USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 705 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 78 GLN : amide:sc= 0.104 K(o=-1.1,f=-2.2) USER MOD Set 1.2: A 82 ASN : amide:sc= -1.17 X(o=-1.1,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0509 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 9 THR OG1 : rot 180:sc= -0.0586 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 57:sc= 0.0477 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= -0.0141 (180deg=-0.0141) USER MOD Single : A 23 ASN : amide:sc= -0.0145 X(o=-0.015,f=-0.015) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= 0 (180deg=-7.02e-05) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 30:sc= -0.489 USER MOD Single : A 37 THR OG1 : rot 28:sc= 0.183 USER MOD Single : A 38 GLN : amide:sc= -0.0679 K(o=-0.068,f=-1.2!) USER MOD Single : A 39 MET CE :methyl -179:sc= 0 (180deg=-0.00443) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= 0.587 (180deg=0.118) USER MOD Single : A 45 ASN : amide:sc= -0.0242 K(o=-0.024,f=-0.69) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 147:sc= -0.083 (180deg=-0.867) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0223 (180deg=-0.222) USER MOD Single : A 59 MET CE :methyl 179:sc= -2.33! (180deg=-2.38!) USER MOD Single : A 60 LYS NZ :NH3+ 168:sc=-0.00486 (180deg=-0.131) USER MOD Single : A 61 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 66 MET CE :methyl 145:sc= -0.587 (180deg=-4.41!) USER MOD Single : A 67 TYR OH : rot 110:sc= 0.0487 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 1.62 (180deg=1.52) USER MOD Single : A 85 CYS SG : rot 66:sc= 0.918 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.486 -0.938 22.429 1.00 0.00 N ATOM 2 CA GLY A 1 14.445 -1.752 23.030 1.00 0.00 C ATOM 3 C GLY A 1 13.169 -1.757 22.213 1.00 0.00 C ATOM 4 O GLY A 1 12.549 -0.712 22.011 1.00 0.00 O ATOM 0 H1 GLY A 1 16.337 -0.967 23.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.713 -1.307 21.483 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.155 0.044 22.347 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.806 -2.775 23.140 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.230 -1.380 24.032 1.00 0.00 H new ATOM 8 N SER A 2 12.774 -2.934 21.740 1.00 0.00 N ATOM 9 CA SER A 2 11.565 -3.069 20.935 1.00 0.00 C ATOM 10 C SER A 2 10.355 -3.361 21.818 1.00 0.00 C ATOM 11 O SER A 2 10.497 -3.812 22.954 1.00 0.00 O ATOM 12 CB SER A 2 11.737 -4.184 19.901 1.00 0.00 C ATOM 13 OG SER A 2 12.466 -5.272 20.441 1.00 0.00 O ATOM 0 H SER A 2 13.274 -3.809 21.900 1.00 0.00 H new ATOM 0 HA SER A 2 11.396 -2.125 20.416 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.758 -4.528 19.567 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.255 -3.795 19.024 1.00 0.00 H new ATOM 0 HG SER A 2 12.561 -5.972 19.761 1.00 0.00 H new ATOM 19 N SER A 3 9.166 -3.101 21.285 1.00 0.00 N ATOM 20 CA SER A 3 7.930 -3.331 22.024 1.00 0.00 C ATOM 21 C SER A 3 7.085 -4.406 21.347 1.00 0.00 C ATOM 22 O SER A 3 5.856 -4.355 21.378 1.00 0.00 O ATOM 23 CB SER A 3 7.130 -2.033 22.138 1.00 0.00 C ATOM 24 OG SER A 3 6.677 -1.599 20.868 1.00 0.00 O ATOM 0 H SER A 3 9.032 -2.731 20.344 1.00 0.00 H new ATOM 0 HA SER A 3 8.192 -3.676 23.024 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.277 -2.185 22.799 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.750 -1.259 22.590 1.00 0.00 H new ATOM 0 HG SER A 3 6.167 -0.768 20.969 1.00 0.00 H new ATOM 30 N GLY A 4 7.753 -5.378 20.735 1.00 0.00 N ATOM 31 CA GLY A 4 7.049 -6.451 20.058 1.00 0.00 C ATOM 32 C GLY A 4 6.418 -7.432 21.027 1.00 0.00 C ATOM 33 O GLY A 4 6.553 -7.289 22.242 1.00 0.00 O ATOM 0 H GLY A 4 8.770 -5.442 20.696 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.274 -6.027 19.419 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.743 -6.983 19.407 1.00 0.00 H new ATOM 37 N SER A 5 5.726 -8.431 20.489 1.00 0.00 N ATOM 38 CA SER A 5 5.067 -9.436 21.314 1.00 0.00 C ATOM 39 C SER A 5 6.010 -10.598 21.611 1.00 0.00 C ATOM 40 O SER A 5 6.085 -11.561 20.848 1.00 0.00 O ATOM 41 CB SER A 5 3.806 -9.953 20.618 1.00 0.00 C ATOM 42 OG SER A 5 2.893 -8.898 20.368 1.00 0.00 O ATOM 0 H SER A 5 5.607 -8.566 19.485 1.00 0.00 H new ATOM 0 HA SER A 5 4.786 -8.968 22.257 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.077 -10.434 19.678 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.329 -10.712 21.239 1.00 0.00 H new ATOM 0 HG SER A 5 2.097 -9.254 19.921 1.00 0.00 H new ATOM 48 N SER A 6 6.728 -10.500 22.726 1.00 0.00 N ATOM 49 CA SER A 6 7.669 -11.540 23.123 1.00 0.00 C ATOM 50 C SER A 6 6.950 -12.681 23.836 1.00 0.00 C ATOM 51 O SER A 6 5.972 -12.463 24.550 1.00 0.00 O ATOM 52 CB SER A 6 8.752 -10.957 24.034 1.00 0.00 C ATOM 53 OG SER A 6 9.951 -11.707 23.945 1.00 0.00 O ATOM 0 H SER A 6 6.675 -9.711 23.370 1.00 0.00 H new ATOM 0 HA SER A 6 8.136 -11.935 22.221 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.946 -9.921 23.757 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.399 -10.950 25.065 1.00 0.00 H new ATOM 0 HG SER A 6 10.628 -11.314 24.535 1.00 0.00 H new ATOM 59 N GLY A 7 7.442 -13.900 23.636 1.00 0.00 N ATOM 60 CA GLY A 7 6.834 -15.058 24.265 1.00 0.00 C ATOM 61 C GLY A 7 7.297 -16.363 23.648 1.00 0.00 C ATOM 62 O GLY A 7 8.298 -16.938 24.073 1.00 0.00 O ATOM 0 H GLY A 7 8.251 -14.106 23.050 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.073 -15.057 25.328 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.750 -14.985 24.182 1.00 0.00 H new ATOM 66 N GLY A 8 6.565 -16.832 22.642 1.00 0.00 N ATOM 67 CA GLY A 8 6.921 -18.075 21.983 1.00 0.00 C ATOM 68 C GLY A 8 7.560 -17.850 20.627 1.00 0.00 C ATOM 69 O GLY A 8 7.987 -16.740 20.309 1.00 0.00 O ATOM 0 H GLY A 8 5.732 -16.374 22.272 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.609 -18.635 22.617 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.028 -18.688 21.863 1.00 0.00 H new ATOM 73 N THR A 9 7.627 -18.907 19.823 1.00 0.00 N ATOM 74 CA THR A 9 8.221 -18.821 18.495 1.00 0.00 C ATOM 75 C THR A 9 7.520 -19.758 17.518 1.00 0.00 C ATOM 76 O THR A 9 6.886 -20.732 17.922 1.00 0.00 O ATOM 77 CB THR A 9 9.723 -19.162 18.528 1.00 0.00 C ATOM 78 OG1 THR A 9 10.277 -19.061 17.211 1.00 0.00 O ATOM 79 CG2 THR A 9 9.948 -20.564 19.072 1.00 0.00 C ATOM 0 H THR A 9 7.277 -19.833 20.069 1.00 0.00 H new ATOM 0 HA THR A 9 8.097 -17.791 18.159 1.00 0.00 H new ATOM 0 HB THR A 9 10.220 -18.450 19.187 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.232 -19.278 17.240 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.016 -20.782 19.086 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.551 -20.629 20.085 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.438 -21.287 18.436 1.00 0.00 H new ATOM 87 N VAL A 10 7.640 -19.457 16.228 1.00 0.00 N ATOM 88 CA VAL A 10 7.019 -20.274 15.192 1.00 0.00 C ATOM 89 C VAL A 10 7.730 -21.615 15.050 1.00 0.00 C ATOM 90 O VAL A 10 8.953 -21.696 15.166 1.00 0.00 O ATOM 91 CB VAL A 10 7.027 -19.554 13.830 1.00 0.00 C ATOM 92 CG1 VAL A 10 8.453 -19.331 13.352 1.00 0.00 C ATOM 93 CG2 VAL A 10 6.230 -20.347 12.805 1.00 0.00 C ATOM 0 H VAL A 10 8.161 -18.654 15.876 1.00 0.00 H new ATOM 0 HA VAL A 10 5.987 -20.444 15.499 1.00 0.00 H new ATOM 0 HB VAL A 10 6.554 -18.580 13.950 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.438 -18.821 12.389 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.989 -18.719 14.078 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.956 -20.292 13.246 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.246 -19.825 11.849 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.673 -21.336 12.686 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.200 -20.450 13.145 1.00 0.00 H new ATOM 103 N SER A 11 6.956 -22.665 14.798 1.00 0.00 N ATOM 104 CA SER A 11 7.511 -24.005 14.643 1.00 0.00 C ATOM 105 C SER A 11 7.625 -24.378 13.168 1.00 0.00 C ATOM 106 O SER A 11 7.264 -25.484 12.767 1.00 0.00 O ATOM 107 CB SER A 11 6.640 -25.028 15.374 1.00 0.00 C ATOM 108 OG SER A 11 5.318 -25.031 14.864 1.00 0.00 O ATOM 0 H SER A 11 5.942 -22.614 14.697 1.00 0.00 H new ATOM 0 HA SER A 11 8.510 -24.011 15.080 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.076 -26.022 15.269 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.621 -24.799 16.439 1.00 0.00 H new ATOM 0 HG SER A 11 4.783 -25.695 15.347 1.00 0.00 H new ATOM 114 N ALA A 12 8.129 -23.447 12.365 1.00 0.00 N ATOM 115 CA ALA A 12 8.293 -23.678 10.936 1.00 0.00 C ATOM 116 C ALA A 12 9.437 -22.842 10.372 1.00 0.00 C ATOM 117 O ALA A 12 9.961 -21.952 11.045 1.00 0.00 O ATOM 118 CB ALA A 12 6.998 -23.368 10.199 1.00 0.00 C ATOM 0 H ALA A 12 8.431 -22.525 12.680 1.00 0.00 H new ATOM 0 HA ALA A 12 8.539 -24.730 10.790 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.135 -23.545 9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.203 -24.012 10.574 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.727 -22.325 10.362 1.00 0.00 H new ATOM 124 N THR A 13 9.822 -23.132 9.133 1.00 0.00 N ATOM 125 CA THR A 13 10.906 -22.409 8.480 1.00 0.00 C ATOM 126 C THR A 13 10.404 -21.110 7.859 1.00 0.00 C ATOM 127 O THR A 13 10.083 -21.062 6.672 1.00 0.00 O ATOM 128 CB THR A 13 11.573 -23.264 7.386 1.00 0.00 C ATOM 129 OG1 THR A 13 10.578 -24.001 6.667 1.00 0.00 O ATOM 130 CG2 THR A 13 12.585 -24.224 7.991 1.00 0.00 C ATOM 0 H THR A 13 9.399 -23.863 8.561 1.00 0.00 H new ATOM 0 HA THR A 13 11.642 -22.180 9.250 1.00 0.00 H new ATOM 0 HB THR A 13 12.095 -22.596 6.701 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.917 -23.381 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.043 -24.817 7.199 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.357 -23.658 8.513 1.00 0.00 H new ATOM 0 HG23 THR A 13 12.082 -24.886 8.696 1.00 0.00 H new ATOM 138 N SER A 14 10.339 -20.059 8.670 1.00 0.00 N ATOM 139 CA SER A 14 9.873 -18.759 8.200 1.00 0.00 C ATOM 140 C SER A 14 10.845 -18.168 7.184 1.00 0.00 C ATOM 141 O SER A 14 12.010 -18.558 7.101 1.00 0.00 O ATOM 142 CB SER A 14 9.703 -17.799 9.379 1.00 0.00 C ATOM 143 OG SER A 14 8.395 -17.880 9.918 1.00 0.00 O ATOM 0 H SER A 14 10.603 -20.082 9.655 1.00 0.00 H new ATOM 0 HA SER A 14 8.908 -18.900 7.713 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.434 -18.035 10.153 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.903 -16.778 9.053 1.00 0.00 H new ATOM 0 HG SER A 14 8.312 -17.258 10.671 1.00 0.00 H new ATOM 149 N PRO A 15 10.357 -17.204 6.390 1.00 0.00 N ATOM 150 CA PRO A 15 11.165 -16.537 5.365 1.00 0.00 C ATOM 151 C PRO A 15 12.236 -15.634 5.967 1.00 0.00 C ATOM 152 O PRO A 15 13.192 -15.254 5.293 1.00 0.00 O ATOM 153 CB PRO A 15 10.139 -15.706 4.590 1.00 0.00 C ATOM 154 CG PRO A 15 9.035 -15.466 5.561 1.00 0.00 C ATOM 155 CD PRO A 15 8.978 -16.689 6.434 1.00 0.00 C ATOM 0 HA PRO A 15 11.710 -17.251 