USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 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 59 GLN : amide:sc= -1.51! C(o=-1.2!,f=-0.64!) USER MOD Set 1.2: A 63 ASN : amide:sc= 0.321 K(o=-1.2,f=-0.64) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.823 K(o=-1.2,f=-4.8!) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= -0.391! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -103:sc= 0.0255 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -152:sc= -0.209 (180deg=-1.11) USER MOD Single : A 12 MET CE :methyl 180:sc= -0.0045 (180deg=-0.0045) USER MOD Single : A 13 MET CE :methyl -108:sc= -0.242 (180deg=-3.25!) USER MOD Single : A 15 HIS : no HD1:sc= -0.666 X(o=-0.67,f=-0.71) USER MOD Single : A 19 ASN : amide:sc= -2.15! K(o=-2.2!,f=-0.95) USER MOD Single : A 20 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 30 TYR OH : rot 14:sc= -0.277 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -7.2! C(o=-7.2!,f=-12!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 167:sc= 1.06 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=-0.0076) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.913 -10.283 -1.391 1.00 0.00 N ATOM 2 CA GLY A 1 -14.123 -10.518 -2.585 1.00 0.00 C ATOM 3 C GLY A 1 -14.722 -9.863 -3.814 1.00 0.00 C ATOM 4 O GLY A 1 -15.159 -8.714 -3.762 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.462 -10.751 -0.579 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.975 -9.261 -1.211 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.869 -10.669 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.113 -10.138 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.037 -11.591 -2.755 1.00 0.00 H new ATOM 8 N SER A 2 -14.740 -10.595 -4.924 1.00 0.00 N ATOM 9 CA SER A 2 -15.284 -10.076 -6.173 1.00 0.00 C ATOM 10 C SER A 2 -15.461 -11.195 -7.195 1.00 0.00 C ATOM 11 O SER A 2 -14.513 -11.911 -7.517 1.00 0.00 O ATOM 12 CB SER A 2 -14.368 -8.990 -6.741 1.00 0.00 C ATOM 13 OG SER A 2 -15.107 -8.036 -7.483 1.00 0.00 O ATOM 0 H SER A 2 -14.384 -11.549 -4.983 1.00 0.00 H new ATOM 0 HA SER A 2 -16.262 -9.642 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.840 -8.493 -5.927 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.612 -9.446 -7.380 1.00 0.00 H new ATOM 0 HG SER A 2 -14.980 -8.197 -8.441 1.00 0.00 H new ATOM 19 N SER A 3 -16.681 -11.338 -7.701 1.00 0.00 N ATOM 20 CA SER A 3 -16.984 -12.372 -8.684 1.00 0.00 C ATOM 21 C SER A 3 -16.140 -12.190 -9.942 1.00 0.00 C ATOM 22 O SER A 3 -15.474 -13.119 -10.396 1.00 0.00 O ATOM 23 CB SER A 3 -18.471 -12.342 -9.045 1.00 0.00 C ATOM 24 OG SER A 3 -18.833 -13.478 -9.810 1.00 0.00 O ATOM 0 H SER A 3 -17.476 -10.751 -7.447 1.00 0.00 H new ATOM 0 HA SER A 3 -16.744 -13.339 -8.243 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.069 -12.307 -8.134 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.694 -11.435 -9.607 1.00 0.00 H new ATOM 0 HG SER A 3 -19.788 -13.436 -10.026 1.00 0.00 H new ATOM 30 N GLY A 4 -16.174 -10.984 -10.501 1.00 0.00 N ATOM 31 CA GLY A 4 -15.409 -10.700 -11.701 1.00 0.00 C ATOM 32 C GLY A 4 -14.292 -9.705 -11.455 1.00 0.00 C ATOM 33 O GLY A 4 -14.123 -9.214 -10.338 1.00 0.00 O ATOM 0 H GLY A 4 -16.718 -10.198 -10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.986 -11.628 -12.087 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.076 -10.310 -12.470 1.00 0.00 H new ATOM 37 N SER A 5 -13.527 -9.406 -12.500 1.00 0.00 N ATOM 38 CA SER A 5 -12.417 -8.467 -12.390 1.00 0.00 C ATOM 39 C SER A 5 -12.819 -7.088 -12.906 1.00 0.00 C ATOM 40 O SER A 5 -12.722 -6.808 -14.100 1.00 0.00 O ATOM 41 CB SER A 5 -11.206 -8.983 -13.171 1.00 0.00 C ATOM 42 OG SER A 5 -10.674 -10.152 -12.573 1.00 0.00 O ATOM 0 H SER A 5 -13.655 -9.800 -13.432 1.00 0.00 H new ATOM 0 HA SER A 5 -12.151 -8.378 -11.337 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.497 -9.197 -14.199 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.439 -8.210 -13.211 1.00 0.00 H new ATOM 0 HG SER A 5 -9.903 -10.463 -13.092 1.00 0.00 H new ATOM 48 N SER A 6 -13.271 -6.232 -11.996 1.00 0.00 N ATOM 49 CA SER A 6 -13.692 -4.884 -12.357 1.00 0.00 C ATOM 50 C SER A 6 -12.962 -3.842 -11.515 1.00 0.00 C ATOM 51 O SER A 6 -13.567 -2.892 -11.021 1.00 0.00 O ATOM 52 CB SER A 6 -15.204 -4.733 -12.177 1.00 0.00 C ATOM 53 OG SER A 6 -15.911 -5.462 -13.165 1.00 0.00 O ATOM 0 H SER A 6 -13.355 -6.448 -11.003 1.00 0.00 H new ATOM 0 HA SER A 6 -13.440 -4.721 -13.405 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.492 -5.084 -11.186 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.477 -3.679 -12.234 1.00 0.00 H new ATOM 0 HG SER A 6 -16.875 -5.350 -13.027 1.00 0.00 H new ATOM 59 N GLY A 7 -11.655 -4.029 -11.356 1.00 0.00 N ATOM 60 CA GLY A 7 -10.862 -3.099 -10.573 1.00 0.00 C ATOM 61 C GLY A 7 -9.387 -3.448 -10.577 1.00 0.00 C ATOM 62 O GLY A 7 -8.897 -4.098 -11.502 1.00 0.00 O ATOM 0 H GLY A 7 -11.131 -4.808 -11.755 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.995 -2.092 -10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.227 -3.090 -9.546 1.00 0.00 H new ATOM 66 N LYS A 8 -8.676 -3.015 -9.542 1.00 0.00 N ATOM 67 CA LYS A 8 -7.247 -3.285 -9.429 1.00 0.00 C ATOM 68 C LYS A 8 -6.942 -4.744 -9.749 1.00 0.00 C ATOM 69 O LYS A 8 -7.767 -5.635 -9.546 1.00 0.00 O ATOM 70 CB LYS A 8 -6.753 -2.946 -8.021 1.00 0.00 C ATOM 71 CG LYS A 8 -6.542 -1.460 -7.791 1.00 0.00 C ATOM 72 CD LYS A 8 -5.324 -0.947 -8.542 1.00 0.00 C ATOM 73 CE LYS A 8 -5.445 0.537 -8.854 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.666 0.838 -9.651 1.00 0.00 N ATOM 0 H LYS A 8 -9.066 -2.475 -8.769 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.726 -2.657 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.473 -3.319 -7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.815 -3.470 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.427 -0.912 -8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.420 -1.270 -6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.428 -1.123 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.205 -1.506 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.470 1.103 -7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.563 0.866 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.502 1.685 -10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.884 0.031 -10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.466 1.008 -9.009 1.00 0.00 H new ATOM 88 N PRO A 9 -5.728 -4.998 -10.260 1.00 0.00 N ATOM 89 CA PRO A 9 -5.285 -6.349 -10.617 1.00 0.00 C ATOM 90 C PRO A 9 -5.060 -7.228 -9.391 1.00 0.00 C ATOM 91 O PRO A 9 -5.143 -6.758 -8.257 1.00 0.00 O ATOM 92 CB PRO A 9 -3.964 -6.107 -11.352 1.00 0.00 C ATOM 93 CG PRO A 9 -3.469 -4.806 -10.822 1.00 0.00 C ATOM 94 CD PRO A 9 -4.694 -3.985 -10.529 1.00 0.00 C ATOM 0 HA PRO A 9 -6.029 -6.878 -11.213 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.252 -6.909 -11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.113 -6.064 -12.431 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.873 -4.953 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.829 -4.306 -11.549 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.542 -3.329 -9.672 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.963 -3.350 -11.373 1.00 0.00 H new ATOM 102 N GLU A 10 -4.775 -8.504 -9.628 1.00 0.00 N ATOM 103 CA GLU A 10 -4.538 -9.448 -8.542 1.00 0.00 C ATOM 104 C GLU A 10 -3.048 -9.738 -8.388 1.00 0.00 C ATOM 105 O GLU A 10 -2.522 -9.769 -7.275 1.00 0.00 O ATOM 106 CB GLU A 10 -5.299 -10.751 -8.794 1.00 0.00 C ATOM 107 CG GLU A 10 -5.228 -11.229 -10.234 1.00 0.00 C ATOM 108 CD GLU A 10 -5.994 -12.518 -10.459 1.00 0.00 C ATOM 109 OE1 GLU A 10 -7.240 -12.489 -10.385 1.00 0.00 O ATOM 110 OE2 GLU A 10 -5.346 -13.556 -10.711 1.00 0.00 O ATOM 0 H GLU A 10 -4.703 -8.908 -10.562 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.900 -8.997 -7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.899 -11.528 