USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 588 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00345 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.555 K(o=-0.55,f=-2.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 21 THR OG1 : rot -120:sc= -1.15 USER MOD Single : A 27 GLN : amide:sc=-0.00249 X(o=-0.0025,f=-0.32) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -5.2! C(o=-5.2!,f=-18!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.061 F(o=-0.81,f=-0.061) USER MOD Single : A 40 SER OG : rot -160:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.269 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.66! C(o=-1.7!,f=-6.3!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -1.4 K(o=-1.4,f=-5.4!) USER MOD Single : A 61 LYS NZ :NH3+ -143:sc= 0.201 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.417 K(o=-0.42,f=-1.8!) USER MOD Single : A 66 TYR OH : rot 30:sc= 0.867 USER MOD Single : A 67 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.17) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.653 -13.094 -7.237 1.00 0.00 N ATOM 60 CA GLY A 7 6.988 -11.803 -7.169 1.00 0.00 C ATOM 61 C GLY A 7 7.559 -10.951 -6.033 1.00 0.00 C ATOM 62 O GLY A 7 8.307 -11.450 -5.194 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.107 -11.278 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.918 -11.948 -7.017 1.00 0.00 H new ATOM 66 N LEU A 8 7.184 -9.681 -6.043 1.00 0.00 N ATOM 67 CA LEU A 8 7.649 -8.755 -5.025 1.00 0.00 C ATOM 68 C LEU A 8 6.614 -8.678 -3.901 1.00 0.00 C ATOM 69 O LEU A 8 5.426 -8.488 -4.157 1.00 0.00 O ATOM 70 CB LEU A 8 7.983 -7.398 -5.647 1.00 0.00 C ATOM 71 CG LEU A 8 8.431 -6.306 -4.673 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.637 -5.542 -5.224 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.271 -5.371 -4.326 1.00 0.00 C ATOM 0 H LEU A 8 6.563 -9.271 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 8 8.578 -9.113 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.771 -7.543 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.104 -7.040 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 8 8.748 -6.784 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.936 -4.772 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.465 -6.233 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.370 -5.076 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.617 -4.604 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.901 -4.897 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.468 -5.944 -3.863 1.00 0.00 H new ATOM 85 N GLU A 9 7.103 -8.830 -2.678 1.00 0.00 N ATOM 86 CA GLU A 9 6.235 -8.780 -1.514 1.00 0.00 C ATOM 87 C GLU A 9 6.106 -7.341 -1.009 1.00 0.00 C ATOM 88 O GLU A 9 7.043 -6.553 -1.125 1.00 0.00 O ATOM 89 CB GLU A 9 6.747 -9.705 -0.408 1.00 0.00 C ATOM 90 CG GLU A 9 5.708 -9.857 0.704 1.00 0.00 C ATOM 91 CD GLU A 9 6.059 -11.027 1.626 1.00 0.00 C ATOM 92 OE1 GLU A 9 5.777 -12.175 1.219 1.00 0.00 O ATOM 93 OE2 GLU A 9 6.602 -10.747 2.716 1.00 0.00 O ATOM 0 H GLU A 9 8.089 -8.988 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 9 5.246 -9.131 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.982 -10.683 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.672 -9.305 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.654 -8.936 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.723 -10.017 0.267 1.00 0.00 H new ATOM 100 N VAL A 10 4.937 -7.043 -0.461 1.00 0.00 N ATOM 101 CA VAL A 10 4.674 -5.713 0.062 1.00 0.00 C ATOM 102 C VAL A 10 3.760 -5.822 1.284 1.00 0.00 C ATOM 103 O VAL A 10 2.739 -6.507 1.241 1.00 0.00 O ATOM 104 CB VAL A 10 4.095 -4.823 -1.040 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.843 -3.405 -0.524 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.008 -4.806 -2.268 1.00 0.00 C ATOM 0 H VAL A 10 4.162 -7.699 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 10 5.600 -5.241 0.390 1.00 0.00 H new ATOM 0 HB VAL A 10 3.136 -5.245 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.432 -2.793 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.136 -3.440 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.782 -2.970 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.573 -4.166 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.988 -4.421 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.114 -5.819 -2.657 1.00 0.00 H new ATOM 116 N LEU A 11 4.160 -5.136 2.345 1.00 0.00 N ATOM 117 CA LEU A 11 3.390 -5.147 3.577 1.00 0.00 C ATOM 118 C LEU A 11 2.716 -3.786 3.764 1.00 0.00 C ATOM 119 O LEU A 11 3.043 -2.826 3.068 1.00 0.00 O ATOM 120 CB LEU A 11 4.271 -5.564 4.756 1.00 0.00 C ATOM 121 CG LEU A 11 4.838 -6.984 4.701 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.778 -7.154 3.506 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.516 -7.356 6.021 1.00 0.00 C ATOM 0 H LEU A 11 5.007 -4.569 2.377 1.00 0.00 H new ATOM 0 HA LEU A 11 2.596 -5.892 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.104 -4.864 4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.690 -5.462 5.672 1.00 0.00 H new ATOM 0 HG LEU A 11 4.009 -7.677 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.167 -8.172 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.232 -6.960 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.606 -6.451 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.910 -8.370 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.333 -6.662 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.789 -7.302 6.831 1.00 0.00 H new ATOM 135 N VAL A 12 1.786 -3.747 4.708 1.00 0.00 N ATOM 136 CA VAL A 12 1.063 -2.520 4.995 1.00 0.00 C ATOM 137 C VAL A 12 0.474 -2.599 6.405 1.00 0.00 C ATOM 138 O VAL A 12 -0.164 -3.588 6.761 1.00 0.00 O ATOM 139 CB VAL A 12 0.005 -2.272 3.918 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.000 -1.210 4.371 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.656 -1.879 2.591 1.00 0.00 C ATOM 0 H VAL A 12 1.517 -4.545 5.283 1.00 0.00 H new ATOM 0 HA VAL A 12 1.738 -1.664 4.972 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.539 -3.204 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.741 -1.053 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.499 -1.546 5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.477 -0.275 4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.118 -1.708 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.237 -0.967 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.314 -2.681 2.257 1.00 0.00 H new ATOM 151 N LYS A 13 0.709 -1.543 7.170 1.00 0.00 N ATOM 152 CA LYS A 13 0.210 -1.480 8.533 1.00 0.00 C ATOM 153 C LYS A 13 -0.740 -0.288 8.669 1.00 0.00 C ATOM 154 O LYS A 13 -0.308 0.863 8.621 1.00 0.00 O ATOM 155 CB LYS A 13 1.371 -1.458 9.529 1.00 0.00 C ATOM 156 CG LYS A 13 0.862 -1.564 10.968 1.00 0.00 C ATOM 157 CD LYS A 13 2.027 -1.651 11.956 1.00 0.00 C ATOM 158 CE LYS A 13 1.945 -0.535 12.999 1.00 0.00 C ATOM 159 NZ LYS A 13 2.702 -0.905 14.216 1.00 0.00 N ATOM 0 H LYS A 13 1.239 -0.724 6.872 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.365 -2.375 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.051 -2.283 9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.941 -0.537 9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.244 -0.697 11.204 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.228 -2.445 11.069 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.015 -2.621 12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.972 -1.581 11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.344 0.390 12.583 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.903 -0.345 13.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.636 -0.136 14.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.303 -1.776 14.