00 0.00 N ATOM 806 CA ASN A 54 2.058 -5.500 1.209 1.00 0.00 C ATOM 807 C ASN A 54 2.947 -4.697 2.144 1.00 0.00 C ATOM 808 O ASN A 54 3.558 -3.729 1.741 1.00 0.00 O ATOM 809 CB ASN A 54 0.945 -6.187 2.032 1.00 0.00 C ATOM 810 CG ASN A 54 1.505 -7.452 2.686 1.00 0.00 C ATOM 811 OD1 ASN A 54 2.797 -7.576 2.820 1.00 0.00 O flip ATOM 812 ND2 ASN A 54 0.773 -8.338 3.079 1.00 0.00 N flip ATOM 0 H ASN A 54 2.910 -7.444 1.027 1.00 0.00 H new ATOM 0 HA ASN A 54 1.631 -4.824 0.468 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.568 -5.506 2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.103 -6.440 1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.238 -8.247 2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.169 -9.173 3.511 1.00 0.00 H new ATOM 819 N ARG A 55 2.998 -5.119 3.378 1.00 0.00 N ATOM 820 CA ARG A 55 3.842 -4.405 4.391 1.00 0.00 C ATOM 821 C ARG A 55 3.301 -3.026 4.714 1.00 0.00 C ATOM 822 O ARG A 55 3.522 -2.500 5.786 1.00 0.00 O ATOM 823 CB ARG A 55 5.273 -4.259 3.823 1.00 0.00 C ATOM 824 CG ARG A 55 6.281 -4.111 4.989 1.00 0.00 C ATOM 825 CD ARG A 55 6.679 -5.501 5.520 1.00 0.00 C ATOM 826 NE ARG A 55 7.115 -5.370 6.940 1.00 0.00 N ATOM 827 CZ ARG A 55 8.018 -4.483 7.255 1.00 0.00 C ATOM 828 NH1 ARG A 55 9.088 -4.382 6.515 1.00 0.00 N ATOM 829 NH2 ARG A 55 7.821 -3.726 8.300 1.00 0.00 N ATOM 0 H ARG A 55 2.491 -5.930 3.734 1.00 0.00 H new ATOM 0 HA ARG A 55 3.836 -4.990 5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.526 -5.130 3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.328 -3.389 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.167 -3.575 4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.839 -3.519 5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.836 -6.188 5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.484 -5.919 4.916 1.00 0.00 H new ATOM 0 HE ARG A 55 6.710 -5.969 7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.208 -4.991 5.705 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.805 -3.694 6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.972 -3.834 8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.516 -3.027 8.562 1.00 0.00 H new ATOM 843 N ARG A 56 2.613 -2.488 3.783 1.00 0.00 N ATOM 844 CA ARG A 56 2.012 -1.125 3.951 1.00 0.00 C ATOM 845 C ARG A 56 2.933 -0.201 4.748 1.00 0.00 C ATOM 846 O ARG A 56 2.489 0.557 5.586 1.00 0.00 O ATOM 847 CB ARG A 56 0.642 -1.247 4.671 1.00 0.00 C ATOM 848 CG ARG A 56 0.807 -1.899 6.055 1.00 0.00 C ATOM 849 CD ARG A 56 -0.504 -1.741 6.830 1.00 0.00 C ATOM 850 NE ARG A 56 -0.370 -2.404 8.158 1.00 0.00 N ATOM 851 CZ ARG A 56 -1.389 -2.414 8.975 1.00 0.00 C ATOM 852 NH1 ARG A 56 -2.594 -2.513 8.481 1.00 0.00 N ATOM 853 NH2 ARG A 56 -1.168 -2.325 10.257 1.00 0.00 N ATOM 0 H ARG A 56 2.424 -2.928 2.882 1.00 0.00 H new ATOM 0 HA ARG A 56 1.875 -0.690 2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.195 -0.259 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.041 -1.841 4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.058 -2.954 5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.627 -1.430 6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.739 -0.685 6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.327 -2.184 6.270 1.00 0.00 H new ATOM 0 HE ARG A 56 0.509 -2.846 8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.728 -2.581 7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.401 -2.522 9.104 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.212 -2.249 10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.951 -2.331 10.911 1.00 0.00 H new ATOM 867 N LYS A 57 4.207 -0.293 4.464 1.00 0.00 N ATOM 868 CA LYS A 57 5.185 0.560 5.182 1.00 0.00 C ATOM 869 C LYS A 57 6.494 0.654 4.391 1.00 0.00 C ATOM 870 O LYS A 57 7.545 0.901 4.950 1.00 0.00 O ATOM 871 CB LYS A 57 5.464 -0.081 6.564 1.00 0.00 C ATOM 872 CG LYS A 57 5.941 1.008 7.546 1.00 0.00 C ATOM 873 CD LYS A 57 6.116 0.399 8.961 1.00 0.00 C ATOM 874 CE LYS A 57 7.521 -0.208 9.096 1.00 0.00 C ATOM 875 NZ LYS A 57 8.553 0.867 9.137 1.00 0.00 N ATOM 0 H LYS A 57 4.606 -0.922 3.767 1.00 0.00 H new ATOM 0 HA LYS A 57 4.779 1.565 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.561 -0.559 6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.222 -0.859 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.885 1.432 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.219 1.824 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.968 