USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 603 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 44 GLN :FLIP amide:sc=0.000553 X(o=-4.8,f=-4.8) USER MOD Set 1.2: A 46 HIS :FLIP no HD1:sc= -4.77! C(o=-6.1!,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc= 0.00165 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 59:sc= 0.22 USER MOD Single : A 8 SER OG : rot 45:sc= 1.27 USER MOD Single : A 9 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc=-0.00867 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 58:sc= 0.627 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00439 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.034 USER MOD Single : A 28 GLN : amide:sc= -4.24 K(o=-4.2,f=-6.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -130:sc= 0.0446 (180deg=-0.209) USER MOD Single : A 32 MET CE :methyl -144:sc= -2.77! (180deg=-5.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot -81:sc= -5.68! USER MOD Single : A 58 THR OG1 : rot -168:sc= -0.0685! USER MOD Single : A 63 GLN : amide:sc=-0.00533 X(o=-0.0053,f=-0.23) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 178:sc= -5.01! (180deg=-5.07!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.292! K(o=-0.29!,f=-0.88) USER MOD Single : A 72 ASN : amide:sc= 0.542 K(o=0.54,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.033) USER MOD Single : A 75 SER OG : rot 58:sc= 0.314 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.724 26.057 -9.599 1.00 0.00 N ATOM 2 CA GLY A 1 -6.209 24.699 -9.661 1.00 0.00 C ATOM 3 C GLY A 1 -7.175 23.780 -10.410 1.00 0.00 C ATOM 4 O GLY A 1 -7.298 23.864 -11.631 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.050 26.661 -9.086 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.853 26.424 -10.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.638 26.059 -9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.239 24.696 -10.159 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.050 24.320 -8.651 1.00 0.00 H new ATOM 8 N SER A 2 -7.837 22.923 -9.647 1.00 0.00 N ATOM 9 CA SER A 2 -8.789 21.988 -10.223 1.00 0.00 C ATOM 10 C SER A 2 -9.622 21.340 -9.115 1.00 0.00 C ATOM 11 O SER A 2 -9.138 21.149 -8.001 1.00 0.00 O ATOM 12 CB SER A 2 -8.077 20.915 -11.049 1.00 0.00 C ATOM 13 OG SER A 2 -7.086 20.228 -10.290 1.00 0.00 O ATOM 0 H SER A 2 -7.733 22.856 -8.635 1.00 0.00 H new ATOM 0 HA SER A 2 -9.451 22.541 -10.890 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.809 20.199 -11.422 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.611 21.377 -11.920 1.00 0.00 H new ATOM 0 HG SER A 2 -6.655 19.550 -10.852 1.00 0.00 H new ATOM 19 N SER A 3 -10.861 21.020 -9.461 1.00 0.00 N ATOM 20 CA SER A 3 -11.765 20.397 -8.509 1.00 0.00 C ATOM 21 C SER A 3 -12.870 19.644 -9.253 1.00 0.00 C ATOM 22 O SER A 3 -13.094 19.877 -10.440 1.00 0.00 O ATOM 23 CB SER A 3 -12.374 21.436 -7.566 1.00 0.00 C ATOM 24 OG SER A 3 -11.805 21.372 -6.261 1.00 0.00 O ATOM 0 H SER A 3 -11.259 21.180 -10.386 1.00 0.00 H new ATOM 0 HA SER A 3 -11.194 19.691 -7.907 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.222 22.433 -7.979 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.451 21.279 -7.500 1.00 0.00 H new ATOM 0 HG SER A 3 -10.835 21.251 -6.333 1.00 0.00 H new ATOM 30 N GLY A 4 -13.530 18.755 -8.525 1.00 0.00 N ATOM 31 CA GLY A 4 -14.606 17.967 -9.101 1.00 0.00 C ATOM 32 C GLY A 4 -14.588 16.536 -8.559 1.00 0.00 C ATOM 33 O GLY A 4 -15.461 16.153 -7.782 1.00 0.00 O ATOM 0 H GLY A 4 -13.340 18.563 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.565 18.433 -8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.508 17.950 -10.186 1.00 0.00 H new ATOM 37 N SER A 5 -13.585 15.786 -8.990 1.00 0.00 N ATOM 38 CA SER A 5 -13.442 14.407 -8.557 1.00 0.00 C ATOM 39 C SER A 5 -12.955 14.361 -7.107 1.00 0.00 C ATOM 40 O SER A 5 -12.371 15.324 -6.614 1.00 0.00 O ATOM 41 CB SER A 5 -12.478 13.641 -9.465 1.00 0.00 C ATOM 42 OG SER A 5 -11.243 14.332 -9.635 1.00 0.00 O ATOM 0 H SER A 5 -12.863 16.107 -9.635 1.00 0.00 H new ATOM 0 HA SER A 5 -14.418 13.926 -8.621 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.287 12.655 -9.041 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.943 13.485 -10.438 1.00 0.00 H new ATOM 0 HG SER A 5 -10.654 13.810 -10.219 1.00 0.00 H new ATOM 48 N SER A 6 -13.213 13.231 -6.465 1.00 0.00 N ATOM 49 CA SER A 6 -12.808 13.047 -5.082 1.00 0.00 C ATOM 50 C SER A 6 -13.172 11.636 -4.613 1.00 0.00 C ATOM 51 O SER A 6 -14.262 11.415 -4.088 1.00 0.00 O ATOM 52 CB SER A 6 -13.459 14.092 -4.173 1.00 0.00 C ATOM 53 OG SER A 6 -12.520 15.062 -3.718 1.00 0.00 O ATOM 0 H SER A 6 -13.698 12.434 -6.877 1.00 0.00 H new ATOM 0 HA SER A 6 -11.727 13.176 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.264 14.591 -4.713 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.911 13.595 -3.315 1.00 0.00 H new ATOM 0 HG SER A 6 -12.116 15.512 -4.489 1.00 0.00 H new ATOM 59 N GLY A 7 -12.238 10.719 -4.820 1.00 0.00 N ATOM 60 CA GLY A 7 -12.447 9.337 -4.426 1.00 0.00 C ATOM 61 C GLY A 7 -11.386 8.424 -5.045 1.00 0.00 C ATOM 62 O GLY A 7 -10.280 8.305 -4.520 1.00 0.00 O ATOM 0 H GLY A 7 -11.335 10.907 -5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.413 9.256 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.439 9.012 -4.739 1.00 0.00 H new ATOM 66 N SER A 8 -11.761 7.802 -6.153 1.00 0.00 N ATOM 67 CA SER A 8 -10.857 6.903 -6.850 1.00 0.00 C ATOM 68 C SER A 8 -11.597 6.190 -7.983 1.00 0.00 C ATOM 69 O SER A 8 -12.331 5.233 -7.744 1.00 0.00 O ATOM 70 CB SER A 8 -10.247 5.881 -5.888 1.00 0.00 C ATOM 71 OG SER A 8 -8.999 6.322 -5.361 1.00 0.00 O ATOM 0 H SER A 8 -12.679 7.903 -6.586 1.00 0.00 H new ATOM 0 HA SER A 8 -10.045 7.495 -7.272 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.941 5.695 -5.068 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.106 4.933 -6.408 1.00 0.00 H new ATOM 0 HG SER A 8 -9.072 7.261 -5.090 1.00 0.00 H new ATOM 77 N ASN A 9 -11.378 6.684 -9.193 1.00 0.00 N ATOM 78 CA ASN A 9 -12.015 6.106 -10.364 1.00 0.00 C ATOM 79 C ASN A 9 -11.270 4.833 -10.769 1.00 0.00 C ATOM 80 O ASN A 9 -10.055 4.855 -10.961 1.00 0.00 O ATOM 81 CB ASN A 9 -11.974 7.075 -11.548 1.00 0.00 C ATOM 82 CG ASN A 9 -13.112 8.093 -11.463 1.00 0.00 C ATOM 83 OD1 ASN A 9 -13.167 8.929 -10.576 1.00 0.00 O ATOM 84 ND2 ASN A 9 -14.015 7.978 -12.433 1.00 0.00 N ATOM 0 H ASN A 9 -10.768 7.478 -9.388 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.053 5.889 -10.111 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.016 7.595 -11.564 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.049 6.517 -12.482 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -14.813 8.612 -12.465 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -13.909 7.256 -13.145 1.00 0.00 H new ATOM 91 N PRO A 10 -12.049 3.725 -10.889 1.00 0.00 N ATOM 92 CA PRO A 10 -11.475 2.444 -11.267 1.00 0.00 C ATOM 93 C PRO A 10 -11.141 2.413 -12.759 1.00 0.00 C ATOM 94 O PRO A 10 -10.080 1.928 -13.151 1.00 0.00 O ATOM 95 CB PRO A 10 -12.519 1.413 -10.871 1.00 0.00 C ATOM 96 CG PRO A 10 -13.823 2.179 -10.715 1.00 0.00 C ATOM 97 CD PRO A 10 -13.491 3.661 -10.668 1.00 0.00 C ATOM 0 HA PRO A 10 -10.527 2.244 -10.767 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.610 0.637 -11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.244 0.916 -9.941 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.494 1.964 -11.547 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.338 1.874 -9.804 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.034 4.213 -11.435 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.764 4.098 -9.707 1.00 0.00 H new ATOM 105 N SER A 11 -12.065 2.936 -13.552 1.00 0.00 N ATOM 106 CA SER A 11 -11.881 2.974 -14.993 1.00 0.00 C ATOM 107 C SER A 11 -11.895 1.553 -15.560 1.00 0.00 C ATOM 108 O SER A 11 -12.848 1.158 -16.231 1.00 0.00 O ATOM 109 CB SER A 11 -10.575 3.680 -15.363 1.00 0.00 C ATOM 110 OG SER A 11 -10.808 4.921 -16.024 1.00 0.00 O ATOM 0 H SER A 11 -12.944 3.337 -13.224 1.00 0.00 H new ATOM 0 HA SER A 11 -12.705 3.540 -15.428 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.989 3.854 -14.461 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.982 3.031 -16.008 1.00 0.00 H new ATOM 0 HG SER A 11 -9.950 5.342 -16.242 1.00 0.00 H new ATOM 116 N SER A 12 -10.828 0.823 -15.269 1.00 0.00 N ATOM 117 CA SER A 12 -10.706 -0.545 -15.742 1.00 0.00 C ATOM 118 C SER A 12 -11.327 -1.507 -14.726 1.00 0.00 C ATOM 119 O SER A 12 -10.817 -1.659 -13.618 1.00 0.00 O ATOM 120 CB SER A 12 -9.243 -0.912 -15.994 1.00 0.00 C ATOM 121 OG SER A 12 -8.969 -1.093 -17.380 1.00 0.00 O ATOM 0 H SER A 12 -10.040 1.153 -14.712 1.00 0.00 H new ATOM 0 HA SER A 12 -11.242 -0.629 -16.688 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.599 -0.128 -15.597 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.001 -1.827 -15.454 1.00 0.00 H new ATOM 0 HG SER A 12 -8.024 -1.325 -17.499 1.00 0.00 H new ATOM 127 N SER A 13 -12.420 -2.130 -15.142 1.00 0.00 N ATOM 128 CA SER A 13 -13.116 -3.073 -14.282 1.00 0.00 C ATOM 129 C SER A 13 -12.655 -4.499 -14.588 1.00 0.00 C ATOM 130 O SER A 13 -12.121 -4.765 -15.664 1.00 0.00 O ATOM 131 CB SER A 13 -14.632 -2.957 -14.453 1.00 0.00 C ATOM 132 OG SER A 13 -15.337 -3.800 -13.545 1.00 0.00 O ATOM 0 H SER A 13 -12.841 -2.001 -16.062 1.00 0.00 H new