USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 814 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 62 THR OG1 : rot 150:sc= 0.416 USER MOD Set 1.2: A 66 GLN : amide:sc= 1.2 K(o=1.6,f=-1.2!) USER MOD Set 2.1: A 19 HIS : no HE2:sc= -14.2! C(o=-16!,f=-15!) USER MOD Set 2.2: A 21 MET CE :methyl -119:sc= -1.26 (180deg=-0.92) USER MOD Set 2.3: A 87 HIS : no HD1:sc= -0.648 K(o=-16,f=-15) USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 90 GLN : amide:sc= -2 X(o=-2,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0902 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.8!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.364 K(o=-0.36,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.562 K(o=-0.56,f=-5.2) USER MOD Single : A 35 GLN : amide:sc= -0.751 K(o=-0.75,f=-3.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.24 X(o=-2.2,f=-2.5) USER MOD Single : A 46 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-3.9!) USER MOD Single : A 50 ASN : amide:sc= -0.724 K(o=-0.72,f=-2.3) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.63 K(o=-1.6,f=-3.2!) USER MOD Single : A 59 MET CE :methyl -177:sc= -1.39 (180deg=-1.48) USER MOD Single : A 61 THR OG1 : rot -21:sc= 0.17 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -77:sc= 1.03 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 82 LYS NZ :NH3+ -112:sc= -3.54! (180deg=-8.29!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= 0.0417 (180deg=-0.296) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0422) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 54:sc= 0.222 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.219 -16.236 12.665 1.00 0.00 N ATOM 2 CA GLY A 1 -14.026 -15.034 12.770 1.00 0.00 C ATOM 3 C GLY A 1 -15.037 -14.914 11.647 1.00 0.00 C ATOM 4 O GLY A 1 -15.245 -15.860 10.886 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.150 -16.690 13.598 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.662 -16.894 11.992 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.267 -15.987 12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.549 -15.033 13.727 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.374 -14.161 12.762 1.00 0.00 H new ATOM 8 N SER A 2 -15.669 -13.750 11.543 1.00 0.00 N ATOM 9 CA SER A 2 -16.667 -13.512 10.508 1.00 0.00 C ATOM 10 C SER A 2 -16.884 -12.017 10.294 1.00 0.00 C ATOM 11 O SER A 2 -16.913 -11.240 11.250 1.00 0.00 O ATOM 12 CB SER A 2 -17.991 -14.182 10.883 1.00 0.00 C ATOM 13 OG SER A 2 -18.837 -14.308 9.754 1.00 0.00 O ATOM 0 H SER A 2 -15.507 -12.957 12.163 1.00 0.00 H new ATOM 0 HA SER A 2 -16.299 -13.944 9.578 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.796 -15.167 11.307 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.493 -13.597 11.654 1.00 0.00 H new ATOM 0 HG SER A 2 -19.675 -14.740 10.020 1.00 0.00 H new ATOM 19 N SER A 3 -17.036 -11.620 9.035 1.00 0.00 N ATOM 20 CA SER A 3 -17.245 -10.218 8.694 1.00 0.00 C ATOM 21 C SER A 3 -18.382 -10.068 7.688 1.00 0.00 C ATOM 22 O SER A 3 -18.459 -10.807 6.707 1.00 0.00 O ATOM 23 CB SER A 3 -15.961 -9.612 8.125 1.00 0.00 C ATOM 24 OG SER A 3 -15.732 -8.316 8.652 1.00 0.00 O ATOM 0 H SER A 3 -17.018 -12.250 8.233 1.00 0.00 H new ATOM 0 HA SER A 3 -17.516 -9.684 9.605 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.115 -10.258 8.359 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.030 -9.559 7.038 1.00 0.00 H new ATOM 0 HG SER A 3 -14.905 -7.951 8.274 1.00 0.00 H new ATOM 30 N GLY A 4 -19.263 -9.104 7.939 1.00 0.00 N ATOM 31 CA GLY A 4 -20.384 -8.874 7.046 1.00 0.00 C ATOM 32 C GLY A 4 -20.059 -7.875 5.953 1.00 0.00 C ATOM 33 O GLY A 4 -19.246 -8.151 5.072 1.00 0.00 O ATOM 0 H GLY A 4 -19.221 -8.479 8.744 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.683 -9.819 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.236 -8.513 7.623 1.00 0.00 H new ATOM 37 N SER A 5 -20.696 -6.710 6.011 1.00 0.00 N ATOM 38 CA SER A 5 -20.475 -5.668 5.014 1.00 0.00 C ATOM 39 C SER A 5 -20.880 -6.149 3.625 1.00 0.00 C ATOM 40 O SER A 5 -20.050 -6.641 2.861 1.00 0.00 O ATOM 41 CB SER A 5 -19.005 -5.241 5.011 1.00 0.00 C ATOM 42 OG SER A 5 -18.870 -3.884 4.624 1.00 0.00 O ATOM 0 H SER A 5 -21.369 -6.464 6.737 1.00 0.00 H new ATOM 0 HA SER A 5 -21.095 -4.811 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.579 -5.383 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.440 -5.875 4.328 1.00 0.00 H new ATOM 0 HG SER A 5 -17.922 -3.634 4.631 1.00 0.00 H new ATOM 