4.748 1.00 0.00 H new ATOM 0 HB2 PRO A 15 10.571 -14.768 4.242 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.782 -16.239 3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.225 -14.572 6.154 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.088 -15.311 5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.673 -16.443 7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.264 -17.420 6.055 1.00 0.00 H new ATOM 163 N ASN A 16 12.070 -15.296 7.242 1.00 0.00 N ATOM 164 CA ASN A 16 13.023 -14.437 7.935 1.00 0.00 C ATOM 165 C ASN A 16 13.192 -13.109 7.203 1.00 0.00 C ATOM 166 O ASN A 16 14.279 -12.532 7.183 1.00 0.00 O ATOM 167 CB ASN A 16 14.377 -15.139 8.059 1.00 0.00 C ATOM 168 CG ASN A 16 15.158 -14.680 9.275 1.00 0.00 C ATOM 169 OD1 ASN A 16 14.578 -14.247 10.271 1.00 0.00 O ATOM 170 ND2 ASN A 16 16.480 -14.774 9.199 1.00 0.00 N ATOM 0 H ASN A 16 11.285 -15.604 7.816 1.00 0.00 H new ATOM 0 HA ASN A 16 12.633 -14.234 8.932 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.221 -16.216 8.117 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.965 -14.950 7.161 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.058 -14.481 9.987 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.918 -15.139 8.353 1.00 0.00 H new ATOM 177 N LYS A 17 12.108 -12.629 6.604 1.00 0.00 N ATOM 178 CA LYS A 17 12.133 -11.368 5.872 1.00 0.00 C ATOM 179 C LYS A 17 11.736 -10.206 6.777 1.00 0.00 C ATOM 180 O LYS A 17 12.208 -9.082 6.602 1.00 0.00 O ATOM 181 CB LYS A 17 11.191 -11.435 4.668 1.00 0.00 C ATOM 182 CG LYS A 17 11.813 -12.086 3.445 1.00 0.00 C ATOM 183 CD LYS A 17 10.816 -12.193 2.303 1.00 0.00 C ATOM 184 CE LYS A 17 10.514 -10.831 1.697 1.00 0.00 C ATOM 185 NZ LYS A 17 9.540 -10.927 0.575 1.00 0.00 N ATOM 0 H LYS A 17 11.200 -13.094 6.611 1.00 0.00 H new ATOM 0 HA LYS A 17 13.151 -11.201 5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.295 -11.989 4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.873 -10.425 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.677 -11.505 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.177 -13.080 3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.213 -12.855 1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.892 -12.644 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.116 -10.171 2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.439 -10.380 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.360 -9.978 0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.930 -11.537 -0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.648 -11.333 0.923 1.00 0.00 H new ATOM 199 N CYS A 18 10.869 -10.484 7.744 1.00 0.00 N ATOM 200 CA CYS A 18 10.409 -9.461 8.677 1.00 0.00 C ATOM 201 C CYS A 18 9.682 -8.341 7.941 1.00 0.00 C ATOM 202 O CYS A 18 9.955 -7.160 8.158 1.00 0.00 O ATOM 203 CB CYS A 18 11.591 -8.889 9.461 1.00 0.00 C ATOM 204 SG CYS A 18 11.158 -8.275 11.105 1.00 0.00 S ATOM 0 H CYS A 18 10.470 -11.409 7.903 1.00 0.00 H new ATOM 0 HA CYS A 18 9.711 -9.926 9.373 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.354 -9.661 9.562 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.035 -8.076 8.887 1.00 0.00 H new ATOM 0 HG CYS A 18 12.223 -7.814 11.690 1.00 0.00 H new ATOM 210 N LYS A 19 8.755 -8.719 7.067 1.00 0.00 N ATOM 211 CA LYS A 19 7.987 -7.748 6.297 1.00 0.00 C ATOM 212 C LYS A 19 6.723 -7.338 7.045 1.00 0.00 C ATOM 213 O LYS A 19 6.128 -6.299 6.756 1.00 0.00 O ATOM 214 CB LYS A 19 7.618 -8.327 4.929 1.00 0.00 C ATOM 215 CG LYS A 19 7.250 -7.271 3.901 1.00 0.00 C ATOM 216 CD LYS A 19 8.467 -6.477 3.457 1.00 0.00 C ATOM 217 CE LYS A 19 9.385 -7.310 2.575 1.00 0.00 C ATOM 218 NZ LYS A 19 10.391 -6.468 1.870 1.00 0.00 N ATOM 0 H LYS A 19 8.517 -9.692 6.874 1.00 0.00 H new ATOM 0 HA LYS A 19 8.607 -6.863 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.458 -8.911 4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.780 -9.014 5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.791 -7.749 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.507 -6.594 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.145 -5.589 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.017 -6.132 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.897 -8.054 3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.789 -7.854 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.997 -7.073 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.903 -5.774 1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.977 -5.968 2.569 1.00 0.00 H new ATOM 232 N ARG A 20 6.318 -8.159 8.008 1.00 0.00 N ATOM 233 CA ARG A 20 5.124 -7.881 8.797 1.00 0.00 C ATOM 234 C ARG A 20 3.879 -7.872 7.915 1.00 0.00 C ATOM 235 O ARG A 20 3.953 -7.725 6.695 1.00 0.00 O ATOM 236 CB ARG A 20 5.263 -6.538 9.516 1.00 0.00 C ATOM 237 CG ARG A 20 5.618 -6.669 10.988 1.00 0.00 C ATOM 238 CD ARG A 20 6.453 -5.492 11.467 1.00 0.00 C ATOM 239 NE ARG A 20 5.653 -4.280 11.621 1.00 0.00 N ATOM 240 CZ ARG A 20 4.789 -4.091 12.612 1.00 0.00 C ATOM 241 NH1 ARG A 20 4.614 -5.030 13.531 1.00 0.00 N ATOM 242 NH2 ARG A 20 4.097 -2.961 12.684 1.00 0.00 N ATOM 0 H ARG A 20 6.799 -9.022 8.261 1.00 0.00 H new ATOM 0 HA ARG A 20 5.017 -8.673 9.538 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.030 -5.946 9.017 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.327 -5.988 9.424 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.705 -6.733 11.579 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.168 -7.596 11.150 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.919 -5.742 12.420 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.259 -5.307 10.757 1.00 0.00 H new ATOM 0 HE ARG A 20 5.764 -3.538 10.930 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.143 -5.900 13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.950 -4.882 14.291 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.228 -2.237 11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.434 -2.817 13.445 1.00 0.00 H new ATOM 256 N PRO A 21 2.705 -8.031 8.546 1.00 0.00 N ATOM 257 CA PRO A 21 1.422 -8.045 7.837 1.00 0.00 C ATOM 258 C PRO A 21 1.050 -6.673 7.285 1.00 0.00 C ATOM 259 O PRO A 21 1.425 -5.645 7.848 1.00 0.00 O ATOM 260 CB PRO A 21 0.426 -8.474 8.917 1.00 0.00 C ATOM 261 CG PRO A 21 1.059 -8.064 10.202 1.00 0.00 C ATOM 262 CD PRO A 21 2.542 -8.211 9.998 1.00 0.00 C ATOM 0 HA PRO A 21 1.442 -8.705 6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.540 -7.989 8.779 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.250 -9.549 8.888 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.800 -7.036 10.454 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.714 -8.691 11.024 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.101 -7.464 10.561 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.898 -9.188 10.324 1.00 0.00 H new ATOM 270 N MET A 22 0.311 -6.665 6.181 1.00 0.00 N ATOM 271 CA MET A 22 -0.113 -5.418 5.555 1.00 0.00 C ATOM 272 C MET A 22 -1.312 -4.822 6.285 1.00 0.00 C ATOM 273 O MET A 22 -2.457 -5.176 6.009 1.00 0.00 O ATOM 274 CB MET A 22 -0.463 -5.654 4.084 1.00 0.00 C ATOM 275 CG MET A 22 0.731 -5.546 3.150 1.00 0.00 C ATOM 276 SD MET A 22 0.249 -5.434 1.416 1.00 0.00 S ATOM 277 CE MET A 22 0.447 -3.678 1.123 1.00 0.00 C ATOM 0 H MET A 22 -0.007 -7.507 5.701 1.00 0.00 H new ATOM 0 HA MET A 22 0.715 -4.711 5.616 1.00 0.00 H new ATOM 0 HB2 MET A 22 -0.907 -6.644 3.979 1.00 0.00 H new ATOM 0 HB3 MET A 22 -1.219 -4.931 3.779 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.318 -4.667 3.417 1.00 0.00 H new ATOM 0 HG3 MET A 22 1.375 -6.414 3.289 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.186 -3.450 0.090 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.207 -3.121 1.794 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.483 -3.393 1.307 1.00 0.00 H new ATOM 287 N ASN A 23 -1.040 -3.916 7.219 1.00 0.00 N ATOM 288 CA ASN A 23 -2.097 -3.272 7.990 1.00 0.00 C ATOM 289 C ASN A 23 -2.845 -2.250 7.140 1.00 0.00 C ATOM 290 O ASN A 23 -2.577 -2.104 5.948 1.00 0.00 O ATOM 291 CB ASN A 23 -1.511 -2.590 9.228 1.00 0.00 C ATOM 292 CG ASN A 23 -0.604 -3.512 10.021 1.00 0.00 C ATOM 293 OD1 ASN A 23 -0.993 -4.622 10.383 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.612 -3.054 10.294 1.00 0.00 N ATOM 0 H ASN A 23 -0.097 -3.611 7.460 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.802 -4.041 8.306 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.949 -1.707 8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.323 -2.245 9.868 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.267 -3.629 10.824 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.892 -2.127 9.974 1.00 0.00 H new ATOM 301 N ALA A 24 -3.784 -1.545 7.762 1.00 0.00 N ATOM 302 CA ALA A 24 -4.569 -0.535 7.063 1.00 0.00 C ATOM 303 C ALA A 24 -3.698 0.643 6.641 1.00 0.00 C ATOM 304 O ALA A 24 -3.637 0.992 5.462 1.00 0.00 O ATOM 305 CB ALA A 24 -5.716 -0.057 7.942 1.00 0.00 C ATOM 0 H ALA A 24 -4.020 -1.655 8.748 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.980 -0.990 6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.294 0.697 7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.361 -0.900 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.316 0.375 8.859 1.00 0.00 H new ATOM 311 N PHE A 25 -3.025 1.253 7.611 1.00 0.00 N ATOM 312 CA PHE A 25 -2.158 2.394 7.340 1.00 0.00 C ATOM 313 C PHE A 25 -1.158 2.066 6.235 1.00 0.00 C ATOM 314 O PHE A 25 -0.882 2.894 5.368 1.00 0.00 O ATOM 315 CB PHE A 25 -1.413 2.809 8.611 1.00 0.00 C ATOM 316 CG PHE A 25 -0.398 3.892 8.384 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.798 5.196 8.143 1.00 0.00 C ATOM 318 CD2 PHE A 25 0.958 3.606 8.412 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.134 6.194 7.933 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.895 4.600 8.204 1.00 0.00 C ATOM 321 CZ PHE A 25 1.483 5.896 7.964 1.00 0.00 C ATOM 0 H PHE A 25 -3.063 0.976 8.592 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.783 3.223 7.007 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.136 3.150 9.352 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.913 1.936 9.031 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.851 5.435 8.119 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.286 2.594 8.599 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.192 7.206 7.745 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.949 4.364 8.229 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.213 6.675 7.801 1.00 0.00 H new ATOM 331 N MET A 26 -0.619 0.852 6.275 1.00 0.00 N ATOM 332 CA MET A 26 0.350 0.414 5.277 1.00 0.00 C ATOM 333 C MET A 26 -0.183 0.639 3.866 1.00 0.00 C ATOM 334 O MET A 26 0.542 1.102 2.983 1.00 0.00 O ATOM 335 CB MET A 26 0.688 -1.065 5.477 1.00 0.00 C ATOM 336 CG MET A 26 1.608 -1.323 6.659 1.00 0.00 C ATOM 337 