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.344 -10.611 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.626 -10.455 -10.890 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.185 -11.377 -10.513 1.00 0.00 H new ATOM 117 N TRP A 11 -2.374 -9.950 -9.513 1.00 0.00 N ATOM 118 CA TRP A 11 -0.944 -10.238 -9.504 1.00 0.00 C ATOM 119 C TRP A 11 -0.193 -9.240 -8.629 1.00 0.00 C ATOM 120 O TRP A 11 0.825 -9.575 -8.024 1.00 0.00 O ATOM 121 CB TRP A 11 -0.388 -10.206 -10.928 1.00 0.00 C ATOM 122 CG TRP A 11 -0.669 -8.922 -11.647 1.00 0.00 C ATOM 123 CD1 TRP A 11 -1.823 -8.579 -12.292 1.00 0.00 C ATOM 124 CD2 TRP A 11 0.221 -7.810 -11.796 1.00 0.00 C ATOM 125 NE1 TRP A 11 -1.704 -7.321 -12.833 1.00 0.00 N ATOM 126 CE2 TRP A 11 -0.460 -6.828 -12.541 1.00 0.00 C ATOM 127 CE3 TRP A 11 1.526 -7.548 -11.369 1.00 0.00 C ATOM 128 CZ2 TRP A 11 0.123 -5.606 -12.870 1.00 0.00 C ATOM 129 CZ3 TRP A 11 2.102 -6.335 -11.696 1.00 0.00 C ATOM 130 CH2 TRP A 11 1.401 -5.376 -12.439 1.00 0.00 C ATOM 0 H TRP A 11 -2.794 -9.928 -10.442 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.802 -11.236 -9.088 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.690 -10.366 -10.893 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.815 -11.033 -11.496 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.700 -9.204 -12.366 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.425 -6.834 -13.365 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.074 -8.280 -10.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.415 -4.867 -13.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.110 -6.123 -11.373 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.879 -4.437 -12.676 1.00 0.00 H new ATOM 141 N MET A 12 -0.702 -8.014 -8.567 1.00 0.00 N ATOM 142 CA MET A 12 -0.078 -6.968 -7.764 1.00 0.00 C ATOM 143 C MET A 12 -0.161 -7.302 -6.278 1.00 0.00 C ATOM 144 O MET A 12 -1.231 -7.626 -5.763 1.00 0.00 O ATOM 145 CB MET A 12 -0.749 -5.620 -8.034 1.00 0.00 C ATOM 146 CG MET A 12 -0.126 -4.851 -9.187 1.00 0.00 C ATOM 147 SD MET A 12 1.627 -4.514 -8.931 1.00 0.00 S ATOM 148 CE MET A 12 1.712 -2.789 -9.404 1.00 0.00 C ATOM 0 H MET A 12 -1.544 -7.720 -9.062 1.00 0.00 H new ATOM 0 HA MET A 12 0.973 -6.905 -8.046 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.805 -5.785 -8.247 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.697 -5.011 -7.132 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.252 -5.420 -10.108 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.658 -3.909 -9.319 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.737 -2.433 -9.299 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.394 -2.680 -10.441 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.057 -2.202 -8.760 1.00 0.00 H new ATOM 158 N MET A 13 0.975 -7.221 -5.593 1.00 0.00 N ATOM 159 CA MET A 13 1.030 -7.514 -4.166 1.00 0.00 C ATOM 160 C MET A 13 1.648 -6.352 -3.396 1.00 0.00 C ATOM 161 O MET A 13 2.053 -5.349 -3.986 1.00 0.00 O ATOM 162 CB MET A 13 1.834 -8.792 -3.916 1.00 0.00 C ATOM 163 CG MET A 13 1.535 -9.902 -4.910 1.00 0.00 C ATOM 164 SD MET A 13 2.956 -10.972 -5.204 1.00 0.00 S ATOM 165 CE MET A 13 4.011 -9.880 -6.154 1.00 0.00 C ATOM 0 H MET A 13 1.870 -6.955 -6.004 1.00 0.00 H new ATOM 0 HA MET A 13 0.010 -7.660 -3.811 1.00 0.00 H new ATOM 0 HB2 MET A 13 2.897 -8.556 -3.956 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.625 -9.152 -2.908 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.704 -10.502 -4.540 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.215 -9.462 -5.854 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.032 -10.208 -7.193 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.623 -8.863 -6.102 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.021 -9.904 -5.746 1.00 0.00 H new ATOM 175 N ILE A 14 1.718 -6.492 -2.076 1.00 0.00 N ATOM 176 CA ILE A 14 2.288 -5.454 -1.227 1.00 0.00 C ATOM 177 C ILE A 14 3.446 -5.996 -0.397 1.00 0.00 C ATOM 178 O ILE A 14 3.244 -6.762 0.546 1.00 0.00 O ATOM 179 CB ILE A 14 1.229 -4.856 -0.281 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.062 -4.280 -1.085 1.00 0.00 C ATOM 181 CG2 ILE A 14 1.852 -3.785 0.601 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.916 -3.487 -0.247 1.00 0.00 C ATOM 0 H ILE A 14 1.387 -7.315 -1.572 1.00 0.00 H new ATOM 0 HA ILE A 14 2.655 -4.671 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 14 0.846 -5.650 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.456 -3.639 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.470 -5.096 -1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.092 -3.372 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.652 -4.224 1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.259 -2.990 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.717 -3.109 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.338 -4.130 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.399 -2.650 0.221 1.00 0.00 H new ATOM 194 N HIS A 15 4.662 -5.593 -0.753 1.00 0.00 N ATOM 195 CA HIS A 15 5.854 -6.037 -0.040 1.00 0.00 C ATOM 196 C HIS A 15 5.797 -5.619 1.426 1.00 0.00 C ATOM 197 O HIS A 15 5.829 -6.461 2.324 1.00 0.00 O ATOM 198 CB HIS A 15 7.110 -5.465 -0.697 1.00 0.00 C ATOM 199 CG HIS A 15 8.374 -6.143 -0.265 1.00 0.00 C ATOM 200 ND1 HIS A 15 9.388 -6.473 -1.140 1.00 0.00 N ATOM 201 CD2 HIS A 15 8.786 -6.552 0.957 1.00 0.00 C ATOM 202 CE1 HIS A 15 10.368 -7.057 -0.474 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.028 -7.117 0.801 1.00 0.00 N ATOM 0 H HIS A 15 4.847 -4.960 -1.531 1.00 0.00 H new ATOM 0 HA HIS A 15 5.892 -7.125 -0.088 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.014 -5.549 -1.780 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.180 -4.402 -0.465 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.240 -6.453 1.883 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.291 -7.423 -0.900 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.595 -7.518 1.548 1.00 0.00 H new ATOM 212 N ARG A 16 5.714 -4.313 1.661 1.00 0.00 N ATOM 213 CA ARG A 16 5.655 -3.783 3.018 1.00 0.00 C ATOM 214 C ARG A 16 5.386 -2.281 3.004 1.00 0.00 C ATOM 215 O ARG A 16 5.790 -1.577 2.078 1.00 0.00 O ATOM 216 CB ARG A 16 6.962 -4.071 3.758 1.00 0.00 C ATOM 217 CG ARG A 16 8.173 -3.386 3.145 1.00 0.00 C ATOM 218 CD ARG A 16 9.366 -3.415 4.088 1.00 0.00 C ATOM 219 NE ARG A 16 10.634 -3.433 3.365 1.00 0.00 N ATOM 220 CZ ARG A 16 11.799 -3.109 3.915 1.00 0.00 C ATOM 221 NH1 ARG A 16 11.855 -2.743 5.188 1.00 0.00 N ATOM 222 NH2 ARG A 16 12.911 -3.150 3.192 1.00 0.00 N ATOM 0 H ARG A 16 5.686 -3.603 0.929 1.00 0.00 H new ATOM 0 HA ARG A 16 4.834 -4.277 3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.861 -3.751 4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.132 -5.148 3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.436 -3.878 2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.924 -2.353 2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.333 -2.543 4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.301 -4.295 4.728 1.00 0.00 H new ATOM 0 HE ARG A 16 10.625 -3.710 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.003 -2.710 5.747 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.751 -2.495 5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.872 -3.431 2.212 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.805 -2.901 3.616 1.00 0.00 H new ATOM 236 N ILE A 17 4.702 -1.798 4.036 1.00 0.00 N ATOM 237 CA ILE A 17 4.380 -0.380 4.142 1.00 0.00 C ATOM 238 C ILE A 17 5.622 0.442 4.469 1.00 0.00 C ATOM 239 O ILE A 17 6.065 0.487 5.618 1.00 0.00 O ATOM 240 CB ILE A 17 3.310 -0.125 5.219 1.00 0.00 C ATOM 241 CG1 ILE A 17 1.940 -0.599 4.730 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.267 1.351 5.584 1.00 0.00 C ATOM 243 CD1 ILE A 17 0.907 -0.700 5.831 1.00 0.00 C ATOM 0 H ILE A 17 4.360 -2.367 4.810 1.00 0.00 H new ATOM 0 HA ILE A 17 3.988 -0.071 3.173 1.00 0.00 H new ATOM 0 HB ILE A 17 3.572 -0.692 