48 N SER A 6 -22.162 -6.004 3.306 1.00 0.00 N ATOM 49 CA SER A 6 -22.680 -6.427 2.010 1.00 0.00 C ATOM 50 C SER A 6 -23.709 -5.431 1.484 1.00 0.00 C ATOM 51 O SER A 6 -24.369 -4.736 2.257 1.00 0.00 O ATOM 52 CB SER A 6 -23.308 -7.818 2.117 1.00 0.00 C ATOM 53 OG SER A 6 -24.469 -7.791 2.930 1.00 0.00 O ATOM 0 H SER A 6 -22.861 -5.597 3.927 1.00 0.00 H new ATOM 0 HA SER A 6 -21.846 -6.466 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.565 -8.182 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.583 -8.517 2.535 1.00 0.00 H new ATOM 0 HG SER A 6 -24.853 -8.691 2.982 1.00 0.00 H new ATOM 59 N GLY A 7 -23.841 -5.367 0.162 1.00 0.00 N ATOM 60 CA GLY A 7 -24.791 -4.454 -0.445 1.00 0.00 C ATOM 61 C GLY A 7 -24.190 -3.676 -1.599 1.00 0.00 C ATOM 62 O GLY A 7 -23.820 -4.255 -2.619 1.00 0.00 O ATOM 0 H GLY A 7 -23.307 -5.931 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.655 -5.016 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.153 -3.756 0.310 1.00 0.00 H new ATOM 66 N GLN A 8 -24.095 -2.360 -1.438 1.00 0.00 N ATOM 67 CA GLN A 8 -23.537 -1.502 -2.476 1.00 0.00 C ATOM 68 C GLN A 8 -22.887 -0.264 -1.869 1.00 0.00 C ATOM 69 O GLN A 8 -23.551 0.545 -1.221 1.00 0.00 O ATOM 70 CB GLN A 8 -24.629 -1.086 -3.465 1.00 0.00 C ATOM 71 CG GLN A 8 -24.092 -0.412 -4.717 1.00 0.00 C ATOM 72 CD GLN A 8 -24.958 -0.667 -5.935 1.00 0.00 C ATOM 73 OE1 GLN A 8 -25.634 -1.692 -6.026 1.00 0.00 O ATOM 74 NE2 GLN A 8 -24.942 0.267 -6.878 1.00 0.00 N ATOM 0 H GLN A 8 -24.397 -1.865 -0.599 1.00 0.00 H new ATOM 0 HA GLN A 8 -22.772 -2.068 -3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -25.201 -1.968 -3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -25.321 -0.408 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -24.021 0.662 -4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -23.082 -0.771 -4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -24.366 1.101 -6.760 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -25.505 0.151 -7.720 1.00 0.00 H new ATOM 83 N LYS A 9 -21.583 -0.122 -2.083 1.00 0.00 N ATOM 84 CA LYS A 9 -20.840 1.019 -1.558 1.00 0.00 C ATOM 85 C LYS A 9 -20.988 2.231 -2.471 1.00 0.00 C ATOM 86 O LYS A 9 -21.359 2.100 -3.637 1.00 0.00 O ATOM 87 CB LYS A 9 -19.361 0.662 -1.401 1.00 0.00 C ATOM 88 CG LYS A 9 -18.657 0.394 -2.719 1.00 0.00 C ATOM 89 CD LYS A 9 -17.247 -0.131 -2.503 1.00 0.00 C ATOM 90 CE LYS A 9 -17.160 -1.625 -2.772 1.00 0.00 C ATOM 91 NZ LYS A 9 -17.193 -2.419 -1.513 1.00 0.00 N ATOM 0 H LYS A 9 -21.018 -0.783 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 9 -21.252 1.271 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.852 1.477 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -19.274 -0.220 -0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.231 -0.330 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.618 1.312 -3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.556 0.398 -3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.934 0.074 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.988 -1.927 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.240 -1.843 -3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.131 -3.432 -1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.389 -2.149 -0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.082 -2.231 -1.007 1.00 0.00 H new ATOM 105 N GLY A 10 -20.693 3.411 -1.933 1.00 0.00 N ATOM 106 CA GLY A 10 -20.798 4.629 -2.715 1.00 0.00 C ATOM 107 C GLY A 10 -19.465 5.069 -3.284 1.00 0.00 C ATOM 108 O GLY A 10 -19.407 5.653 -4.367 1.00 0.00 O ATOM 0 H GLY A 10 -20.383 3.545 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -21.504 4.474 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.203 5.425 -2.090 1.00 0.00 H new ATOM 112 N ARG A 11 -18.390 4.790 -2.554 1.00 0.00 N ATOM 113 CA ARG A 11 -17.050 5.164 -2.991 1.00 0.00 C ATOM 114 C ARG A 11 -16.922 6.679 -3.118 1.00 0.00 C ATOM 115 O ARG A 11 -17.923 7.396 -3.157 1.00 0.00 O ATOM 116 CB ARG A 11 -16.725 4.500 -4.332 1.00 0.00 C ATOM 117 CG ARG A 11 -15.779 3.316 -4.211 1.00 0.00 C ATOM 118 CD ARG A 11 -16.027 2.292 -5.307 1.00 0.00 C ATOM 119 NE ARG A 11 -15.237 2.569 -6.504 1.00 0.00 N ATOM 120 CZ ARG A 11 -15.470 2.007 -7.685 1.00 0.00 C ATOM 121 NH1 ARG A 11 -16.465 1.143 -7.827 1.00 0.00 N ATOM 122 NH2 ARG A 11 -14.706 2.310 -8.727 1.00 0.00 N ATOM 0 H ARG A 11 -18.421 4.306 -1.657 1.00 0.00 H new ATOM 0 HA ARG A 11 -16.340 4.819 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -17.653 