1.168 9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.361 -0.368 9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.578 -0.810 10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.717 -0.876 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.398 0.518 9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.809 1.139 8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.173 1.694 9.640 1.00 0.00 H new ATOM 889 N SER A 58 6.395 0.454 3.092 1.00 0.00 N ATOM 890 CA SER A 58 7.614 0.523 2.217 1.00 0.00 C ATOM 891 C SER A 58 7.342 1.404 0.998 1.00 0.00 C ATOM 892 O SER A 58 7.394 2.615 1.088 1.00 0.00 O ATOM 893 CB SER A 58 7.947 -0.900 1.739 1.00 0.00 C ATOM 894 OG SER A 58 8.892 -0.705 0.698 1.00 0.00 O ATOM 0 H SER A 58 5.524 0.247 2.603 1.00 0.00 H new ATOM 0 HA SER A 58 8.444 0.947 2.782 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.362 -1.504 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.058 -1.417 1.378 1.00 0.00 H new ATOM 0 HG SER A 58 9.162 -1.574 0.334 1.00 0.00 H new ATOM 900 N CYS A 59 7.056 0.785 -0.129 1.00 0.00 N ATOM 901 CA CYS A 59 6.780 1.585 -1.349 1.00 0.00 C ATOM 902 C CYS A 59 5.305 1.996 -1.321 1.00 0.00 C ATOM 903 O CYS A 59 4.557 1.791 -2.259 1.00 0.00 O ATOM 904 CB CYS A 59 7.098 0.686 -2.588 1.00 0.00 C ATOM 905 SG CYS A 59 8.687 0.937 -3.433 1.00 0.00 S ATOM 0 H CYS A 59 7.005 -0.227 -0.246 1.00 0.00 H new ATOM 0 HA CYS A 59 7.392 2.486 -1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.050 -0.355 -2.268 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.303 0.831 -3.320 1.00 0.00 H new ATOM 0 HG CYS A 59 8.783 0.109 -4.431 1.00 0.00 H new ATOM 910 N GLN A 60 4.936 2.572 -0.220 1.00 0.00 N ATOM 911 CA GLN A 60 3.540 3.023 -0.042 1.00 0.00 C ATOM 912 C GLN A 60 3.110 3.993 -1.122 1.00 0.00 C ATOM 913 O GLN A 60 2.027 3.887 -1.651 1.00 0.00 O ATOM 914 CB GLN A 60 3.445 3.733 1.315 1.00 0.00 C ATOM 915 CG GLN A 60 3.634 2.706 2.432 1.00 0.00 C ATOM 916 CD GLN A 60 3.719 3.429 3.777 1.00 0.00 C ATOM 917 OE1 GLN A 60 4.791 3.694 4.285 1.00 0.00 O ATOM 918 NE2 GLN A 60 2.616 3.766 4.385 1.00 0.00 N ATOM 0 H GLN A 60 5.551 2.751 0.574 1.00 0.00 H new ATOM 0 HA GLN A 60 2.887 2.152 -0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.206 4.510 1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.477 4.224 1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.803 2.001 2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.542 2.127 2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.714 3.546 3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.655 4.249 5.282 1.00 0.00 H new ATOM 927 N ALA A 61 3.958 4.917 -1.454 1.00 0.00 N ATOM 928 CA ALA A 61 3.563 5.885 -2.505 1.00 0.00 C ATOM 929 C ALA A 61 3.474 5.238 -3.860 1.00 0.00 C ATOM 930 O ALA A 61 2.560 5.517 -4.611 1.00 0.00 O ATOM 931 CB ALA A 61 4.551 7.039 -2.528 1.00 0.00 C ATOM 0 H ALA A 61 4.888 5.044 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 61 2.568 6.260 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.261 7.751 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.552 7.536 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.550 6.659 -2.742 1.00 0.00 H new ATOM 937 N CYS A 62 4.396 4.391 -4.178 1.00 0.00 N ATOM 938 CA CYS A 62 4.303 3.759 -5.497 1.00 0.00 C ATOM 939 C CYS A 62 3.058 2.909 -5.512 1.00 0.00 C ATOM 940 O CYS A 62 2.455 2.696 -6.542 1.00 0.00 O ATOM 941 CB CYS A 62 5.546 2.896 -5.728 1.00 0.00 C ATOM 942 SG CYS A 62 7.138 3.756 -5.723 1.00 0.00 S ATOM 0 H CYS A 62 5.188 4.117 -3.597 1.00 0.00 H new ATOM 0 HA CYS A 62 4.250 4.506 -6.289 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.573 2.124 -4.959 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.436 2.388 -6.686 1.00 0.00 H new ATOM 0 HG CYS A 62 7.998 3.073 -5.027 1.00 0.00 H new ATOM 947 N ARG A 63 2.689 2.430 -4.345 1.00 0.00 N ATOM 948 CA ARG A 63 1.482 1.598 -4.261 1.00 0.00 C ATOM 949 C ARG A 63 0.299 2.477 -4.593 1.00 0.00 C ATOM 950 O ARG A 63 -0.483 2.171 -5.465 1.00 0.00 O ATOM 951 CB ARG A 63 1.341 1.067 -2.819 1.00 0.00 C ATOM 952 CG ARG A 63 0.342 -0.104 -2.796 1.00 0.00 C ATOM 953 CD ARG A 63 -0.007 -0.472 -1.327 1.00 0.00 C ATOM 954 NE ARG A 63 -0.068 -1.970 -1.208 1.00 0.00 N ATOM 955 CZ ARG A 63 0.527 -2.571 -0.204 1.00 0.00 C ATOM 956 NH1 ARG A 63 1.825 -2.496 -0.105 1.00 0.00 N ATOM 957 NH2 ARG A 63 -0.199 -3.224 0.662 1.00 0.00 N ATOM 0 H ARG A 63 3.178 2.587 