6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.578 0.089 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.050 -1.574 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.506 1.515 6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.239 1.659 5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.026 1.938 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.039 -1.042 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.247 -1.410 6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.768 0.279 6.290 1.00 0.00 H new ATOM 255 N LEU A 18 6.178 1.093 3.454 1.00 0.00 N ATOM 256 CA LEU A 18 7.369 1.917 3.634 1.00 0.00 C ATOM 257 C LEU A 18 7.111 3.034 4.641 1.00 0.00 C ATOM 258 O LEU A 18 7.879 3.222 5.584 1.00 0.00 O ATOM 259 CB LEU A 18 7.807 2.513 2.295 1.00 0.00 C ATOM 260 CG LEU A 18 7.818 1.554 1.104 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.513 2.192 -0.088 1.00 0.00 C ATOM 262 CD2 LEU A 18 8.494 0.244 1.481 1.00 0.00 C ATOM 0 H LEU A 18 5.824 1.067 2.498 1.00 0.00 H new ATOM 0 HA LEU A 18 8.166 1.282 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.146 3.347 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.809 2.924 2.414 1.00 0.00 H new ATOM 0 HG LEU A 18 6.787 1.340 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.511 1.495 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.986 3.103 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.541 2.437 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.493 -0.427 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.522 0.440 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.952 -0.221 2.305 1.00 0.00 H new ATOM 274 N ASN A 19 6.024 3.771 4.435 1.00 0.00 N ATOM 275 CA ASN A 19 5.664 4.868 5.325 1.00 0.00 C ATOM 276 C ASN A 19 4.233 5.330 5.068 1.00 0.00 C ATOM 277 O ASN A 19 3.520 4.752 4.247 1.00 0.00 O ATOM 278 CB ASN A 19 6.631 6.039 5.142 1.00 0.00 C ATOM 279 CG ASN A 19 6.723 6.912 6.379 1.00 0.00 C ATOM 280 OD1 ASN A 19 7.339 6.533 7.376 1.00 0.00 O ATOM 281 ND2 ASN A 19 6.108 8.087 6.321 1.00 0.00 N ATOM 0 H ASN A 19 5.377 3.628 3.659 1.00 0.00 H new ATOM 0 HA ASN A 19 5.731 4.507 6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.621 5.654 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.307 6.645 4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.134 8.717 7.123 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.609 8.360 5.474 1.00 0.00 H new ATOM 288 N HIS A 20 3.819 6.377 5.775 1.00 0.00 N ATOM 289 CA HIS A 20 2.474 6.919 5.622 1.00 0.00 C ATOM 290 C HIS A 20 2.498 8.444 5.626 1.00 0.00 C ATOM 291 O HIS A 20 3.365 9.059 6.247 1.00 0.00 O ATOM 292 CB HIS A 20 1.566 6.409 6.742 1.00 0.00 C ATOM 293 CG HIS A 20 1.665 7.209 8.005 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.568 6.924 9.008 1.00 0.00 N ATOM 295 CD2 HIS A 20 0.970 8.292 8.423 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.422 7.795 9.989 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.459 8.637 9.659 1.00 0.00 N ATOM 0 H HIS A 20 4.396 6.867 6.459 1.00 0.00 H new ATOM 0 HA HIS A 20 2.081 6.582 4.663 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.533 6.420 6.395 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.818 5.371 6.959 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.178 8.792 7.885 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.993 7.816 10.906 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.132 9.417 10.230 1.00 0.00 H new ATOM 306 N SER A 21 1.542 9.049 4.928 1.00 0.00 N ATOM 307 CA SER A 21 1.457 10.502 4.847 1.00 0.00 C ATOM 308 C SER A 21 0.020 10.949 4.599 1.00 0.00 C ATOM 309 O SER A 21 -0.653 10.445 3.700 1.00 0.00 O ATOM 310 CB SER A 21 2.365 11.026 3.733 1.00 0.00 C ATOM 311 OG SER A 21 2.024 12.355 3.380 1.00 0.00 O ATOM 0 H SER A 21 0.815 8.555 4.410 1.00 0.00 H new ATOM 0 HA SER A 21 1.788 10.914 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.404 10.988 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.282 10.381 2.858 1.00 0.00 H new ATOM 0 HG SER A 21 2.620 12.667 2.667 1.00 0.00 H new ATOM 317 N VAL A 22 -0.445 11.900 5.404 1.00 0.00 N ATOM 318 CA VAL A 22 -1.802 12.417 5.273 1.00 0.00 C ATOM 319 C VAL A 22 -1.822 13.708 4.462 1.00 0.00 C ATOM 320 O VAL A 22 -1.518 14.783 4.979 1.00 0.00 O ATOM 321 CB VAL A 22 -2.438 12.679 6.650 1.00 0.00 C ATOM 322 CG1 VAL A 22 -3.850 13.222 6.492 1.00 0.00 C ATOM 323 CG2 VAL A 22 -2.437 11.409 7.488 1.00 0.00 C ATOM 0 H VAL A 22 0.099 12.328 6.154 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.382 11.655 4.752 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.842 13.430 7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.283 13.401 7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.820 14.157 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.460 12.497 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.890 11.613 8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.008 10.635 6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.412 11.068 7.631 1.00 0.00 H new ATOM 333 N ASP A 23 -2.181 13.594 3.188 1.00 0.00 N ATOM 334 CA ASP A 23 -2.243 14.753 2.305 1.00 0.00 C ATOM 335 C ASP A 23 -3.028 15.889 2.953 1.00 0.00 C ATOM 336 O ASP A 23 -3.571 15.738 4.047 1.00 0.00 O ATOM 337 CB ASP A 23 -2.885 14.370 0.970 1.00 0.00 C ATOM 338 CG ASP A 23 -4.338 13.967 1.121 1.00 0.00 C ATOM 339 OD1 ASP A 23 -4.780 13.756 2.270 1.00 0.00 O ATOM 340 OD2 ASP A 23 -5.035 13.862 0.090 1.00 0.00 O ATOM 0 H ASP A 23 -2.433 12.711 2.744 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.224 15.096 2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.814 15.212 0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.327 13.546 0.525 1.00 0.00 H new ATOM 345 N LYS A 24 -3.082 17.028 2.271 1.00 0.00 N ATOM 346 CA LYS A 24 -3.800 18.191 2.778 1.00 0.00 C ATOM 347 C LYS A 24 -5.282 17.879 2.960 1.00 0.00 C ATOM 348 O LYS A 24 -5.868 18.180 4.000 1.00 0.00 O ATOM 349 CB LYS A 24 -3.630 19.377 1.826 1.00 0.00 C ATOM 350 CG LYS A 24 -4.445 20.596 2.221 1.00 0.00 C ATOM 351 CD LYS A 24 -3.906 21.240 3.488 1.00 0.00 C ATOM 352 CE LYS A 24 -2.739 22.168 3.189 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.374 22.999 4.369 1.00 0.00 N ATOM 0 H LYS A 24 -2.636 17.170 1.365 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.380 18.451 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.576 19.652 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.917 19.069 0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.432 21.322 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.485 20.306 2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.701 21.801 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.586 20.464 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.876 21.578 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.997 22.818 2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.575 23.618 4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.189 23.581 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.103 22.380 5.159 1.00 0.00 H new ATOM 367 N LYS A 25 -5.883 17.274 1.942 1.00 0.00 N ATOM 368 CA LYS A 25 -7.297 16.918 1.989 1.00 0.00 C ATOM 369 C LYS A 25 -7.617 16.127 3.253 1.00 0.00 C ATOM 370 O LYS A 25 -8.708 16.242 3.810 1.00 0.00 O ATOM 371 CB LYS A 25 -7.680 16.101 0.753 1.00 0.00 C ATOM 372 CG LYS A 25 -8.245 16.941 -0.380 1.00 0.00 C ATOM 373 CD LYS A 25 -7.828 16.400 -1.737 1.00 0.00 C ATOM 374 CE LYS A 25 -8.629 17.038 -2.861 1.00 0.00 C ATOM 375 NZ LYS A 25 -7.912 16.963 -4.165 1.00 0.00 N ATOM 0 H LYS A 25 -5.413 17.019 1.073 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.878 17.840 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.800 15.566 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.416 15.349 1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.333 16.959 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.902 17.971 -0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.766 16.587 