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.700 -1.063 13.969 1.00 0.00 H new ATOM 173 N THR A 14 -2.015 -0.605 8.836 1.00 0.00 N ATOM 174 CA THR A 14 -3.030 0.425 8.980 1.00 0.00 C ATOM 175 C THR A 14 -3.023 0.986 10.403 1.00 0.00 C ATOM 176 O THR A 14 -2.053 0.808 11.139 1.00 0.00 O ATOM 177 CB THR A 14 -4.376 -0.177 8.571 1.00 0.00 C ATOM 178 OG1 THR A 14 -4.752 -0.978 9.688 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.245 -1.178 7.421 1.00 0.00 C ATOM 0 H THR A 14 -2.369 -1.561 8.875 1.00 0.00 H new ATOM 0 HA THR A 14 -2.826 1.275 8.328 1.00 0.00 H new ATOM 0 HB THR A 14 -5.057 0.622 8.280 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.616 -1.405 9.509 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.229 -1.575 7.170 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.823 -0.678 6.549 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.590 -1.995 7.723 1.00 0.00 H new ATOM 187 N LEU A 15 -4.114 1.653 10.747 1.00 0.00 N ATOM 188 CA LEU A 15 -4.246 2.242 12.069 1.00 0.00 C ATOM 189 C LEU A 15 -4.917 1.236 13.006 1.00 0.00 C ATOM 190 O LEU A 15 -5.914 1.553 13.653 1.00 0.00 O ATOM 191 CB LEU A 15 -4.973 3.585 11.988 1.00 0.00 C ATOM 192 CG LEU A 15 -4.272 4.680 11.180 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.244 4.330 9.691 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.911 6.046 11.437 1.00 0.00 C ATOM 0 H LEU A 15 -4.915 1.799 10.133 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.264 2.462 12.487 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.959 3.416 11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.129 3.953 13.002 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.237 4.742 11.515 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.741 5.124 9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.707 3.392 9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.264 4.224 9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.394 6.806 10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.961 6.017 11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.834 6.290 12.496 1.00 0.00 H new ATOM 206 N ASP A 16 -4.343 0.042 13.050 1.00 0.00 N ATOM 207 CA ASP A 16 -4.872 -1.012 13.898 1.00 0.00 C ATOM 208 C ASP A 16 -3.764 -2.023 14.200 1.00 0.00 C ATOM 209 O ASP A 16 -4.041 -3.192 14.465 1.00 0.00 O ATOM 210 CB ASP A 16 -6.014 -1.756 13.202 1.00 0.00 C ATOM 211 CG ASP A 16 -7.361 -1.695 13.925 1.00 0.00 C ATOM 212 OD1 ASP A 16 -7.618 -0.648 14.559 1.00 0.00 O ATOM 213 OD2 ASP A 16 -8.104 -2.695 13.828 1.00 0.00 O ATOM 0 H ASP A 16 -3.517 -0.218 12.512 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.245 -0.553 14.814 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.138 -1.345 12.200 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.728 -2.801 13.085 1.00 0.00 H new ATOM 218 N SER A 17 -2.533 -1.537 14.148 1.00 0.00 N ATOM 219 CA SER A 17 -1.382 -2.383 14.413 1.00 0.00 C ATOM 220 C SER A 17 -1.596 -3.766 13.793 1.00 0.00 C ATOM 221 O SER A 17 -1.654 -4.767 14.506 1.00 0.00 O ATOM 222 CB SER A 17 -1.125 -2.509 15.916 1.00 0.00 C ATOM 223 OG SER A 17 -0.921 -1.240 16.531 1.00 0.00 O ATOM 0 H SER A 17 -2.307 -0.567 13.926 1.00 0.00 H new ATOM 0 HA SER A 17 -0.505 -1.920 13.960 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.971 -3.009 16.388 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.250 -3.137 16.083 1.00 0.00 H new ATOM 0 HG SER A 17 -0.762 -1.363 17.490 1.00 0.00 H new ATOM 229 N GLN A 18 -1.708 -3.777 12.473 1.00 0.00 N ATOM 230 CA GLN A 18 -1.914 -5.020 11.750 1.00 0.00 C ATOM 231 C GLN A 18 -1.221 -4.962 10.387 1.00 0.00 C ATOM 232 O GLN A 18 -1.669 -4.251 9.489 1.00 0.00 O ATOM 233 CB GLN A 18 -3.405 -5.323 11.594 1.00 0.00 C ATOM 234 CG GLN A 18 -4.124 -4.184 10.869 1.00 0.00 C ATOM 235 CD GLN A 18 -4.836 -4.694 9.615 1.00 0.00 C ATOM 236 OE1 GLN A 18 -4.330 -4.615 8.507 1.00 0.00 O ATOM 237 NE2 GLN A 18 -6.034 -5.222 9.850 1.00 0.00 N ATOM 0 H GLN A 18 -1.660 -2.945 11.885 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.471 -5.831 12.327 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.535 -6.252 11.038 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.854 -5.474 12.576 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.848 -3.721 11.540 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.405 -3.412 10.595 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.398 -5.257 10.802 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.589 -5.592 9.078 1.00 0.00 H new ATOM 246 N THR A 19 -0.140 -5.720 10.275 1.00 0.00 N ATOM 247 CA THR A 19 0.619 -5.764 9.037 1.00 0.00 C ATOM 248 C THR A 19 0.193 -6.967 8.193 1.00 0.00 C ATOM 249 O THR A 19 0.118 -8.087 8.696 1.00 0.00 O ATOM 250 CB THR A 19 2.106 -5.768 9.394 1.00 0.00 C ATOM 251 OG1 THR A 19 2.291 -4.559 10.126 1.00 0.00 O ATOM 252 CG2 THR A 19 3.004 -5.601 8.166 1.00 0.00 C ATOM 0 H THR A 19 0.228 -6.309 11.022 1.00 0.00 H new ATOM 0 HA THR A 19 0.421 -4.888 8.420 1.00 0.00 H new ATOM 0 HB THR A 19 2.354 -6.700 9.901 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.229 -4.482 10.399 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.049 -5.611 8.475 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.824 -6.420 7.470 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.779 -4.653 7.677 1.00 0.00 H new ATOM 260 N ARG A 20 -0.074 -6.695 6.924 1.00 0.00 N ATOM 261 CA ARG A 20 -0.490 -7.741 6.006 1.00 0.00 C ATOM 262 C ARG A 20 0.476 -7.823 4.822 1.00 0.00 C ATOM 263 O ARG A 20 0.740 -6.820 4.161 1.00 0.00 O ATOM 264 CB ARG A 20 -1.905 -7.485 5.483 1.00 0.00 C ATOM 265 CG ARG A 20 -2.925 -7.523 6.623 1.00 0.00 C ATOM 266 CD ARG A 20 -4.186 -6.738 6.256 1.00 0.00 C ATOM 267 NE ARG A 20 -5.335 -7.225 7.052 1.00 0.00 N ATOM 268 CZ ARG A 20 -5.848 -8.459 6.953 1.00 0.00 C ATOM 269 NH1 ARG A 20 -5.317 -9.338 6.092 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.891 -8.814 7.715 1.00 0.00 N ATOM 0 H ARG A 20 -0.010 -5.765 6.510 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.482 -8.684 6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.944 -6.515 4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.162 -8.235 4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.188 -8.557 6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.482 -7.105 7.527 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.029 -5.675 6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.397 -6.849 5.192 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.763 -6.581 7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.523 -9.068 5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.707 -10.277 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.295 -8.145 8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.281 -9.753 7.640 1.00 0.00 H new ATOM 284 N THR A 21 0.978 -9.027 4.591 1.00 0.00 N ATOM 285 CA THR A 21 1.909 -9.253 3.499 1.00 0.00 C ATOM 286 C THR A 21 1.152 -9.433 2.181 1.00 0.00 C ATOM 287 O THR A 21 0.143 -10.135 2.132 1.00 0.00 O ATOM 288 CB THR A 21 2.785 -10.453 3.865 1.00 0.00 C ATOM 289 OG1 THR A 21 3.951 -9.870 4.439 1.00 0.00 O ATOM 290 CG2 THR A 21 3.308 -11.194 2.632 1.00 0.00 C ATOM 0 H THR A 21 0.757 -9.857 5.142 1.00 0.00 H new ATOM 0 HA THR A 21 2.559 -8.391 3.349 1.00 0.00 H new ATOM 0 HB THR A 21 2.214 -11.142 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.737 -10.124 3.912 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.924 -12.036 2.948 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.467 -11.560 2.043 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.907 -10.514 2.026 1.00 0.00 H new ATOM 298 N PHE A 22 1.668 -8.787 1.146 1.00 0.00 N ATOM 299 CA PHE A 22 1.054 -8.866 -0.168 1.00 0.00 C ATOM 300 C PHE A 22 2.094 -9.195 -1.241 1.00 0.00 C ATOM 301 O PHE A 22 3.219 -8.700 -1.191 1.00 0.00 O ATOM 302 CB PHE A 22 0.450 -7.492 -0.463 1.00 0.00 C ATOM 303 CG PHE A 22 -0.757 -7.142 0.409 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.904 -7.865 0.305 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.683 -6.107 1.289 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.025 -7.540 1.115 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.804 -5.782 2.098 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.951 -6.506 1.994 1.00 0.00 C ATOM 0 H PHE A 22 2.505 -8.206 1.191 1.00 0.00 H new ATOM 0 HA PHE A 22 0.300 -9.653 -0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.218 -6.731 -0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.151 -7.455 -1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.963 -8.687 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.228 -5.533 1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.936 -8.114 1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.746 -4.960 2.796 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.803 -6.259 2.610 1.00 0.00 H new ATOM 318 N ILE A 23 1.681 -10.027 -2.185 1.00 0.00 N ATOM 319 CA ILE A 23 2.563 -10.427 -3.268 1.00 0.00 C ATOM 320 C ILE A 23 2.037 -9.855 -4.586 1.00 0.00 C ATOM 321 O ILE A 23 1.059 -10.356 -5.139 1.00 0.00 O ATOM 322 CB ILE A 23 2.737 -11.947 -3.284 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.386 -12.437 -1.988 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.516 -12.397 -4.522 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.901 -12.223 -2.018 1.00 0.00 C ATOM 0 H ILE A 23 0.747 -10.435 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 23 3.561 -10.016 -3.117 1.00 0.00 H new ATOM 0 HB ILE A 23 1.749 -12.404 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.957 -11.905 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.167 -13.495 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.626 -13.481 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.976 -12.098 -5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.502 -11.933 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.337 -12.580 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.330 -12.775 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.116 -11.161 -2.136 1.00 0.00 H new ATOM 337 N VAL A 24 2.709 -8.812 -5.052 1.00 0.00 N ATOM 338 CA VAL A 24 2.322 -8.167 -6.295 1.00 0.00 C ATOM 339 C VAL A 24 3.532 -8.102 -7.230 1.00 0.00 C ATOM 340 O VAL A 24 4.669 -8.269 -6.791 1.00 0.00 O ATOM 341 CB VAL A 24 1.718 -6.792 -6.004 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.413 -6.922 -5.215 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.717 -5.898 -5.267 1.00 0.00 C ATOM 0 H VAL A 24 3.519 -8.398 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 24 1.550 -8.747 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 24 1.487 -6.319 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.005 -5.930 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.305 -7.504 -5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.609 -7.425 -4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.262 -4.927 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.994 -6.364 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.608 -5.765 -5.881 1.00 0.00 H new ATOM 353 N GLY A 25 3.245 -7.860 -8.501 1.00 0.00 N ATOM 354 CA GLY A 25 4.295 -7.772 -9.501 1.00 0.00 C ATOM 355 C GLY A 25 5.094 -6.476 -9.344 1.00 0.00 C ATOM 356 O GLY A 25 4.530 -5.385 -9.400 1.00 0.00 O ATOM 0 H GLY A 25 2.301 -7.722 -8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.963 -8.629 -9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.857 -7.815 -10.498 1.00 0.00 H new ATOM 360 N ALA A 26 6.395 -6.640 -9.152 1.00 0.00 N ATOM 361 CA ALA A 26 7.276 -5.497 -8.987 1.00 0.00 C ATOM 362 C ALA A 26 6.899 -4.416 -10.002 1.00 0.00 C ATOM 363 O ALA A 26 6.878 -3.231 -9.673 1.00 0.00 O ATOM 364 CB ALA A 26 8.731 -5.949 -9.130 1.00 0.00 C ATOM 0 H ALA A 26 6.860 -7.547 -9.107 1.00 0.00 H new ATOM 0 HA ALA A 26 7.164 -5.067 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.392 -5.091 -9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.957 -6.694 -8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.882 -6.384 -10.118 1.00 0.00 H new ATOM 370 N GLN A 27 6.610 -4.864 -11.215 1.00 0.00 N ATOM 371 CA GLN A 27 6.235 -3.950 -12.280 1.00 0.00 C ATOM 372 C GLN A 27 5.037 -3.100 -11.852 1.00 0.00 C ATOM 373 O GLN A 27 5.016 -1.891 -12.080 1.00 0.00 O ATOM 374 CB GLN A 27 5.934 -4.710 -13.574 1.00 0.00 C ATOM 375 CG GLN A 27 7.206 -5.333 -14.152 1.00 0.00 C ATOM 376 CD GLN A 27 6.890 -6.630 -14.899 1.00 0.00 C ATOM 377 OE1 GLN A 27 5.809 -6.824 -15.431 1.00 0.00 O ATOM 378 NE2 GLN A 27 7.891 -7.506 -14.908 1.00 0.00 N ATOM 0 H GLN A 27 6.628 -5.848 -11.484 1.00 0.00 H new ATOM 0 HA GLN A 27 7.076 -3.285 -12.475 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.199 -5.491 -13.379 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.493 -4.032 -14.304 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.686 -4.627 -14.829 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.914 -5.535 -13.348 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.770 -7.280 -14.443 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.779 -8.403 -15.380 1.00 0.00 H new ATOM 387 N MET A 28 4.069 -3.765 -11.239 1.00 0.00 N ATOM 388 CA MET A 28 2.870 -3.085 -10.778 1.00 0.00 C ATOM 389 C MET A 28 3.203 -1.693 -10.237 1.00 0.00 C ATOM 390 O MET A 28 4.311 -1.458 -9.758 1.00 0.00 O ATOM 391 CB MET A 28 2.204 -3.914 -9.678 1.00 0.00 C ATOM 392 CG MET A 28 0.913 -3.251 -9.196 1.00 0.00 C ATOM 393 SD MET A 28 0.166 -4.233 -7.907 1.00 0.00 S ATOM 394 CE MET A 28 -0.766 -5.389 -8.897 1.00 0.00 C ATOM 0 H MET A 28 4.090 -4.767 -11.051 1.00 0.00 H new ATOM 0 HA MET A 28 2.191 -2.973 -11.623 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.985 -4.914 -10.053 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.891 -4.032 -8.840 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.126 -2.249 -8.824 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.219 -3.140 -10.029 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.298 -6.081 -8.244 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.484 -4.846 -9.512 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.086 -5.947 -9.541 1.00 0.00 H new ATOM 404 N ASN A 29 2.223 -0.806 -10.332 1.00 0.00 N ATOM 405 CA ASN A 29 2.398 0.556 -9.858 1.00 0.00 C ATOM 406 C ASN A 29 1.733 0.705 -8.488 1.00 0.00 C ATOM 407 O ASN A 29 1.055 -0.209 -8.021 1.00 0.00 O ATOM 408 CB ASN A 29 1.746 1.559 -10.812 1.00 0.00 C ATOM 409 CG ASN A 29 0.403 1.035 -11.324 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.257 -0.119 -11.691 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.566 1.946 -11.328 1.00 0.00 N ATOM 0 H ASN A 29 1.305 -1.004 -10.730 1.00 0.00 H new ATOM 0 HA ASN A 29 3.468 0.757 -9.799 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.598 2.510 -10.300 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.411 1.750 -11.654 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.500 1.696 -11.652 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.375 2.895 -11.007 1.00 0.00 H new ATOM 418 N VAL A 30 1.951 1.863 -7.883 1.00 0.00 N ATOM 419 CA VAL A 30 1.381 2.143 -6.576 1.00 0.00 C ATOM 420 C VAL A 30 -0.144 2.050 -6.659 1.00 0.00 C ATOM 421 O VAL A 30 -0.769 1.324 -5.888 1.00 0.00 O ATOM 422 CB VAL A 30 1.870 3.502 -6.072 1.00 0.00 C ATOM 423 CG1 VAL A 30 0.952 4.043 -4.974 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.318 3.416 -5.583 1.00 0.00 C ATOM 0 H VAL A 30 2.514 2.618 -8.273 1.00 0.00 H new ATOM 0 HA VAL A 30 1.713 1.403 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 30 1.839 4.200 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.323 5.010 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.057 4.160 -5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.936 3.345 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.642 4.395 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.384 2.696 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.961 3.095 -6.403 1.00 0.00 H new ATOM 434 N LYS A 31 -0.700 2.797 -7.602 1.00 0.00 N ATOM 435 CA LYS A 31 -2.140 2.808 -7.796 1.00 0.00 C ATOM 436 C LYS A 31 -2.655 1.368 -7.844 1.00 0.00 C ATOM 437 O LYS A 31 -3.377 0.933 -6.948 1.00 0.00 O ATOM 438 CB LYS A 31 -2.508 3.634 -9.030 1.00 0.00 C ATOM 439 CG LYS A 31 -3.978 3.434 -9.406 1.00 0.00 C ATOM 440 CD LYS A 31 -4.710 4.774 -9.490 1.00 0.00 C ATOM 441 CE LYS A 31 -4.968 5.168 -10.946 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.350 6.595 -11.037 1.00 0.00 N ATOM 0 H LYS A 31 -0.179 3.399 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.634 3.296 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.319 4.690 -8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.872 3.346 -9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.045 2.918 -10.364 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.463 2.797 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.657 4.709 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.118 5.547 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.074 4.986 -11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.760 4.546 -11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.521 6.846 -12.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.216 6.759 -10.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.581 7.185 -10.659 1.00 0.00 H new ATOM 456 N GLU A 32 -2.264 0.668 -8.899 1.00 0.00 N ATOM 457 CA GLU A 32 -2.677 -0.713 -9.076 1.00 0.00 C ATOM 458 C GLU A 32 -2.677 -1.443 -7.731 1.00 0.00 C ATOM 459 O GLU A 32 -3.711 -1.946 -7.294 1.00 0.00 O ATOM 460 CB GLU A 32 -1.781 -1.429 -10.088 1.00 0.00 C ATOM 461 CG GLU A 32 -2.280 -1.205 -11.517 1.00 0.00 C ATOM 462 CD GLU A 32 -1.794 -2.318 -12.448 1.00 0.00 C ATOM 463 OE1 GLU A 32 -0.587 -2.633 -12.375 1.00 0.00 O ATOM 464 OE2 GLU A 32 -2.641 -2.828 -13.213 1.00 0.00 O ATOM 0 H GLU A 32 -1.665 1.032 -9.640 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.693 -0.720 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.758 -1.065 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.760 -2.497 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.369 -1.170 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.927 -0.240 -11.882 1.00 0.00 H new ATOM 471 N PHE A 33 -1.506 -1.478 -7.113 1.00 0.00 N ATOM 472 CA PHE A 33 -1.357 -2.138 -5.827 1.00 0.00 C ATOM 473 C PHE A 33 -2.500 -1.762 -4.883 1.00 0.00 C ATOM 474 O PHE A 33 -3.106 -2.631 -4.258 1.00 0.00 O ATOM 475 CB PHE A 33 -0.035 -1.656 -5.227 1.00 0.00 C ATOM 476 CG PHE A 33 0.346 -2.354 -3.920 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.714 -3.663 -3.930 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.316 -1.665 -2.748 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.067 -4.311 -2.717 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.670 -2.313 -1.534 1.00 0.00 C ATOM 481 CZ PHE A 33 1.038 -3.622 -1.545 1.00 0.00 C ATOM 0 H PHE A 33 -0.651 -1.060 -7.479 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.372 -3.220 -5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.761 -1.811 -5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.099 -0.583 -5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.738 -4.210 -4.861 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.023 -0.625 -2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.358 -5.351 -2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.647 -1.766 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.307 -4.115 -0.622 1.00 0.00 H new ATOM 491 N LYS A 34 -2.761 -0.465 -4.808 1.00 0.00 N ATOM 492 CA LYS A 34 -3.820 0.038 -3.950 1.00 0.00 C ATOM 493 C LYS A 34 -5.132 -0.667 -4.301 1.00 0.00 C ATOM 494 O LYS A 34 -5.891 -1.052 -3.412 1.00 0.00 O ATOM 495 CB LYS A 34 -3.900 1.563 -4.034 1.00 0.00 C ATOM 496 CG LYS A 34 -2.657 2.212 -3.422 1.00 0.00 C ATOM 497 CD LYS A 34 -2.970 3.618 -2.906 1.00 0.00 C ATOM 498 CE LYS A 34 -1.807 4.574 -3.181 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.173 5.545 -4.236 1.00 0.00 N ATOM 0 H LYS A 34 -2.257 0.253 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.604 -0.189 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.999 1.869 -5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.791 1.913 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.286 1.595 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.864 2.263 -4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.874 3.992 -3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.169 3.580 -1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.541 5.104 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.928 4.008 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.373 6.186 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.405 5.035 -5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.999 6.097 -3.928 1.00 0.00 H new ATOM 513 N GLU A 35 -5.359 -0.815 -5.598 1.00 0.00 N ATOM 514 CA GLU A 35 -6.566 -1.467 -6.077 1.00 0.00 C ATOM 515 C GLU A 35 -6.553 -2.950 -5.701 1.00 0.00 C ATOM 516 O GLU A 35 -7.601 -3.535 -5.435 1.00 0.00 O ATOM 517 CB GLU A 35 -6.724 -1.285 -7.588 1.00 0.00 C ATOM 518 CG GLU A 35 -6.782 0.198 -7.959 1.00 0.00 C ATOM 519 CD GLU A 35 -7.458 0.397 -9.317 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.311 -0.451 -9.656 1.00 0.00 O ATOM 521 OE2 GLU A 35 -7.106 1.393 -9.985 1.00 0.00 O ATOM 0 H GLU A 35 -4.727 -0.495 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.425 -0.998 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.890 -1.760 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.633 -1.784 -7.925 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.329 0.747 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.773 0.609 -7.987 1.00 0.00 H new ATOM 528 N HIS A 36 -5.355 -3.515 -5.691 1.00 0.00 N ATOM 529 CA HIS A 36 -5.192 -4.918 -5.352 1.00 0.00 C ATOM 530 C HIS A 36 -5.507 -5.128 -3.870 1.00 0.00 C ATOM 531 O HIS A 36 -6.372 -5.931 -3.523 1.00 0.00 O ATOM 532 CB HIS A 36 -3.795 -5.411 -5.737 1.00 0.00 C ATOM 533 CG HIS A 36 -3.549 -6.867 -5.420 1.00 0.00 C ATOM 534 ND1 HIS A 36 -2.669 -7.455 -4.560 1.00 0.00 N flip ATOM 535 CD2 HIS A 36 -4.254 -7.895 -6.022 1.00 0.00 C flip ATOM 536 CE1 HIS A 36 -2.829 -8.771 -4.631 1.00 0.00 C flip ATOM 537 NE2 HIS A 36 -3.810 -9.046 -5.537 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.488 -3.026 -5.912 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.897 -5.519 -5.926 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.646 -5.252 -6.805 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.051 -4.806 -5.218 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.033 -7.779 -6.761 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.273 -9.503 -4.064 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.144 -9.974 -5.796 1.00 0.00 H new ATOM 545 N ILE A 37 -4.787 -4.394 -3.035 1.00 0.00 N ATOM 546 CA ILE A 37 -4.979 -4.489 -1.598 1.00 0.00 C ATOM 547 C ILE A 37 -6.351 -3.920 -1.232 1.00 0.00 C ATOM 548 O ILE A 37 -6.996 -4.396 -0.298 1.00 0.00 O ATOM 549 CB ILE A 37 -3.819 -3.822 -0.857 1.00 0.00 C ATOM 550 CG1 ILE A 37 -3.837 -2.306 -1.062 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.480 -4.440 -1.264 1.00 0.00 C ATOM 552 CD1 ILE A 37 -2.778 -1.622 -0.195 1.00 0.00 C ATOM 0 H ILE A 37 -4.069 -3.730 -3.326 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.971 -5.532 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.946 -4.004 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.657 -2.075 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.823 -1.914 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.672 -3.947 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.482 -5.503 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.330 -4.310 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.813 -0.545 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.975 -1.834 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.791 -1.998 -0.462 1.00 0.00 H new ATOM 564 N ALA A 38 -6.758 -2.910 -1.987 1.00 0.00 N ATOM 565 CA ALA A 38 -8.042 -2.271 -1.754 1.00 0.00 C ATOM 566 C ALA A 38 -9.086 -3.340 -1.426 1.00 0.00 C ATOM 567 O ALA A 38 -10.004 -3.096 -0.644 1.00 0.00 O ATOM 568 CB ALA A 38 -8.426 -1.436 -2.977 1.00 0.00 C ATOM 0 H ALA A 38 -6.221 -2.518 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.985 -1.593 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.389 -0.957 -2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.667 -0.673 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.496 -2.083 -3.852 1.00 0.00 H new ATOM 574 N ALA A 39 -8.912 -4.500 -2.040 1.00 0.00 N ATOM 575 CA ALA A 39 -9.828 -5.607 -1.823 1.00 0.00 C ATOM 576 C ALA A 39 -9.724 -6.073 -0.369 1.00 0.00 C ATOM 577 O ALA A 39 -10.730 -6.153 0.334 1.00 0.00 O ATOM 578 CB ALA A 39 -9.519 -6.728 -2.818 1.00 0.00 C ATOM 0 H ALA A 39 -8.150 -4.698 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.857 -5.292 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.206 -7.558 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.636 -6.354 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.495 -7.071 -2.673 1.00 0.00 H new ATOM 584 N SER A 40 -8.498 -6.367 0.038 1.00 0.00 N ATOM 585 CA SER A 40 -8.249 -6.822 1.395 1.00 0.00 C ATOM 586 C SER A 40 -8.595 -5.713 2.391 1.00 0.00 C ATOM 587 O SER A 40 -9.495 -5.872 3.214 1.00 0.00 O ATOM 588 CB SER A 40 -6.793 -7.258 1.572 1.00 0.00 C ATOM 589 OG SER A 40 -6.571 -8.582 1.094 1.00 0.00 O ATOM 0 H SER A 40 -7.666 -6.299 -0.548 1.00 0.00 H new ATOM 0 HA SER A 40 -8.885 -7.686 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.140 -6.566 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.524 -7.203 2.627 1.00 0.00 H new ATOM 0 HG SER A 40 -5.752 -8.941 1.495 1.00 0.00 H new ATOM 595 N VAL A 41 -7.863 -4.614 2.282 1.00 0.00 N ATOM 596 CA VAL A 41 -8.081 -3.479 3.162 1.00 0.00 C ATOM 597 C VAL A 41 -9.540 -3.029 3.056 1.00 0.00 C ATOM 598 O VAL A 41 -10.080 -2.437 3.988 1.00 0.00 O ATOM 599 CB VAL A 41 -7.087 -2.363 2.835 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.648 -2.822 3.082 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.267 -1.873 1.396 1.00 0.00 C ATOM 0 H VAL A 41 -7.118 -4.486 1.597 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.902 -3.762 4.199 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.291 -1.525 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.961 -2.011 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.529 -3.100 4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.427 -3.683 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.548 -1.080 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.102 -2.701 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.279 -1.489 1.266 1.00 0.00 H new ATOM 611 N SER A 42 -10.136 -3.329 1.911 1.00 0.00 N ATOM 612 CA SER A 42 -11.521 -2.963 1.670 1.00 0.00 C ATOM 613 C SER A 42 -11.649 -1.443 1.554 1.00 0.00 C ATOM 614 O SER A 42 -12.695 -0.878 1.868 1.00 0.00 O ATOM 615 CB SER A 42 -12.431 -3.488 2.783 1.00 0.00 C ATOM 616 OG SER A 42 -13.584 -4.145 2.264 1.00 0.00 O ATOM 0 H SER A 42 -9.685 -3.821 1.140 1.00 0.00 H new ATOM 0 HA SER A 42 -11.837 -3.420 0.732 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.872 -4.180 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.742 -2.659 3.419 1.00 0.00 H new ATOM 0 HG SER A 42 -14.138 -4.467 3.005 1.00 0.00 H new ATOM 622 N ILE A 43 -10.568 -0.823 1.102 1.00 0.00 N ATOM 623 CA ILE A 43 -10.546 0.620 0.940 