SD MET A 26 3.154 -2.116 6.175 1.00 0.00 S ATOM 338 CE MET A 26 3.891 -2.427 7.777 1.00 0.00 C ATOM 0 H MET A 26 -0.836 0.155 6.987 1.00 0.00 H new ATOM 0 HA MET A 26 1.256 1.007 5.403 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.237 -1.625 5.618 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.158 -1.448 4.571 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.829 -0.378 7.156 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.093 -1.952 7.385 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.856 -2.916 7.645 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.032 -1.482 8.302 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.234 -3.072 8.360 1.00 0.00 H new ATOM 348 N LEU A 27 -1.453 0.310 3.658 1.00 0.00 N ATOM 349 CA LEU A 27 -2.084 0.476 2.354 1.00 0.00 C ATOM 350 C LEU A 27 -2.133 1.948 1.956 1.00 0.00 C ATOM 351 O LEU A 27 -2.041 2.287 0.776 1.00 0.00 O ATOM 352 CB LEU A 27 -3.498 -0.107 2.371 1.00 0.00 C ATOM 353 CG LEU A 27 -3.943 -0.825 1.096 1.00 0.00 C ATOM 354 CD1 LEU A 27 -3.017 -1.991 0.789 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.382 -1.304 1.229 1.00 0.00 C ATOM 0 H LEU A 27 -2.067 -0.074 4.377 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.486 -0.061 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.571 -0.808 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.201 0.702 2.573 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.891 -0.119 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.349 -2.490 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.001 -1.622 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.036 -2.699 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.682 -1.813 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.460 -1.994 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.036 -0.449 1.400 1.00 0.00 H new ATOM 367 N PHE A 28 -2.277 2.819 2.949 1.00 0.00 N ATOM 368 CA PHE A 28 -2.337 4.255 2.704 1.00 0.00 C ATOM 369 C PHE A 28 -0.968 4.796 2.301 1.00 0.00 C ATOM 370 O PHE A 28 -0.793 5.315 1.199 1.00 0.00 O ATOM 371 CB PHE A 28 -2.841 4.987 3.950 1.00 0.00 C ATOM 372 CG PHE A 28 -2.668 6.477 3.881 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.502 7.074 4.334 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.670 7.281 3.363 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.341 8.446 4.272 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.515 8.653 3.299 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.348 9.236 3.753 1.00 0.00 C ATOM 0 H PHE A 28 -2.354 2.555 3.931 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.033 4.429 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.897 4.758 4.094 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.311 4.608 4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.711 6.461 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.584 6.830 3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.428 8.900 4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.305 9.268 2.895 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.223 10.308 3.702 1.00 0.00 H new ATOM 387 N ALA A 29 -0.001 4.671 3.204 1.00 0.00 N ATOM 388 CA ALA A 29 1.353 5.145 2.944 1.00 0.00 C ATOM 389 C ALA A 29 1.886 4.589 1.628 1.00 0.00 C ATOM 390 O ALA A 29 2.621 5.266 0.908 1.00 0.00 O ATOM 391 CB ALA A 29 2.276 4.764 4.092 1.00 0.00 C ATOM 0 H ALA A 29 -0.130 4.246 4.122 1.00 0.00 H new ATOM 0 HA ALA A 29 1.321 6.232 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.283 5.124 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.913 5.215 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.294 3.680 4.200 1.00 0.00 H new ATOM 397 N LYS A 30 1.512 3.352 1.319 1.00 0.00 N ATOM 398 CA LYS A 30 1.952 2.704 0.089 1.00 0.00 C ATOM 399 C LYS A 30 1.262 3.317 -1.126 1.00 0.00 C ATOM 400 O LYS A 30 1.919 3.820 -2.037 1.00 0.00 O ATOM 401 CB LYS A 30 1.663 1.202 0.148 1.00 0.00 C ATOM 402 CG LYS A 30 2.448 0.391 -0.868 1.00 0.00 C ATOM 403 CD LYS A 30 1.794 -0.955 -1.133 1.00 0.00 C ATOM 404 CE LYS A 30 0.665 -0.837 -2.146 1.00 0.00 C ATOM 405 NZ LYS A 30 1.179 -0.756 -3.541 1.00 0.00 N ATOM 0 H LYS A 30 0.905 2.778 1.904 1.00 0.00 H new ATOM 0 HA LYS A 30 3.027 2.858 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.893 0.835 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.598 1.039 -0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.523 0.950 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.464 0.238 -0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.542 -1.658 -1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.405 -1.362 -0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.002 -1.697 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.070 0.050 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.475 -0.284 -4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.065 -0.212 -3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.357 -1.715 -3.902 1.00 0.00 H new ATOM 419 N LYS A 31 -0.066 3.274 -1.131 1.00 0.00 N ATOM 420 CA LYS A 31 -0.845 3.827 -2.232 1.00 0.00 C ATOM 421 C LYS A 31 -0.523 5.304 -2.439 1.00 0.00 C ATOM 422 O LYS A 31 -0.676 5.835 -3.539 1.00 0.00 O ATOM 423 CB LYS A 31 -2.342 3.654 -1.962 1.00 0.00 C ATOM 424 CG LYS A 31 -3.210 3.865 -3.191 1.00 0.00 C ATOM 425 CD LYS A 31 -4.666 3.540 -2.906 1.00 0.00 C ATOM 426 CE LYS A 31 -4.895 2.039 -2.813 1.00 0.00 C ATOM 427 NZ LYS A 31 -6.342 1.693 -2.868 1.00 0.00 N ATOM 0 H LYS A 31 -0.625 2.862 -0.384 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.580 3.285 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.519 2.652 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.647 4.358 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.125 4.899 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.849 3.237 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.970 4.014 -1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.294 3.957 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.371 1.541 -3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.467 1.664 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.455 0.661 -2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.838 2.147 -2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.745 2.028 -3.766 1.00 0.00 H new ATOM 441 N TYR A 32 -0.074 5.961 -1.375 1.00 0.00 N ATOM 442 CA TYR A 32 0.270 7.376 -1.440 1.00 0.00 C ATOM 443 C TYR A 32 1.783 7.570 -1.435 1.00 0.00 C ATOM 444 O TYR A 32 2.276 8.693 -1.319 1.00 0.00 O ATOM 445 CB TYR A 32 -0.356 8.129 -0.264 1.00 0.00 C ATOM 446 CG TYR A 32 -1.834 8.398 -0.436 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.736 7.355 -0.598 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.327 9.697 -0.434 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.087 7.597 -0.756 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.677 9.948 -0.589 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.553 8.895 -0.750 1.00 0.00 C ATOM 452 OH TYR A 32 -5.898 9.140 -0.906 1.00 0.00 O ATOM 0 H TYR A 32 0.060 5.536 -0.458 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.126 7.778 -2.373 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.204 7.552 0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.165 9.078 -0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.375 6.337 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.644 10.524 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.775 6.774 -0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.044 10.964 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.060 10.106 -0.877 1.00 0.00 H new ATOM 462 N ARG A 33 2.515 6.468 -1.563 1.00 0.00 N ATOM 463 CA ARG A 33 3.972 6.515 -1.573 1.00 0.00 C ATOM 464 C ARG A 33 4.484 7.246 -2.811 1.00 0.00 C ATOM 465 O ARG A 33 4.959 8.378 -2.725 1.00 0.00 O ATOM 466 CB ARG A 33 4.550 5.100 -1.528 1.00 0.00 C ATOM 467 CG ARG A 33 6.069 5.062 -1.526 1.00 0.00 C ATOM 468 CD ARG A 33 6.597 3.937 -0.649 1.00 0.00 C ATOM 469 NE ARG A 33 7.877 3.423 -1.130 1.00 0.00 N ATOM 470 CZ ARG A 33 8.421 2.289 -0.703 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.799 1.554 0.208 1.00 0.00 N ATOM 472 NH2 ARG A 33 9.589 1.888 -1.188 1.00 0.00 N ATOM 0 H ARG A 33 2.123 5.532 -1.661 1.00 0.00 H new ATOM 0 HA ARG A 33 4.299 7.061 -0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.181 4.594 -0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.182 4.539 -2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.432 4.931 -2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.457 6.016 -1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.712 4.298 0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.868 3.127 -0.621 1.00 0.00 H new ATOM 0 HE ARG A 33 8.381 3.965 -1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.901 1.859 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.219 0.684 0.534 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.070 2.451 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.006 1.017 -0.859 1.00 0.00 H new ATOM 486 N VAL A 34 4.383 6.590 -3.963 1.00 0.00 N ATOM 487 CA VAL A 34 4.835 7.176 -5.219 1.00 0.00 C ATOM 488 C VAL A 34 4.202 8.544 -5.446 1.00 0.00 C ATOM 489 O VAL A 34 4.792 9.413 -6.087 1.00 0.00 O ATOM 490 CB VAL A 34 4.504 6.265 -6.415 1.00 0.00 C ATOM 491 CG1 VAL A 34 2.999 6.179 -6.621 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.196 6.766 -7.674 1.00 0.00 C ATOM 0 H VAL A 34 3.992 5.652 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 34 5.917 7.287 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 34 4.874 5.263 -6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.785 5.531 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.532 5.770 -5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.601 7.175 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.951 6.110 -8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.859 7.778 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.275 6.769 -7.519 1.00 0.00 H new ATOM 502 N GLU A 35 2.997 8.728 -4.915 1.00 0.00 N ATOM 503 CA GLU A 35 2.283 9.991 -5.060 1.00 0.00 C ATOM 504 C GLU A 35 3.049 11.129 -4.391 1.00 0.00 C ATOM 505 O GLU A 35 3.042 12.263 -4.871 1.00 0.00 O ATOM 506 CB GLU A 35 0.881 9.883 -4.458 1.00 0.00 C ATOM 507 CG GLU A 35 0.119 8.647 -4.908 1.00 0.00 C ATOM 508 CD GLU A 35 0.208 8.420 -6.405 1.00 0.00 C ATOM 509 OE1 GLU A 35 0.216 9.417 -7.157 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.269 7.245 -6.823 1.00 0.00 O ATOM 0 H GLU A 35 2.495 8.019 -4.381 1.00 0.00 H new ATOM 0 HA GLU A 35 2.197 10.210 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.961 9.874 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.309 10.771 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.512 7.773 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.928 