4.167 -4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.283 5.241 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.748 3.666 -4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.906 2.845 -3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.784 1.297 -4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -17.086 2.286 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.464 3.230 -6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -17.054 0.908 -7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.641 0.713 -8.735 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.940 2.975 -8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.885 1.878 -9.634 1.00 0.00 H new ATOM 136 N VAL A 12 -15.685 7.159 -3.181 1.00 0.00 N ATOM 137 CA VAL A 12 -15.426 8.589 -3.303 1.00 0.00 C ATOM 138 C VAL A 12 -14.058 8.848 -3.925 1.00 0.00 C ATOM 139 O VAL A 12 -13.054 8.279 -3.499 1.00 0.00 O ATOM 140 CB VAL A 12 -15.497 9.291 -1.934 1.00 0.00 C ATOM 141 CG1 VAL A 12 -16.892 9.846 -1.690 1.00 0.00 C ATOM 142 CG2 VAL A 12 -15.092 8.335 -0.823 1.00 0.00 C ATOM 0 H VAL A 12 -14.846 6.579 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.200 8.997 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.796 10.125 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.923 10.338 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -17.138 10.567 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.616 9.031 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.148 8.848 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.766 7.478 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.071 7.992 -0.992 1.00 0.00 H new ATOM 152 N GLU A 13 -14.028 9.713 -4.934 1.00 0.00 N ATOM 153 CA GLU A 13 -12.782 10.047 -5.615 1.00 0.00 C ATOM 154 C GLU A 13 -11.963 11.039 -4.795 1.00 0.00 C ATOM 155 O GLU A 13 -12.159 12.251 -4.886 1.00 0.00 O ATOM 156 CB GLU A 13 -13.072 10.631 -7.000 1.00 0.00 C ATOM 157 CG GLU A 13 -11.821 10.931 -7.808 1.00 0.00 C ATOM 158 CD GLU A 13 -12.123 11.675 -9.094 1.00 0.00 C ATOM 159 OE1 GLU A 13 -12.390 12.892 -9.028 1.00 0.00 O ATOM 160 OE2 GLU A 13 -12.089 11.038 -10.168 1.00 0.00 O ATOM 0 H GLU A 13 -14.850 10.194 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.203 9.130 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.695 9.931 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.649 11.549 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.135 11.523 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.312 9.996 -8.044 1.00 0.00 H new ATOM 167 N THR A 14 -11.042 10.515 -3.991 1.00 0.00 N ATOM 168 CA THR A 14 -10.194 11.352 -3.152 1.00 0.00 C ATOM 169 C THR A 14 -8.719 11.027 -3.362 1.00 0.00 C ATOM 170 O THR A 14 -8.372 10.187 -4.193 1.00 0.00 O ATOM 171 CB THR A 14 -10.536 11.184 -1.660 1.00 0.00 C ATOM 172 OG1 THR A 14 -9.991 9.956 -1.167 1.00 0.00 O ATOM 173 CG2 THR A 14 -12.043 11.197 -1.447 1.00 0.00 C ATOM 0 H THR A 14 -10.865 9.514 -3.904 1.00 0.00 H new ATOM 0 HA THR A 14 -10.382 12.385 -3.446 1.00 0.00 H new ATOM 0 HB THR A 14 -10.099 12.020 -1.113 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.212 9.858 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.262 11.077 -0.386 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.452 12.145 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.497 10.378 -2.006 1.00 0.00 H new ATOM 181 N ARG A 15 -7.857 11.695 -2.605 1.00 0.00 N ATOM 182 CA ARG A 15 -6.418 11.476 -2.709 1.00 0.00 C ATOM 183 C ARG A 15 -6.102 9.988 -2.826 1.00 0.00 C ATOM 184 O ARG A 15 -6.952 9.139 -2.556 1.00 0.00 O ATOM 185 CB ARG A 15 -5.702 12.067 -1.493 1.00 0.00 C ATOM 186 CG ARG A 15 -5.467 13.565 -1.593 1.00 0.00 C ATOM 187 CD ARG A 15 -5.698 14.255 -0.257 1.00 0.00 C ATOM 188 NE ARG A 15 -7.095 14.184 0.162 1.00 0.00 N ATOM 189 CZ ARG A 15 -7.575 14.811 1.229 1.00 0.00 C ATOM 190 NH1 ARG A 15 -6.775 15.555 1.981 1.00 0.00 N ATOM 191 NH2 ARG A 15 -8.859 14.698 1.546 1.00 0.00 N ATOM 0 H ARG A 15 -8.128 12.393 -1.912 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.063 11.977 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.290 11.859 -0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.743 11.565 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.447 13.753 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.134 13.990 -2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.068 13.793 0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.395 15.299 -0.331 