1.00 0.00 C ATOM 624 C ILE A 43 -10.120 0.963 -0.488 1.00 0.00 C ATOM 625 O ILE A 43 -9.258 0.297 -1.060 1.00 0.00 O ATOM 626 CB ILE A 43 -9.669 1.266 2.015 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.225 0.992 3.414 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.492 2.763 1.752 1.00 0.00 C ATOM 629 CD1 ILE A 43 -9.300 1.559 4.493 1.00 0.00 C ATOM 0 H ILE A 43 -9.701 -1.294 0.843 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.544 1.034 1.083 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.680 0.811 1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.216 1.437 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.343 -0.082 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.865 3.198 2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.018 2.908 0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.467 3.251 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.719 1.350 5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.317 1.094 4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.204 2.637 4.360 1.00 0.00 H new ATOM 641 N PRO A 44 -10.759 2.029 -1.039 1.00 0.00 N ATOM 642 CA PRO A 44 -10.456 2.468 -2.390 1.00 0.00 C ATOM 643 C PRO A 44 -9.115 3.204 -2.439 1.00 0.00 C ATOM 644 O PRO A 44 -8.766 3.930 -1.510 1.00 0.00 O ATOM 645 CB PRO A 44 -11.629 3.346 -2.792 1.00 0.00 C ATOM 646 CG PRO A 44 -12.316 3.743 -1.496 1.00 0.00 C ATOM 647 CD PRO A 44 -11.785 2.842 -0.392 1.00 0.00 C ATOM 0 HA PRO A 44 -10.341 1.637 -3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.289 4.225 -3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.313 2.807 -3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.117 4.789 -1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.397 3.637 -1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.369 3.425 0.429 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.576 2.221 0.027 1.00 0.00 H new ATOM 655 N SER A 45 -8.399 2.990 -3.534 1.00 0.00 N ATOM 656 CA SER A 45 -7.104 3.623 -3.716 1.00 0.00 C ATOM 657 C SER A 45 -7.218 5.129 -3.471 1.00 0.00 C ATOM 658 O SER A 45 -6.421 5.704 -2.731 1.00 0.00 O ATOM 659 CB SER A 45 -6.552 3.355 -5.117 1.00 0.00 C ATOM 660 OG SER A 45 -7.159 4.190 -6.100 1.00 0.00 O ATOM 0 H SER A 45 -8.691 2.387 -4.303 1.00 0.00 H new ATOM 0 HA SER A 45 -6.410 3.195 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.474 3.518 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.717 2.310 -5.378 1.00 0.00 H new ATOM 0 HG SER A 45 -6.778 3.989 -6.980 1.00 0.00 H new ATOM 666 N GLU A 46 -8.217 5.725 -4.105 1.00 0.00 N ATOM 667 CA GLU A 46 -8.447 7.153 -3.965 1.00 0.00 C ATOM 668 C GLU A 46 -8.540 7.533 -2.486 1.00 0.00 C ATOM 669 O GLU A 46 -8.240 8.666 -2.112 1.00 0.00 O ATOM 670 CB GLU A 46 -9.704 7.584 -4.722 1.00 0.00 C ATOM 671 CG GLU A 46 -10.968 7.175 -3.963 1.00 0.00 C ATOM 672 CD GLU A 46 -12.142 6.970 -4.923 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.175 5.893 -5.557 1.00 0.00 O ATOM 674 OE2 GLU A 46 -12.980 7.894 -5.001 1.00 0.00 O ATOM 0 H GLU A 46 -8.877 5.245 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.601 7.682 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.695 8.665 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.709 7.132 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.782 6.255 -3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.221 7.942 -3.231 1.00 0.00 H new ATOM 681 N LYS A 47 -8.958 6.564 -1.684 1.00 0.00 N ATOM 682 CA LYS A 47 -9.095 6.783 -0.254 1.00 0.00 C ATOM 683 C LYS A 47 -7.799 6.371 0.447 1.00 0.00 C ATOM 684 O LYS A 47 -7.485 6.874 1.524 1.00 0.00 O ATOM 685 CB LYS A 47 -10.337 6.068 0.280 1.00 0.00 C ATOM 686 CG LYS A 47 -11.594 6.910 0.054 1.00 0.00 C ATOM 687 CD LYS A 47 -12.821 6.242 0.679 1.00 0.00 C ATOM 688 CE LYS A 47 -13.540 7.198 1.632 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.698 7.828 0.958 1.00 0.00 N ATOM 0 H LYS A 47 -9.206 5.626 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.249 7.841 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.447 5.104 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.216 5.867 1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.455 7.901 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.756 7.049 -1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.506 5.923 -0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.516 5.346 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.877 6.655 2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.848 7.968 1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.175 8.474 1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.369 8.362 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.365 7.091 0.652 1.00 0.00 H new ATOM 703 N GLN A 48 -7.081 5.460 -0.194 1.00 0.00 N ATOM 704 CA GLN A 48 -5.826 4.975 0.355 1.00 0.00 C ATOM 705 C GLN A 48 -4.707 5.986 0.095 1.00 0.00 C ATOM 706 O GLN A 48 -4.868 6.902 -0.710 1.00 0.00 O ATOM 707 CB GLN A 48 -5.470 3.603 -0.220 1.00 0.00 C ATOM 708 CG GLN A 48 -6.467 2.539 0.242 1.00 0.00 C ATOM 709 CD GLN A 48 -5.966 1.134 -0.097 1.00 0.00 C ATOM 710 OE1 GLN A 48 -5.279 0.488 0.676 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.348 0.698 -1.295 1.00 0.00 N ATOM 0 H GLN A 48 -7.344 5.045 -1.088 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.943 4.861 1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.463 3.652 -1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.464 3.324 0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.622 2.624 1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.433 2.709 -0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.924 1.290 -1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.065 -0.228 -1.615 1.00 0.00 H new ATOM 720 N ARG A 49 -3.598 5.786 0.792 1.00 0.00 N ATOM 721 CA ARG A 49 -2.453 6.668 0.646 1.00 0.00 C ATOM 722 C ARG A 49 -1.206 6.025 1.257 1.00 0.00 C ATOM 723 O ARG A 49 -0.836 6.332 2.389 1.00 0.00 O ATOM 724 CB ARG A 49 -2.707 8.016 1.324 1.00 0.00 C ATOM 725 CG ARG A 49 -1.446 8.882 1.311 1.00 0.00 C ATOM 726 CD ARG A 49 -1.779 10.341 1.631 1.00 0.00 C ATOM 727 NE ARG A 49 -2.781 10.853 0.670 1.00 0.00 N ATOM 728 CZ ARG A 49 -3.314 12.081 0.723 1.00 0.00 C ATOM 729 NH1 ARG A 49 -2.943 12.931 1.691 1.00 0.00 N ATOM 730 NH2 ARG A 49 -4.217 12.460 -0.191 1.00 0.00 N ATOM 0 H ARG A 49 -3.468 5.026 1.460 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.296 6.833 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.516 8.538 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.031 7.855 2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.731 8.500 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.968 8.820 0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.164 10.420 2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.875 10.948 1.584 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.085 10.232 -0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.255 12.643 2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.349 13.866 1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.499 11.814 -0.928 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.622 13.395 -0.150 1.00 0.00 H new ATOM 744 N LEU A 50 -0.593 5.144 0.481 1.00 0.00 N ATOM 745 CA LEU A 50 0.605 4.455 0.931 1.00 0.00 C ATOM 746 C LEU A 50 1.699 5.483 1.227 1.00 0.00 C ATOM 747 O LEU A 50 2.039 6.297 0.370 1.00 0.00 O ATOM 748 CB LEU A 50 1.022 3.388 -0.082 1.00 0.00 C ATOM 749 CG LEU A 50 -0.081 2.434 -0.545 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.460 1.415 -1.549 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.758 1.758 0.649 1.00 0.00 C ATOM 0 H LEU A 50 -0.903 4.891 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 50 0.410 3.920 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.433 3.889 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.827 2.796 0.354 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.844 3.019 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.345 0.750 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.857 1.937 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.253 0.831 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.538 1.085 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.018 1.189 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.201 2.517 1.294 1.00 0.00 H new ATOM 763 N ILE A 51 2.220 5.412 2.443 1.00 0.00 N ATOM 764 CA ILE A 51 3.268 6.327 2.863 1.00 0.00 C ATOM 765 C ILE A 51 4.426 5.527 3.462 1.00 0.00 C ATOM 766 O ILE A 51 4.226 4.724 4.372 1.00 0.00 O ATOM 767 CB ILE A 51 2.704 7.392 3.805 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.605 8.205 3.118 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.819 8.285 4.353 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.555 8.672 