8.745 -4.621 1.00 0.00 H new ATOM 517 N TYR A 36 3.708 10.818 -3.281 1.00 0.00 N ATOM 518 CA TYR A 36 4.477 11.814 -2.544 1.00 0.00 C ATOM 519 C TYR A 36 5.945 11.785 -2.957 1.00 0.00 C ATOM 520 O TYR A 36 6.652 12.787 -2.854 1.00 0.00 O ATOM 521 CB TYR A 36 4.355 11.571 -1.038 1.00 0.00 C ATOM 522 CG TYR A 36 3.076 12.111 -0.440 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.837 11.729 -0.938 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.107 13.003 0.625 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.666 12.221 -0.394 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.941 13.499 1.176 1.00 0.00 C ATOM 527 CZ TYR A 36 0.723 13.105 0.663 1.00 0.00 C ATOM 528 OH TYR A 36 -0.441 13.596 1.208 1.00 0.00 O ATOM 0 H TYR A 36 3.725 9.884 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 36 4.071 12.797 -2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.412 10.500 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.205 12.031 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.788 11.036 -1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.059 13.314 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.289 11.915 -0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.983 14.191 2.004 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.155 12.932 1.108 1.00 0.00 H new ATOM 538 N THR A 37 6.398 10.626 -3.428 1.00 0.00 N ATOM 539 CA THR A 37 7.781 10.464 -3.858 1.00 0.00 C ATOM 540 C THR A 37 8.111 11.401 -5.014 1.00 0.00 C ATOM 541 O THR A 37 9.246 11.854 -5.153 1.00 0.00 O ATOM 542 CB THR A 37 8.069 9.014 -4.288 1.00 0.00 C ATOM 543 OG1 THR A 37 7.500 8.100 -3.344 1.00 0.00 O ATOM 544 CG2 THR A 37 9.566 8.769 -4.400 1.00 0.00 C ATOM 0 H THR A 37 5.826 9.786 -3.521 1.00 0.00 H new ATOM 0 HA THR A 37 8.409 10.713 -3.003 1.00 0.00 H new ATOM 0 HB THR A 37 7.617 8.853 -5.267 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.719 8.513 -2.919 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.744 7.738 -4.705 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.991 9.445 -5.142 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.037 8.948 -3.434 1.00 0.00 H new ATOM 552 N GLN A 38 7.111 11.687 -5.842 1.00 0.00 N ATOM 553 CA GLN A 38 7.296 12.570 -6.987 1.00 0.00 C ATOM 554 C GLN A 38 6.875 13.996 -6.649 1.00 0.00 C ATOM 555 O GLN A 38 7.379 14.957 -7.229 1.00 0.00 O ATOM 556 CB GLN A 38 6.495 12.060 -8.187 1.00 0.00 C ATOM 557 CG GLN A 38 6.875 10.652 -8.617 1.00 0.00 C ATOM 558 CD GLN A 38 6.555 10.381 -10.074 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.657 11.271 -10.919 1.00 0.00 O ATOM 560 NE2 GLN A 38 6.166 9.148 -10.376 1.00 0.00 N ATOM 0 H GLN A 38 6.165 11.320 -5.741 1.00 0.00 H new ATOM 0 HA GLN A 38 8.356 12.574 -7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.433 12.082 -7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.641 12.740 -9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.941 10.500 -8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.348 9.931 -7.993 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.095 8.442 -9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.938 8.907 -11.340 1.00 0.00 H new ATOM 569 N MET A 39 5.947 14.125 -5.706 1.00 0.00 N ATOM 570 CA MET A 39 5.459 15.435 -5.290 1.00 0.00 C ATOM 571 C MET A 39 6.480 16.139 -4.402 1.00 0.00 C ATOM 572 O MET A 39 6.575 17.367 -4.403 1.00 0.00 O ATOM 573 CB MET A 39 4.130 15.294 -4.545 1.00 0.00 C ATOM 574 CG MET A 39 2.914 15.339 -5.458 1.00 0.00 C ATOM 575 SD MET A 39 1.416 15.849 -4.594 1.00 0.00 S ATOM 576 CE MET A 39 0.709 14.258 -4.174 1.00 0.00 C ATOM 0 H MET A 39 5.518 13.340 -5.216 1.00 0.00 H new ATOM 0 HA MET A 39 5.305 16.038 -6.184 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.128 14.352 -3.997 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.050 16.092 -3.807 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.107 16.028 -6.280 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.758 14.354 -5.898 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.235 14.406 -3.649 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.532 13.687 -5.085 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.399 13.711 -3.531 1.00 0.00 H new ATOM 586 N TYR A 40 7.241 15.355 -3.647 1.00 0.00 N ATOM 587 CA TYR A 40 8.253 15.905 -2.752 1.00 0.00 C ATOM 588 C TYR A 40 9.587 15.187 -2.934 1.00 0.00 C ATOM 589 O TYR A 40 10.045 14.445 -2.065 1.00 0.00 O ATOM 590 CB TYR A 40 7.794 15.791 -1.298 1.00 0.00 C ATOM 591 CG TYR A 40 6.513 16.540 -1.007 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.282 16.030 -1.404 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.532 17.757 -0.337 1.00 0.00 C ATOM 594 CE1 TYR A 40 4.109 16.711 -1.141 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.364 18.444 -0.069 1.00 0.00 C ATOM 596 CZ TYR A 40 4.155 17.917 -0.473 1.00 0.00 C ATOM 597 OH TYR A 40 2.989 18.599 -0.209 1.00 0.00 O ATOM 0 H TYR A 40 7.177 14.337 -3.637 1.00 0.00 H new ATOM 0 HA TYR A 40 8.390 16.957 -3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.654 14.739 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.582 16.169 -0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.242 15.086 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.477 18.173 -0.020 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.161 16.301 -1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.397 19.388 0.454 1.00 0.00 H new ATOM 0 HH TYR A 40 3.197 19.429 0.269 1.00 0.00 H new ATOM 607 N PRO A 41 10.227 15.414 -4.090 1.00 0.00 N ATOM 608 CA PRO A 41 11.518 14.800 -4.414 1.00 0.00 C ATOM 609 C PRO A 41 12.655 15.357 -3.563 1.00 0.00 C ATOM 610 O PRO A 41 13.644 14.673 -3.307 1.00 0.00 O ATOM 611 CB PRO A 41 11.725 15.164 -5.886 1.00 0.00 C ATOM 612 CG PRO A 41 10.928 16.407 -6.085 1.00 0.00 C ATOM 613 CD PRO A 41 9.740 16.287 -5.171 1.00 0.00 C ATOM 0 HA PRO A 41 11.518 13.727 -4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.779 15.330 -6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.383 14.365 -6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.518 17.292 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.613 16.507 -7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.426 17.259 -4.791 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.882 15.852 -5.683 1.00 0.00 H new ATOM 621 N GLY A 42 12.505 16.605 -3.127 1.00 0.00 N ATOM 622 CA GLY A 42 13.526 17.232 -2.309 1.00 0.00 C ATOM 623 C GLY A 42 13.530 16.711 -0.886 1.00 0.00 C ATOM 624 O GLY A 42 14.550 16.768 -0.198 1.00 0.00 O ATOM 0 H GLY A 42 11.695 17.192 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.504 17.059 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.366 18.310 -2.297 1.00 0.00 H new ATOM 628 N LYS A 43 12.386 16.203 -0.440 1.00 0.00 N ATOM 629 CA LYS A 43 12.260 15.669 0.911 1.00 0.00 C ATOM 630 C LYS A 43 12.795 14.243 0.985 1.00 0.00 C ATOM 631 O LYS A 43 12.891 13.552 -0.030 1.00 0.00 O ATOM 632 CB LYS A 43 10.797 15.700 1.359 1.00 0.00 C ATOM 633 CG LYS A 43 10.300 17.090 1.718 1.00 0.00 C ATOM 634 CD LYS A 43 9.046 17.030 2.574 1.00 0.00 C ATOM 635 CE LYS A 43 8.710 18.390 3.167 1.00 0.00 C ATOM 636 NZ LYS A 43 7.936 19.234 2.216 1.00 0.00 N ATOM 0 H LYS A 43 11.532 16.150 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 43 12.852 16.295 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.173 15.295 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.676 15.046 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.081 17.630 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.093 17.650 0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.209 16.678 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.187 16.306 3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.135 18.255 4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.631 18.904 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.429 19.974 2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.587 19.677 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.251 18.642 1.704 1.00 0.00 H new ATOM 650 N ASP A 44 13.141 13.808 2.191 1.00 0.00 N ATOM 651 CA ASP A 44 13.664 12.462 2.398 1.00 0.00 C ATOM 652 C ASP A 44 12.553 11.507 2.823 1.00 0.00 C ATOM 653 O ASP A 44 11.485 11.935 3.257 1.00 0.00 O ATOM 654 CB ASP A 44 14.771 12.479 3.453 1.00 0.00 C ATOM 655 CG ASP A 44 14.393 13.291 4.677 1.00 0.00 C ATOM 656 OD1 ASP A 44 13.283 13.080 5.208 1.00 0.00 O ATOM 657 OD2 ASP A 44 15.206 14.137 5.102 1.00 0.00 O ATOM 0 H ASP A 44 13.069 14.368 3.041 1.00 0.00 H new ATOM 0 HA ASP A 44 14.079 12.110 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.997 11.456 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.680 12.890 3.015 1.00 0.00 H new ATOM 662 N ASN A 45 12.814 10.210 2.694 1.00 0.00 N ATOM 663 CA ASN A 45 11.835 9.193 3.063 1.00 0.00 C ATOM 664 C ASN A 45 11.345 9.404 4.492 1.00 0.00 C ATOM 665 O ASN A 45 10.164 9.221 4.787 1.00 0.00 O ATOM 666 CB ASN A 45 12.442 7.796 2.922 1.00 0.00 C ATOM 667 CG ASN A 45 11.519 6.709 3.437 1.00 0.00 C ATOM 668 OD1 ASN A 45 10.296 6.825 3.350 1.00 0.00 O ATOM 669 ND2 ASN A 45 12.101 5.646 3.978 1.00 0.00 N ATOM 0 H ASN A 45 13.694 9.838 2.337 1.00 0.00 H new ATOM 0 HA ASN A 45 10.984 9.282 2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.672 7.607 1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.385 7.756 3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.531 4.883 4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.118 5.592 4.029 1.00 0.00 H new ATOM 676 N ARG A 46 12.259 9.792 5.375 1.00 0.00 N ATOM 677 CA ARG A 46 11.920 10.027 6.773 1.00 0.00 C ATOM 678 C ARG A 46 10.831 11.089 6.897 1.00 0.00 C ATOM 679 O ARG A 46 10.072 11.104 7.866 1.00 0.00 O ATOM 680 CB ARG A 46 13.161 10.461 7.555 1.00 0.00 C ATOM 681 CG ARG A 46 12.968 10.445 9.063 1.00 0.00 C ATOM 682 CD ARG A 46 14.288 10.626 9.796 1.00 0.00 C ATOM 683 NE ARG A 46 15.234 9.556 9.492 1.00 0.00 N ATOM 684 CZ ARG A 46 15.112 8.315 9.952 1.00 0.00 C ATOM 685 NH1 ARG A 46 14.090 7.991 10.731 1.00 0.00 N ATOM 686 NH2 ARG A 46 16.014 7.396 9.631 1.00 0.00 N ATOM 0 H ARG A 46 13.240 9.950 5.147 1.00 0.00 H new ATOM 0 HA ARG A 46 11.543 9.094 7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.991 9.804 7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.442 11.467 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.279 11.239 9.351 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.511 9.502 9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.726 11.586 9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.105 10.654 10.870 1.00 0.00 H new ATOM 0 HE ARG A 46 16.032 9.773 8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.395 8.695 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.999 7.038 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.801 