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 63 1.537 0.755 -4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.311 0.738 -2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.998 1.864 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.564 0.169 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.769 -0.968 -3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.744 -0.069 -0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.963 -0.031 -1.044 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.571 -2.518 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.360 -1.977 -0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.305 -2.957 0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.212 -3.262 0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.247 -3.697 1.448 1.00 0.00 H new ATOM 971 N LEU A 64 0.187 3.565 -3.870 1.00 0.00 N ATOM 972 CA LEU A 64 -0.929 4.489 -4.122 1.00 0.00 C ATOM 973 C LEU A 64 -0.951 4.865 -5.588 1.00 0.00 C ATOM 974 O LEU A 64 -1.923 4.650 -6.282 1.00 0.00 O ATOM 975 CB LEU A 64 -0.698 5.779 -3.317 1.00 0.00 C ATOM 976 CG LEU A 64 -1.846 6.781 -3.597 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.204 6.159 -3.144 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.562 8.071 -2.811 1.00 0.00 C ATOM 0 H LEU A 64 0.824 3.840 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.865 4.009 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.652 5.551 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.260 6.223 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.906 7.004 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.011 6.864 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.384 5.237 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.166 5.940 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.359 8.792 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.515 7.845 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.611 8.493 -3.135 1.00 0.00 H new ATOM 990 N ARG A 65 0.137 5.443 -6.037 1.00 0.00 N ATOM 991 CA ARG A 65 0.210 5.846 -7.454 1.00 0.00 C ATOM 992 C ARG A 65 -0.202 4.683 -8.327 1.00 0.00 C ATOM 993 O ARG A 65 -0.964 4.841 -9.260 1.00 0.00 O ATOM 994 CB ARG A 65 1.686 6.247 -7.768 1.00 0.00 C ATOM 995 CG ARG A 65 1.875 7.775 -7.549 1.00 0.00 C ATOM 996 CD ARG A 65 1.618 8.525 -8.866 1.00 0.00 C ATOM 997 NE ARG A 65 0.265 8.142 -9.393 1.00 0.00 N ATOM 998 CZ ARG A 65 -0.760 8.934 -9.194 1.00 0.00 C ATOM 999 NH1 ARG A 65 -0.707 9.803 -8.222 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -1.801 8.826 -9.975 1.00 0.00 N ATOM 0 H ARG A 65 0.966 5.647 -5.479 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.456 6.686 -7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.368 5.691 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.933 5.985 -8.797 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.190 8.129 -6.779 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.886 7.979 -7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.667 9.601 -8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.389 8.279 -9.596 1.00 0.00 H new ATOM 0 HE ARG A 65 0.144 7.268 -9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.123 9.858 -7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.496 10.427 -8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.807 8.134 -10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.608 9.434 -9.836 1.00 0.00 H new ATOM 1014 N LYS A 66 0.308 3.529 -8.014 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.058 2.370 -8.818 1.00 0.00 C ATOM 1016 C LYS A 66 -1.544 2.166 -8.705 1.00 0.00 C ATOM 1017 O LYS A 66 -2.194 1.806 -9.659 1.00 0.00 O ATOM 1018 CB LYS A 66 0.685 1.120 -8.275 1.00 0.00 C ATOM 1019 CG LYS A 66 2.097 1.039 -8.900 1.00 0.00 C ATOM 1020 CD LYS A 66 2.027 0.312 -10.253 1.00 0.00 C ATOM 1021 CE LYS A 66 3.373 0.452 -10.969 1.00 0.00 C ATOM 1022 NZ LYS A 66 3.350 -0.274 -12.270 1.00 0.00 N ATOM 0 H LYS A 66 0.953 3.353 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 66 0.218 2.525 -9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.760 1.173 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.120 0.218 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.502 2.042 -9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.773 0.511 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.790 -0.741 -10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.230 0.734 -10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.594 1.506 -11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.170 0.056 -10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.270 -0.169 -12.