ATOM 0 HA SER A 13 -12.874 -2.835 -13.246 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.936 -1.922 -14.298 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.903 -3.219 -15.476 1.00 0.00 H new ATOM 0 HG SER A 13 -16.302 -3.696 -13.684 1.00 0.00 H new ATOM 138 N GLY A 14 -12.877 -5.379 -13.622 1.00 0.00 N ATOM 139 CA GLY A 14 -12.491 -6.771 -13.775 1.00 0.00 C ATOM 140 C GLY A 14 -11.323 -7.120 -12.851 1.00 0.00 C ATOM 141 O GLY A 14 -10.419 -6.309 -12.654 1.00 0.00 O ATOM 0 H GLY A 14 -13.319 -5.154 -12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.342 -7.415 -13.551 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.210 -6.963 -14.811 1.00 0.00 H new ATOM 145 N GLY A 15 -11.379 -8.328 -12.309 1.00 0.00 N ATOM 146 CA GLY A 15 -10.337 -8.794 -11.410 1.00 0.00 C ATOM 147 C GLY A 15 -8.988 -8.873 -12.129 1.00 0.00 C ATOM 148 O GLY A 15 -8.209 -7.922 -12.100 1.00 0.00 O ATOM 0 H GLY A 15 -12.130 -8.998 -12.475 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.260 -8.120 -10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.602 -9.776 -11.018 1.00 0.00 H new ATOM 152 N THR A 16 -8.755 -10.017 -12.756 1.00 0.00 N ATOM 153 CA THR A 16 -7.514 -10.233 -13.481 1.00 0.00 C ATOM 154 C THR A 16 -7.462 -9.345 -14.726 1.00 0.00 C ATOM 155 O THR A 16 -8.488 -8.829 -15.168 1.00 0.00 O ATOM 156 CB THR A 16 -7.403 -11.726 -13.794 1.00 0.00 C ATOM 157 OG1 THR A 16 -7.298 -12.342 -12.513 1.00 0.00 O ATOM 158 CG2 THR A 16 -6.087 -12.083 -14.489 1.00 0.00 C ATOM 0 H THR A 16 -9.404 -10.804 -12.777 1.00 0.00 H new ATOM 0 HA THR A 16 -6.650 -9.947 -12.881 1.00 0.00 H new ATOM 0 HB THR A 16 -8.239 -12.028 -14.425 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.224 -13.313 -12.622 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.060 -13.154 -14.688 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.012 -11.537 -15.429 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.250 -11.812 -13.845 1.00 0.00 H new ATOM 166 N THR A 17 -6.258 -9.196 -15.258 1.00 0.00 N ATOM 167 CA THR A 17 -6.060 -8.380 -16.444 1.00 0.00 C ATOM 168 C THR A 17 -4.659 -8.604 -17.016 1.00 0.00 C ATOM 169 O THR A 17 -3.666 -8.491 -16.299 1.00 0.00 O ATOM 170 CB THR A 17 -6.337 -6.923 -16.067 1.00 0.00 C ATOM 171 OG1 THR A 17 -7.595 -6.642 -16.674 1.00 0.00 O ATOM 172 CG2 THR A 17 -5.371 -5.949 -16.745 1.00 0.00 C ATOM 0 H THR A 17 -5.410 -9.626 -14.890 1.00 0.00 H new ATOM 0 HA THR A 17 -6.751 -8.662 -17.239 1.00 0.00 H new ATOM 0 HB THR A 17 -6.268 -6.808 -14.985 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.266 -7.275 -16.344 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.611 -4.929 -16.444 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.349 -6.184 -16.448 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.464 -6.039 -17.827 1.00 0.00 H new ATOM 180 N LYS A 18 -4.623 -8.916 -18.303 1.00 0.00 N ATOM 181 CA LYS A 18 -3.360 -9.157 -18.981 1.00 0.00 C ATOM 182 C LYS A 18 -2.327 -8.135 -18.502 1.00 0.00 C ATOM 183 O LYS A 18 -1.252 -8.506 -18.034 1.00 0.00 O ATOM 184 CB LYS A 18 -3.559 -9.166 -20.498 1.00 0.00 C ATOM 185 CG LYS A 18 -4.292 -7.906 -20.962 1.00 0.00 C ATOM 186 CD LYS A 18 -5.022 -8.152 -22.284 1.00 0.00 C ATOM 187 CE LYS A 18 -4.915 -6.934 -23.204 1.00 0.00 C ATOM 188 NZ LYS A 18 -6.050 -6.902 -24.154 1.00 0.00 N ATOM 0 H LYS A 18 -5.449 -9.008 -18.895 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.974 -10.144 -18.728 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.591 -9.232 -20.995 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.127 -10.050 -20.789 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.007 -7.595 -20.200 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.580 -7.090 -21.082 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.599 -9.025 -22.780 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.071 -8.374 -22.089 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.905 -6.021 -22.609 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.974 -6.967 -23.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.963 -6.070 -24.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.042 -7.765 -24.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.944 -6.849 -23.625 1.00 0.00 H new ATOM 202 N ARG A 19 -2.690 -6.867 -18.635 1.00 0.00 N ATOM 203 CA ARG A 19 -1.808 -5.789 -18.222 1.00 0.00 C ATOM 204 C ARG A 19 -1.317 -6.023 -16.792 1.00 0.00 C ATOM 205 O ARG A 19 -2.028 -5.728 -15.832 1.00 0.00 O ATOM 206 CB ARG A 19 -2.520 -4.437 -18.295 1.00 0.00 C ATOM 207 CG ARG A 19 -2.641 -3.959 -19.743 1.00 0.00 C ATOM 208 CD ARG A 19 -3.536 -2.721 -19.838 1.00 0.00 C ATOM 209 NE ARG A 19 -4.703 -3.006 -20.704 1.00 0.00 N ATOM 210 CZ ARG A 19 -5.665 -2.117 -20.984 1.00 0.00 C ATOM 211 NH1 ARG A 19 -5.606 -0.881 -20.470 1.00 0.00 N ATOM 212 NH2 ARG A 19 -6.686 -2.463 -21.779 1.00 0.00 N ATOM 0 H ARG A 19 -3.583 -6.563 -19.023 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.958 -5.776 -18.904 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.512 -4.520 -17.852 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.970 -3.700 -17.710 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.651 -3.728 -20.138 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.052 -4.758 -20.360 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.873 -2.429 -18.844 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.969 -1.882 -20.242 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.779 -3.937 -21.113 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.828 -0.617 -19.865 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.339 -0.204 -20.684 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.731 -3.404 -22.171 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.419 -1.786 -21.992 1.00 0.00 H new ATOM 226 N PHE A 20 -0.106 -6.552 -16.694 1.00 0.00 N ATOM 227 CA PHE A 20 0.487 -6.829 -15.397 1.00 0.00 C ATOM 228 C PHE A 20 1.026 -5.548 -14.756 1.00 0.00 C ATOM 229 O PHE A 20 1.833 -4.841 -15.358 1.00 0.00 O ATOM 230 CB PHE A 20 1.650 -7.795 -15.635 1.00 0.00 C ATOM 231 CG PHE A 20 1.267 -9.048 -16.424 1.00 0.00 C ATOM 232 CD1 PHE A 20 0.645 -10.083 -15.797 1.00 0.00 C ATOM 233 CD2 PHE A 20 1.547 -9.128 -17.752 1.00 0.00 C ATOM 234 CE1 PHE A 20 0.289 -11.246 -16.529 1.00 0.00 C ATOM 235 CE2 PHE A 20 1.192 -10.291 -18.485 1.00 0.00 C ATOM 236 CZ PHE A 20 0.570 -11.326 -17.858 1.00 0.00 C ATOM 0 H PHE A 20 0.481 -6.796 -17.492 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.262 -7.251 -14.727 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.442 -7.270 -16.169 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.061 -8.096 -14.672 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.422 -10.020 -14.742 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.040 -8.306 -18.250 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.205 -12.067 -16.031 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.416 -10.354 -19.540 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.299 -12.211 -18.415 1.00 0.00 H new ATOM 246 N ARG A 21 0.559 -5.290 -13.544 1.00 0.00 N ATOM 247 CA ARG A 21 0.984 -4.107 -12.814 1.00 0.00 C ATOM 248 C ARG A 21 1.802 -4.507 -11.585 1.00 0.00 C ATOM 249 O ARG A 21 1.667 -5.620 -11.080 1.00 0.00 O ATOM 250 CB ARG A 21 -0.219 -3.273 -12.368 1.00 0.00 C ATOM 251 CG ARG A 21 -1.054 -4.027 -11.331 1.00 0.00 C ATOM 252 CD ARG A 21 -2.543 -3.712 -11.492 1.00 0.00 C ATOM 253 NE ARG A 21 -2.901 -2.529 -10.678 1.00 0.00 N ATOM 254 CZ ARG A 21 -2.852 -2.496 -9.340 1.00 0.00 C ATOM 255 NH1 ARG A 21 -2.459 -3.579 -8.656 1.00 0.00 N ATOM 256 NH2 ARG A 21 -3.195 -1.378 -8.684 1.00 0.00 N ATOM 0 H ARG A 21 -0.110 -5.880 -13.048 1.00 0.00 H new ATOM 0 HA ARG A 21 1.599 -3.507 -13.485 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.125 -2.329 -11.946 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.838 -3.030 -13.232 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.892 -5.100 -11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.727 -3.754 -10.328 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.772 -3.525 -12.541 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.140 -4.570 -11.184 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.204 -1.686 -11.166 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.197 -4.430 -9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.422 -3.553 -7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.493 -0.553 -9.204 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.158 -1.353 -7.665 1.00 0.00 H new ATOM 270 N THR A 22 2.634 -3.577 -11.139 1.00 0.00 N ATOM 271 CA THR A 22 3.474 -3.818 -9.979 1.00 0.00 C ATOM 272 C THR A 22 2.690 -4.566 -8.899 1.00 0.00 C ATOM 273 O THR A 22 1.494 -4.337 -8.724 1.00 0.00 O ATOM 274 CB THR A 22 4.026 -2.472 -9.506 1.00 0.00 C ATOM 275 OG1 THR A 22 2.885 -1.618 -9.483 1.00 0.00 O ATOM 276 CG2 THR A 22 4.954 -1.825 -10.536 1.00 0.00 C ATOM 0 H THR A 22 2.744 -2.655 -11.561 1.00 0.00 H new ATOM 0 HA THR A 22 4.317 -4.461 -10.229 1.00 0.00 H new ATOM 0 HB THR A 22 4.564 -2.610 -8.568 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.152 -0.723 -9.185 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.318 -0.873 -10.150 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.800 -2.485 -10.729 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.407 -1.656 -11.463 1.00 0.00 H new ATOM 284 N LYS A 23 3.395 -5.445 -8.202 1.00 0.00 N ATOM 285 CA LYS A 23 2.780 -6.229 -7.144 1.00 0.00 C ATOM 286 C LYS A 23 3.571 -6.038 -5.849 1.00 0.00 C ATOM 287 O LYS A 23 4.766 -6.324 -5.799 1.00 0.00 O ATOM 288 CB LYS A 23 2.642 -7.691 -7.571 1.00 0.00 C ATOM 289 CG LYS A 23 1.806 -8.481 -6.562 1.00 0.00 C ATOM 290 CD LYS A 23 1.065 -9.632 -7.245 1.00 0.00 C ATOM 291 CE LYS A 23 -0.448 -9.496 -7.059 1.00 0.00 C ATOM 292 NZ LYS A 23 -1.151 -9.741 -8.338 1.00 0.00 N ATOM 0 H LYS A 23 4.387 -5.632 -8.349 1.00 0.00 H new ATOM 0 HA LYS A 23 1.765 -5.881 -6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.176 -7.744 -8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.630 -8.142 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.453 -8.875 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.088 -7.817 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.305 -9.644 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.402 -10.583 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.793 -10.205 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.687 -8.498 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.177 -9.645 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.834 -9.049 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.937 -10.702 -8.673 1.00 0.00 H new ATOM 306 N PHE A 24 2.872 -5.555 -4.832 1.00 0.00 N ATOM 307 CA PHE A 24 3.494 -5.323 -3.539 1.00 0.00 C ATOM 308 C PHE A 24 2.682 -5.970 -2.416 1.00 0.00 C ATOM 309 O PHE A 24 1.600 -6.502 -2.655 1.00 0.00 O ATOM 310 CB PHE A 24 3.525 -3.808 -3.324 1.00 0.00 C ATOM 311 CG PHE A 24 4.168 -3.029 -4.472 1.00 0.00 C ATOM 312 CD1 PHE A 24 5.410 -3.367 -4.912 1.00 0.00 C ATOM 313 CD2 PHE A 24 3.499 -1.998 -5.053 1.00 0.00 C ATOM 314 CE1 PHE A 24 6.007 -2.643 -5.977 1.00 0.00 C ATOM 315 CE2 PHE A 24 4.096 -1.274 -6.119 1.00 0.00 C ATOM 316 CZ PHE A 24 5.338 -1.612 -6.559 1.00 0.00 C ATOM 0 H PHE A 24 1.881 -5.318 -4.877 1.00 0.00 H new ATOM 0 HA PHE A 24 4.494 -5.757 -3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.505 -3.451 -3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.068 -3.593 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.942 -4.186 -4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.513 -1.729 -4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.993 -2.911 -6.325 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.564 -0.455 -6.580 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.792 -1.062 -7.370 1.00 0.00 H new ATOM 326 N THR A 25 3.237 -5.903 -1.214 1.00 0.00 N ATOM 327 CA THR A 25 2.578 -6.476 -0.053 1.00 0.00 C ATOM 328 C THR A 25 1.881 -5.382 0.759 1.00 0.00 C ATOM 329 O THR A 25 2.289 -4.222 0.722 1.00 0.00 O ATOM 330 CB THR A 25 3.623 -7.253 0.748 1.00 0.00 C ATOM 331 OG1 THR A 25 2.895 -7.771 1.859 1.00 0.00 O ATOM 332 CG2 THR A 25 4.673 -6.340 1.385 1.00 0.00 C ATOM 0 H THR A 25 4.135 -5.461 -1.020 1.00 0.00 H new ATOM 0 HA THR A 25 1.791 -7.170 -0.348 1.00 0.00 H new ATOM 0 HB THR A 25 4.117 -7.973 0.096 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.497 -8.291 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.390 -6.943 1.942 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.194 -5.785 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.184 -5.641 2.063 1.00 0.00 H new ATOM 340 N ALA A 26 0.841 -5.790 1.472 1.00 0.00 N ATOM 341 CA ALA A 26 0.084 -4.859 2.291 1.00 0.00 C ATOM 342 C ALA A 26 1.047 -3.879 2.965 1.00 0.00 C ATOM 343 O ALA A 26 0.934 -2.668 2.783 1.00 0.00 O ATOM 344 CB ALA A 26 -0.759 -5.638 3.303 1.00 0.00 C ATOM 0 H ALA A 26 0.505 -6.753 1.499 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.602 -4.276 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.327 -4.940 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.447 -6.297 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.105 -6.233 3.940 1.00 0.00 H new ATOM 350 N GLU A 27 1.972 -4.440 3.730 1.00 0.00 N ATOM 351 CA GLU A 27 2.954 -3.632 4.432 1.00 0.00 C ATOM 352 C GLU A 27 3.386 -2.449 3.564 1.00 0.00 C ATOM 353 O GLU A 27 3.201 -1.294 3.945 1.00 0.00 O ATOM 354 CB GLU A 27 4.160 -4.474 4.851 1.00 0.00 C ATOM 355 CG GLU A 27 4.535 -4.209 6.310 1.00 0.00 C ATOM 356 CD GLU A 27 5.950 -4.706 6.612 1.00 0.00 C ATOM 357 OE1 GLU A 27 6.786 -4.634 5.686 1.00 0.00 O ATOM 358 OE2 GLU A 27 6.163 -5.147 7.762 1.00 0.00 O ATOM 0 H GLU A 27 2.062 -5.445 3.879 1.00 0.00 H new ATOM 0 HA GLU A 27 2.493 -3.243 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.934 -5.532 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.009 -4.245 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.469 -3.141 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.823 -4.707 6.968 1.00 0.00 H new ATOM 365 N GLN A 28 3.954 -2.777 2.413 1.00 0.00 N ATOM 366 CA GLN A 28 4.414 -1.756 1.487 1.00 0.00 C ATOM 367 C GLN A 28 3.312 -0.723 1.245 1.00 0.00 C ATOM 368 O GLN A 28 3.512 0.469 1.472 1.00 0.00 O ATOM 369 CB GLN A 28 4.880 -2.380 0.170 1.00 0.00 C ATOM 370 CG GLN A 28 6.370 -2.122 -0.062 1.00 0.00 C ATOM 371 CD GLN A 28 6.913 -3.012 -1.182 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.184 -3.726 -1.851 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.229 -2.929 -1.349 1.00 0.00 N ATOM 0 H GLN A 28 4.106 -3.736 2.100 1.00 0.00 H new ATOM 0 HA GLN A 28 5.269 -1.248 1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.691 -3.453 0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.303 -1.966 -0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.526 -1.074 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.923 -2.311 0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.781 -2.311 -0.754 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.687 -3.483 -2.072 1.00 0.00 H new ATOM 382 N LYS A 29 2.171 -1.218 0.787 1.00 0.00 N ATOM 383 CA LYS A 29 1.037 -0.353 0.512 1.00 0.00 C ATOM 384 C LYS A 29 0.761 0.523 1.735 1.00 0.00 C ATOM 385 O LYS A 29 0.544 1.727 1.604 1.00 0.00 O ATOM 386 CB LYS A 29 -0.170 -1.179 0.063 1.00 0.00 C ATOM 387 CG LYS A 29 0.104 -1.867 -1.276 1.00 0.00 C ATOM 388 CD LYS A 29 0.242 -3.380 -1.098 1.00 0.00 C ATOM 389 CE LYS A 29 -0.906 -4.120 -1.787 1.00 0.00 C ATOM 390 NZ LYS A 29 -1.862 -4.643 -0.785 1.00 0.00 N ATOM 0 H LYS A 29 2.008 -2.207 0.600 1.00 0.00 H new ATOM 0 HA LYS A 29 1.262 0.318 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.404 -1.928 0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.044 -0.533 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.707 -1.652 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.017 -1.464 -1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.194 -3.713 -1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.252 -3.625 -0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.421 -3.447 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.510 -4.942 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.635 -5.142 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.371 -5.301 -0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.253 -3.853 -0.233 1.00 0.00 H new ATOM 404 N GLU A 30 0.778 -0.114 2.897 1.00 0.00 N ATOM 405 CA GLU A 30 0.532 0.593 4.142 1.00 0.00 C ATOM 406 C GLU A 30 1.637 1.621 4.396 1.00 0.00 C ATOM 407 O GLU A 30 1.355 2.795 4.628 1.00 0.00 O ATOM 408 CB GLU A 30 0.414 -0.385 5.313 1.00 0.00 C ATOM 409 CG GLU A 30 -0.790 -1.311 5.134 1.00 0.00 C ATOM 410 CD GLU A 30 -1.257 -1.870 6.480 1.00 0.00 C ATOM 411 OE1 GLU A 30 -0.529 -2.730 7.021 1.00 0.00 O ATOM 412 OE2 GLU A 30 -2.331 -1.423 6.938 1.00 0.00 O ATOM 0 H GLU A 30 0.958 -1.112 3.002 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.417 1.122 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.325 -0.978 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.315 0.170 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.606 -0.765 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.526 -2.132 4.467 1.00 0.00 H new ATOM 419 N LYS A 31 2.871 1.142 4.342 1.00 0.00 N ATOM 420 CA LYS A 31 4.019 2.005 4.563 1.00 0.00 C ATOM 421 C LYS A 31 3.930 3.214 3.629 1.00 0.00 C ATOM 422 O LYS A 31 4.066 4.354 4.070 1.00 0.00 O ATOM 423 CB LYS A 31 5.320 1.213 4.420 1.00 0.00 C ATOM 424 CG LYS A 31 5.745 0.611 5.761 1.00 0.00 C ATOM 425 CD LYS A 31 5.784 -0.917 5.689 1.00 0.00 C ATOM 426 CE LYS A 31 7.223 -1.423 5.566 1.00 0.00 C ATOM 427 NZ LYS A 31 7.751 -1.810 6.893 1.00 0.00 N ATOM 0 H LYS A 31 3.101 0.167 4.148 1.00 0.00 H new ATOM 0 HA LYS A 31 4.016 2.388 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.187 0.418 3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.108 1.866 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.728 0.991 6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.051 0.924 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.321 -1.339 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.200 -1.260 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.258 -2.278 4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.852 -0.647 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.678 -1.363 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.092 -1.496 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.855 -2.844 6.937 1.00 0.00 H new ATOM 441 N MET A 32 3.702 2.923 2.357 1.00 0.00 N ATOM 442 CA MET A 32 3.593 3.972 