7.642 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.920 6.444 9.984 1.00 0.00 H new ATOM 700 N ALA A 47 10.762 11.976 5.910 1.00 0.00 N ATOM 701 CA ALA A 47 9.766 13.041 5.908 1.00 0.00 C ATOM 702 C ALA A 47 8.486 12.593 5.210 1.00 0.00 C ATOM 703 O ALA A 47 7.383 12.878 5.676 1.00 0.00 O ATOM 704 CB ALA A 47 10.327 14.287 5.238 1.00 0.00 C ATOM 0 H ALA A 47 11.384 11.978 5.101 1.00 0.00 H new ATOM 0 HA ALA A 47 9.521 13.278 6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.573 15.074 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.209 14.626 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.601 14.055 4.209 1.00 0.00 H new ATOM 710 N ILE A 48 8.641 11.892 4.092 1.00 0.00 N ATOM 711 CA ILE A 48 7.497 11.405 3.332 1.00 0.00 C ATOM 712 C ILE A 48 6.527 10.641 4.226 1.00 0.00 C ATOM 713 O ILE A 48 5.320 10.633 3.986 1.00 0.00 O ATOM 714 CB ILE A 48 7.939 10.491 2.174 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.891 11.239 1.239 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.727 9.982 1.408 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.249 12.418 0.540 1.00 0.00 C ATOM 0 H ILE A 48 9.547 11.649 3.693 1.00 0.00 H new ATOM 0 HA ILE A 48 6.995 12.281 2.922 1.00 0.00 H new ATOM 0 HB ILE A 48 8.468 9.633 2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.749 11.590 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.271 10.545 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.056 9.338 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.083 9.416 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.173 10.827 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.982 12.901 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.408 12.071 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.894 13.132 1.283 1.00 0.00 H new ATOM 729 N SER A 49 7.064 10.000 5.260 1.00 0.00 N ATOM 730 CA SER A 49 6.246 9.231 6.191 1.00 0.00 C ATOM 731 C SER A 49 5.520 10.153 7.166 1.00 0.00 C ATOM 732 O SER A 49 4.297 10.097 7.297 1.00 0.00 O ATOM 733 CB SER A 49 7.114 8.235 6.963 1.00 0.00 C ATOM 734 OG SER A 49 6.454 7.785 8.133 1.00 0.00 O ATOM 0 H SER A 49 8.061 9.998 5.474 1.00 0.00 H new ATOM 0 HA SER A 49 5.501 8.682 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.351 7.384 6.325 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.060 8.705 7.233 1.00 0.00 H new ATOM 0 HG SER A 49 7.028 7.149 8.608 1.00 0.00 H new ATOM 740 N VAL A 50 6.282 11.001 7.848 1.00 0.00 N ATOM 741 CA VAL A 50 5.713 11.936 8.811 1.00 0.00 C ATOM 742 C VAL A 50 4.586 12.751 8.185 1.00 0.00 C ATOM 743 O VAL A 50 3.604 13.083 8.849 1.00 0.00 O ATOM 744 CB VAL A 50 6.783 12.898 9.360 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.164 13.885 10.338 1.00 0.00 C ATOM 746 CG2 VAL A 50 7.912 12.119 10.018 1.00 0.00 C ATOM 0 H VAL A 50 7.296 11.060 7.752 1.00 0.00 H new ATOM 0 HA VAL A 50 5.315 11.341 9.633 1.00 0.00 H new ATOM 0 HB VAL A 50 7.200 13.463 8.527 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.936 14.556 10.715 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.394 14.466 9.830 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.718 13.341 11.171 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.659 12.814 10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.513 11.526 10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.373 11.458 9.285 1.00 0.00 H new ATOM 756 N ILE A 51 4.735 13.069 6.904 1.00 0.00 N ATOM 757 CA ILE A 51 3.729 13.844 6.188 1.00 0.00 C ATOM 758 C ILE A 51 2.522 12.982 5.833 1.00 0.00 C ATOM 759 O ILE A 51 1.380 13.443 5.882 1.00 0.00 O ATOM 760 CB ILE A 51 4.304 14.459 4.898 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.500 15.356 5.224 1.00 0.00 C ATOM 762 CG2 ILE A 51 3.230 15.245 4.161 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.290 15.776 4.005 1.00 0.00 C ATOM 0 H ILE A 51 5.542 12.802 6.340 1.00 0.00 H new ATOM 0 HA ILE A 51 3.416 14.647 6.855 1.00 0.00 H new ATOM 0 HB ILE A 51 4.645 13.652 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.145 16.247 5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.162 14.830 5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.652 15.673 3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.407 14.580 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.861 16.046 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.122 16.410 4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.675 14.891 3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.643 16.330 3.325 1.00 0.00 H new ATOM 775 N LEU A 52 2.781 11.729 5.476 1.00 0.00 N ATOM 776 CA LEU A 52 1.715 10.801 5.114 1.00 0.00 C ATOM 777 C LEU A 52 0.801 10.531 6.305 1.00 0.00 C ATOM 778 O LEU A 52 -0.422 10.589 6.187 1.00 0.00 O ATOM 779 CB LEU A 52 2.309 9.487 4.604 1.00 0.00 C ATOM 780 CG LEU A 52 2.750 9.474 3.140 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.766 8.367 2.899 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.548 9.307 2.222 1.00 0.00 C ATOM 0 H LEU A 52 3.719 11.332 5.429 1.00 0.00 H new ATOM 0 HA LEU A 52 1.122 11.257 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.169 9.235 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.571 8.698 4.747 1.00 0.00 H new ATOM 0 HG LEU A 52 3.224 10.429 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.069 8.373 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.639 8.531 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.319 7.403 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.881 9.300 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.045 8.367 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.855 10.135 2.375 1.00 0.00 H new ATOM 794 N GLY A 53 1.404 10.236 7.453 1.00 0.00 N ATOM 795 CA GLY A 53 0.628 9.964 8.649 1.00 0.00 C ATOM 796 C GLY A 53 -0.381 11.054 8.947 1.00 0.00 C ATOM 797 O GLY A 53 -1.537 10.771 9.262 1.00 0.00 O ATOM 0 H GLY A 53 2.415 10.181 7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.107 9.014 8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.302 9.855 9.499 1.00 0.00 H new ATOM 801 N ASP A 54 0.056 12.305 8.849 1.00 0.00 N ATOM 802 CA ASP A 54 -0.818 13.443 9.111 1.00 0.00 C ATOM 803 C ASP A 54 -2.106 13.337 8.300 1.00 0.00 C ATOM 804 O ASP A 54 -3.205 13.437 8.847 1.00 0.00 O ATOM 805 CB ASP A 54 -0.099 14.752 8.782 1.00 0.00 C ATOM 806 CG ASP A 54 -0.725 15.947 9.474 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.161 15.798 10.634 1.00 0.00 O ATOM 808 OD2 ASP A 54 -0.780 17.030 8.855 1.00 0.00 O ATOM 0 H ASP A 54 1.010 12.557 8.590 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.075 13.436 10.170 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.947 14.672 9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.115 14.911 7.704 1.00 0.00 H new ATOM 813 N ARG A 55 -1.962 13.136 6.995 1.00 0.00 N ATOM 814 CA ARG A 55 -3.113 13.020 6.108 1.00 0.00 C ATOM 815 C ARG A 55 -4.079 11.949 6.609 1.00 0.00 C ATOM 816 O ARG A 55 -5.295 12.139 6.590 1.00 0.00 O ATOM 817 CB ARG A 55 -2.658 12.686 4.686 1.00 0.00 C ATOM 818 CG ARG A 55 -2.233 13.904 3.881 1.00 0.00 C ATOM 819 CD ARG A 55 -0.757 14.213 4.076 1.00 0.00 C ATOM 820 NE ARG A 55 -0.335 15.377 3.301 1.00 0.00 N ATOM 821 CZ ARG A 55 -0.692 16.623 3.592 1.00 0.00 C ATOM 822 NH1 ARG A 55 -1.472 16.865 4.636 1.00 0.00 N ATOM 823 NH2 ARG A 55 -0.267 17.629 2.839 1.00 0.00 N ATOM 0 H ARG A 55 -1.059 13.050 6.528 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.631 13.979 6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.825 11.985 4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.470 12.180 4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.433 13.731 2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.829 14.766 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.560 14.391 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.163 13.347 3.782 1.00 0.00 H new ATOM 0 HE ARG A 55 0.267 15.225 2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.799 16.094 5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.745 17.822 4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.334 17.446 2.036 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.542 18.585 3.063 1.00 0.00 H new ATOM 837 N TRP A 56 -3.528 10.826 7.055 1.00 0.00 N ATOM 838 CA TRP A 56 -4.340 9.725 7.560 1.00 0.00 C ATOM 839 C TRP A 56 -5.165 10.165 8.764 1.00 0.00 C ATOM 840 O TRP A 56 -6.205 9.578 9.065 1.00 0.00 O ATOM 841 CB TRP A 56 -3.451 8.540 7.941 1.00 0.00 C ATOM 842 CG TRP A 56 -4.197 7.430 8.616 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.447 7.304 9.952 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.788 6.288 7.986 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.158 6.153 10.192 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.381 5.512 9.002 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.876 5.846 6.663 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -6.050 4.321 8.733 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.540 4.663 6.399 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.120 3.912 7.429 1.00 0.00 C ATOM 0 H TRP A 56 -2.523 10.654 7.077 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.023 9.417 6.768 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.971 8.152 7.043 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.657 8.888 8.601 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.132 8.006 10.710 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.469 5.829 11.108 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.433 6.419 5.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.498 3.740 9.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.613 4.311 5.380 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.633 2.992 7.189 1.00 0.00 H new ATOM 861 N LYS A 57 -4.696 11.202 9.450 1.00 0.00 N ATOM 862 CA LYS A 57 -5.391 11.722 10.622 1.00 0.00 C ATOM 863 C LYS A 57 -6.486 12.703 10.214 1.00 0.00 C ATOM 864 O LYS A 57 -7.532 12.785 10.857 1.00 0.00 O ATOM 865 CB LYS A 57 -4.401 12.409 11.564 1.00 0.00 C ATOM 866 CG LYS A 57 -3.127 11.615 11.792 1.00 0.00 C ATOM 867 CD LYS A 57 -2.568 11.845 13.186 1.00 0.00 C ATOM 868 CE LYS A 57 -2.215 13.307 13.411 1.00 0.00 C ATOM 869 NZ LYS A 57 -3.321 14.048 14.079 1.00 0.00 N ATOM 0 H LYS A 57 -3.837 11.699 9.214 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.854 10.883 11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.142 13.386 11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.887 12.583 12.524 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.329 10.553 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.382 11.900 11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.299 11.528 13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.680 11.229 13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.314 13.373 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.989 13.777 12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.923 14.785 14.