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.967 15.319 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.594 16.539 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.830 18.081 -2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.491 17.409 -4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.002 17.461 -4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.742 15.967 -4.411 1.00 0.00 H new ATOM 389 N GLY A 26 -6.657 15.324 3.703 1.00 0.00 N ATOM 390 CA GLY A 26 -6.856 14.527 4.899 1.00 0.00 C ATOM 391 C GLY A 26 -6.777 13.039 4.624 1.00 0.00 C ATOM 392 O GLY A 26 -6.555 12.242 5.536 1.00 0.00 O ATOM 0 H GLY A 26 -5.745 15.212 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.104 14.797 5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.829 14.762 5.331 1.00 0.00 H new ATOM 396 N HIS A 27 -6.961 12.661 3.363 1.00 0.00 N ATOM 397 CA HIS A 27 -6.911 11.257 2.970 1.00 0.00 C ATOM 398 C HIS A 27 -5.556 10.645 3.312 1.00 0.00 C ATOM 399 O HIS A 27 -4.530 11.030 2.752 1.00 0.00 O ATOM 400 CB HIS A 27 -7.184 11.115 1.472 1.00 0.00 C ATOM 401 CG HIS A 27 -8.640 11.146 1.123 1.00 0.00 C ATOM 402 ND1 HIS A 27 -9.281 10.112 0.474 1.00 0.00 N ATOM 403 CD2 HIS A 27 -9.582 12.095 1.338 1.00 0.00 C ATOM 404 CE1 HIS A 27 -10.554 10.424 0.304 1.00 0.00 C ATOM 405 NE2 HIS A 27 -10.762 11.622 0.819 1.00 0.00 N ATOM 0 H HIS A 27 -7.146 13.307 2.596 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.682 10.722 3.525 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.674 11.919 0.940 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.754 10.177 1.120 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.433 13.047 1.827 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.298 9.804 -0.175 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.654 12.116 0.830 1.00 0.00 H new ATOM 414 N VAL A 28 -5.560 9.690 4.237 1.00 0.00 N ATOM 415 CA VAL A 28 -4.332 9.025 4.654 1.00 0.00 C ATOM 416 C VAL A 28 -3.738 8.203 3.516 1.00 0.00 C ATOM 417 O VAL A 28 -4.440 7.430 2.862 1.00 0.00 O ATOM 418 CB VAL A 28 -4.575 8.105 5.865 1.00 0.00 C ATOM 419 CG1 VAL A 28 -3.336 7.274 6.162 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.984 8.922 7.081 1.00 0.00 C ATOM 0 H VAL A 28 -6.400 9.360 4.712 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.629 9.808 4.938 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.390 7.423 5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.527 6.630 7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.093 6.660 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.499 7.936 6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.152 8.256 7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.192 9.629 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.902 9.467 6.861 1.00 0.00 H new ATOM 430 N HIS A 29 -2.441 8.373 3.284 1.00 0.00 N ATOM 431 CA HIS A 29 -1.751 7.646 2.224 1.00 0.00 C ATOM 432 C HIS A 29 -0.690 6.716 2.805 1.00 0.00 C ATOM 433 O HIS A 29 -0.091 7.011 3.839 1.00 0.00 O ATOM 434 CB HIS A 29 -1.106 8.623 1.242 1.00 0.00 C ATOM 435 CG HIS A 29 -2.098 9.416 0.447 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.456 9.370 0.678 1.00 0.00 N ATOM 437 CD2 HIS A 29 -1.921 10.279 -0.581 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.073 10.169 -0.174 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.164 10.733 -0.949 1.00 0.00 N ATOM 0 H HIS A 29 -1.846 9.008 3.816 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.487 7.043 1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.464 9.309 1.794 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.465 8.067 0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.978 10.558 -1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.139 10.333 -0.228 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.354 11.398 -1.699 1.00 0.00 H new ATOM 448 N TYR A 30 -0.465 5.591 2.135 1.00 0.00 N ATOM 449 CA TYR A 30 0.521 4.617 2.586 1.00 0.00 C ATOM 450 C TYR A 30 1.460 4.226 1.450 1.00 0.00 C ATOM 451 O TYR A 30 1.032 3.671 0.437 1.00 0.00 O ATOM 452 CB TYR A 30 -0.177 3.372 3.137 1.00 0.00 C ATOM 453 CG TYR A 30 -1.042 3.647 4.346 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.483 3.749 5.615 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.416 3.804 4.221 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.269 4.000 6.723 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.210 4.057 5.323 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.632 4.154 6.572 1.00 0.00 C ATOM 459 OH TYR A 30 -3.419 4.404 7.673 1.00 0.00 O ATOM 0 H TYR A 30 -0.952 5.331 1.277 1.00 0.00 H new ATOM 0 HA TYR A 30 1.111 5.076 3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.793 2.934 2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.577 2.630 3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.584 3.630 5.737 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.872 3.727 3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.819 4.075 7.702 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.277 4.178 5.207 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.851 4.660 8.430 1.00 0.00 H new ATOM 469 N LEU A 31 2.744 4.518 1.626 1.00 0.00 N ATOM 470 CA LEU A 31 3.747 4.197 0.616 1.00 0.00 C ATOM 471 C LEU A 31 3.880 2.688 0.441 1.00 0.00 C ATOM 472 O LEU A 31 4.624 2.031 1.171 1.00 0.00 O ATOM 473 CB LEU A 31 5.100 4.798 1.004 1.00 0.00 C ATOM 474 CG LEU A 31 6.226 4.629 -0.016 1.00 0.00 C ATOM 475 CD1 LEU A 31 5.717 4.902 -1.423 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.392 5.549 0.319 1.00 0.00 C ATOM 0 H LEU A 31 3.115 4.976 2.458 1.00 0.00 H new ATOM 0 HA LEU A 31 3.423 4.627 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.962 5.863 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.418 4.349 1.945 1.00 0.00 H new ATOM 0 HG LEU A 31 6.578 3.598 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.532 4.777 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.916 4.203 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.338 5.922 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.184 5.415 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.054 6.585 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.774 5.306 1.311 1.00 0.00 H new ATOM 488 N ILE A 32 3.157 2.145 -0.532 1.00 0.00 N ATOM 489 CA ILE A 32 3.196 0.713 -0.805 1.00 0.00 C ATOM 490 C ILE A 32 4.348 0.364 -1.742 1.00 0.00 C ATOM 491 O ILE A 32 4.546 1.012 -2.770 1.00 0.00 O ATOM 492 CB ILE A 32 1.876 0.222 -1.428 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.706 0.498 -0.482 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.964 -1.262 -1.752 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.649 0.267 -1.112 1.00 0.00 C ATOM 0 H ILE A 32 2.537 2.675 -1.145 1.00 0.00 H new ATOM 0 HA ILE A 32 3.344 0.213 0.152 1.00 0.00 H new ATOM 0 HB ILE A 32 1.704 0.767 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.802 -0.139 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.765 1.530 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.024 -1.595 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.776 -1.433 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.156 -1.823 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.431 0.482 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.766 0.923 -1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.729 -0.772 -1.433 1.00 0.00 H new ATOM 507 N LYS A 33 5.106 -0.666 -1.380 1.00 0.00 N ATOM 508 CA LYS A 33 6.237 -1.105 -2.188 1.00 0.00 C ATOM 509 C LYS A 33 5.874 -2.340 -3.007 1.00 0.00 C ATOM 510 O LYS A 33 5.914 -3.463 -2.505 1.00 0.00 O ATOM 511 CB LYS A 33 7.442 -1.409 -1.295 1.00 0.00 C ATOM 512 CG LYS A 33 8.550 -2.167 -2.004 1.00 0.00 C ATOM 513 CD LYS A 33 9.385 -2.978 -1.027 1.00 0.00 C ATOM 514 CE LYS A 33 10.605 -2.200 -0.558 1.00 0.00 C ATOM 515 NZ LYS A 33 11.737 -3.102 -0.209 1.00 0.00 N ATOM 0 H LYS A 33 4.957 -1.212 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 33 6.495 -0.298 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.844 -0.472 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.109 -1.990 -0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.117 -2.831 -2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.191 -1.463 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.775 -3.254 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.704 -3.906 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.919 -1.510 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.340 -1.597 0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.549 -2.534 0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.446 -3.744 0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.007 -3.659 -1.045 1.00 0.00 H new ATOM 529 N TRP A 34 5.521 -2.124 -4.269 1.00 0.00 N ATOM 530 CA TRP A 34 5.153 -3.221 -5.157 1.00 0.00 C ATOM 531 C TRP A 34 6.220 -4.309 -5.150 1.00 0.00 C ATOM 532 O TRP A 34 7.280 -4.156 -5.756 1.00 0.00 O ATOM 533 CB TRP A 34 4.945 -2.703 -6.582 1.00 0.00 C ATOM 534 CG TRP A 34 3.929 -1.604 -6.672 1.00 0.00 C ATOM 535 CD1 TRP A 34 4.128 -0.341 -7.152 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.557 -1.671 -6.269 1.00 0.00 C ATOM 537 NE1 TRP A 34 2.962 0.381 -7.072 1.00 0.00 N ATOM 538 CE2 TRP A 34 1.983 -0.412 -6.535 1.00 0.00 C ATOM 539 CE3 TRP A 34 1.756 -2.672 -5.712 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.647 -0.131 -6.261 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.431 -2.391 -5.441 1.00 0.00 C ATOM 542 CH2 TRP A 34 -0.113 -1.129 -5.715 1.00 0.00 C ATOM 0 H TRP A 34 5.482 -1.200 -4.700 1.00 0.00 H new ATOM 0 HA TRP A 34 4.220 -3.651 -4.794 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.896 -2.341 -6.972 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.633 -3.530 -7.220 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.064 0.035 -7.538 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.844 1.351 -7.365 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.166 -3.648 -5.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.226 0.841 -6.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.197 -3.157 -5.010 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.153 -0.941 -5.491 1.00 0.00 H new ATOM 553 N ARG A 35 5.933 -5.409 -4.461 1.00 0.00 N ATOM 554 CA ARG A 35 6.870 -6.523 -4.374 1.00 0.00 C ATOM 555 C ARG A 35 7.667 -6.664 -5.667 1.00 0.00 C ATOM 556 O ARG A 35 8.898 -6.692 -5.649 1.00 0.00 O ATOM 557 CB ARG A 35 6.121 -7.824 -4.080 1.00 0.00 C ATOM 558 CG ARG A 35 5.690 -7.964 -2.629 1.00 0.00 C ATOM 559 CD ARG A 35 5.548 -9.423 -2.228 1.00 0.00 C ATOM 560 NE ARG A 35 6.804 -10.155 -2.372 1.00 0.00 N ATOM 561 CZ ARG A 35 6.941 -11.444 -2.081 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.905 -12.140 -1.633 1.00 0.00 N ATOM 563 NH2 ARG A 35 8.116 -12.039 -2.238 1.00 0.00 N ATOM 0 H ARG A 35 5.059 -5.553 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 35 7.565 -6.319 -3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.240 -7.878 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.758 -8.668 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.421 -7.478 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.740 -7.450 -2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.210 -9.483 -1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.781 -9.895 -2.842 1.00 0.00 H new ATOM 0 HE ARG A 35 7.620 -9.649 -2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.000 -11.686 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.013 -13.130 -1.410 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.915 -11.507 -2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.220 -13.029 -2.014 1.00 0.00 H new ATOM 577 N ASP A 36 6.958 -6.753 -6.787 1.00 0.00 N ATOM 578 CA ASP A 36 7.600 -6.890 -8.090 1.00 0.00 C ATOM 579 C ASP A 36 8.669 -5.820 -8.284 1.00 0.00 C ATOM 580 O ASP A 36 9.772 -6.106 -8.751 1.00 0.00 O ATOM 581 CB ASP A 36 6.559 -6.798 -9.207 1.00 0.00 C ATOM 582 CG ASP A 36 7.168 -6.986 -10.582 1.00 0.00 C ATOM 583 OD1 ASP A 36 8.220 -6.370 -10.854 1.00 0.00 O ATOM 584 OD2 ASP A 36 6.593 -7.749 -11.387 1.00 0.00 O ATOM 0 H ASP A 36 5.939 -6.733 -6.819 1.00 0.00 H new ATOM 0 HA ASP A 36 8.079 -7.868 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.790 -7.554 -9.047 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.066 -5.827 -9.161 1.00 0.00 H new ATOM 589 N LEU A 37 8.335 -4.585 -7.925 1.00 0.00 N ATOM 590 CA LEU A 37 9.267 -3.470 -8.061 1.00 0.00 C ATOM 591 C LEU A 37 10.103 -3.302 -6.797 1.00 0.00 C ATOM 592 O LEU A 37 9.682 -3.650 -5.693 1.00 0.00 O ATOM 593 CB LEU A 37 8.505 -2.177 -8.358 1.00 0.00 C ATOM 594 CG LEU A 37 7.649 -2.179 -9.625 1.00 0.00 C ATOM 595 CD1 LEU A 37 6.833 -0.898 -9.719 1.00 0.00 C ATOM 596 CD2 LEU A 37 8.522 -2.349 -10.859 1.00 0.00 C ATOM 0 H LEU A 37 7.426 -4.330 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 37 9.938 -3.688 -8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.860 -1.956 -7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.226 -1.363 -8.432 1.00 0.00 H new ATOM 0 HG LEU A 37 6.960 -3.022 -9.574 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.230 -0.917 -10.627 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.179 -0.819 -8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.505 -0.040 -9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.895 -2.348 -11.751 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.236 -1.527 -10.916 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.062 -3.294 -10.796 1.00 0.00 H new ATOM 608 N PRO A 38 11.317 -2.755 -6.958 1.00 0.00 N ATOM 609 CA PRO A 38 12.237 -2.525 -5.841 1.00 0.00 C ATOM 610 C PRO A 38 11.754 -1.418 -4.910 1.00 0.00 C ATOM 611 O PRO A 38 10.620 -0.952 -5.020 1.00 0.00 O ATOM 612 CB PRO A 38 13.539 -2.112 -6.532 1.00 0.00 C ATOM 613 CG PRO A 38 13.109 -1.544 -7.840 1.00 0.00 C ATOM 614 CD PRO A 38 11.884 -2.317 -8.245 1.00 0.00 C ATOM 0 HA PRO A 38 12.336 -3.406 -5.207 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.085 -1.376 -5.941 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.202 -2.966 -6.670 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.887 -0.481 -7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.897 -1.643 -8.586 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.183 -1.696 -8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.136 -3.164 -8.883 1.00 0.00 H new ATOM 622 N TYR A 39 12.621 -1.002 -3.993 1.00 0.00 N ATOM 623 CA TYR A 39 12.281 0.049 -3.042 1.00 0.00 C ATOM 624 C TYR A 39 12.425 1.428 -3.679 1.00 0.00 C ATOM 625 O TYR A 39 11.732 2.373 -3.303 1.00 0.00 O ATOM 626 CB TYR A 39 13.173 -0.049 -1.802 1.00 0.00 C ATOM 627 CG TYR A 39 12.841 0.972 -0.737 1.00 0.00 C ATOM 628 CD1 TYR A 39 11.619 0.943 -0.076 1.00 0.00 C ATOM 629 CD2 TYR A 39 13.750 1.964 -0.391 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.312 1.873 0.898 1.00 0.00 C ATOM 631 CE2 TYR A 39 13.452 2.898 0.583 1.00 0.00 C ATOM 632 CZ TYR A 39 12.232 2.848 1.224 1.00 0.00 C ATOM 633 OH TYR A 39 11.930 3.777 2.194 1.00 0.00 O ATOM 0 H TYR A 39 13.564 -1.377 -3.889 1.00 0.00 H new ATOM 0 HA TYR A 39 11.241 -0.087 -2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.082 -1.048 -1.377 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.213 0.076 -2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 39 10.897 0.180 -0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.706 2.006 -0.892 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.357 1.837 1.401 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.170 3.662 0.841 1.00 0.00 H new ATOM 0 HH TYR A 39 12.685 4.392 2.304 1.00 0.00 H new ATOM 643 N ASP A 40 13.331 1.534 -4.645 1.00 0.00 N ATOM 644 CA ASP A 40 13.566 2.796 -5.337 1.00 0.00 C ATOM 645 C ASP A 40 12.515 3.027 -6.418 1.00 0.00 C ATOM 646 O ASP A 40 12.547 4.037 -7.121 1.00 0.00 O ATOM 647 CB ASP A 40 14.965 2.809 -5.956 1.00 0.00 C ATOM 648 CG ASP A 40 16.012 2.216 -5.034 1.00 