1.357 1.00 0.00 C ATOM 443 C MET A 32 2.434 4.918 1.679 1.00 0.00 C ATOM 444 O MET A 32 2.611 6.135 1.710 1.00 0.00 O ATOM 445 CB MET A 32 3.372 3.345 -0.020 1.00 0.00 C ATOM 446 CG MET A 32 4.591 2.527 -0.452 1.00 0.00 C ATOM 447 SD MET A 32 4.070 1.112 -1.407 1.00 0.00 S ATOM 448 CE MET A 32 4.300 1.751 -3.058 1.00 0.00 C ATOM 0 H MET A 32 3.590 1.976 1.996 1.00 0.00 H new ATOM 0 HA MET A 32 4.519 4.547 1.359 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.490 2.705 0.005 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.177 4.128 -0.753 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.264 3.147 -1.044 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.148 2.199 0.425 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.515 1.368 -3.709 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.254 2.840 -3.036 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.272 1.436 -3.438 1.00 0.00 H new ATOM 458 N LEU A 33 1.273 4.323 1.911 1.00 0.00 N ATOM 459 CA LEU A 33 0.086 5.097 2.230 1.00 0.00 C ATOM 460 C LEU A 33 0.452 6.197 3.228 1.00 0.00 C ATOM 461 O LEU A 33 0.063 7.351 3.056 1.00 0.00 O ATOM 462 CB LEU A 33 -1.040 4.179 2.711 1.00 0.00 C ATOM 463 CG LEU A 33 -2.112 3.833 1.676 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.153 4.949 1.571 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.481 3.507 0.321 1.00 0.00 C ATOM 0 H LEU A 33 1.129 3.314 1.884 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.297 5.591 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.596 3.250 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.526 4.650 3.565 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.634 2.937 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.903 4.678 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.634 5.090 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.664 5.876 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.265 3.265 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.917 4.369 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.810 2.654 0.428 1.00 0.00 H new ATOM 477 N ALA A 34 1.196 5.800 4.250 1.00 0.00 N ATOM 478 CA ALA A 34 1.619 6.738 5.277 1.00 0.00 C ATOM 479 C ALA A 34 2.784 7.576 4.746 1.00 0.00 C ATOM 480 O ALA A 34 2.697 8.802 4.692 1.00 0.00 O ATOM 481 CB ALA A 34 1.984 5.971 6.549 1.00 0.00 C ATOM 0 H ALA A 34 1.517 4.842 4.389 1.00 0.00 H new ATOM 0 HA ALA A 34 0.809 7.422 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.301 6.674 7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.115 5.415 6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.796 5.277 6.335 1.00 0.00 H new ATOM 487 N PHE A 35 3.847 6.882 4.369 1.00 0.00 N ATOM 488 CA PHE A 35 5.028 7.547 3.845 1.00 0.00 C ATOM 489 C PHE A 35 4.642 8.739 2.967 1.00 0.00 C ATOM 490 O PHE A 35 5.146 9.844 3.157 1.00 0.00 O ATOM 491 CB PHE A 35 5.778 6.522 2.993 1.00 0.00 C ATOM 492 CG PHE A 35 7.206 6.936 2.634 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.089 7.256 3.618 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.593 6.985 1.331 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.415 7.640 3.285 1.00 0.00 C ATOM 496 CE2 PHE A 35 8.919 7.369 0.998 1.00 0.00 C ATOM 497 CZ PHE A 35 9.802 7.689 1.982 1.00 0.00 C ATOM 0 H PHE A 35 3.916 5.865 4.416 1.00 0.00 H new ATOM 0 HA PHE A 35 5.641 7.919 4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.810 5.573 3.529 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.219 6.350 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.782 7.218 4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.892 6.732 0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.116 7.893 4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.226 7.407 -0.037 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.810 7.982 1.729 1.00 0.00 H new ATOM 507 N ALA A 36 3.750 8.473 2.023 1.00 0.00 N ATOM 508 CA ALA A 36 3.290 9.509 1.115 1.00 0.00 C ATOM 509 C ALA A 36 2.568 10.597 1.913 1.00 0.00 C ATOM 510 O ALA A 36 2.907 11.775 1.810 1.00 0.00 O ATOM 511 CB ALA A 36 2.398 8.887 0.039 1.00 0.00 C ATOM 0 H ALA A 36 3.334 7.555 1.868 1.00 0.00 H new ATOM 0 HA ALA A 36 4.134 9.977 0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.053 9.665 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.966 8.142 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.539 8.410 0.510 1.00 0.00 H new ATOM 517 N GLU A 37 1.586 10.164 2.690 1.00 0.00 N ATOM 518 CA GLU A 37 0.814 11.086 3.504 1.00 0.00 C ATOM 519 C GLU A 37 1.747 12.010 4.290 1.00 0.00 C ATOM 520 O GLU A 37 1.412 13.166 4.544 1.00 0.00 O ATOM 521 CB GLU A 37 -0.128 10.331 4.444 1.00 0.00 C ATOM 522 CG GLU A 37 -1.535 10.236 3.849 1.00 0.00 C ATOM 523 CD GLU A 37 -2.184 11.618 3.753 1.00 0.00 C ATOM 524 OE1 GLU A 37 -2.768 12.043 4.773 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.081 12.219 2.661 1.00 0.00 O ATOM 0 H GLU A 37 1.308 9.186 2.773 1.00 0.00 H new ATOM 0 HA GLU A 37 0.201 11.698 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.261 9.330 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.170 10.839 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.485 9.784 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.152 9.583 4.467 1.00 0.00 H new ATOM 532 N ARG A 38 2.899 11.465 4.653 1.00 0.00 N ATOM 533 CA ARG A 38 3.883 12.226 5.404 1.00 0.00 C ATOM 534 C ARG A 38 4.612 13.206 4.484 1.00 0.00 C ATOM 535 O ARG A 38 4.726 14.390 4.798 1.00 0.00 O ATOM 536 CB ARG A 38 4.906 11.301 6.066 1.00 0.00 C ATOM 537 CG ARG A 38 4.261 9.977 6.481 1.00 0.00 C ATOM 538 CD ARG A 38 4.674 9.589 7.903 1.00 0.00 C ATOM 539 NE ARG A 38 4.468 10.732 8.820 1.00 0.00 N ATOM 540 CZ ARG A 38 3.287 11.057 9.362 1.00 0.00 C ATOM 541 NH1 ARG A 38 2.198 10.327 9.083 1.00 0.00 N ATOM 542 NH2 ARG A 38 3.194 12.112 10.184 1.00 0.00 N ATOM 0 H ARG A 38 3.173 10.506 4.441 1.00 0.00 H new ATOM 0 HA ARG A 38 3.353 12.778 6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.728 11.109 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.333 11.792 6.941 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.176 10.063 6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.555 9.191 5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.090 8.733 8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.721 9.286 7.916 1.00 0.00 H new ATOM 0 HE ARG A 38 5.276 11.309 9.054 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.269 9.524 8.458 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.299 10.574 9.496 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.023 12.667 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.295 12.359 10.597 1.00 0.00 H new ATOM 556 N LEU A 39 5.086 12.677 3.365 1.00 0.00 N ATOM 557 CA LEU A 39 5.801 13.491 2.397 1.00 0.00 C ATOM 558 C LEU A 39 4.815 14.432 1.701 1.00 0.00 C ATOM 559 O LEU A 39 5.223 15.347 0.987 1.00 0.00 O ATOM 560 CB LEU A 39 6.591 12.606 1.432 1.00 0.00 C ATOM 561 CG LEU A 39 7.283 11.389 2.051 1.00 0.00 C ATOM 562 CD1 LEU A 39 7.019 10.129 1.226 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.779 11.647 2.241 1.00 0.00 C ATOM 0 H LEU A 39 4.989 11.695 3.108 1.00 0.00 H new ATOM 0 HA LEU A 39 6.540 14.116 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.913 12.257 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.348 13.220 0.944 1.00 0.00 H new ATOM 0 HG LEU A 39 6.857 11.221 3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.522 9.280 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.947 9.938 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.400 10.270 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.247 10.767 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.238 11.856 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.920 12.502 2.902 1.00 0.00 H new ATOM 575 N GLY A 40 3.536 14.174 1.933 1.00 0.00 N ATOM 576 CA GLY A 40 2.489 14.986 1.338 1.00 0.00 C ATOM 577 C GLY A 40 2.210 14.551 -0.102 1.00 0.00 C ATOM 578 O GLY A 40 1.707 15.336 -0.906 1.00 0.00 O ATOM 0 H GLY A 40 3.202 13.414 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.578 14.902 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.784 16.035 1.354 1.00 0.00 H new ATOM 582 N TRP A 41 2.548 13.302 -0.385 1.00 0.00 N ATOM 583 CA TRP A 41 2.340 12.753 -1.714 1.00 0.00 C ATOM 584 C TRP A 41 3.265 13.493 -2.682 1.00 0.00 C ATOM 585 O TRP A 41 2.992 13.559 -3.880 1.00 0.00 O ATOM 586 CB TRP A 41 0.866 12.833 -2.117 1.00 0.00 C ATOM 587 CG TRP A 41 -0.060 11.962 -1.266 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.844 12.341 -0.247 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.268 10.540 -1.402 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.539 11.272 0.281 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.178 10.142 -0.444 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.294 9.621 -2.305 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.606 8.818 -0.297 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.144 8.301 -2.145 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.059 7.884 -1.185 1.00 0.00 C ATOM 0 H TRP A 41 2.965 12.654 0.284 1.00 0.00 H new ATOM 0 HA TRP A 41 2.590 11.692 -1.736 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.537 13.870 -2.048 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.769 12.536 -3.161 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.922 13.355 0.115 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.197 11.305 1.060 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.007 9.910 -3.