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.928 14.489 13.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.886 13.388 14.650 1.00 0.00 H new ATOM 883 N LYS A 58 -6.238 13.446 9.140 1.00 0.00 N ATOM 884 CA LYS A 58 -7.203 14.420 8.644 1.00 0.00 C ATOM 885 C LYS A 58 -8.408 13.723 8.020 1.00 0.00 C ATOM 886 O LYS A 58 -9.532 14.218 8.099 1.00 0.00 O ATOM 887 CB LYS A 58 -6.544 15.342 7.615 1.00 0.00 C ATOM 888 CG LYS A 58 -6.437 16.786 8.073 1.00 0.00 C ATOM 889 CD LYS A 58 -4.990 17.196 8.290 1.00 0.00 C ATOM 890 CE LYS A 58 -4.891 18.553 8.968 1.00 0.00 C ATOM 891 NZ LYS A 58 -5.382 18.508 10.374 1.00 0.00 N ATOM 0 H LYS A 58 -5.377 13.392 8.597 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.548 15.016 9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.546 14.966 7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.116 15.305 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.894 17.439 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.996 16.917 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.486 16.446 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.472 17.228 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.855 18.890 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.471 19.284 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.056 19.355 10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.422 18.480 10.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.011 17.658 10.844 1.00 0.00 H new ATOM 905 N MET A 59 -8.165 12.572 7.402 1.00 0.00 N ATOM 906 CA MET A 59 -9.232 11.806 6.767 1.00 0.00 C ATOM 907 C MET A 59 -10.320 11.450 7.776 1.00 0.00 C ATOM 908 O MET A 59 -10.123 11.571 8.985 1.00 0.00 O ATOM 909 CB MET A 59 -8.668 10.531 6.136 1.00 0.00 C ATOM 910 CG MET A 59 -8.073 10.749 4.755 1.00 0.00 C ATOM 911 SD MET A 59 -7.769 9.203 3.878 1.00 0.00 S ATOM 912 CE MET A 59 -6.657 8.382 5.016 1.00 0.00 C ATOM 0 H MET A 59 -7.240 12.149 7.327 1.00 0.00 H new ATOM 0 HA MET A 59 -9.674 12.424 5.986 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.901 10.119 6.792 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.462 9.787 6.067 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.749 11.369 4.166 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.137 11.299 4.850 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.391 7.401 4.621 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.754 8.981 5.138 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.147 8.263 5.982 1.00 0.00 H new ATOM 922 N LYS A 60 -11.468 11.011 7.271 1.00 0.00 N ATOM 923 CA LYS A 60 -12.587 10.636 8.127 1.00 0.00 C ATOM 924 C LYS A 60 -12.558 9.143 8.438 1.00 0.00 C ATOM 925 O LYS A 60 -11.602 8.447 8.098 1.00 0.00 O ATOM 926 CB LYS A 60 -13.913 11.002 7.457 1.00 0.00 C ATOM 927 CG LYS A 60 -14.021 12.471 7.085 1.00 0.00 C ATOM 928 CD LYS A 60 -14.651 13.285 8.203 1.00 0.00 C ATOM 929 CE LYS A 60 -15.022 14.683 7.733 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.191 14.668 6.811 1.00 0.00 N ATOM 0 H LYS A 60 -11.648 10.906 6.272 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.496 11.186 9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.035 10.398 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.733 10.744 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.029 12.864 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.617 12.575 6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.542 12.774 8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.957 13.354 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.249 15.308 8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.168 15.135 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.538 15.639 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.904 14.271 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.948 14.084 7.220 1.00 0.00 H new ATOM 944 N ASN A 61 -13.612 8.657 9.086 1.00 0.00 N ATOM 945 CA ASN A 61 -13.707 7.246 9.441 1.00 0.00 C ATOM 946 C ASN A 61 -13.832 6.378 8.193 1.00 0.00 C ATOM 947 O ASN A 61 -13.092 5.409 8.023 1.00 0.00 O ATOM 948 CB ASN A 61 -14.907 7.010 10.362 1.00 0.00 C ATOM 949 CG ASN A 61 -14.985 8.030 11.482 1.00 0.00 C ATOM 950 OD1 ASN A 61 -15.996 8.714 11.643 1.00 0.00 O ATOM 951 ND2 ASN A 61 -13.915 8.136 12.261 1.00 0.00 N ATOM 0 H ASN A 61 -14.412 9.220 9.376 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.793 6.967 9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.825 7.048 9.775 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.843 6.009 10.789 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.909 8.805 13.031 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.099 7.548 12.090 1.00 0.00 H new ATOM 958 N GLU A 62 -14.772 6.733 7.323 1.00 0.00 N ATOM 959 CA GLU A 62 -14.993 5.985 6.091 1.00 0.00 C ATOM 960 C GLU A 62 -13.797 6.119 5.151 1.00 0.00 C ATOM 961 O GLU A 62 -13.439 5.174 4.449 1.00 0.00 O ATOM 962 CB GLU A 62 -16.262 6.475 5.391 1.00 0.00 C ATOM 963 CG GLU A 62 -16.179 7.917 4.919 1.00 0.00 C ATOM 964 CD GLU A 62 -17.477 8.407 4.309 1.00 0.00 C ATOM 965 OE1 GLU A 62 -17.900 7.840 3.279 1.00 0.00 O ATOM 966 OE2 GLU A 62 -18.071 9.358 4.860 1.00 0.00 O ATOM 0 H GLU A 62 -15.392 7.533 7.448 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.113 4.933 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.465 5.832 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.106 6.373 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.914 8.556 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.379 8.009 4.184 1.00 0.00 H new ATOM 973 N GLU A 63 -13.186 7.299 5.145 1.00 0.00 N ATOM 974 CA GLU A 63 -12.032 7.557 4.292 1.00 0.00 C ATOM 975 C GLU A 63 -10.920 6.548 4.562 1.00 0.00 C ATOM 976 O GLU A 63 -10.091 6.275 3.694 1.00 0.00 O ATOM 977 CB GLU A 63 -11.512 8.979 4.515 1.00 0.00 C ATOM 978 CG GLU A 63 -12.464 10.058 4.029 1.00 0.00 C ATOM 979 CD GLU A 63 -12.523 10.146 2.516 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.493 9.873 1.865 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.600 10.488 1.984 1.00 0.00 O ATOM 0 H GLU A 63 -13.471 8.091 5.721 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.349 7.453 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.323 9.125 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.556 9.092 4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.463 9.858 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.152 11.021 4.433 1.00 0.00 H new ATOM 988 N ARG A 64 -10.907 6.000 5.773 1.00 0.00 N ATOM 989 CA ARG A 64 -9.896 5.023 6.159 1.00 0.00 C ATOM 990 C ARG A 64 -10.440 3.602 6.043 1.00 0.00 C ATOM 991 O ARG A 64 -9.682 2.650 5.857 1.00 0.00 O ATOM 992 CB ARG A 64 -9.424 5.285 7.590 1.00 0.00 C ATOM 993 CG ARG A 64 -8.617 6.564 7.741 1.00 0.00 C ATOM 994 CD ARG A 64 -8.338 6.877 9.203 1.00 0.00 C ATOM 995 NE ARG A 64 -9.454 7.578 9.834 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.377 8.156 11.027 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.244 8.118 11.715 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.435 8.775 11.535 1.00 0.00 N ATOM 0 H ARG A 64 -11.585 6.216 6.504 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.050 5.126 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.293 5.334 8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.819 4.442 7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.674 6.467 7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.159 7.393 7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.141 5.950 9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.438 7.487 9.278 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.340 7.626 9.331 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.428 7.644 11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.188 8.563 12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.308 8.807 11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.375 9.219 12.451 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.758 3.468 6.153 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.403 2.164 6.063 1.00 0.00 C ATOM 1014 C ARG A 65 -11.968 1.429 4.798 1.00 0.00 C ATOM 1015 O ARG A 65 -11.766 0.215 4.813 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.925 2.322 6.075 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.661 1.090 6.577 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.164 1.319 6.621 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.856 0.266 7.359 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.163 0.273 7.597 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -18.915 1.272 7.157 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.720 -0.722 8.276 1.00 0.00 N ATOM 0 H ARG A 65 -12.399 4.246 6.305 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.099 1.575 6.928 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.189 3.173 6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.266 2.552 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.440 0.243 5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.302 0.831 7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.370 2.283 7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.554 1.365 5.604 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.306 -0.518 7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.490 2.038 6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.918 1.275 7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.145 -1.493 8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.724 -0.716 8.458 1.00 0.00 H new ATOM 1036 N MET A 66 -11.826 2.173 3.706 1.00 0.00 N ATOM 1037 CA MET A 66 -11.414 1.591 2.434 1.00 0.00 C ATOM 1038 C MET A 66 -10.143 0.764 2.600 1.00 0.00 C ATOM 1039 O MET A 66 -9.948 -0.237 1.910 1.00 0.00 O ATOM 1040 CB MET A 66 -11.188 2.692 1.395 1.00 0.00 C ATOM 1041 CG MET A 66 -10.150 3.720 1.815 1.00 0.00 C ATOM 1042 SD MET A 66 -10.184 5.201 0.787 1.00 0.00 S ATOM 1043 CE MET A 66 -11.819 5.832 1.156 1.00 0.00 C ATOM 0 H MET A 66 -11.990 3.179 3.676 1.00 0.00 H new ATOM 0 HA MET A 66 -12.211 0.933 2.089 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.876 2.235 0.456 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.134 3.200 1.204 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.321 4.000 2.854 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.158 3.271 1.765 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.797 6.922 1.155 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.523 5.482 0.401 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.133 5.476 2.137 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.282 1.189 