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.737 13.622 -0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.788 15.647 1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.147 16.036 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.478 14.129 0.969 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.226 15.180 2.366 1.00 0.00 H new ATOM 205 N ARG A 16 -4.874 9.679 -3.229 1.00 0.00 N ATOM 206 CA ARG A 16 -4.447 8.293 -3.384 1.00 0.00 C ATOM 207 C ARG A 16 -3.317 7.962 -2.413 1.00 0.00 C ATOM 208 O ARG A 16 -2.176 8.386 -2.605 1.00 0.00 O ATOM 209 CB ARG A 16 -3.992 8.035 -4.821 1.00 0.00 C ATOM 210 CG ARG A 16 -4.701 8.900 -5.849 1.00 0.00 C ATOM 211 CD ARG A 16 -4.121 10.305 -5.893 1.00 0.00 C ATOM 212 NE ARG A 16 -5.142 11.327 -5.680 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.874 12.624 -5.584 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.625 13.057 -5.681 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.858 13.494 -5.389 1.00 0.00 N ATOM 0 H ARG A 16 -4.157 10.369 -3.454 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.297 7.649 -3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.918 8.210 -4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.160 6.986 -5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.616 8.440 -6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.764 8.952 -5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.347 10.402 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.641 10.468 -6.858 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.114 11.028 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.865 12.393 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.424 14.054 -5.607 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.821 13.166 -5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.651 14.490 -5.315 1.00 0.00 H new ATOM 229 N VAL A 17 -3.641 7.203 -1.371 1.00 0.00 N ATOM 230 CA VAL A 17 -2.654 6.815 -0.371 1.00 0.00 C ATOM 231 C VAL A 17 -2.868 5.376 0.082 1.00 0.00 C ATOM 232 O VAL A 17 -3.626 5.113 1.015 1.00 0.00 O ATOM 233 CB VAL A 17 -2.705 7.741 0.858 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.788 7.224 1.955 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.334 9.164 0.468 1.00 0.00 C ATOM 0 H VAL A 17 -4.580 6.845 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.675 6.903 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.724 7.748 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.838 7.892 2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.104 6.224 2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.764 7.185 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.375 9.805 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.325 9.177 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.036 9.531 -0.281 1.00 0.00 H new ATOM 245 N VAL A 18 -2.194 4.443 -0.586 1.00 0.00 N ATOM 246 CA VAL A 18 -2.308 3.029 -0.251 1.00 0.00 C ATOM 247 C VAL A 18 -1.388 2.663 0.908 1.00 0.00 C ATOM 248 O VAL A 18 -0.166 2.625 0.755 1.00 0.00 O ATOM 249 CB VAL A 18 -1.975 2.137 -1.461 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.801 2.712 -2.240 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.679 0.715 -1.008 1.00 0.00 C ATOM 0 H VAL A 18 -1.563 4.642 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.343 2.855 0.043 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.842 2.111 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.579 2.069 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.055 3.711 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.073 2.769 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.446 0.098 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.828 0.720 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.551 0.307 -0.497 1.00 0.00 H new ATOM 261 N HIS A 19 -1.981 2.391 2.066 1.00 0.00 N ATOM 262 CA HIS A 19 -1.213 2.026 3.250 1.00 0.00 C ATOM 263 C HIS A 19 -0.952 0.523 3.286 1.00 0.00 C ATOM 264 O HIS A 19 -1.879 -0.280 3.177 1.00 0.00 O ATOM 265 CB HIS A 19 -1.954 2.456 4.517 1.00 0.00 C ATOM 266 CG HIS A 19 -1.358 1.907 5.776 1.00 0.00 C ATOM 267 ND1 HIS A 19 -2.115 1.522 6.862 1.00 0.00 N ATOM 268 CD2 HIS A 19 -0.069 1.678 6.118 1.00 0.00 C ATOM 269 CE1 HIS A 19 -1.317 1.080 7.818 1.00 0.00 C ATOM 270 NE2 HIS A 19 -0.070 1.165 7.392 1.00 0.00 N ATOM 0 H HIS A 19 -2.991 2.417 2.209 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.255 2.543 3.205 