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.320 8.532 0.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.257 7.554 -2.814 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.346 6.845 -1.125 1.00 0.00 H new ATOM 606 N ARG A 42 4.341 14.032 -2.127 1.00 0.00 N ATOM 607 CA ARG A 42 5.308 14.765 -2.925 1.00 0.00 C ATOM 608 C ARG A 42 6.720 14.553 -2.376 1.00 0.00 C ATOM 609 O ARG A 42 6.948 14.679 -1.174 1.00 0.00 O ATOM 610 CB ARG A 42 4.992 16.262 -2.936 1.00 0.00 C ATOM 611 CG ARG A 42 4.835 16.799 -1.512 1.00 0.00 C ATOM 612 CD ARG A 42 4.860 18.329 -1.497 1.00 0.00 C ATOM 613 NE ARG A 42 4.159 18.835 -0.296 1.00 0.00 N ATOM 614 CZ ARG A 42 2.836 19.039 -0.228 1.00 0.00 C ATOM 615 NH1 ARG A 42 2.063 18.782 -1.292 1.00 0.00 N ATOM 616 NH2 ARG A 42 2.286 19.501 0.903 1.00 0.00 N ATOM 0 H ARG A 42 4.564 13.975 -1.133 1.00 0.00 H new ATOM 0 HA ARG A 42 5.251 14.386 -3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.789 16.802 -3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.076 16.440 -3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.897 16.443 -1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.637 16.412 -0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.891 18.684 -1.503 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.383 18.718 -2.397 1.00 0.00 H new ATOM 0 HE ARG A 42 4.718 19.041 0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.481 18.431 -2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.056 18.937 -1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.874 19.698 1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.279 19.656 0.954 1.00 0.00 H new ATOM 630 N ILE A 43 7.631 14.234 -3.283 1.00 0.00 N ATOM 631 CA ILE A 43 9.015 14.003 -2.905 1.00 0.00 C ATOM 632 C ILE A 43 9.841 15.251 -3.222 1.00 0.00 C ATOM 633 O ILE A 43 9.814 15.749 -4.347 1.00 0.00 O ATOM 634 CB ILE A 43 9.546 12.730 -3.566 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.743 11.506 -3.122 1.00 0.00 C ATOM 636 CG2 ILE A 43 11.044 12.559 -3.304 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.637 10.480 -4.253 1.00 0.00 C ATOM 0 H ILE A 43 7.438 14.130 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 43 9.093 13.833 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 43 9.417 12.826 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.220 11.049 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.745 11.815 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.396 11.646 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.584 13.414 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.221 12.494 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.061 9.620 -3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.138 10.933 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.636 10.155 -4.545 1.00 0.00 H new ATOM 649 N GLN A 44 10.556 15.721 -2.210 1.00 0.00 N ATOM 650 CA GLN A 44 11.389 16.902 -2.367 1.00 0.00 C ATOM 651 C GLN A 44 12.868 16.511 -2.377 1.00 0.00 C ATOM 652 O GLN A 44 13.201 15.327 -2.351 1.00 0.00 O ATOM 653 CB GLN A 44 11.100 17.927 -1.269 1.00 0.00 C ATOM 654 CG GLN A 44 9.596 18.046 -1.012 1.00 0.00 C ATOM 655 CD GLN A 44 9.291 19.212 -0.070 1.00 0.00 C ATOM 656 OE1 GLN A 44 8.701 18.850 1.066 1.00 0.00 O flip ATOM 657 NE2 GLN A 44 9.573 20.364 -0.355 1.00 0.00 N flip ATOM 0 H GLN A 44 10.576 15.306 -1.279 1.00 0.00 H new ATOM 0 HA GLN A 44 11.150 17.367 -3.324 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.607 17.634 -0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.501 18.898 -1.559 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.072 18.191 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.223 17.118 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.026 20.573 -1.245 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.356 21.118 0.296 1.00 0.00 H new ATOM 666 N LYS A 45 13.716 17.528 -2.414 1.00 0.00 N ATOM 667 CA LYS A 45 15.152 17.306 -2.427 1.00 0.00 C ATOM 668 C LYS A 45 15.586 16.729 -1.078 1.00 0.00 C ATOM 669 O LYS A 45 16.579 16.007 -0.998 1.00 0.00 O ATOM 670 CB LYS A 45 15.889 18.589 -2.813 1.00 0.00 C ATOM 671 CG LYS A 45 17.270 18.275 -3.393 1.00 0.00 C ATOM 672 CD LYS A 45 18.361 19.071 -2.674 1.00 0.00 C ATOM 673 CE LYS A 45 18.847 18.330 -1.426 1.00 0.00 C ATOM 674 NZ LYS A 45 20.123 17.634 -1.701 1.00 0.00 N ATOM 0 H LYS A 45 13.436 18.509 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 45 15.418 16.573 -3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.301 19.144 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.995 19.229 -1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.473 17.208 -3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.284 18.511 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.199 19.240 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.976 20.051 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.980 19.035 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.094 17.609 -1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.439 17.136 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.985 16.947 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.844 18.329 -1.983 1.00 0.00 H new ATOM 688 N HIS A 46 14.821 17.069 -0.051 1.00 0.00 N ATOM 689 CA HIS A 46 15.115 16.594 1.290 1.00 0.00 C ATOM 690 C HIS A 46 14.632 15.150 1.440 1.00 0.00 C ATOM 691 O HIS A 46 15.298 14.331 2.072 1.00 0.00 O ATOM 692 CB HIS A 46 14.518 17.531 2.342 1.00 0.00 C ATOM 693 CG HIS A 46 13.094 17.199 2.722 1.00 0.00 C ATOM 694 ND1 HIS A 46 12.574 16.118 3.371 1.00 0.00 N flip ATOM 695 CD2 HIS A 46 12.027 18.031 2.432 1.00 0.00 C flip ATOM 696 CE1 HIS A 46 11.261 16.282 3.473 1.00 0.00 C flip ATOM 697 NE2 HIS A 46 10.920 17.467 2.891 1.00 0.00 N flip ATOM 0 H HIS A 46 13.998 17.668 -0.121 1.00 0.00 H new ATOM 0 HA HIS A 46 16.193 16.599 1.453 1.00 0.00 H new ATOM 0 HB2 HIS A 46 15.139 17.499 3.237 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.554 18.553 1.966 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.087 18.979 1.919 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.575 15.591 3.940 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.978 17.852 2.821 1.00 0.00 H new ATOM 705 N ASP A 47 13.478 14.881 0.849 1.00 0.00 N ATOM 706 CA ASP A 47 12.898 13.550 0.909 1.00 0.00 C ATOM 707 C ASP A 47 13.756 12.587 0.085 1.00 0.00 C ATOM 708 O ASP A 47 13.718 11.377 0.301 1.00 0.00 O ATOM 709 CB ASP A 47 11.483 13.539 0.327 1.00 0.00 C ATOM 710 CG ASP A 47 10.525 14.565 0.935 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.922 15.749 0.988 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.419 14.142 1.333 1.00 0.00 O ATOM 0 H ASP A 47 12.928 15.562 0.326 1.00 0.00 H new ATOM 0 HA ASP A 47 12.860 13.245 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.547 13.716 -0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.059 12.544 0.462 1.00 0.00 H new ATOM 717 N ASP A 48 14.509 13.161 -0.842 1.00 0.00 N ATOM 718 CA ASP A 48 15.374 12.369 -1.699 1.00 0.00 C ATOM 719 C ASP A 48 16.042 11.272 -0.868 1.00 0.00 C ATOM 720 O ASP A 48 16.301 10.179 -1.370 1.00 0.00 O ATOM 721 CB ASP A 48 16.477 13.232 -2.316 1.00 0.00 C ATOM 722 CG ASP A 48 17.105 12.664 -3.590 1.00 0.00 C ATOM 723 OD1 ASP A 48 17.865 11.680 -3.458 1.00 0.00 O ATOM 724 OD2 ASP A 48 16.811 13.226 -4.667 1.00 0.00 O ATOM 0 H ASP A 48 14.538 14.165 -1.018 1.00 0.00 H new ATOM 0 HA ASP A 48 14.762 11.942 -2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.065 14.216 -2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.263 13.376 -1.574 1.00 0.00 H new ATOM 729 N VAL A 49 16.301 11.601 0.389 1.00 0.00 N ATOM 730 CA VAL A 49 16.934 10.657 1.295 1.00 0.00 C ATOM 731 C VAL A 49 15.865 9.749 1.906 1.00 0.00 C ATOM 732 O VAL A 49 16.003 8.526 1.894 1.00 0.00 O ATOM 733 CB VAL A 49 17.752 11.408 2.346 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.505 10.434 3.254 1.00 0.00 C ATOM 735 CG2 VAL A 49 18.714 12.399 1.687 1.00 0.00 C ATOM 0 H VAL A 49 16.084 12.508 0.802 1.00 0.00 H new ATOM 0 HA VAL A 49 17.633 10.019 0.754 1.00 0.00 H new ATOM 0 HB VAL A 49 17.059 11.976 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 49 19.079 10.994 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.792 9.786 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.182 9.826 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.284 12.920 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.398 11.861 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.146 13.124 1.103 1.00 0.00 H new ATOM 745 N ALA A 50 14.823 10.381 2.425 1.00 0.00 N ATOM 746 CA ALA A 50 13.731 9.645 3.040 1.00 0.00 C ATOM 747 C ALA A 50 13.227 8.580 2.065 1.00 0.00 C ATOM 748 O ALA A 50 12.824 7.494 2.480 1.00 0.00 O ATOM 749 CB ALA A 50 12.629 10.621 3.458 1.00 0.00 C ATOM 0 H ALA A 50 14.711 11.395 2.432 1.00 0.00 H new ATOM 0 HA ALA A 50 14.072 9.133 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.810 10.069 3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.031 11.339 4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.260 11.151 2.580 1.00 0.00 H new ATOM 755 N VAL A 51 13.267 