3.518 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.029 0.489 3.772 1.00 0.00 C ATOM 1055 C TYR A 67 -8.172 -0.475 4.946 1.00 0.00 C ATOM 1056 O TYR A 67 -7.517 -1.517 4.994 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.909 1.491 4.055 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.880 2.655 3.090 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.398 2.499 1.796 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.336 3.910 3.472 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.369 3.560 0.912 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.313 4.977 2.594 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.828 4.796 1.315 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.803 5.855 0.437 1.00 0.00 O ATOM 0 H TYR A 67 -9.429 2.015 4.098 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.777 -0.086 2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.023 1.874 5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.951 0.973 4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.040 1.532 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.715 4.055 4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.989 3.422 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.672 5.946 2.907 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.719 6.083 0.173 1.00 0.00 H new ATOM 1074 N THR A 68 -9.035 -0.120 5.894 1.00 0.00 N ATOM 1075 CA THR A 68 -9.265 -0.952 7.068 1.00 0.00 C ATOM 1076 C THR A 68 -9.760 -2.338 6.672 1.00 0.00 C ATOM 1077 O THR A 68 -9.084 -3.341 6.907 1.00 0.00 O ATOM 1078 CB THR A 68 -10.289 -0.307 8.021 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.134 1.117 8.016 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.118 -0.835 9.437 1.00 0.00 C ATOM 0 H THR A 68 -9.586 0.738 5.871 1.00 0.00 H new ATOM 0 HA THR A 68 -8.308 -1.044 7.582 1.00 0.00 H new ATOM 0 HB THR A 68 -11.289 -0.565 7.672 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.790 1.520 8.623 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.852 -0.365 10.092 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.265 -1.915 9.443 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.114 -0.604 9.793 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.943 -2.389 6.070 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.528 -3.654 5.639 1.00 0.00 C ATOM 1090 C LEU A 69 -10.652 -4.332 4.591 1.00 0.00 C ATOM 1091 O LEU A 69 -10.417 -5.538 4.651 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.931 -3.424 5.075 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.024 -3.113 6.099 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -15.092 -2.221 5.486 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.640 -4.399 6.629 1.00 0.00 C ATOM 0 H LEU A 69 -11.516 -1.569 5.869 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.594 -4.309 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.884 -2.601 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.226 -4.312 4.517 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.571 -2.580 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.861 -2.011 6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.640 -1.285 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.542 -2.727 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.415 -4.158 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.078 -4.960 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.868 -5.002 7.108 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.168 -3.546 3.634 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.316 -4.071 2.573 1.00 0.00 C ATOM 1109 C GLU A 70 -8.135 -4.841 3.156 1.00 0.00 C ATOM 1110 O GLU A 70 -7.947 -6.022 2.866 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.809 -2.932 1.686 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.855 -3.390 0.595 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.520 -4.308 -0.413 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.603 -3.947 -0.919 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -7.957 -5.386 -0.695 1.00 0.00 O ATOM 0 H GLU A 70 -10.351 -2.545 3.572 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.911 -4.755 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.662 -2.434 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.307 -2.193 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.454 -2.518 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.010 -3.907 1.050 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.342 -4.163 3.979 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.180 -4.783 4.604 1.00 0.00 C ATOM 1124 C ALA A 71 -6.598 -5.902 5.552 1.00 0.00 C ATOM 1125 O ALA A 71 -5.979 -6.965 5.587 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.359 -3.739 5.346 1.00 0.00 C ATOM 0 H ALA A 71 -7.483 -3.184 4.229 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.565 -5.220 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.495 -4.217 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.021 -2.976 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.973 -3.275 6.118 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.652 -5.655 6.323 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.155 -6.641 7.272 1.00 0.00 C ATOM 1134 C LYS A 72 -8.456 -7.963 6.575 1.00 0.00 C ATOM 1135 O LYS A 72 -8.329 -9.033 7.170 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.416 -6.117 7.963 1.00 0.00 C ATOM 1137 CG LYS A 72 -9.985 -7.074 8.997 1.00 0.00 C ATOM 1138 CD LYS A 72 -10.869 -6.350 9.999 1.00 0.00 C ATOM 1139 CE LYS A 72 -11.760 -7.321 10.758 1.00 0.00 C ATOM 1140 NZ LYS A 72 -10.975 -8.201 11.666 1.00 0.00 N ATOM 0 H LYS A 72 -8.175 -4.779 6.309 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.383 -6.814 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.187 -5.167 8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.177 -5.916 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.562 -7.851 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.169 -7.571 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.246 -5.799 10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.487 -5.618 9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.494 -6.762 11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.315 -7.934 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.619 -8.848 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.292 -8.753 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.465 -7.618 12.359 1.00 0.00 H new ATOM 1154 N ALA A 73 -8.854 -7.883 5.309 1.00 0.00 N ATOM 1155 CA ALA A 73 -9.169 -9.074 4.530 1.00 0.00 C ATOM 1156 C ALA A 73 -7.899 -9.761 4.039 1.00 0.00 C ATOM 1157 O ALA A 73 -7.874 -10.977 3.848 1.00 0.00 O ATOM 1158 CB ALA A 73 -10.065 -8.713 3.355 1.00 0.00 C ATOM 0 H ALA A 73 -8.966 -7.005 4.801 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.700 -9.772 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.293 -9.612 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.992 -8.274 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.554 -7.994 2.715 1.00 0.00 H new ATOM 1164 N LEU A 74 -6.848 -8.975 3.837 1.00 0.00 N ATOM 1165 CA LEU A 74 -5.574 -9.508 3.367 1.00 0.00 C ATOM 1166 C LEU A 74 -4.918 -10.374 4.437 1.00 0.00 C ATOM 1167 O LEU A 74 -4.342 -11.419 4.137 1.00 0.00 O ATOM 1168 CB LEU A 74 -4.635 -8.366 2.972 1.00 0.00 C ATOM 1169 CG LEU A 74 -4.651 -7.964 1.497 1.00 0.00 C ATOM 1170 CD1 LEU A 74 -5.939 -7.232 1.157 1.00 0.00 C ATOM 1171 CD2 LEU A 74 -3.442 -7.101 1.166 1.00 0.00 C ATOM 0 H LEU A 74 -6.852 -7.967 3.991 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.769 -10.129 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.889 -7.490 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.617 -8.650 3.240 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.602 -8.870 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.932 -6.954 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.791 -7.883 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.019 -6.333 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.470 -6.824 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.460 -6.199 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.529 -7.660 1.370 1.00 0.00 H new ATOM 1183 N ALA A 75 -5.010 -9.932 5.687 1.00 0.00 N ATOM 1184 CA ALA A 75 -4.430 -10.668 6.803 1.00 0.00 C ATOM 1185 C ALA A 75 -5.236 -11.926 7.110 1.00 0.00 C ATOM 1186 O ALA A 75 -4.708 -12.893 7.657 1.00 0.00 O ATOM 1187 CB ALA A 75 -4.345 -9.779 8.035 1.00 0.00 C ATOM 0 H ALA A 75 -5.481 -9.067 5.952 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.423 -10.974 6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.910 -10.342 8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.720 -8.913 7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.345 -9.444 8.311 1.00 0.00 H new ATOM 1193 N GLU A 76 -6.516 -11.904 6.754 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.395 -13.043 6.993 1.00 0.00 C ATOM 1195 C GLU A 76 -7.385 -13.997 5.803 1.00 0.00 C ATOM 1196 O GLU A 76 -7.704 -15.178 5.938 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.823 -12.566 7.266 1.00 0.00 C ATOM 1198 CG GLU A 76 -8.928 -11.594 8.429 1.00 0.00 C ATOM 1199 CD GLU A 76 -9.210 -12.289 9.747 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -8.848 -13.477 9.880 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -9.795 -11.646 10.644 1.00 0.00 O ATOM 0 H GLU A 76 -6.968 -11.111 6.299 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.025 -13.577 7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.216 -12.089 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.454 -13.432 7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.999 -11.030 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.721 -10.874 8.225 1.00 0.00 H new ATOM 1208 N GLU A 77 -7.016 -13.476 4.637 1.00 0.00 N ATOM 1209 CA GLU A 77 -6.966 -14.281 3.422 1.00 0.00 C ATOM 1210 C GLU A 77 -5.569 -14.855 3.207 1.00 0.00 C ATOM 1211 O GLU A 77 -5.412 -15.940 2.649 1.00 0.00 O ATOM 1212 CB GLU A 77 -7.377 -13.442 2.210 1.00 0.00 C ATOM 1213 CG GLU A 77 -7.380 -14.220 0.904 1.00 0.00 C ATOM 1214 CD GLU A 77 -8.725 -14.183 0.206 1.00 0.00 C ATOM 1215 OE1 GLU A 77 -9.701 -14.719 0.771 1.00 0.00 O ATOM 1216 OE2 GLU A 77 -8.802 -13.618 -0.905 1.00 0.00 O ATOM 0 H GLU A 77 -6.747 -12.500 4.508 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.666 -15.108 3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.373 -13.034 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.697 -12.595 2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.619 -13.811 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.106 -15.256 1.102 1.00 0.00 H new ATOM 1223 N GLN A 78 -4.557 -14.117 3.653 1.00 0.00 N ATOM 1224 CA GLN A 78 -3.173 -14.551 3.508 1.00 