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.960 3.545 4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.993 2.135 4.447 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -3.132 1.571 6.919 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.799 1.864 5.503 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.631 0.712 8.783 1.00 0.00 H new ATOM 278 N ILE A 20 0.314 0.151 3.438 1.00 0.00 N ATOM 279 CA ILE A 20 0.696 -1.255 3.489 1.00 0.00 C ATOM 280 C ILE A 20 1.385 -1.590 4.807 1.00 0.00 C ATOM 281 O ILE A 20 2.296 -0.886 5.240 1.00 0.00 O ATOM 282 CB ILE A 20 1.633 -1.625 2.324 1.00 0.00 C ATOM 283 CG1 ILE A 20 1.040 -1.156 0.994 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.879 -3.127 2.300 1.00 0.00 C ATOM 285 CD1 ILE A 20 2.015 -0.376 0.140 1.00 0.00 C ATOM 0 H ILE A 20 1.093 0.803 3.528 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.223 -1.836 3.405 1.00 0.00 H new ATOM 0 HB ILE A 20 2.588 -1.121 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.693 -2.024 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.167 -0.535 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.543 -3.374 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.340 -3.435 3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.931 -3.649 2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.527 -0.075 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.344 0.511 0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.878 -1.001 -0.090 1.00 0.00 H new ATOM 297 N MET A 21 0.944 -2.672 5.441 1.00 0.00 N ATOM 298 CA MET A 21 1.520 -3.103 6.708 1.00 0.00 C ATOM 299 C MET A 21 1.837 -4.595 6.683 1.00 0.00 C ATOM 300 O MET A 21 1.521 -5.290 5.716 1.00 0.00 O ATOM 301 CB MET A 21 0.562 -2.793 7.861 1.00 0.00 C ATOM 302 CG MET A 21 -0.257 -1.530 7.646 1.00 0.00 C ATOM 303 SD MET A 21 -2.023 -1.864 7.503 1.00 0.00 S ATOM 304 CE MET A 21 -2.286 -1.550 5.759 1.00 0.00 C ATOM 0 H MET A 21 0.189 -3.266 5.097 1.00 0.00 H new ATOM 0 HA MET A 21 2.450 -2.555 6.860 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.115 -3.637 7.997 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.136 -2.692 8.782 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.087 -0.845 8.477 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.088 -1.027 6.743 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.000 -0.735 5.640 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.340 -1.275 5.292 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.678 -2.449 5.283 1.00 0.00 H new ATOM 314 N ASP A 22 2.462 -5.082 7.749 1.00 0.00 N ATOM 315 CA ASP A 22 2.820 -6.492 7.849 1.00 0.00 C ATOM 316 C ASP A 22 3.828 -6.874 6.769 1.00 0.00 C ATOM 317 O ASP A 22 3.934 -8.040 6.389 1.00 0.00 O ATOM 318 CB ASP A 22 1.572 -7.367 7.730 1.00 0.00 C ATOM 319 CG ASP A 22 0.946 -7.668 9.078 1.00 0.00 C ATOM 320 OD1 ASP A 22 1.566 -8.412 9.867 1.00 0.00 O ATOM 321 OD2 ASP A 22 -0.163 -7.159 9.346 1.00 0.00 O ATOM 0 H ASP A 22 2.731 -4.521 8.557 1.00 0.00 H new ATOM 0 HA ASP A 22 3.278 -6.657 8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.840 -6.867 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.834 -8.303 7.237 1.00 0.00 H new ATOM 326 N PHE A 23 4.565 -5.883 6.278 1.00 0.00 N ATOM 327 CA PHE A 23 5.563 -6.115 5.240 1.00 0.00 C ATOM 328 C PHE A 23 6.974 -5.934 5.792 1.00 0.00 C ATOM 329 O PHE A 23 7.253 -4.973 6.507 1.00 0.00 O ATOM 330 CB PHE A 23 5.338 -5.162 4.064 1.00 0.00 C ATOM 331 CG PHE A 23 5.756 -3.748 4.351 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.062 -3.341 4.136 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.842 -2.826 4.835 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.451 -2.040 4.398 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.225 -1.524 5.098 1.00 0.00 C ATOM 336 CZ PHE A 23 6.531 -1.131 4.880 1.00 0.00 C ATOM 0 H PHE A 23 4.490 -4.912 6.582 1.00 0.00 H new ATOM 0 HA PHE A 23 5.456 -7.142 4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.891 -5.528 3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.282 -5.173 3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.786 -4.048 3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.820 -3.128 5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.473 -1.736 4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.503 -0.814 5.474 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.832 -0.114 5.086 1.00 0.00 H new ATOM 346 N GLN A 24 7.858 -6.869 5.456 1.00 0.00 N ATOM 347 CA GLN A 24 9.241 -6.813 5.919 1.00 0.00 C ATOM 348 C GLN A 24 10.138 -6.156 4.876 1.00 0.00 C ATOM 349 O GLN A 24 9.676 -5.761 3.806 1.00 0.00 O ATOM 350 CB GLN A 24 9.751 -8.220 6.235 1.00 0.00 C ATOM 351 CG GLN A 24 8.979 -8.912 7.347 1.00 0.00 C ATOM 352 CD GLN A 24 9.455 -8.506 8.728 1.00 0.00 C ATOM 353 OE1 GLN A 24 10.619 -8.154 8.917 1.00 0.00 O ATOM 354 NE2 GLN A 24 8.553 -8.553 9.702 1.00 0.00 N ATOM 0 H GLN A 24 7.642 -7.673 4.866 1.00 0.00 H new ATOM 0 HA GLN A 24 9.270 -6.211 6.827 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.696 -8.829 5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.803 -8.162 6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.919 -8.677 7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.078 -9.992 7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.599 -8.851 9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.815 -8.291 10.652 1.00 0.00 H new ATOM 363 N ARG A 25 11.423 -6.042 5.196 1.00 0.00 N ATOM 364 CA ARG A 25 12.386 -5.432 4.287 1.00 0.00 C ATOM 365 C ARG A 25 13.495 -6.416 3.929 1.00 0.00 C ATOM 366 O ARG A 25 13.625 -7.473 4.545 1.00 0.00 O ATOM 367 CB ARG A 25 12.988 -4.175 4.917 1.00 0.00 C ATOM 368 CG ARG A 25 11.953 -3.130 5.300 1.00 0.00 C ATOM 369 CD ARG A 25 12.445 -1.722 4.998 1.00 0.00 C ATOM 370 NE ARG A 25 13.115 -1.118 6.147 1.00 0.00 N ATOM 371 CZ ARG A 25 13.898 -0.049 6.061 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.109 0.530 4.888 1.00 0.00 N ATOM 373 NH2 ARG A 25 14.472 0.442 7.153 1.00 0.00 N ATOM 0 H ARG A 25 11.821 -6.364 6.078 1.00 0.00 H new ATOM 0 HA ARG A 25 11.861 -5.156 3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.552 -4.459 5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.697 -3.732 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.027 -3.317 4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.723 -3.216 6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.132 -1.752 4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.601 -1.099 4.702 1.00 0.00 H new ATOM 0 HE ARG A 25 12.974 -1.540 7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.669 0.155 4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.711 1.351 4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.311 -0.002 8.057 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.074 1.263 7.088 1.00 0.00 H new ATOM 387 N GLY A 26 14.294 -6.060 2.926 1.00 0.00 N ATOM 388 CA GLY A 26 15.382 -6.923 2.503 1.00 0.00 C ATOM 389 C GLY A 26 16.356 -6.217 1.580 1.00 0.00 C ATOM 390 O GLY A 26 17.157 -5.394 2.024 1.00 0.00 O ATOM 0 H GLY A 26 14.207 -5.190 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.916 -7.286 3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.973 -7.796 1.995 1.00 0.00 H new ATOM 394 N LYS A 27 16.289 -6.542 0.293 1.00 0.00 N ATOM 395 CA LYS A 27 17.171 -5.934 -0.696 1.00 0.00 C ATOM 396 C LYS A 27 16.372 -5.141 -1.725 1.00 0.00 C ATOM 397 O LYS A 27 16.652 -3.969 -1.973 1.00 0.00 O ATOM 398 CB LYS A 27 18.002 -7.011 -1.398 1.00 0.00 C ATOM 399 CG LYS A 27 19.068 -6.450 -2.323 1.00 0.00 C ATOM 400 CD LYS A 27 20.225 -7.419 -2.494 1.00 0.00 C ATOM 401 CE LYS A 27 21.448 -6.972 -1.709 1.00 0.00 C ATOM 402 NZ LYS A 27 21.600 -7.732 -0.438 1.00 0.00 N ATOM 0 H LYS A 27 15.633 -7.223 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 27 17.840 -5.248 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.480 -7.638 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.336 -7.655 -1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.628 -6.232 -3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.439 -5.507 -1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.921 -8.412 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 27 20.480 -7.500 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 27 22.340 -7.105 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 27 21.369 -5.908 -1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 22.445 -7.398 0.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.760 -7.585 0.