8.927 0.787 1.00 0.00 N ATOM 756 CA VAL A 51 12.819 8.013 -0.251 1.00 0.00 C ATOM 757 C VAL A 51 13.815 6.858 -0.371 1.00 0.00 C ATOM 758 O VAL A 51 13.418 5.694 -0.419 1.00 0.00 O ATOM 759 CB VAL A 51 12.621 8.771 -1.565 1.00 0.00 C ATOM 760 CG1 VAL A 51 12.575 7.807 -2.752 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.361 9.638 -1.513 1.00 0.00 C ATOM 0 H VAL A 51 13.603 9.828 0.446 1.00 0.00 H new ATOM 0 HA VAL A 51 11.852 7.583 0.009 1.00 0.00 H new ATOM 0 HB VAL A 51 13.477 9.432 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.433 8.371 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.512 7.252 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.747 7.110 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.243 10.166 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.491 9.005 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.450 10.361 -0.702 1.00 0.00 H new ATOM 771 N GLU A 52 15.089 7.219 -0.416 1.00 0.00 N ATOM 772 CA GLU A 52 16.144 6.227 -0.530 1.00 0.00 C ATOM 773 C GLU A 52 16.191 5.355 0.726 1.00 0.00 C ATOM 774 O GLU A 52 16.477 4.161 0.648 1.00 0.00 O ATOM 775 CB GLU A 52 17.498 6.893 -0.787 1.00 0.00 C ATOM 776 CG GLU A 52 18.333 6.949 0.494 1.00 0.00 C ATOM 777 CD GLU A 52 18.967 5.589 0.795 1.00 0.00 C ATOM 778 OE1 GLU A 52 19.798 5.155 -0.032 1.00 0.00 O ATOM 779 OE2 GLU A 52 18.606 5.015 1.845 1.00 0.00 O ATOM 0 H GLU A 52 15.414 8.185 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 52 15.923 5.587 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.040 6.340 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.344 7.902 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 52 19.113 7.703 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.703 7.254 1.330 1.00 0.00 H new ATOM 786 N GLN A 53 15.906 5.986 1.856 1.00 0.00 N ATOM 787 CA GLN A 53 15.913 5.283 3.128 1.00 0.00 C ATOM 788 C GLN A 53 14.691 4.368 3.234 1.00 0.00 C ATOM 789 O GLN A 53 14.809 3.213 3.642 1.00 0.00 O ATOM 790 CB GLN A 53 15.965 6.267 4.298 1.00 0.00 C ATOM 791 CG GLN A 53 17.406 6.496 4.758 1.00 0.00 C ATOM 792 CD GLN A 53 17.593 6.063 6.213 1.00 0.00 C ATOM 793 OE1 GLN A 53 17.466 4.901 6.564 1.00 0.00 O ATOM 794 NE2 GLN A 53 17.900 7.059 7.039 1.00 0.00 N ATOM 0 H GLN A 53 15.669 6.976 1.917 1.00 0.00 H new ATOM 0 HA GLN A 53 16.810 4.666 3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.520 7.216 4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.371 5.883 5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 53 18.089 5.937 4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.662 7.550 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.991 8.009 6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.044 6.872 8.031 1.00 0.00 H new ATOM 803 N PHE A 54 13.545 4.918 2.861 1.00 0.00 N ATOM 804 CA PHE A 54 12.302 4.166 2.910 1.00 0.00 C ATOM 805 C PHE A 54 12.246 3.127 1.788 1.00 0.00 C ATOM 806 O PHE A 54 11.777 2.009 1.996 1.00 0.00 O ATOM 807 CB PHE A 54 11.164 5.170 2.716 1.00 0.00 C ATOM 808 CG PHE A 54 9.800 4.524 2.469 1.00 0.00 C ATOM 809 CD1 PHE A 54 9.475 4.074 1.227 1.00 0.00 C ATOM 810 CD2 PHE A 54 8.912 4.398 3.491 1.00 0.00 C ATOM 811 CE1 PHE A 54 8.208 3.474 0.998 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.646 3.798 3.263 1.00 0.00 C ATOM 813 CZ PHE A 54 7.320 3.349 2.021 1.00 0.00 C ATOM 0 H PHE A 54 13.451 5.876 2.523 1.00 0.00 H new ATOM 0 HA PHE A 54 12.223 3.640 3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.099 5.805 3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.405 5.819 1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.180 4.173 0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.170 4.755 4.477 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.950 3.117 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.942 3.698 4.076 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.356 2.893 1.847 1.00 0.00 H new ATOM 823 N CYS A 55 12.732 3.532 0.624 1.00 0.00 N ATOM 824 CA CYS A 55 12.743 2.650 -0.530 1.00 0.00 C ATOM 825 C CYS A 55 13.614 1.436 -0.199 1.00 0.00 C ATOM 826 O CYS A 55 13.510 0.397 -0.849 1.00 0.00 O ATOM 827 CB CYS A 55 13.226 3.372 -1.790 1.00 0.00 C ATOM 828 SG CYS A 55 11.907 4.469 -2.426 1.00 0.00 S ATOM 0 H CYS A 55 13.121 4.460 0.455 1.00 0.00 H new ATOM 0 HA CYS A 55 11.727 2.319 -0.747 1.00 0.00 H new ATOM 0 HB2 CYS A 55 14.119 3.955 -1.565 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.504 2.644 -2.552 1.00 0.00 H new ATOM 0 HG CYS A 55 11.061 3.771 -3.123 1.00 0.00 H new ATOM 834 N ALA A 56 14.453 1.608 0.812 1.00 0.00 N ATOM 835 CA ALA A 56 15.341 0.540 1.237 1.00 0.00 C ATOM 836 C ALA A 56 14.563 -0.449 2.107 1.00 0.00 C ATOM 837 O ALA A 56 14.598 -1.654 1.866 1.00 0.00 O ATOM 838 CB ALA A 56 16.545 1.138 1.969 1.00 0.00 C ATOM 0 H ALA A 56 14.536 2.471 1.349 1.00 0.00 H new ATOM 0 HA ALA A 56 15.722 -0.008 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.212 0.337 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.081 1.811 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.201 1.693 2.842 1.00 0.00 H new ATOM 844 N GLU A 57 13.878 0.098 3.101 1.00 0.00 N ATOM 845 CA GLU A 57 13.092 -0.721 4.008 1.00 0.00 C ATOM 846 C GLU A 57 12.046 -1.521 3.229 1.00 0.00 C ATOM 847 O GLU A 57 12.087 -2.750 3.212 1.00 0.00 O ATOM 848 CB GLU A 57 12.432 0.137 5.089 1.00 0.00 C ATOM 849 CG GLU A 57 12.946 -0.242 6.479 1.00 0.00 C ATOM 850 CD GLU A 57 12.142 -1.407 7.062 1.00 0.00 C ATOM 851 OE1 GLU A 57 10.930 -1.202 7.290 1.00 0.00 O ATOM 852 OE2 GLU A 57 12.757 -2.476 7.265 1.00 0.00 O ATOM 0 H GLU A 57 13.851 1.098 3.298 1.00 0.00 H new ATOM 0 HA GLU A 57 13.761 -1.423 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.635 1.190 4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.350 0.009 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.999 -0.516 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.878 0.620 7.143 1.00 0.00 H new ATOM 859 N THR A 58 11.134 -0.791 2.603 1.00 0.00 N ATOM 860 CA THR A 58 10.079 -1.418 1.825 1.00 0.00 C ATOM 861 C THR A 58 10.668 -2.127 0.604 1.00 0.00 C ATOM 862 O THR A 58 10.357 -3.290 0.347 1.00 0.00 O ATOM 863 CB THR A 58 9.053 -0.342 1.466 1.00 0.00 C ATOM 864 OG1 THR A 58 9.838 0.827 1.246 1.00 0.00 O ATOM 865 CG2 THR A 58 8.156 0.030 2.649 1.00 0.00 C ATOM 0 H THR A 58 11.104 0.228 2.619 1.00 0.00 H new ATOM 0 HA THR A 58 9.571 -2.193 2.399 1.00 0.00 H new ATOM 0 HB THR A 58 8.436 -0.691 0.638 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.251 1.610 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.446 0.797 2.340 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.612 -0.853 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.770 0.411 3.465 1.00 0.00 H new ATOM 873 N GLY A 59 11.507 -1.398 -0.117 1.00 0.00 N ATOM 874 CA GLY A 59 12.142 -1.943 -1.305 1.00 0.00 C ATOM 875 C GLY A 59 11.535 -1.342 -2.575 1.00 0.00 C ATOM 876 O GLY A 59 11.912 -1.717 -3.685 1.00 0.00 O ATOM 0 H GLY A 59 11.762 -0.434 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.212 -1.738 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.026 -3.027 -1.319 1.00 0.00 H new ATOM 880 N VAL A 60 10.606 -0.420 -2.370 1.00 0.00 N ATOM 881 CA VAL A 60 9.944 0.236 -3.485 1.00 0.00 C ATOM 882 C VAL A 60 10.925 1.194 -4.163 1.00 0.00 C ATOM 883 O VAL A 60 11.676 1.899 -3.489 1.00 0.00 O ATOM 884 CB VAL A 60 8.669 0.930 -3.001 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.030 1.748 -4.125 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.677 -0.084 -2.429 1.00 0.00 C ATOM 0 H VAL A 60 10.296 -0.112 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 60 9.637 -0.496 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 60 8.944 1.617 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.126 2.231 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.733 2.508 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.775 1.089 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.780 0.435 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.410 -0.807 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.133 -0.604 -1.587 1.00 0.00 H new ATOM 896 N ARG A 61 10.887 1.190 -5.487 1.00 0.00 N ATOM 897 CA ARG A 61 11.764 2.050 -6.264 1.00 0.00 C ATOM 898 C ARG A 61 11.204 3.473 -6.313 1.00 0.00 C ATOM 899 O ARG A 61 10.018 3.669 -6.577 1.00 0.00 O ATOM 900 CB ARG A 61 11.929 1.524 -7.691 1.00 0.00 C ATOM 901 CG ARG A 61 12.642 0.171 -7.698 1.00 0.00 C ATOM 902 CD ARG A 61 13.483 0.001 -8.964 1.00 0.00 C ATOM 903 NE ARG A 61 14.377 -1.171 -8.824 1.00 0.00 N ATOM 904 CZ ARG A 61 13.975 -2.442 -8.958 1.00 0.00 C ATOM 905 NH1 ARG A 61 12.693 -2.714 -9.235 1.00 0.00 N ATOM 906 NH2 ARG A 61 14.856 -3.442 -8.814 1.00 0.00 N ATOM 0 H ARG A 61 10.263 0.605 -6.042 1.00 0.00 H new ATOM 0 HA ARG A 61 12.739 2.056 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.951 1.426 -8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.497 2.241 -8.283 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.281 0.088 -6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.907 -0.632 -7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.832 -0.129 -9.828 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.073 0.900 -9.142 1.00 0.00 H new ATOM 0 HE ARG A 61 15.360 -1.000 -8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.022 -1.953 -9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.388 -3.682 -9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.832 -3.235 -8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.550 -4.410 -8.916 1.00 0.00 H new ATOM 920 N ARG A 62 12.083 4.430 -6.055 1.00 0.00 N ATOM 921 CA ARG A 62 11.690 5.829 -6.066 1.00 0.00 C ATOM 922 C ARG A 62 10.706 6.095 -7.207 1.00 0.00 C ATOM 923 O ARG A 62 9.631 6.651 -6.988 1.00 0.00 O ATOM 924 CB ARG A 62 12.908 6.741 -6.229 1.00 0.00 C ATOM 925 CG ARG A 62 12.508 8.214 -6.123 1.00 0.00 C ATOM 926 CD ARG A 62 12.378 8.849 -7.509 1.00 0.00 C ATOM 927 NE ARG A 62 13.665 9.460 -7.909 1.00 0.00 N ATOM 928 CZ ARG A 62 14.112 10.638 -7.452 1.00 0.00 C ATOM 929 NH1 ARG A 62 13.378 11.338 -6.577 1.00 0.00 N ATOM 930 NH2 ARG A 62 15.292 11.115 -7.870 1.00 0.00 N ATOM 0 H ARG A 62 13.066 4.264 -5.837 1.00 0.00 H new ATOM 0 HA ARG A 62 11.212 6.047 -5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.648 6.505 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.378 6.557 -7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.561 8.300 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.253 8.755 -5.540 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.083 8.094 -8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.594 9.606 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 62 14.249 8.953 -8.574 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.480 10.974 -6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.717 12.235 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.851 10.582 -8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.632 12.012 -7.522 1.00 0.00 H new ATOM 944 N GLN A 63 11.110 5.686 -8.401 1.00 0.00 N ATOM 945 CA GLN A 63 10.277 5.873 -9.577 1.00 0.00 C ATOM 946 C GLN A 63 8.898 5.246 -9.356 1.00 0.00 C ATOM 947 O GLN A 63 7.880 5.837 -9.713 1.00 0.00 O ATOM 948 CB GLN A 63 10.949 5.293 -10.823 1.00 0.00 C ATOM 949 CG GLN A 63 10.665 3.796 -10.953 1.00 0.00 C ATOM 950 CD GLN A 63 11.340 3.216 -12.198 1.00 0.00 C ATOM 951 OE1 GLN A 63 11.350 3.809 -13.264 1.00 0.00 O ATOM 952 NE2 GLN A 63 11.903 2.026 -12.003 1.00 0.00 N ATOM 0 H GLN A 63 12.003 5.226 -8.579 1.00 0.00 H new ATOM 0 HA GLN A 63 10.147 6.943 -9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.589 5.813 -11.710 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.025 5.459 -10.771 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.024 3.276 -10.065 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.589 3.630 -11.007 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.858 1.585 -11.084 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.380 1.555 -12.772 1.00 0.00 H new ATOM 961 N VAL A 64 8.911 4.058 -8.770 1.00 0.00 N ATOM 962 CA VAL A 64 7.674 3.345 -8.498 1.00 0.00 C ATOM 963 C VAL A 64 6.919 4.055 -7.373 1.00 0.00 C ATOM 964 O VAL A 64 5.708 4.253 -7.462 1.00 0.00 O ATOM 965 CB VAL A 64 7.974 1.878 -8.183 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.682 1.085 -7.984 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.840 1.250 -9.277 1.00 0.00 C ATOM 0 H VAL A 64 9.758 3.571 -8.476 1.00 0.00 H new ATOM 0 HA VAL A 64 7.029 3.350 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 64 8.535 1.843 -7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.924 0.046 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.117 1.512 -7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.083 1.131 -8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.039 0.207 -9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.316 1.303 -10.231 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.783 1.792 -9.351 1.00 0.00 H new ATOM 977 N LEU A 65 7.664 4.419 -6.340 1.00 0.00 N ATOM 978 CA LEU A 65 7.080 5.102 -5.198 1.00 0.00 C ATOM 979 C LEU A 65 6.457 6.420 -5.663 1.00 0.00 C ATOM 980 O LEU A 65 5.333 6.748 -5.284 1.00 0.00 O ATOM 981 CB LEU A 65 8.117 5.271 -4.086 1.00 0.00 C ATOM 982 CG LEU A 65 7.601 5.097 -2.656 1.00 0.00 C ATOM 983 CD1 LEU A 65 8.737 5.245 -1.642 1.00 0.00 C ATOM 984 CD2 LEU A 65 6.447 6.059 -2.369 1.00 0.00 C ATOM 0 H LEU A 65 8.668 4.254 -6.270 1.00 0.00 H new ATOM 0 HA LEU A 65 6.278 4.504 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.919 4.552 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.557 6.265 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 65 7.209 4.085 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.344 5.117 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.497 4.488 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.181 6.236 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.099 5.915 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.790 7.086 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.629 5.863 -3.062 1.00 0.00 H new ATOM 996 N LYS A 66 7.214 7.141 -6.477 1.00 0.00 N ATOM 997 CA LYS A 66 6.750 8.416 -6.998 1.00 0.00 C ATOM 998 C LYS A 66 5.527 8.184 -7.888 1.00 0.00 C ATOM 999 O LYS A 66 4.470 8.772 -7.663 1.00 0.00 O ATOM 1000 CB LYS A 66 7.890 9.155 -7.700 1.00 0.00 C ATOM 1001 CG LYS A 66 7.439 10.540 -8.169 1.00 0.00 C ATOM 1002 CD LYS A 66 7.763 10.749 -9.650 1.00 0.00 C ATOM 1003 CE LYS A 66 9.274 10.837 -9.873 1.00 0.00 C ATOM 1004 NZ LYS A 66 9.578 11.709 -11.030 1.00 0.00 N ATOM 0 H LYS A 66 8.146 6.867 -6.789 1.00 0.00 H new ATOM 0 HA LYS A 66 6.433 9.067 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.736 9.255 -7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.234 8.572 -8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.367 10.651 -8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.932 11.308 -7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.353 9.926 -10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.285 11.662 -10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.757 11.229 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.681 9.840 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.608 11.758 -11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.133 11.319 -11.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.207 12.664 -10.852 1.00 0.00 H new ATOM 1018 N ILE A 67 5.711 7.325 -8.880 1.00 0.00 N ATOM 1019 CA ILE A 67 4.637 7.008 -9.805 1.00 0.00 C ATOM 1020 C ILE A 67 3.457 6.421 -9.028 1.00 0.00 C ATOM 1021 O ILE A 67 2.307 6.556 -9.442 1.00 0.00 O ATOM 1022 CB ILE A 67 5.146 6.102 -10.927 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.324 6.746 -11.661 1.00 0.00 C ATOM 1024 CG2 ILE A 67 4.013 5.724 -11.883 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.268 5.681 -12.224 1.00 0.00 C ATOM 0 H ILE A 67 6.589 6.839 -9.063 1.00 0.00 H new ATOM 0 HA ILE A 67 4.278 7.913 -10.296 1.00 0.00 H new ATOM 0 HB ILE A 67 5.512 5.178 -10.480 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.953 7.373 -12.472 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.870 7.397 -10.979 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.402 5.080 -12.671 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.234 5.195 -11.333 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.594 6.627 -12.326 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.096 6.166 -12.741 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.656 5.071 -11.408 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.725 5.047 -12.925 1.00 0.00 H new ATOM 1037 N TRP A 68 3.783 5.782 -7.913 1.00 0.00 N ATOM 1038 CA TRP A 68 2.764 5.174 -7.074 1.00 0.00 C ATOM 1039 C TRP A 68 2.003 6.297 -6.366 1.00 0.00 C ATOM 1040 O TRP A 68 0.773 6.311 -6.361 1.00 0.00 O ATOM 1041 CB TRP A 68 3.383 4.167 -6.104 1.00 0.00 C ATOM 1042 CG TRP A 68 2.382 3.548 -5.126 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.775 2.357 -5.211 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.894 4.142 -3.905 1.00 0.00 C ATOM 1045 NE1 TRP A 68 0.934 2.140 -4.139 1.00 0.00 N ATOM 1046 CE2 TRP A 68 1.009 3.260 -3.319 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.190 5.383 -3.315 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.347 3.525 -2.113 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.521 5.633 -2.110 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.627 4.756 -1.508 1.00 0.00 C ATOM 0 H TRP A 68 4.738 5.672 -7.572 1.00 0.00 H new ATOM 0 HA TRP A 68 2.058 4.602 -7.676 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.856 3.369 -6.677 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.171 4.662 -5.536 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.925 1.655 -6.018 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.363 1.311 -3.978 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.879 6.088 -3.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.342 2.818 -1.