0.00 C ATOM 649 OD1 ASP A 40 15.818 2.274 -3.802 1.00 0.00 O ATOM 650 OD2 ASP A 40 17.026 1.695 -5.544 1.00 0.00 O ATOM 0 H ASP A 40 13.914 0.762 -4.966 1.00 0.00 H new ATOM 0 HA ASP A 40 13.493 3.602 -4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.950 2.250 -6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.241 3.834 -6.202 1.00 0.00 H new ATOM 655 N GLN A 41 11.587 2.085 -6.545 1.00 0.00 N ATOM 656 CA GLN A 41 10.528 2.186 -7.542 1.00 0.00 C ATOM 657 C GLN A 41 9.157 2.243 -6.876 1.00 0.00 C ATOM 658 O GLN A 41 8.139 2.421 -7.544 1.00 0.00 O ATOM 659 CB GLN A 41 10.591 1.000 -8.506 1.00 0.00 C ATOM 660 CG GLN A 41 11.654 1.147 -9.583 1.00 0.00 C ATOM 661 CD GLN A 41 11.427 0.217 -10.758 1.00 0.00 C ATOM 662 OE1 GLN A 41 10.537 -0.634 -10.729 1.00 0.00 O ATOM 663 NE2 GLN A 41 12.232 0.374 -11.802 1.00 0.00 N ATOM 0 H GLN A 41 11.547 1.243 -5.970 1.00 0.00 H new ATOM 0 HA GLN A 41 10.678 3.109 -8.102 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.785 0.090 -7.938 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.618 0.877 -8.982 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.666 2.178 -9.938 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.634 0.947 -9.150 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.956 1.092 -11.784 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.126 -0.223 -12.622 1.00 0.00 H new ATOM 672 N ALA A 42 9.139 2.089 -5.556 1.00 0.00 N ATOM 673 CA ALA A 42 7.893 2.125 -4.800 1.00 0.00 C ATOM 674 C ALA A 42 7.013 3.287 -5.247 1.00 0.00 C ATOM 675 O ALA A 42 7.510 4.307 -5.724 1.00 0.00 O ATOM 676 CB ALA A 42 8.184 2.222 -3.310 1.00 0.00 C ATOM 0 H ALA A 42 9.973 1.938 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 42 7.351 1.199 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.245 2.248 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.766 1.356 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.749 3.132 -3.108 1.00 0.00 H new ATOM 682 N SER A 43 5.703 3.125 -5.089 1.00 0.00 N ATOM 683 CA SER A 43 4.753 4.160 -5.481 1.00 0.00 C ATOM 684 C SER A 43 3.775 4.456 -4.348 1.00 0.00 C ATOM 685 O SER A 43 3.347 3.552 -3.631 1.00 0.00 O ATOM 686 CB SER A 43 3.986 3.730 -6.733 1.00 0.00 C ATOM 687 OG SER A 43 3.564 4.855 -7.484 1.00 0.00 O ATOM 0 H SER A 43 5.276 2.288 -4.693 1.00 0.00 H new ATOM 0 HA SER A 43 5.313 5.069 -5.701 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.620 3.093 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.119 3.135 -6.446 1.00 0.00 H new ATOM 0 HG SER A 43 3.078 4.553 -8.280 1.00 0.00 H new ATOM 693 N TRP A 44 3.426 5.728 -4.194 1.00 0.00 N ATOM 694 CA TRP A 44 2.498 6.145 -3.148 1.00 0.00 C ATOM 695 C TRP A 44 1.065 5.778 -3.514 1.00 0.00 C ATOM 696 O TRP A 44 0.569 6.160 -4.573 1.00 0.00 O ATOM 697 CB TRP A 44 2.608 7.652 -2.912 1.00 0.00 C ATOM 698 CG TRP A 44 3.652 8.021 -1.903 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.868 8.592 -2.152 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.574 7.843 -0.484 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.550 8.779 -0.974 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.778 8.329 0.063 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.605 7.322 0.377 1.00 0.00 C ATOM 704 CZ2 TRP A 44 5.035 8.307 1.432 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.861 7.301 1.734 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.068 7.791 2.251 1.00 0.00 C ATOM 0 H TRP A 44 3.771 6.489 -4.780 1.00 0.00 H new ATOM 0 HA TRP A 44 2.764 5.620 -2.230 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.836 8.145 -3.857 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.642 8.032 -2.580 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.239 8.857 -3.131 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.481 9.187 -0.886 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.672 6.942 -0.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.964 8.684 1.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.119 6.900 2.408 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.238 7.761 3.317 1.00 0.00 H new ATOM 717 N GLU A 45 0.405 5.034 -2.632 1.00 0.00 N ATOM 718 CA GLU A 45 -0.972 4.615 -2.865 1.00 0.00 C ATOM 719 C GLU A 45 -1.860 4.978 -1.677 1.00 0.00 C ATOM 720 O GLU A 45 -1.650 4.498 -0.563 1.00 0.00 O ATOM 721 CB GLU A 45 -1.035 3.108 -3.121 1.00 0.00 C ATOM 722 CG GLU A 45 -0.065 2.631 -4.189 1.00 0.00 C ATOM 723 CD GLU A 45 -0.342 3.248 -5.546 1.00 0.00 C ATOM 724 OE1 GLU A 45 -1.524 3.517 -5.845 1.00 0.00 O ATOM 725 OE2 GLU A 45 0.624 3.462 -6.308 1.00 0.00 O ATOM 0 H GLU A 45 0.801 4.709 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.340 5.141 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.825 2.581 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.049 2.840 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.953 2.874 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.123 1.545 -4.269 1.00 0.00 H new ATOM 732 N SER A 46 -2.850 5.829 -1.925 1.00 0.00 N ATOM 733 CA SER A 46 -3.767 6.260 -0.876 1.00 0.00 C ATOM 734 C SER A 46 -4.394 5.059 -0.174 1.00 0.00 C ATOM 735 O SER A 46 -4.070 3.911 -0.479 1.00 0.00 O ATOM 736 CB SER A 46 -4.864 7.151 -1.462 1.00 0.00 C ATOM 737 OG SER A 46 -5.852 7.449 -0.492 1.00 0.00 O ATOM 0 H SER A 46 -3.038 6.234 -2.842 1.00 0.00 H new ATOM 0 HA SER A 46 -3.197 6.831 -0.143 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.425 8.077 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.326 6.652 -2.314 1.00 0.00 H new ATOM 0 HG SER A 46 -6.540 8.021 -0.891 1.00 0.00 H new ATOM 743 N GLU A 47 -5.291 5.333 0.767 1.00 0.00 N ATOM 744 CA GLU A 47 -5.963 4.275 1.513 1.00 0.00 C ATOM 745 C GLU A 47 -7.316 3.945 0.890 1.00 0.00 C ATOM 746 O GLU A 47 -8.130 3.239 1.486 1.00 0.00 O ATOM 747 CB GLU A 47 -6.148 4.689 2.974 1.00 0.00 C ATOM 748 CG GLU A 47 -7.153 5.813 3.165 1.00 0.00 C ATOM 749 CD GLU A 47 -7.810 5.782 4.532 1.00 0.00 C ATOM 750 OE1 GLU A 47 -7.103 6.005 5.536 1.00 0.00 O ATOM 751 OE2 GLU A 47 -9.032 5.534 4.596 1.00 0.00 O ATOM 0 H GLU A 47 -5.570 6.278 1.031 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.337 3.383 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.471 3.822 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.185 5.001 3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.651 6.771 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.921 5.743 2.395 1.00 0.00 H new ATOM 758 N ASP A 48 -7.550 4.463 -0.310 1.00 0.00 N ATOM 759 CA ASP A 48 -8.805 4.224 -1.015 1.00 0.00 C ATOM 760 C ASP A 48 -8.656 3.085 -2.019 1.00 0.00 C ATOM 761 O ASP A 48 -9.627 2.405 -2.351 1.00 0.00 O ATOM 762 CB ASP A 48 -9.262 5.495 -1.731 1.00 0.00 C ATOM 763 CG ASP A 48 -10.553 5.294 -2.501 1.00 0.00 C ATOM 764 OD1 ASP A 48 -11.541 4.832 -1.893 1.00 0.00 O ATOM 765 OD2 ASP A 48 -10.575 5.598 -3.712 1.00 0.00 O ATOM 0 H ASP A 48 -6.888 5.051 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.558 3.940 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.399 6.291 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.481 5.823 -2.417 1.00 0.00 H new ATOM 770 N VAL A 49 -7.433 2.883 -2.500 1.00 0.00 N ATOM 771 CA VAL A 49 -7.157 1.826 -3.466 1.00 0.00 C ATOM 772 C VAL A 49 -7.444 0.451 -2.874 1.00 0.00 C ATOM 773 O VAL A 49 -7.161 0.197 -1.704 1.00 0.00 O ATOM 774 CB VAL A 49 -5.693 1.872 -3.944 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.455 3.092 -4.820 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.745 1.866 -2.755 1.00 0.00 C ATOM 0 H VAL A 49 -6.618 3.437 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.816 1.996 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.496 0.982 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.416 3.107 -5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.110 3.048 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.669 3.996 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.715 1.899 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.941 