4.128 1.00 0.00 C ATOM 0 H ILE A 51 1.936 4.735 3.151 1.00 0.00 H new ATOM 0 HA ILE A 51 3.665 6.871 2.006 1.00 0.00 H new ATOM 0 HB ILE A 51 2.247 6.887 4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.045 9.069 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.129 7.600 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.391 9.034 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.536 7.676 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.326 8.783 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.214 9.247 3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.100 7.805 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.030 9.297 4.884 1.00 0.00 H new ATOM 782 N TYR A 52 5.613 5.775 2.928 1.00 0.00 N ATOM 783 CA TYR A 52 6.804 5.088 3.399 1.00 0.00 C ATOM 784 C TYR A 52 7.736 6.050 4.137 1.00 0.00 C ATOM 785 O TYR A 52 8.171 7.054 3.574 1.00 0.00 O ATOM 786 CB TYR A 52 7.514 4.568 2.147 1.00 0.00 C ATOM 787 CG TYR A 52 8.845 3.868 2.432 1.00 0.00 C ATOM 788 CD1 TYR A 52 8.857 2.553 2.848 1.00 0.00 C ATOM 789 CD2 TYR A 52 10.032 4.553 2.272 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.109 1.894 3.115 1.00 0.00 C ATOM 791 CE2 TYR A 52 11.284 3.894 2.540 1.00 0.00 C ATOM 792 CZ TYR A 52 11.261 2.597 2.948 1.00 0.00 C ATOM 793 OH TYR A 52 12.443 1.975 3.201 1.00 0.00 O ATOM 0 H TYR A 52 5.776 6.442 2.174 1.00 0.00 H new ATOM 0 HA TYR A 52 6.538 4.289 4.091 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.853 3.873 1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.692 5.403 1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.927 2.018 2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.022 5.583 1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.133 0.865 3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.221 4.418 2.420 1.00 0.00 H new ATOM 0 HH TYR A 52 13.182 2.598 3.038 1.00 0.00 H new ATOM 803 N GLN A 53 8.016 5.710 5.387 1.00 0.00 N ATOM 804 CA GLN A 53 8.889 6.532 6.208 1.00 0.00 C ATOM 805 C GLN A 53 8.227 7.879 6.504 1.00 0.00 C ATOM 806 O GLN A 53 7.894 8.173 7.651 1.00 0.00 O ATOM 807 CB GLN A 53 10.251 6.725 5.538 1.00 0.00 C ATOM 808 CG GLN A 53 11.038 5.414 5.506 1.00 0.00 C ATOM 809 CD GLN A 53 12.258 5.484 6.427 1.00 0.00 C ATOM 810 OE1 GLN A 53 12.228 5.067 7.573 1.00 0.00 O ATOM 811 NE2 GLN A 53 13.330 6.034 5.863 1.00 0.00 N ATOM 0 H GLN A 53 7.654 4.877 5.851 1.00 0.00 H new ATOM 0 HA GLN A 53 9.056 6.017 7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.111 7.094 4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.821 7.482 6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.393 4.591 5.813 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.360 5.204 4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.287 6.363 4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.195 6.127 6.395 1.00 0.00 H new ATOM 820 N GLY A 54 8.056 8.662 5.449 1.00 0.00 N ATOM 821 CA GLY A 54 7.440 9.971 5.581 1.00 0.00 C ATOM 822 C GLY A 54 7.191 10.601 4.208 1.00 0.00 C ATOM 823 O GLY A 54 7.255 11.820 4.060 1.00 0.00 O ATOM 0 H GLY A 54 8.333 8.415 4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.497 9.880 6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.084 10.622 6.172 1.00 0.00 H new ATOM 827 N ARG A 55 6.912 9.741 3.240 1.00 0.00 N ATOM 828 CA ARG A 55 6.654 10.198 1.885 1.00 0.00 C ATOM 829 C ARG A 55 5.427 9.487 1.310 1.00 0.00 C ATOM 830 O ARG A 55 5.269 8.279 1.479 1.00 0.00 O ATOM 831 CB ARG A 55 7.857 9.937 0.977 1.00 0.00 C ATOM 832 CG ARG A 55 8.728 11.188 0.848 1.00 0.00 C ATOM 833 CD ARG A 55 9.779 11.014 -0.251 1.00 0.00 C ATOM 834 NE ARG A 55 10.968 10.320 0.291 1.00 0.00 N ATOM 835 CZ ARG A 55 11.085 8.988 0.379 1.00 0.00 C ATOM 836 NH1 ARG A 55 10.086 8.199 -0.038 1.00 0.00 N ATOM 837 NH2 ARG A 55 12.201 8.446 0.885 1.00 0.00 N ATOM 0 H ARG A 55 6.859 8.730 3.367 1.00 0.00 H new ATOM 0 HA ARG A 55 6.471 11.272 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.450 9.116 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.512 9.626 -0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.101 12.051 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.221 11.392 1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.360 10.442 -1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.066 11.987 -0.649 1.00 0.00 H new ATOM 0 HE ARG A 55 11.747 10.891 0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.236 8.612 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.175 7.185 0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.961 9.047 1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.290 7.432 0.952 1.00 0.00 H new ATOM 851 N VAL A 56 4.589 10.268 0.643 1.00 0.00 N ATOM 852 CA VAL A 56 3.381 9.729 0.043 1.00 0.00 C ATOM 853 C VAL A 56 3.729 9.079 -1.298 1.00 0.00 C ATOM 854 O VAL A 56 3.965 9.773 -2.285 1.00 0.00 O ATOM 855 CB VAL A 56 2.323 10.827 -0.082 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.881 12.043 -0.824 1.00 0.00 C ATOM 857 CG2 VAL A 56 1.061 10.298 -0.766 1.00 0.00 C ATOM 0 H VAL A 56 4.723 11.270 0.505 1.00 0.00 H new ATOM 0 HA VAL A 56 2.952 8.954 0.679 1.00 0.00 H new ATOM 0 HB VAL A 56 2.049 11.145 0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.109 12.809 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.736 12.442 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.196 11.746 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.325 11.099 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.311 9.939 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.646 9.478 -0.180 1.00 0.00 H new ATOM 867 N LEU A 57 3.750 7.754 -1.289 1.00 0.00 N ATOM 868 CA LEU A 57 4.065 7.003 -2.493 1.00 0.00 C ATOM 869 C LEU A 57 3.175 7.488 -3.639 1.00 0.00 C ATOM 870 O LEU A 57 1.953 7.527 -3.507 1.00 0.00 O ATOM 871 CB LEU A 57 3.963 5.500 -2.228 1.00 0.00 C ATOM 872 CG LEU A 57 4.854 4.953 -1.111 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.177 3.785 -0.391 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.235 4.572 -1.649 1.00 0.00 C ATOM 0 H LEU A 57 3.554 7.182 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 57 5.097 7.181 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.927 5.263 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.205 4.972 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 57 5.002 5.743 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.832 3.415 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.237 4.122 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.979 2.984 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.849 4.186 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.128 3.806 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.714 5.452 -2.079 1.00 0.00 H new ATOM 886 N GLN A 58 3.823 7.844 -4.738 1.00 0.00 N ATOM 887 CA GLN A 58 3.105 8.324 -5.907 1.00 0.00 C ATOM 888 C GLN A 58 2.395 7.164 -6.608 1.00 0.00 C ATOM 889 O GLN A 58 2.961 6.082 -6.752 1.00 0.00 O ATOM 890 CB GLN A 58 4.048 9.051 -6.869 1.00 0.00 C ATOM 891 CG GLN A 58 3.516 10.445 -7.209 1.00 0.00 C ATOM 892 CD GLN A 58 2.031 10.390 -7.576 1.00 0.00 C ATOM 893 OE1 GLN A 58 1.631 9.798 -8.565 1.00 0.00 O ATOM 894 NE2 GLN A 58 1.240 11.040 -6.727 1.00 0.00 N ATOM 0 H GLN A 58 4.837 7.810 -4.844 1.00 0.00 H new ATOM 0 HA GLN A 58 2.352 9.040 -5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.038 9.135 -6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.161 8.468 -7.783 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.660 11.111 -6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.085 10.863 -8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.641 11.515 -5.918 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.233 11.064 -6.885 1.00 0.00 H new ATOM 903 N ASP A 59 1.166 7.430 -7.025 1.00 0.00 N ATOM 904 CA ASP A 59 0.373 6.422 -7.707 1.00 0.00 C ATOM 905 C ASP A 59 1.137 5.921 -8.934 1.00 0.00 C ATOM 906 O ASP A 59 1.374 4.723 -9.075 1.00 0.00 O ATOM 907 CB ASP A 59 -0.961 7.000 -8.184 1.00 0.00 C ATOM 908 CG ASP A 59 -0.914 8.470 -8.607 1.00 0.00 C ATOM 909 OD1 ASP A 59 -1.125 9.323 -7.718 1.00 0.00 O ATOM 910 OD2 ASP A 59 -0.668 8.707 -9.809 1.00 0.00 O ATOM 0 H ASP A 59 0.700 8.329 -6.904 1.00 0.00 H new ATOM 0 HA ASP A 59 0.184 5.610 -7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.317 6.406 -9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.694 6.891 -7.385 1.00 0.00 H new ATOM 915 N ASP A 60 1.502 6.865 -9.789 1.00 0.00 N ATOM 916 CA ASP A 60 2.235 6.534 -11.000 1.00 0.00 C ATOM 917 C ASP A 60 3.470 5.709 -10.634 1.00 0.00 C ATOM 918 O ASP A 60 3.842 4.787 -11.358 1.00 0.00 O ATOM 919 CB ASP A 60 2.708 7.799 -11.720 1.00 0.00 C ATOM 920 CG ASP A 60 2.966 7.632 -13.218 1.00 0.00 C ATOM 921 OD1 ASP A 60 4.028 7.064 -13.551 1.00 0.00 O ATOM 922 OD2 ASP A 60 2.095 