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.713 6.573 -1.614 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.150 5.023 -0.577 1.00 0.00 H new ATOM 1061 N MET A 69 2.767 7.211 -5.785 1.00 0.00 N ATOM 1062 CA MET A 69 2.179 8.335 -5.075 1.00 0.00 C ATOM 1063 C MET A 69 1.297 9.170 -6.005 1.00 0.00 C ATOM 1064 O MET A 69 0.141 9.447 -5.687 1.00 0.00 O ATOM 1065 CB MET A 69 3.292 9.214 -4.502 1.00 0.00 C ATOM 1066 CG MET A 69 3.932 8.559 -3.275 1.00 0.00 C ATOM 1067 SD MET A 69 4.334 9.803 -2.060 1.00 0.00 S ATOM 1068 CE MET A 69 6.051 10.081 -2.457 1.00 0.00 C ATOM 0 H MET A 69 3.787 7.196 -5.791 1.00 0.00 H new ATOM 0 HA MET A 69 1.558 7.947 -4.268 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.052 9.387 -5.264 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.887 10.188 -4.229 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.249 7.827 -2.845 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.833 8.021 -3.568 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.452 10.862 -1.811 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.613 9.160 -2.305 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.138 10.391 -3.498 1.00 0.00 H new ATOM 1078 N HIS A 70 1.875 9.547 -7.136 1.00 0.00 N ATOM 1079 CA HIS A 70 1.155 10.345 -8.114 1.00 0.00 C ATOM 1080 C HIS A 70 -0.108 9.602 -8.553 1.00 0.00 C ATOM 1081 O HIS A 70 -1.192 10.181 -8.592 1.00 0.00 O ATOM 1082 CB HIS A 70 2.063 10.715 -9.288 1.00 0.00 C ATOM 1083 CG HIS A 70 1.453 11.708 -10.248 1.00 0.00 C ATOM 1084 ND1 HIS A 70 1.381 13.064 -9.978 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.889 11.530 -11.477 1.00 0.00 C ATOM 1086 CE1 HIS A 70 0.797 13.664 -11.005 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.493 12.712 -11.932 1.00 0.00 N ATOM 0 H HIS A 70 2.833 9.315 -7.397 1.00 0.00 H new ATOM 0 HA HIS A 70 0.842 11.286 -7.661 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.994 11.127 -8.898 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.320 9.808 -9.835 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.783 10.587 -11.992 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.597 14.722 -11.092 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.036 12.880 -12.828 1.00 0.00 H new ATOM 1095 N ASN A 71 0.074 8.329 -8.873 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.038 7.500 -9.307 1.00 0.00 C ATOM 1097 C ASN A 71 -2.137 7.529 -8.243 1.00 0.00 C ATOM 1098 O ASN A 71 -3.317 7.390 -8.561 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.600 6.046 -9.495 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.245 5.765 -10.957 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -0.854 4.945 -11.624 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.772 6.488 -11.415 1.00 0.00 N ATOM 0 H ASN A 71 0.975 7.851 -8.840 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.401 7.893 -10.257 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.262 5.837 -8.861 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.400 5.377 -9.176 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.086 6.373 -12.379 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.238 7.158 -10.803 1.00 0.00 H new ATOM 1109 N ASN A 72 -1.710 7.710 -7.002 1.00 0.00 N ATOM 1110 CA ASN A 72 -2.643 7.759 -5.890 1.00 0.00 C ATOM 1111 C ASN A 72 -3.242 9.164 -5.793 1.00 0.00 C ATOM 1112 O ASN A 72 -4.459 9.330 -5.861 1.00 0.00 O ATOM 1113 CB ASN A 72 -1.939 7.453 -4.566 1.00 0.00 C ATOM 1114 CG ASN A 72 -1.927 5.949 -4.287 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -2.877 5.378 -3.777 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.800 5.341 -4.647 1.00 0.00 N ATOM 0 H ASN A 72 -0.730 7.824 -6.742 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.418 7.013 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.916 7.829 -4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.444 7.974 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.693 4.337 -4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.043 5.879 -5.069 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.359 10.139 -5.636 1.00 0.00 N ATOM 1124 CA LYS A 73 -2.784 11.524 -5.529 1.00 0.00 C ATOM 1125 C LYS A 73 -3.771 11.838 -6.655 1.00 0.00 C ATOM 1126 O LYS A 73 -3.474 11.611 -7.827 1.00 0.00 O ATOM 1127 CB LYS A 73 -1.572 12.456 -5.496 1.00 0.00 C ATOM 1128 CG LYS A 73 -1.976 13.893 -5.832 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.758 14.820 -5.832 1.00 0.00 C ATOM 1130 CE LYS A 73 0.121 14.571 -7.060 1.00 0.00 C ATOM 1131 NZ LYS A 73 0.125 15.758 -7.943 1.00 0.00 N ATOM 0 H LYS A 73 -1.350 9.997 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.309 11.690 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.112 12.425 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.823 12.109 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.458 13.920 -6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.708 14.248 -5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.087 15.859 -5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.175 14.661 -4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.139 14.341 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.247 13.704 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.726 15.572 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.845 15.960 -8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.497 16.577 -7.422 1.00 0.00 H new ATOM 1145 N ASN A 74 -4.925 12.355 -6.261 1.00 0.00 N ATOM 1146 CA ASN A 74 -5.958 12.702 -7.222 1.00 0.00 C ATOM 1147 C ASN A 74 -5.314 13.381 -8.433 1.00 0.00 C ATOM 1148 O ASN A 74 -4.907 14.540 -8.356 1.00 0.00 O ATOM 1149 CB ASN A 74 -6.970 13.677 -6.617 1.00 0.00 C ATOM 1150 CG ASN A 74 -7.695 13.045 -5.427 1.00 0.00 C ATOM 1151 OD1 ASN A 74 -8.565 12.203 -5.573 1.00 0.00 O ATOM 1152 ND2 ASN A 74 -7.288 13.497 -4.244 1.00 0.00 N ATOM 0 H ASN A 74 -5.168 12.542 -5.288 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.470 11.785 -7.511 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.459 14.585 -6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.696 13.971 -7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.710 13.137 -3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.554 14.204 -4.193 1.00 0.00 H new ATOM 1159 N SER A 75 -5.240 12.631 -9.522 1.00 0.00 N ATOM 1160 CA SER A 75 -4.652 13.146 -10.747 1.00 0.00 C ATOM 1161 C SER A 75 -4.753 12.098 -11.857 1.00 0.00 C ATOM 1162 O SER A 75 -5.402 11.067 -11.685 1.00 0.00 O ATOM 1163 CB SER A 75 -3.193 13.551 -10.530 1.00 0.00 C ATOM 1164 OG SER A 75 -3.032 14.966 -10.488 1.00 0.00 O ATOM 0 H SER A 75 -5.577 11.670 -9.582 1.00 0.00 H new ATOM 0 HA SER A 75 -5.207 14.036 -11.045 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.831 13.117 -9.598 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.580 13.140 -11.332 1.00 0.00 H new ATOM 0 HG SER A 75 -3.591 15.338 -9.774 1.00 0.00 H new ATOM 1170 N GLY A 76 -4.100 12.397 -12.971 1.00 0.00 N ATOM 1171 CA GLY A 76 -4.108 11.493 -14.108 1.00 0.00 C ATOM 1172 C GLY A 76 -4.427 12.243 -15.403 1.00 0.00 C ATOM 1173 O GLY A 76 -4.505 13.471 -15.410 1.00 0.00 O ATOM 0 H GLY A 76 -3.562 13.252 -13.110 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.137 11.005 -14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.846 10.707 -13.947 1.00 0.00 H new ATOM 1177 N PRO A 77 -4.608 11.454 -16.495 1.00 0.00 N ATOM 1178 CA PRO A 77 -4.917 12.031 -17.793 1.00 0.00 C ATOM 1179 C PRO A 77 -6.371 12.503 -17.851 1.00 0.00 C ATOM 1180 O PRO A 77 -6.644 13.633 -18.251 1.00 0.00 O ATOM 1181 CB PRO A 77 -4.609 10.931 -18.796 1.00 0.00 C ATOM 1182 CG PRO A 77 -4.585 9.636 -18.000 1.00 0.00 C ATOM 1183 CD PRO A 77 -4.523 9.997 -16.524 1.00 0.00 C ATOM 0 HA PRO A 77 -4.329 12.923 -18.007 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.366 10.894 -19.580 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.651 11.106 -19.286 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.474 9.042 -18.211 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.723 9.031 -18.282 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.344 9.541 -15.970 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.597 9.645 -16.069 1.00 0.00 H new ATOM 1191 N SER A 78 -7.265 11.613 -17.445 1.00 0.00 N ATOM 1192 CA SER A 78 -8.684 11.925 -17.446 1.00 0.00 C ATOM 1193 C SER A 78 -9.095 12.489 -18.807 1.00 0.00 C ATOM 1194 O SER A 78 -9.056 13.700 -19.019 1.00 0.00 O ATOM 1195 CB SER A 78 -9.031 12.917 -16.334 1.00 0.00 C ATOM 1196 OG SER A 78 -8.971 12.315 -15.044 1.00 0.00 O ATOM 0 H SER A 78 -7.034 10.676 -17.113 1.00 0.00 H new ATOM 0 HA SER A 78 -9.236 11.004 -17.260 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.342 13.761 -16.373 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.032 13.315 -16.502 1.00 0.00 H new ATOM 0 HG SER A 78 -9.197 12.981 -14.361 1.00 0.00 H new ATOM 1202 N SER A 79 -9.481 11.584 -19.695 1.00 0.00 N ATOM 1203 CA SER A 79 -9.899 11.977 -21.030 1.00 0.00 C ATOM 1204 C SER A 79 -11.185 12.802 -20.955 1.00 0.00 C ATOM 1205 O SER A 79 -11.933 12.704 -19.984 1.00 0.00 O ATOM 1206 CB SER A 79 -10.105 10.753 -21.925 1.00 0.00 C ATOM 1207 OG SER A 79 -9.039 10.585 -22.855 1.00 0.00 O ATOM 0 H SER A 79 -9.513 10.580 -19.516 1.00 0.00 H new ATOM 0 HA SER A 79 -9.110 12.587 -21.470 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.189 9.861 -21.305 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.046 10.854 -22.466 1.00 0.00 H new ATOM 0 HG SER A 79 -9.208 9.792 -23.406 1.00 0.00 H new ATOM 1213 N GLY A 80 -11.402 13.597 -21.992 1.00 0.00 N ATOM 1214 CA GLY A 80 -12.584 14.439 -22.055 1.00 0.00 C ATOM 1215 C GLY A 80 -13.182 14.439 -23.464 1.00 0.00 C ATOM 1216 O GLY A 80 -12.698 13.734 -24.348 1.00 0.00 O ATOM 0 H GLY A 80 -10.779 13.676 -22.796 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.327 14.084 -21.341 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.325 15.458 -21.766 1.00 0.00 H new TER 1220 GLY A 80