0.00 C ATOM 1225 C GLN A 78 -2.844 -15.661 4.501 1.00 0.00 C ATOM 1226 O GLN A 78 -2.103 -16.592 4.185 1.00 0.00 O ATOM 1227 CB GLN A 78 -2.222 -13.371 3.711 1.00 0.00 C ATOM 1228 CG GLN A 78 -2.149 -12.435 2.515 1.00 0.00 C ATOM 1229 CD GLN A 78 -1.100 -12.860 1.506 1.00 0.00 C ATOM 1230 OE1 GLN A 78 -0.677 -14.016 1.482 1.00 0.00 O ATOM 1231 NE2 GLN A 78 -0.675 -11.924 0.665 1.00 0.00 N ATOM 0 H GLN A 78 -4.670 -13.216 4.118 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.045 -14.942 2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.541 -12.805 4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.224 -13.752 3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.123 -12.398 2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.927 -11.426 2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.053 -10.978 0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.030 -12.151 -0.037 1.00 0.00 H new ATOM 1240 N LYS A 79 -3.400 -15.556 5.704 1.00 0.00 N ATOM 1241 CA LYS A 79 -3.167 -16.551 6.744 1.00 0.00 C ATOM 1242 C LYS A 79 -3.559 -17.944 6.262 1.00 0.00 C ATOM 1243 O LYS A 79 -2.992 -18.945 6.700 1.00 0.00 O ATOM 1244 CB LYS A 79 -3.957 -16.195 8.005 1.00 0.00 C ATOM 1245 CG LYS A 79 -5.444 -16.483 7.893 1.00 0.00 C ATOM 1246 CD LYS A 79 -6.190 -16.060 9.147 1.00 0.00 C ATOM 1247 CE LYS A 79 -7.514 -16.796 9.283 1.00 0.00 C ATOM 1248 NZ LYS A 79 -8.618 -16.085 8.580 1.00 0.00 N ATOM 0 H LYS A 79 -4.015 -14.791 5.982 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.102 -16.553 6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.550 -16.753 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.816 -15.137 8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.853 -15.957 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.597 -17.548 7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.572 -16.256 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.371 -14.986 9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.414 -17.803 8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.764 -16.902 10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.465 -16.688 8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.833 -15.198 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.328 -15.871 7.605 1.00 0.00 H new ATOM 1262 N ARG A 80 -4.532 -18.001 5.358 1.00 0.00 N ATOM 1263 CA ARG A 80 -4.999 -19.271 4.817 1.00 0.00 C ATOM 1264 C ARG A 80 -4.047 -19.788 3.742 1.00 0.00 C ATOM 1265 O ARG A 80 -3.834 -20.994 3.614 1.00 0.00 O ATOM 1266 CB ARG A 80 -6.405 -19.116 4.235 1.00 0.00 C ATOM 1267 CG ARG A 80 -7.363 -18.367 5.148 1.00 0.00 C ATOM 1268 CD ARG A 80 -7.606 -19.127 6.443 1.00 0.00 C ATOM 1269 NE ARG A 80 -7.997 -20.512 6.200 1.00 0.00 N ATOM 1270 CZ ARG A 80 -7.998 -21.452 7.140 1.00 0.00 C ATOM 1271 NH1 ARG A 80 -7.631 -21.155 8.379 1.00 0.00 N ATOM 1272 NH2 ARG A 80 -8.368 -22.690 6.841 1.00 0.00 N ATOM 0 H ARG A 80 -5.012 -17.182 4.985 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.028 -19.995 5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.339 -18.591 3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.814 -20.105 4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -6.956 -17.381 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.311 -18.210 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.701 -19.107 7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.386 -18.626 7.017 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.285 -20.773 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.347 -20.204 8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.633 -21.878 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.652 -22.922 5.889 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.368 -23.411 7.563 1.00 0.00 H new ATOM 1286 N LEU A 81 -3.477 -18.867 2.972 1.00 0.00 N ATOM 1287 CA LEU A 81 -2.547 -19.229 1.908 1.00 0.00 C ATOM 1288 C LEU A 81 -1.207 -19.677 2.484 1.00 0.00 C ATOM 1289 O LEU A 81 -0.489 -20.465 1.870 1.00 0.00 O ATOM 1290 CB LEU A 81 -2.338 -18.045 0.962 1.00 0.00 C ATOM 1291 CG LEU A 81 -3.280 -17.973 -0.241 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -3.424 -16.537 -0.721 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -2.777 -18.866 -1.366 1.00 0.00 C ATOM 0 H LEU A 81 -3.643 -17.865 3.065 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.978 -20.061 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.443 -17.124 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.313 -18.076 0.594 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.262 -18.331 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.098 -16.505 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.830 -15.924 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.447 -16.151 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.459 -18.802 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.784 -18.539 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.727 -19.897 -1.017 1.00 0.00 H new ATOM 1305 N ASN A 82 -0.879 -19.170 3.668 1.00 0.00 N ATOM 1306 CA ASN A 82 0.374 -19.519 4.328 1.00 0.00 C ATOM 1307 C ASN A 82 0.135 -19.891 5.787 1.00 0.00 C ATOM 1308 O ASN A 82 0.412 -19.118 6.705 1.00 0.00 O ATOM 1309 CB ASN A 82 1.361 -18.353 4.242 1.00 0.00 C ATOM 1310 CG ASN A 82 0.664 -17.008 4.174 1.00 0.00 C ATOM 1311 OD1 ASN A 82 0.384 -16.389 5.200 1.00 0.00 O ATOM 1312 ND2 ASN A 82 0.380 -16.550 2.960 1.00 0.00 N ATOM 0 H ASN A 82 -1.463 -18.517 4.190 1.00 0.00 H new ATOM 0 HA ASN A 82 0.797 -20.383 3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.020 -18.374 5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.990 -18.478 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.089 -15.651 2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 82 0.631 -17.097 2.137 1.00 0.00 H new ATOM 1319 N PRO A 83 -0.393 -21.104 6.010 1.00 0.00 N ATOM 1320 CA PRO A 83 -0.681 -21.608 7.356 1.00 0.00 C ATOM 1321 C PRO A 83 0.588 -21.907 8.146 1.00 0.00 C ATOM 1322 O PRO A 83 0.725 -21.496 9.299 1.00 0.00 O ATOM 1323 CB PRO A 83 -1.463 -22.897 7.093 1.00 0.00 C ATOM 1324 CG PRO A 83 -1.025 -23.336 5.739 1.00 0.00 C ATOM 1325 CD PRO A 83 -0.749 -22.078 4.964 1.00 0.00 C ATOM 0 HA PRO A 83 -1.225 -20.879 7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.242 -23.654 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.538 -22.721 7.124 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.133 -23.960 5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.798 -23.932 5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.063 -22.216 4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.622 -21.756 4.396 1.00 0.00 H new ATOM 1333 N ASP A 84 1.515 -22.624 7.519 1.00 0.00 N ATOM 1334 CA ASP A 84 2.774 -22.978 8.164 1.00 0.00 C ATOM 1335 C ASP A 84 2.528 -23.593 9.538 1.00 0.00 C ATOM 1336 O ASP A 84 3.146 -23.196 10.527 1.00 0.00 O ATOM 1337 CB ASP A 84 3.667 -21.743 8.297 1.00 0.00 C ATOM 1338 CG ASP A 84 3.479 -20.766 7.153 1.00 0.00 C ATOM 1339 OD1 ASP A 84 3.440 -21.216 5.989 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.370 -19.551 7.422 1.00 0.00 O ATOM 0 H ASP A 84 1.418 -22.971 6.565 1.00 0.00 H new ATOM 0 HA ASP A 84 3.278 -23.717 7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.449 -21.241 9.239 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.711 -22.055 8.336 1.00 0.00 H new ATOM 1345 N CYS A 85 1.620 -24.562 9.593 1.00 0.00 N ATOM 1346 CA CYS A 85 1.291 -25.230 10.846 1.00 0.00 C ATOM 1347 C CYS A 85 1.155 -26.736 10.640 1.00 0.00 C ATOM 1348 O CYS A 85 1.260 -27.230 9.518 1.00 0.00 O ATOM 1349 CB CYS A 85 -0.007 -24.664 11.424 1.00 0.00 C ATOM 1350 SG CYS A 85 0.129 -22.960 12.012 1.00 0.00 S ATOM 0 H CYS A 85 1.099 -24.902 8.784 1.00 0.00 H new ATOM 0 HA CYS A 85 2.104 -25.049 11.550 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.784 -24.713 10.661 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -0.331 -25.297 12.250 1.00 0.00 H new ATOM 0 HG CYS A 85 0.363 -22.171 11.006 1.00 0.00 H new ATOM 1356 N TRP A 86 0.924 -27.458 11.730 1.00 0.00 N ATOM 1357 CA TRP A 86 0.776 -28.908 11.669 1.00 0.00 C ATOM 1358 C TRP A 86 -0.695 -29.303 11.600 1.00 0.00 C ATOM 1359 O TRP A 86 -1.198 -30.015 12.469 1.00 0.00 O ATOM 1360 CB TRP A 86 1.436 -29.560 12.885 1.00 0.00 C ATOM 1361 CG TRP A 86 2.932 -29.597 12.801 1.00 0.00 C ATOM 1362 CD1 TRP A 86 3.723 -28.877 11.951 1.00 0.00 C ATOM 1363 CD2 TRP A 86 3.816 -30.396 13.594 1.00 0.00 C ATOM 1364 NE1 TRP A 86 5.045 -29.180 12.169 1.00 0.00 N ATOM 1365 CE2 TRP A 86 5.129 -30.109 13.173 1.00 0.00 C ATOM 1366 CE3 TRP A 86 3.626 -31.324 14.622 1.00 0.00 C ATOM 1367 CZ2 TRP A 86 6.243 -30.718 13.743 1.00 0.00 C ATOM 1368 CZ3 TRP A 86 4.733 -31.928 15.186 1.00 0.00 C ATOM 1369 CH2 TRP A 86 6.028 -31.623 14.746 1.00 0.00 C ATOM 0 H TRP A 86 0.835 -27.064 12.667 1.00 0.00 H new ATOM 0 HA TRP A 86 1.270 -29.261 10.764 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.143 -29.016 13.783 1.00 0.00 H new ATOM 0 HB3 TRP A 86 1.060 -30.578 12.991 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.362 -28.173 11.216 1.00 0.00 H new ATOM 0 HE1 TRP A 86 5.836 -28.779 11.665 1.00 0.00 H new ATOM 0 HE3 TRP A 86 2.632 -31.564 14.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 7.242 -30.484 13.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 4.598 -32.648 15.980 1.00 0.00 H new ATOM 0 HH2 TRP A 86 6.873 -32.112 15.208 1.00 0.00 H new ATOM 1380 N LYS A 87 -1.380 -28.836 10.562 1.00 0.00 N ATOM 1381 CA LYS A 87 -2.794 -29.142 10.379 1.00 0.00 C ATOM 1382 C LYS A 87 -3.037 -30.647 10.430 1.00 0.00 C ATOM 1383 O LYS A 87 -2.097 -31.440 10.362 1.00 0.00 O ATOM 1384 CB LYS A 87 -3.290 -28.580 9.044 1.00 0.00 C ATOM 1385 CG LYS A 87 -2.578 -29.164 7.837 1.00 0.00 C ATOM 1386 CD LYS A 87 -1.436 -28.273 7.378 1.00 0.00 C ATOM 1387 CE LYS A 87 -1.131 -28.473 5.901 1.00 0.00 C ATOM 1388 NZ LYS A 87 -0.188 -27.443 5.385 1.00 0.00 N ATOM 0 H LYS A 87 -0.979 -28.244 9.834 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.349 -28.675 11.192 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.359 -28.772 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.160 -27.498 9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.192 -30.153 8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.289 -29.294 7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.692 -27.229 7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.545 -28.490 7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.704 -29.464 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.059 -28.434 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.006 -27.614 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.606 -26.498 5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.707 -27.496 5.912 1.00 0.00 H new TER 1402 LYS A 87