8.076 -13.997 1.00 0.00 O ATOM 0 H ASP A 60 1.304 7.858 -9.668 1.00 0.00 H new ATOM 0 HA ASP A 60 1.568 5.973 -11.655 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.960 8.580 -11.580 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.625 8.148 -11.245 1.00 0.00 H new ATOM 927 N LYS A 61 4.071 6.069 -9.509 1.00 0.00 N ATOM 928 CA LYS A 61 5.257 5.373 -9.038 1.00 0.00 C ATOM 929 C LYS A 61 4.924 3.895 -8.825 1.00 0.00 C ATOM 930 O LYS A 61 3.754 3.523 -8.752 1.00 0.00 O ATOM 931 CB LYS A 61 5.824 6.062 -7.795 1.00 0.00 C ATOM 932 CG LYS A 61 7.009 6.959 -8.158 1.00 0.00 C ATOM 933 CD LYS A 61 8.337 6.239 -7.912 1.00 0.00 C ATOM 934 CE LYS A 61 9.322 6.501 -9.053 1.00 0.00 C ATOM 935 NZ LYS A 61 10.398 7.414 -8.609 1.00 0.00 N ATOM 0 H LYS A 61 3.759 6.833 -8.910 1.00 0.00 H new ATOM 0 HA LYS A 61 6.048 5.417 -9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.046 6.657 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.140 5.311 -7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.939 7.254 -9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.972 7.874 -7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.769 6.576 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.162 5.167 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.753 5.559 -9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.796 6.936 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.653 8.054 -9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.066 7.972 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.232 6.858 -8.330 1.00 0.00 H new ATOM 949 N LYS A 62 5.974 3.093 -8.730 1.00 0.00 N ATOM 950 CA LYS A 62 5.808 1.664 -8.526 1.00 0.00 C ATOM 951 C LYS A 62 6.423 1.270 -7.182 1.00 0.00 C ATOM 952 O LYS A 62 7.334 1.937 -6.693 1.00 0.00 O ATOM 953 CB LYS A 62 6.374 0.884 -9.714 1.00 0.00 C ATOM 954 CG LYS A 62 5.813 1.413 -11.035 1.00 0.00 C ATOM 955 CD LYS A 62 6.806 1.195 -12.179 1.00 0.00 C ATOM 956 CE LYS A 62 6.076 1.010 -13.511 1.00 0.00 C ATOM 957 NZ LYS A 62 6.981 1.306 -14.644 1.00 0.00 N ATOM 0 H LYS A 62 6.943 3.406 -8.791 1.00 0.00 H new ATOM 0 HA LYS A 62 4.750 1.406 -8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.461 0.961 -9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.130 -0.173 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.874 0.909 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.590 2.476 -10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.482 2.048 -12.246 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.419 0.318 -11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.706 -0.012 -13.591 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.207 1.667 -13.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.470 1.175 -15.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.313 2.289 -14.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.797 0.662 -14.614 1.00 0.00 H new ATOM 971 N LEU A 63 5.901 0.188 -6.623 1.00 0.00 N ATOM 972 CA LEU A 63 6.388 -0.303 -5.345 1.00 0.00 C ATOM 973 C LEU A 63 7.894 -0.554 -5.440 1.00 0.00 C ATOM 974 O LEU A 63 8.675 0.041 -4.698 1.00 0.00 O ATOM 975 CB LEU A 63 5.587 -1.529 -4.901 1.00 0.00 C ATOM 976 CG LEU A 63 4.106 -1.537 -5.284 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.539 -0.116 -5.312 1.00 0.00 C ATOM 978 CD2 LEU A 63 3.886 -2.267 -6.611 1.00 0.00 C ATOM 0 H LEU A 63 5.146 -0.362 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 63 6.238 0.446 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.056 -2.417 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.662 -1.614 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 63 3.559 -2.088 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.485 -0.150 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.642 0.336 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.086 0.479 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.825 -2.258 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.448 -1.766 -7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.229 -3.298 -6.520 1.00 0.00 H new ATOM 990 N GLN A 64 8.258 -1.436 -6.359 1.00 0.00 N ATOM 991 CA GLN A 64 9.657 -1.773 -6.561 1.00 0.00 C ATOM 992 C GLN A 64 10.503 -0.501 -6.640 1.00 0.00 C ATOM 993 O GLN A 64 11.620 -0.461 -6.127 1.00 0.00 O ATOM 994 CB GLN A 64 9.839 -2.631 -7.815 1.00 0.00 C ATOM 995 CG GLN A 64 11.271 -3.161 -7.913 1.00 0.00 C ATOM 996 CD GLN A 64 11.598 -3.595 -9.343 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.057 -3.087 -10.312 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.511 -4.559 -9.421 1.00 0.00 N ATOM 0 H GLN A 64 7.608 -1.928 -6.972 1.00 0.00 H new ATOM 0 HA GLN A 64 9.996 -2.359 -5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.139 -3.466 -7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.604 -2.041 -8.701 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.971 -2.389 -7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.397 -4.005 -7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.924 -4.940 -8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.798 -4.917 -10.332 1.00 0.00 H new ATOM 1007 N GLU A 65 9.939 0.508 -7.287 1.00 0.00 N ATOM 1008 CA GLU A 65 10.628 1.779 -7.440 1.00 0.00 C ATOM 1009 C GLU A 65 11.046 2.323 -6.073 1.00 0.00 C ATOM 1010 O GLU A 65 12.152 2.839 -5.918 1.00 0.00 O ATOM 1011 CB GLU A 65 9.756 2.788 -8.189 1.00 0.00 C ATOM 1012 CG GLU A 65 10.351 3.115 -9.560 1.00 0.00 C ATOM 1013 CD GLU A 65 11.643 3.923 -9.419 1.00 0.00 C ATOM 1014 OE1 GLU A 65 11.691 4.758 -8.491 1.00 0.00 O ATOM 1015 OE2 GLU A 65 12.553 3.685 -10.243 1.00 0.00 O ATOM 0 H GLU A 65 9.012 0.472 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 65 11.527 1.614 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.751 2.385 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.664 3.701 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.553 2.191 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.628 3.679 -10.149 1.00 0.00 H new ATOM 1022 N TYR A 66 10.140 2.190 -5.116 1.00 0.00 N ATOM 1023 CA TYR A 66 10.401 2.663 -3.767 1.00 0.00 C ATOM 1024 C TYR A 66 11.180 1.620 -2.962 1.00 0.00 C ATOM 1025 O TYR A 66 11.635 1.900 -1.854 1.00 0.00 O ATOM 1026 CB TYR A 66 9.030 2.868 -3.119 1.00 0.00 C ATOM 1027 CG TYR A 66 8.289 4.112 -3.613 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.836 5.364 -3.419 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.073 3.982 -4.254 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.138 6.535 -3.884 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.376 5.153 -4.719 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.942 6.372 -4.511 1.00 0.00 C ATOM 1033 OH TYR A 66 6.283 7.477 -4.950 1.00 0.00 O ATOM 0 H TYR A 66 9.224 1.761 -5.248 1.00 0.00 H new ATOM 0 HA TYR A 66 10.994 3.577 -3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.413 1.990 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.157 2.938 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.788 5.466 -2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.645 3.002 -4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.555 7.521 -3.738 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.424 5.065 -5.222 1.00 0.00 H new ATOM 0 HH TYR A 66 6.932 8.174 -5.182 1.00 0.00 H new ATOM 1043 N ASN A 67 11.310 0.441 -3.551 1.00 0.00 N ATOM 1044 CA ASN A 67 12.027 -0.644 -2.903 1.00 0.00 C ATOM 1045 C ASN A 67 11.325 -1.001 -1.591 1.00 0.00 C ATOM 1046 O ASN A 67 11.977 -1.178 -0.563 1.00 0.00 O ATOM 1047 CB ASN A 67 13.464 -0.237 -2.575 1.00 0.00 C ATOM 1048 CG ASN A 67 14.392 -0.495 -3.764 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.452 -1.582 -4.313 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.110 0.564 -4.129 1.00 0.00 N ATOM 0 H ASN A 67 10.931 0.213 -4.470 1.00 0.00 H new ATOM 0 HA ASN A 67 12.041 -1.494 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.495 0.819 -2.308 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.815 -0.796 -1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.759 0.494 -4.912 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.011 1.445 -3.625 1.00 0.00 H new ATOM 1057 N VAL A 68 10.006 -1.096 -1.669 1.00 0.00 N ATOM 1058 CA VAL A 68 9.209 -1.429 -0.500 1.00 0.00 C ATOM 1059 C VAL A 68 9.065 -2.949 -0.402 1.00 0.00 C ATOM 1060 O VAL A 68 8.226 -3.449 0.345 1.00 0.00 O ATOM 1061 CB VAL A 68 7.863 -0.703 -0.561 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.060 0.813 -0.626 1.00 0.00 C ATOM 1063 CG2 VAL A 68 7.026 -1.199 -1.742 1.00 0.00 C ATOM 0 H VAL A 68 9.469 -0.948 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 68 9.705 -1.091 0.410 1.00 0.00 H new ATOM 0 HB VAL A 68 7.318 -0.930 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.088 1.305 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.598 