2.737 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.899 0.958 -2.172 1.00 0.00 H new ATOM 786 N GLU A 50 -8.008 -0.433 -3.691 1.00 0.00 N ATOM 787 CA GLU A 50 -8.334 -1.783 -3.247 1.00 0.00 C ATOM 788 C GLU A 50 -7.223 -2.761 -3.618 1.00 0.00 C ATOM 789 O GLU A 50 -6.992 -3.036 -4.796 1.00 0.00 O ATOM 790 CB GLU A 50 -9.658 -2.241 -3.863 1.00 0.00 C ATOM 791 CG GLU A 50 -9.633 -2.304 -5.381 1.00 0.00 C ATOM 792 CD GLU A 50 -11.022 -2.292 -5.988 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.812 -1.387 -5.643 1.00 0.00 O ATOM 794 OE2 GLU A 50 -11.321 -3.185 -6.808 1.00 0.00 O ATOM 0 H GLU A 50 -8.248 -0.239 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.433 -1.767 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.910 -3.226 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.450 -1.561 -3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.065 -1.458 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.111 -3.208 -5.695 1.00 0.00 H new ATOM 801 N ILE A 51 -6.538 -3.281 -2.605 1.00 0.00 N ATOM 802 CA ILE A 51 -5.452 -4.228 -2.825 1.00 0.00 C ATOM 803 C ILE A 51 -5.597 -5.450 -1.923 1.00 0.00 C ATOM 804 O ILE A 51 -6.042 -5.340 -0.781 1.00 0.00 O ATOM 805 CB ILE A 51 -4.079 -3.578 -2.572 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.951 -2.279 -3.370 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.961 -4.543 -2.939 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.961 -1.301 -2.777 1.00 0.00 C ATOM 0 H ILE A 51 -6.716 -3.063 -1.625 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.511 -4.540 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.995 -3.341 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.648 -2.517 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.929 -1.802 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.997 -4.070 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.045 -5.444 -2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.040 -4.807 -3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.922 -0.404 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.274 -1.034 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.973 -1.760 -2.741 1.00 0.00 H new ATOM 820 N GLN A 52 -5.217 -6.612 -2.444 1.00 0.00 N ATOM 821 CA GLN A 52 -5.304 -7.854 -1.685 1.00 0.00 C ATOM 822 C GLN A 52 -4.617 -7.713 -0.331 1.00 0.00 C ATOM 823 O GLN A 52 -3.432 -7.389 -0.255 1.00 0.00 O ATOM 824 CB GLN A 52 -4.673 -9.003 -2.473 1.00 0.00 C ATOM 825 CG GLN A 52 -5.302 -10.356 -2.185 1.00 0.00 C ATOM 826 CD GLN A 52 -4.623 -11.487 -2.932 1.00 0.00 C ATOM 827 OE1 GLN A 52 -4.967 -11.785 -4.076 1.00 0.00 O ATOM 828 NE2 GLN A 52 -3.652 -12.124 -2.287 1.00 0.00 N ATOM 0 H GLN A 52 -4.846 -6.719 -3.388 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.358 -8.074 -1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.759 -8.791 -3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.609 -9.050 -2.242 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.255 -10.553 -1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.357 -10.327 -2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.400 -11.843 -1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.159 -12.894 -2.739 1.00 0.00 H new ATOM 837 N ASP A 53 -5.370 -7.959 0.736 1.00 0.00 N ATOM 838 CA ASP A 53 -4.833 -7.860 2.089 1.00 0.00 C ATOM 839 C ASP A 53 -4.215 -6.486 2.330 1.00 0.00 C ATOM 840 O ASP A 53 -3.150 -6.371 2.936 1.00 0.00 O ATOM 841 CB ASP A 53 -3.789 -8.952 2.327 1.00 0.00 C ATOM 842 CG ASP A 53 -4.411 -10.327 2.470 1.00 0.00 C ATOM 843 OD1 ASP A 53 -5.016 -10.809 1.490 1.00 0.00 O ATOM 844 OD2 ASP A 53 -4.293 -10.921 3.562 1.00 0.00 O ATOM 0 H ASP A 53 -6.353 -8.228 0.691 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.656 -7.996 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.082 -8.961 1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.221 -8.718 3.228 1.00 0.00 H new ATOM 849 N TYR A 54 -4.890 -5.448 1.850 1.00 0.00 N ATOM 850 CA TYR A 54 -4.406 -4.082 2.010 1.00 0.00 C ATOM 851 C TYR A 54 -4.533 -3.625 3.460 1.00 0.00 C ATOM 852 O TYR A 54 -3.640 -2.969 3.997 1.00 0.00 O ATOM 853 CB TYR A 54 -5.181 -3.133 1.095 1.00 0.00 C ATOM 854 CG TYR A 54 -4.617 -1.730 1.059 1.00 0.00 C ATOM 855 CD1 TYR A 54 -3.384 -1.442 1.629 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.318 -0.694 0.453 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.865 -0.162 1.599 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.806 0.589 0.417 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.580 0.850 0.992 1.00 0.00 C ATOM 860 OH TYR A 54 -3.066 2.126 0.959 1.00 0.00 O ATOM 0 H TYR A 54 -5.774 -5.526 1.347 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.352 -4.063 1.733 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.185 -3.540 0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.219 -3.090 1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.821 -2.232 2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.279 -0.895 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.905 0.045 2.048 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.363 1.383 -0.059 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.582 2.670 0.328 1.00 0.00 H new ATOM 870 N ASP A 55 -5.650 -3.976 4.088 1.00 0.00 N ATOM 871 CA ASP A 55 -5.895 -3.605 5.477 1.00 0.00 C ATOM 872 C ASP A 55 -4.929 -4.326 6.411 1.00 0.00 C ATOM 873 O ASP A 55 -4.438 -3.747 7.382 1.00 0.00 O ATOM 874 CB ASP A 55 -7.338 -3.929 5.867 1.00 0.00 C ATOM 875 CG ASP A 55 -8.335 -3.488 4.813 1.00 0.00 C ATOM 876 OD1 ASP A 55 -8.557 -2.267 4.681 1.00 0.00 O ATOM 877 OD2 ASP A 55 -8.894 -4.365 4.121 1.00 0.00 O ATOM 0 H ASP A 55 -6.400 -4.517 3.657 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.733 -2.532 5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.435 -5.003 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.574 -3.441 6.813 1.00 0.00 H new ATOM 882 N LEU A 56 -4.660 -5.593 6.114 1.00 0.00 N ATOM 883 CA LEU A 56 -3.753 -6.394 6.927 1.00 0.00 C ATOM 884 C LEU A 56 -2.447 -5.648 7.183 1.00 0.00 C ATOM 885 O LEU A 56 -2.056 -5.435 8.331 1.00 0.00 O ATOM 886 CB LEU A 56 -3.464 -7.729 6.239 1.00 0.00 C ATOM 887 CG LEU A 56 -4.597 -8.755 6.262 1.00 0.00 C ATOM 888 CD1 LEU A 56 -4.480 -9.655 7.482 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.949 -8.057 6.240 1.00 0.00 C ATOM 0 H LEU A 56 -5.058 -6.087 5.315 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.236 -6.583 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.202 -7.530 5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.587 -8.175 6.709 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.516 -9.376 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.295 -10.378 7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.527 -10.183 7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.534 -9.050 8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.744 -8.803 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.039 -7.411 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.034 -7.457 5.334 1.00 0.00 H new ATOM 901 N PHE A 57 -1.778 -5.250 6.106 1.00 0.00 N ATOM 902 CA PHE A 57 -0.517 -4.526 6.214 1.00 0.00 C ATOM 903 C PHE A 57 -0.669 -3.299 7.107 1.00 0.00 C ATOM 904 O PHE A 57 -0.009 -3.182 8.140 1.00 0.00 O ATOM 905 CB PHE A 57 -0.027 -4.104 4.827 1.00 0.00 C ATOM 906 CG PHE A 57 0.638 -5.213 4.063 1.00 0.00 C ATOM 907 CD1 PHE A 57 -0.092 -6.310 3.633 1.00 0.00 C ATOM 908 CD2 PHE A 57 1.992 -5.159 3.775 1.00 0.00 C ATOM 909 CE1 PHE A 57 0.517 -7.332 2.929 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.606 -6.178 3.071 1.00 0.00 C ATOM 911 CZ PHE A 57 1.867 -7.267 2.649 1.00 0.00 C ATOM 0 H PHE A 57 -2.088 -5.417 5.149 1.00 0.00 H new ATOM 0 HA PHE A 57 0.218 -5.192 6.665 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.873 -3.732 4.249 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.674 -3.276 4.934 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.148 -6.367 3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.574 -4.311 4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.063 -8.181 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.662 -6.123 2.851 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.345 -8.066 2.101 1.00 0.00 H new ATOM 921 N LYS A 58 -1.545 -2.384 6.702 1.00 0.00 N ATOM 922 CA LYS A 58 -1.786 -1.165 7.464 1.00 0.00 C ATOM 923 C LYS A 58 -2.065 -1.485 8.929 1.00 0.00 C ATOM 924 O LYS A 58 -1.630 -0.762 9.825 1.00 0.00 O ATOM 925 CB LYS A 58 -2.964 -0.391 6.868 1.00 0.00 C ATOM 926 CG LYS A 58 -2.824 -0.124 5.379 1.00 0.00 C ATOM 927 CD LYS A 58 -4.175 -0.128 4.683 1.00 0.00 C ATOM 928 CE LYS A 58 -4.788 1.264 4.649 1.00 0.00 C ATOM 929 NZ LYS A 58 -5.555 1.562 5.889 1.00 0.00 N ATOM 0 H LYS A 58 -2.100 -2.465 5.850 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.888 -0.549 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.882 -0.951 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.066 0.560 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.337 0.839 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.181 -0.882 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.060 -0.501 3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.849 -0.811 5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.999 2.005 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.447 1.350 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.957 2.519 5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.324 0.870 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.921 1.505 6.711 1.00 0.00 H new ATOM 943 N GLN A 59 -2.791 -2.574 9.165 1.00 0.00 N ATOM 944 CA GLN A 59 -3.126 -2.989 10.522 1.00 0.00 C ATOM 945 C GLN A 59 -1.865 -3.291 11.326 1.00 0.00 C ATOM 946 O GLN A 59 -1.714 -2.831 12.458 1.00 0.00 O ATOM 947 CB GLN A 59 -4.033 -4.220 10.492 1.00 0.00 C ATOM 948 CG GLN A 59 -4.333 -4.789 11.869 1.00 0.00 C ATOM 949 CD GLN A 59 -3.250 -5.728 12.362 1.00 0.00 C ATOM 950 OE1 GLN A 59 -2.588 -5.459 13.365 1.00 0.00 O ATOM 951 NE2 GLN A 59 -3.063 -6.838 11.658 1.00 0.00 N ATOM 0 H GLN A 59 -3.158 -3.184 8.434 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.655 -2.168 11.006 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.972 -3.957 10.004 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.563 -4.993 9.883 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.449 -3.970 12.579 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.284 -5.321 11.839 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.634 -7.021 10.833 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.348 -7.508 11.942 1.00 0.00 H new ATOM 960 N SER A 60 -0.963 -4.066 10.733 1.00 0.00 N ATOM 961 CA SER A 60 0.283 -4.433 11.396 1.00 0.00 C ATOM 962 C SER A 60 1.194 -3.219 11.550 1.00 0.00 C ATOM 963 O SER A 60 1.504 -2.798 12.665 1.00 0.00 O ATOM 964 CB SER A 60 1.002 -5.528 10.607 1.00 0.00 C ATOM 965 OG SER A 60 2.029 -6.124 11.381 1.00 0.00 O ATOM 0 H SER A 60 -1.071 -4.452 9.795 1.00 0.00 H new ATOM 0 HA SER A 60 0.040 -4.811 12.389 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.285 -6.290 10.300 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.427 -5.105 9.697 1.00 0.00 H new ATOM 0 HG SER A 60 2.472 -6.822 10.855 1.00 0.00 H new ATOM 971 N TYR A 61 1.621 -2.661 10.422 1.00 0.00 N ATOM 972 CA TYR A 61 2.499 -1.497 10.429 1.00 0.00 C ATOM 973 C TYR A 61 2.150 -0.559 11.580 1.00 0.00 C ATOM 974 O TYR A 61 3.022 -0.140 12.341 1.00 0.00 O ATOM 975 CB TYR A 61 2.400 -0.749 9.099 1.00 0.00 C ATOM 976 CG TYR A 61 3.208 0.528 9.061 1.00 0.00 C ATOM 977 CD1 TYR A 61 2.659 1.733 9.480 1.00 0.00 C ATOM 978 CD2 TYR A 61 4.521 0.530 8.605 1.00 0.00 C ATOM 979 CE1 TYR A 61 3.393 2.903 9.447 1.00 0.00 C ATOM 980 CE2 TYR A 61 5.262 1.695 8.569 1.00 0.00 C ATOM 981 CZ TYR A 61 4.694 2.879 8.991 1.00 0.00 C ATOM 982 OH TYR A 61 5.429 4.041 8.956 1.00 0.00 O ATOM 0 H TYR A 61 1.373 -2.996 9.491 1.00 0.00 H new ATOM 0 HA TYR A 61 3.522 -1.846 10.566 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.736 -1.406 8.297 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.354 -0.513 8.901 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.640 1.756 9.838 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.969 -0.395 8.273 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.950 3.831 9.777 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.281 1.679 8.212 1.00 0.00 H new ATOM 0 HH TYR A 61 6.326 3.851 8.610 1.00 0.00 H new ATOM 992 N TRP A 62 0.868 -0.234 11.701 1.00 0.00 N ATOM 993 CA TRP A 62 0.401 0.655 12.760 1.00 0.00 C ATOM 994 C TRP A 62 0.878 0.173 14.125 1.00 0.00 C ATOM 995 O TRP A 62 1.527 0.913 14.863 1.00 0.00 O ATOM 996 CB TRP A 62 -1.125 0.745 12.742 1.00 0.00 C ATOM 997 CG TRP A 62 -1.645 1.856 11.880 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.599 1.762 10.908 1.00 0.00 C ATOM 999 CD2 TRP A 62 -1.237 3.228 11.913 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.808 2.993 10.334 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -1.986 3.909 10.933 1.00 0.00 C ATOM 1002 CE3 TRP A 62 -0.313 3.948 12.676 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -1.837 5.273 10.698 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 -0.166 5.302 12.440 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -0.925 5.953 11.459 1.00 0.00 C ATOM 0 H TRP A 62 0.133 -0.572 11.080 1.00 0.00 H new ATOM 0 HA TRP A 62 0.819 1.646 12.579 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.533 -0.201 12.388 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.485 0.886 13.761 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -3.114 0.854 10.631 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -3.469 3.192 9.583 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.275 3.455 13.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -2.421 5.777 9.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.546 5.868 13.022 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.788 7.012 11.300 1.00 0.00 H new ATOM 1016 N ASN A 63 0.553 -1.073 14.455 1.00 0.00 N ATOM 1017 CA ASN A 63 0.949 -1.654 15.733 1.00 0.00 C ATOM 1018 C ASN A 63 2.465 -1.808 15.814 1.00 0.00 C ATOM 1019 O ASN A 63 3.116 -1.206 16.669 1.00 0.00 O ATOM 1020 CB ASN A 63 0.276 -3.014 15.929 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.215 -2.890 16.177 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -1.644 -2.425 17.233 1.00 0.00 O ATOM 1023 ND2 ASN A 63 -2.013 -3.308 15.201 1.00 0.00 N ATOM 0 H ASN A 63 0.017 -1.700 13.855 1.00 0.00 H new ATOM 0 HA ASN A 63 0.627 -0.979 16.526 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.445 -3.631 15.046 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.740 -3.528 16.771 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.026 -3.250 15.310 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.613 -3.687 14.342 1.00 0.00 H new ATOM 1030 N HIS A 64 3.021 -2.617 14.919 1.00 0.00 N ATOM 1031 CA HIS A 64 4.461 -2.850 14.888 1.00 0.00 C ATOM 1032 C HIS A 64 5.047 -2.446 13.539 1.00 0.00 C ATOM 1033 O HIS A 64 4.858 -3.137 12.537 1.00 0.00 O ATOM 1034 CB HIS A 64 4.767 -4.321 15.171 1.00 0.00 C ATOM 1035 CG HIS A 64 4.656 -4.688 16.618 1.00 0.00 C ATOM 1036 ND1 HIS A 64 5.727 -5.128 17.367 1.00 0.00 N ATOM 1037 CD2 HIS A 64 3.593 -4.678 17.456 1.00 0.00 C ATOM 1038 CE1 HIS A 64 5.327 -5.374 18.602 1.00 0.00 C ATOM 1039 NE2 HIS A 64 4.036 -5.108 18.682 1.00 0.00 N ATOM 0 H HIS A 64 2.497 -3.123 14.205 1.00 0.00 H new ATOM 0 HA HIS A 64 4.921 -2.236 15.662 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.084 -4.943 14.593 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.775 -4.547 14.824 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.584 -4.386 17.206 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.950 -5.732 19.409 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.461 -5.206 19.519 1.00 0.00 H new TER 1048 HIS A 64