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.161 -1.283 -12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.603 0.122 -12.875 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.073 2.429 -7.534 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.513 2.251 -7.366 1.00 0.00 C ATOM 1038 C CYS A 67 -4.240 3.255 -8.226 1.00 0.00 C ATOM 1039 O CYS A 67 -5.254 2.961 -8.788 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.868 2.425 -5.877 1.00 0.00 C ATOM 1041 SG CYS A 67 -4.354 0.939 -4.983 1.00 0.00 S ATOM 0 H CYS A 67 -1.564 2.753 -6.711 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.817 1.252 -7.678 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.007 2.861 -5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.681 3.148 -5.803 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.644 0.930 -4.826 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.735 4.441 -8.299 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.435 5.417 -9.141 1.00 0.00 C ATOM 1049 C TYR A 68 -4.203 4.999 -10.578 1.00 0.00 C ATOM 1050 O TYR A 68 -4.989 5.293 -11.456 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.838 6.830 -8.913 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.185 7.404 -7.490 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.457 7.256 -6.917 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.232 8.144 -6.790 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.751 7.833 -5.694 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.549 8.730 -5.568 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.800 8.573 -5.018 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.092 9.133 -3.802 1.00 0.00 O ATOM 0 H TYR A 68 -2.892 4.768 -7.826 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.498 5.449 -8.902 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.755 6.787 -9.031 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.215 7.509 -9.678 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.214 6.686 -7.435 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.240 8.263 -7.200 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.733 7.704 -5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.805 9.314 -5.046 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.319 9.645 -3.483 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.104 4.307 -10.788 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.789 3.845 -12.156 1.00 0.00 C ATOM 1070 C GLU A 69 -3.748 2.747 -12.540 1.00 0.00 C ATOM 1071 O GLU A 69 -4.157 2.622 -13.678 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.346 3.297 -12.171 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.811 3.316 -13.610 1.00 0.00 C ATOM 1074 CD GLU A 69 -0.432 4.748 -13.994 1.00 0.00 C ATOM 1075 OE1 GLU A 69 -0.799 5.630 -13.236 1.00 0.00 O ATOM 1076 OE2 GLU A 69 0.205 4.880 -15.027 1.00 0.00 O ATOM 0 H GLU A 69 -2.426 4.051 -10.071 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.880 4.669 -12.863 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.708 3.901 -11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.326 2.281 -11.777 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.058 2.663 -13.695 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.567 2.932 -14.295 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.080 1.983 -11.570 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.026 0.856 -11.797 1.00 0.00 C ATOM 1085 C VAL A 70 -6.290 1.408 -12.391 1.00 0.00 C ATOM 1086 O VAL A 70 -6.940 0.795 -13.215 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.381 0.214 -10.417 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.691 -0.592 -10.535 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.267 -0.710 -9.946 1.00 0.00 C ATOM 0 H VAL A 70 -3.742 2.079 -10.613 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.577 0.116 -12.460 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.504 1.017 -9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.933 -1.037 -9.570 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.500 0.071 -10.842 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.567 -1.381 -11.277 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.537 -1.145 -8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.122 -1.506 -10.676 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.343 -0.142 -9.841 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.598 2.559 -11.943 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.823 3.258 -12.415 1.00 0.00 C ATOM 1101 C GLY A 71 -8.994 2.891 -11.497 1.00 0.00 C ATOM 1102 O GLY A 71 -10.059 2.533 -11.958 1.00 0.00 O ATOM 0 H GLY A 71 -6.051 3.073 -11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.666 4.337 -12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.047 2.972 -13.443 1.00 0.00 H new ATOM 1106 N MET A 72 -8.766 2.991 -10.196 1.00 0.00 N ATOM 1107 CA MET A 72 -9.874 2.644 -9.219 1.00 0.00 C ATOM 1108 C MET A 72 -10.563 3.914 -8.748 1.00 0.00 C ATOM 1109 O MET A 72 -10.414 4.973 -9.325 1.00 0.00 O ATOM 1110 CB MET A 72 -9.275 1.907 -7.925 1.00 0.00 C ATOM 1111 CG MET A 72 -7.762 2.042 -7.905 1.00 0.00 C ATOM 1112 SD MET A 72 -6.923 1.800 -6.331 1.00 0.00 S ATOM 1113 CE MET A 72 -7.647 0.208 -5.976 1.00 0.00 C ATOM 0 H MET A 72 -7.886 3.289 -9.775 1.00 0.00 H new ATOM 0 HA MET A 72 -10.578 1.988 -9.731 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.699 2.341 -7.020 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.554 0.853 -7.934 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.352 1.326 -8.618 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.509 3.037 -8.271 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.873 -0.473 -5.624 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.410 0.319 -5.206 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.101 -0.195 -6.881 1.00 0.00 H new ATOM 1123 N MET A 73 -11.300 3.763 -7.712 1.00 0.00 N ATOM 1124 CA MET A 73 -12.015 4.882 -7.139 1.00 0.00 C ATOM 1125 C MET A 73 -12.611 4.437 -5.840 1.00 0.00 C ATOM 1126 O MET A 73 -13.357 3.481 -5.795 1.00 0.00 O ATOM 1127 CB MET A 73 -13.123 5.349 -8.094 1.00 0.00 C ATOM 1128 CG MET A 73 -13.752 4.134 -8.794 1.00 0.00 C ATOM 1129 SD MET A 73 -15.320 4.395 -9.659 1.00 0.00 S ATOM 1130 CE MET A 73 -14.635 5.197 -11.129 1.00 0.00 C ATOM 0 H MET A 73 -11.436 2.876 -7.227 1.00 0.00 H new ATOM 0 HA MET A 73 -11.334 5.717 -6.975 1.00 0.00 H new ATOM 0 HB2 MET A 73 -13.886 5.897 -7.541 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.712 6.035 -8.835 1.00 0.00 H new ATOM 0 HG2 MET A 73 -13.030 3.748 -9.514 1.00 0.00 H new ATOM 0 HG3 MET A 73 -13.905 3.356 -8.046 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.443 5.451 -11.815 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.109 6.106 -10.836 1.00 0.00 H new ATOM 0 HE3 MET A 73 -13.939 4.519 -11.623 1.00 0.00 H new ATOM 1140 N LYS A 74 -12.233 5.126 -4.807 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.729 4.814 -3.435 1.00 0.00 C ATOM 1142 C LYS A 74 -14.055 4.062 -3.450 1.00 0.00 C ATOM 1143 O LYS A 74 -14.261 3.126 -2.703 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.958 6.133 -2.689 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.256 5.836 -1.214 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.397 7.165 -0.424 1.00 0.00 C ATOM 1147 CE LYS A 74 -14.845 7.686 -0.510 1.00 0.00 C ATOM 1148 NZ LYS A 74 -15.154 8.161 -1.888 1.00 0.00 N ATOM 0 H LYS A 74 -11.585 5.913 -4.853 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.980 4.186 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.077 6.769 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.789 6.678 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.174 5.254 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.455 5.232 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.121 7.007 0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.711 7.910 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.539 6.894 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.986 8.500 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.819 8.959 -1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.277 8.469 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.582 7.387 -2.434 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.924 4.499 -4.311 1.00 0.00 N ATOM 1163 CA GLY A 75 -16.256 3.840 -4.415 1.00 0.00 C ATOM 1164 C GLY A 75 -17.104 4.158 -3.183 1.00 0.00 C ATOM 1165 O GLY A 75 -16.508 4.242 -2.123 1.00 0.00 O ATOM 0 H GLY A 75 -14.773 5.282 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.768 4.180 -5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.129 2.761 -4.509 1.00 0.00 H new