1.148 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.635 1.067 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.075 -0.667 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.564 -1.016 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.842 -2.268 -1.634 1.00 0.00 H new ATOM 1073 N GLY A 69 9.896 -3.641 -1.167 1.00 0.00 N ATOM 1074 CA GLY A 69 9.872 -5.094 -1.176 1.00 0.00 C ATOM 1075 C GLY A 69 10.155 -5.655 0.219 1.00 0.00 C ATOM 1076 O GLY A 69 11.208 -5.388 0.797 1.00 0.00 O ATOM 0 H GLY A 69 10.591 -3.222 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.899 -5.443 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.614 -5.469 -1.880 1.00 0.00 H new ATOM 1080 N GLY A 70 9.198 -6.422 0.719 1.00 0.00 N ATOM 1081 CA GLY A 70 9.331 -7.023 2.035 1.00 0.00 C ATOM 1082 C GLY A 70 9.416 -5.950 3.122 1.00 0.00 C ATOM 1083 O GLY A 70 9.752 -6.247 4.267 1.00 0.00 O ATOM 0 H GLY A 70 8.327 -6.641 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.479 -7.675 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.224 -7.647 2.065 1.00 0.00 H new ATOM 1087 N LYS A 71 9.107 -4.724 2.724 1.00 0.00 N ATOM 1088 CA LYS A 71 9.145 -3.605 3.650 1.00 0.00 C ATOM 1089 C LYS A 71 7.746 -3.377 4.225 1.00 0.00 C ATOM 1090 O LYS A 71 6.768 -3.929 3.724 1.00 0.00 O ATOM 1091 CB LYS A 71 9.741 -2.369 2.973 1.00 0.00 C ATOM 1092 CG LYS A 71 11.186 -2.624 2.541 1.00 0.00 C ATOM 1093 CD LYS A 71 12.156 -2.385 3.700 1.00 0.00 C ATOM 1094 CE LYS A 71 13.604 -2.602 3.257 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.531 -1.844 4.127 1.00 0.00 N ATOM 0 H LYS A 71 8.829 -4.481 1.773 1.00 0.00 H new ATOM 0 HA LYS A 71 9.803 -3.828 4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.140 -2.100 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.707 -1.522 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.287 -3.649 2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.441 -1.969 1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.035 -1.369 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.919 -3.060 4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.847 -3.664 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.725 -2.284 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.510 -2.002 3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.309 -0.830 4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.427 -2.167 5.110 1.00 0.00 H new ATOM 1109 N VAL A 72 7.695 -2.562 5.269 1.00 0.00 N ATOM 1110 CA VAL A 72 6.432 -2.254 5.917 1.00 0.00 C ATOM 1111 C VAL A 72 6.037 -0.812 5.595 1.00 0.00 C ATOM 1112 O VAL A 72 6.695 0.129 6.035 1.00 0.00 O ATOM 1113 CB VAL A 72 6.535 -2.524 7.420 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.385 -1.858 8.177 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.582 -4.027 7.705 1.00 0.00 C ATOM 0 H VAL A 72 8.509 -2.106 5.682 1.00 0.00 H new ATOM 0 HA VAL A 72 5.641 -2.901 5.538 1.00 0.00 H new ATOM 0 HB VAL A 72 7.468 -2.086 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.482 -2.066 9.243 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.417 -0.781 8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.435 -2.252 7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.655 -4.191 8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.674 -4.498 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.450 -4.464 7.211 1.00 0.00 H new ATOM 1125 N ILE A 73 4.963 -0.684 4.829 1.00 0.00 N ATOM 1126 CA ILE A 73 4.472 0.628 4.442 1.00 0.00 C ATOM 1127 C ILE A 73 3.446 1.107 5.471 1.00 0.00 C ATOM 1128 O ILE A 73 3.059 0.355 6.363 1.00 0.00 O ATOM 1129 CB ILE A 73 3.939 0.600 3.008 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.823 -0.269 2.112 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.778 2.017 2.455 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.136 -0.554 0.774 1.00 0.00 C ATOM 0 H ILE A 73 4.419 -1.467 4.466 1.00 0.00 H new ATOM 0 HA ILE A 73 5.285 1.354 4.440 1.00 0.00 H new ATOM 0 HB ILE A 73 2.948 0.146 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.774 0.233 1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.047 -1.208 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.398 1.968 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.077 2.573 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.745 2.521 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.786 -1.174 0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.197 -1.078 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.936 0.386 0.260 1.00 0.00 H new ATOM 1144 N HIS A 74 3.035 2.357 5.311 1.00 0.00 N ATOM 1145 CA HIS A 74 2.061 2.945 6.215 1.00 0.00 C ATOM 1146 C HIS A 74 0.885 3.502 5.410 1.00 0.00 C ATOM 1147 O HIS A 74 0.954 4.614 4.891 1.00 0.00 O ATOM 1148 CB HIS A 74 2.717 3.998 7.111 1.00 0.00 C ATOM 1149 CG HIS A 74 3.665 3.426 8.137 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.242 2.952 9.367 1.00 0.00 N ATOM 1151 CD2 HIS A 74 5.018 3.255 8.104 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.301 2.520 10.036 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.401 2.708 9.251 1.00 0.00 N ATOM 0 H HIS A 74 3.359 2.978 4.569 1.00 0.00 H new ATOM 0 HA HIS A 74 1.669 2.177 6.882 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.260 4.706 6.485 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.937 4.560 7.625 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.668 3.520 7.283 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.295 2.094 11.028 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.360 2.468 9.504 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.168 2.701 5.332 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.358 3.100 4.599 1.00 0.00 C ATOM 1163 C LEU A 75 -2.265 3.923 5.516 1.00 0.00 C ATOM 1164 O LEU A 75 -2.319 3.681 6.721 1.00 0.00 O ATOM 1165 CB LEU A 75 -2.047 1.877 3.989 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.559 1.991 3.786 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.886 2.882 2.587 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.201 0.607 3.664 1.00 0.00 C ATOM 0 H LEU A 75 -0.222 1.779 5.764 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.090 3.739 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.586 1.668 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.850 1.017 4.629 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.987 2.469 4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.967 2.946 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.480 3.880 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.444 2.456 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.276 0.716 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.772 0.081 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.012 0.037 4.574 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.955 4.878 4.911 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.857 5.738 5.658 1.00 0.00 C ATOM 1182 C VAL A 76 -5.117 5.992 4.829 1.00 0.00 C ATOM 1183 O VAL A 76 -5.044 6.136 3.610 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.137 7.027 6.061 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.970 6.731 7.005 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.663 7.799 4.828 1.00 0.00 C ATOM 0 H VAL A 76 -2.908 5.075 3.911 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.169 5.252 6.583 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.849 7.655 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.476 7.664 7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.345 6.244 7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.257 6.074 6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.155 8.710 5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.974 7.179 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.522 8.058 4.208 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.245 6.039 5.523 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.519 6.272 4.866 1.00 0.00 C ATOM 1198 C GLU A 77 -8.008 7.694 5.147 1.00 0.00 C ATOM 1199 O GLU A 77 -8.245 8.057 6.298 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.559 5.238 5.303 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.883 5.447 4.566 1.00 0.00 C ATOM 1202 CD GLU A 77 -11.059 4.920 5.391 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -11.401 5.595 6.386 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.590 3.855 5.008 1.00 0.00 O ATOM 0 H GLU A 77 -6.302 5.920 6.534 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.377 6.163 3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.184 4.234 5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.722 5.312 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.025 6.508 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.852 4.937 3.603 1.00 0.00 H new