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.702 -8.745 -0.649 1.00 0.00 H new ATOM 416 N ASN A 28 15.375 -5.788 -2.319 1.00 0.00 N ATOM 417 CA ASN A 28 14.534 -5.142 -3.320 1.00 0.00 C ATOM 418 C ASN A 28 13.128 -4.903 -2.778 1.00 0.00 C ATOM 419 O ASN A 28 12.145 -4.977 -3.516 1.00 0.00 O ATOM 420 CB ASN A 28 14.466 -5.998 -4.587 1.00 0.00 C ATOM 421 CG ASN A 28 15.824 -6.183 -5.235 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.548 -7.128 -4.924 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.175 -5.277 -6.140 1.00 0.00 N ATOM 0 H ASN A 28 15.130 -6.759 -2.125 1.00 0.00 H new ATOM 0 HA ASN A 28 14.978 -4.177 -3.564 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.049 -6.974 -4.340 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.787 -5.532 -5.301 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.078 -5.348 -6.609 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.542 -4.510 -6.366 1.00 0.00 H new ATOM 430 N LEU A 29 13.041 -4.614 -1.484 1.00 0.00 N ATOM 431 CA LEU A 29 11.755 -4.363 -0.841 1.00 0.00 C ATOM 432 C LEU A 29 11.021 -3.214 -1.525 1.00 0.00 C ATOM 433 O LEU A 29 9.901 -3.381 -2.007 1.00 0.00 O ATOM 434 CB LEU A 29 11.958 -4.042 0.640 1.00 0.00 C ATOM 435 CG LEU A 29 10.705 -3.639 1.417 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.262 -2.238 1.026 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.584 -4.640 1.178 1.00 0.00 C ATOM 0 H LEU A 29 13.845 -4.548 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 29 11.148 -5.264 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.396 -4.915 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.686 -3.235 0.720 1.00 0.00 H new ATOM 0 HG LEU A 29 10.945 -3.639 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.369 -1.968 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.059 -1.529 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.040 -2.211 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.700 -4.337 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.346 -4.672 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.902 -5.629 1.509 1.00 0.00 H new ATOM 449 N ARG A 30 11.660 -2.050 -1.565 1.00 0.00 N ATOM 450 CA ARG A 30 11.067 -0.874 -2.191 1.00 0.00 C ATOM 451 C ARG A 30 10.294 -1.260 -3.449 1.00 0.00 C ATOM 452 O ARG A 30 9.344 -0.580 -3.839 1.00 0.00 O ATOM 453 CB ARG A 30 12.152 0.147 -2.538 1.00 0.00 C ATOM 454 CG ARG A 30 11.603 1.471 -3.045 1.00 0.00 C ATOM 455 CD ARG A 30 12.721 2.449 -3.372 1.00 0.00 C ATOM 456 NE ARG A 30 13.701 2.541 -2.292 1.00 0.00 N ATOM 457 CZ ARG A 30 14.857 3.185 -2.402 1.00 0.00 C ATOM 458 NH1 ARG A 30 15.177 3.789 -3.538 1.00 0.00 N ATOM 459 NH2 ARG A 30 15.696 3.225 -1.375 1.00 0.00 N ATOM 0 H ARG A 30 12.588 -1.896 -1.172 1.00 0.00 H new ATOM 0 HA ARG A 30 10.371 -0.427 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.762 0.331 -1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.810 -0.278 -3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.997 1.298 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.946 1.906 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.220 2.136 -4.289 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.296 3.435 -3.561 1.00 0.00 H new ATOM 0 HE ARG A 30 13.485 2.086 -1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.535 3.760 -4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.066 4.283 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.453 2.761 -0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.584 3.720 -1.461 1.00 0.00 H new ATOM 473 N TYR A 31 10.709 -2.352 -4.080 1.00 0.00 N ATOM 474 CA TYR A 31 10.058 -2.826 -5.296 1.00 0.00 C ATOM 475 C TYR A 31 8.913 -3.778 -4.964 1.00 0.00 C ATOM 476 O TYR A 31 7.848 -3.723 -5.580 1.00 0.00 O ATOM 477 CB TYR A 31 11.072 -3.526 -6.203 1.00 0.00 C ATOM 478 CG TYR A 31 10.439 -4.448 -7.220 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.175 -5.777 -6.914 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.104 -3.989 -8.488 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.597 -6.623 -7.840 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.525 -4.828 -9.421 1.00 0.00 C ATOM 483 CZ TYR A 31 9.274 -6.144 -9.092 1.00 0.00 C ATOM 484 OH TYR A 31 8.697 -6.983 -10.018 1.00 0.00 O ATOM 0 H TYR A 31 11.493 -2.926 -3.770 1.00 0.00 H new ATOM 0 HA TYR A 31 9.649 -1.962 -5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.661 -2.772 -6.725 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.764 -4.099 -5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.426 -6.156 -5.934 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.299 -2.959 -8.749 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.399 -7.654 -7.585 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.270 -4.456 -10.402 1.00 0.00 H new ATOM 0 HH TYR A 31 8.531 -6.489 -10.848 1.00 0.00 H new ATOM 494 N GLN A 32 9.141 -4.650 -3.988 1.00 0.00 N ATOM 495 CA GLN A 32 8.128 -5.615 -3.574 1.00 0.00 C ATOM 496 C GLN A 32 6.811 -4.917 -3.250 1.00 0.00 C ATOM 497 O GLN A 32 5.733 -5.460 -3.492 1.00 0.00 O ATOM 498 CB GLN A 32 8.614 -6.405 -2.358 1.00 0.00 C ATOM 499 CG GLN A 32 9.883 -7.200 -2.615 1.00 0.00 C ATOM 500 CD GLN A 32 9.652 -8.698 -2.573 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.887 -9.197 -1.747 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.316 -9.425 -3.465 1.00 0.00 N ATOM 0 H GLN A 32 10.017 -4.709 -3.469 1.00 0.00 H new ATOM 0 HA GLN A 32 7.958 -6.304 -4.402 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.789 -5.714 -1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.826 -7.088 -2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.288 -6.926 -3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.633 -6.931 -1.871 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.940 -8.970 -4.131 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.202 -10.438 -3.484 1.00 0.00 H new ATOM 511 N LEU A 33 6.906 -3.711 -2.701 1.00 0.00 N ATOM 512 CA LEU A 33 5.722 -2.938 -2.344 1.00 0.00 C ATOM 513 C LEU A 33 5.189 -2.169 -3.548 1.00 0.00 C ATOM 514 O LEU A 33 3.991 -2.195 -3.834 1.00 0.00 O ATOM 515 CB LEU A 33 6.047 -1.967 -1.207 1.00 0.00 C ATOM 516 CG LEU A 33 6.484 -2.602 0.114 1.00 0.00 C ATOM 517 CD1 LEU A 33 6.999 -1.539 1.072 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.333 -3.374 0.741 1.00 0.00 C ATOM 0 H LEU A 33 7.791 -3.248 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 33 4.951 -3.633 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.838 -1.296 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.167 -1.353 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 33 7.295 -3.301 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.305 -2.009 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.853 -1.029 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.209 -0.816 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.662 -3.819 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.502 -2.696 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.009 -4.161 0.060 1.00 0.00 H new ATOM 530 N LEU A 34 6.086 -1.487 -4.252 1.00 0.00 N ATOM 531 CA LEU A 34 5.707 -0.712 -5.429 1.00 0.00 C ATOM 532 C LEU A 34 5.169 -1.621 -6.529 1.00 0.00 C ATOM 533 O LEU A 34 4.454 -1.171 -7.424 1.00 0.00 O ATOM 534 CB LEU A 34 6.906 0.083 -5.948 1.00 0.00 C ATOM 535 CG LEU A 34 7.364 1.253 -5.076 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.763 1.698 -5.472 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.383 2.412 -5.182 1.00 0.00 C ATOM 0 H LEU A 34 7.081 -1.455 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 34 4.918 -0.018 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.745 -0.602 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.660 0.468 -6.938 1.00 0.00 H new ATOM 0 HG LEU A 34 7.392 0.920 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.072 2.531 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.458 0.869 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.763 2.014 -6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.724 3.236 -4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.324 2.745 -6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.398 2.086 -4.848 1.00 0.00 H new ATOM 549 N GLN A 35 5.517 -2.902 -6.454 1.00 0.00 N ATOM 550 CA GLN A 35 5.068 -3.873 -7.445 1.00 0.00 C ATOM 551 C GLN A 35 3.599 -4.226 -7.234 1.00 0.00 C ATOM 552 O GLN A 35 2.973 -4.856 -8.087 1.00 0.00 O ATOM 553 CB GLN A 35 5.924 -5.139 -7.374 1.00 0.00 C ATOM 554 CG GLN A 35 5.547 -6.065 -6.228 1.00 0.00 C ATOM 555 CD GLN A 35 4.852 -7.327 -6.701 1.00 0.00 C ATOM 556 OE1 GLN A 35 3.836 -7.738 -6.141 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.398 -7.949 -7.739 1.00 0.00 N ATOM 0 H GLN A 35 6.107 -3.291 -5.719 1.00 0.00 H new ATOM 0 HA GLN A 35 5.177 -3.424 -8.432 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.833 -5.683 -8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.971 -4.854 -7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.446 -6.336 -5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.894 -5.533 -5.536 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.241 -7.573 -8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.974 -8.803 -8.102 1.00 0.00 H new ATOM 566 N LEU A 36 3.056 -3.818 -6.093 1.00 0.00 N ATOM 567 CA LEU A 36 1.660 -4.091 -5.769 1.00 0.00 C ATOM 568 C LEU A 36 0.742 -3.041 -6.387 1.00 0.00 C ATOM 569 O LEU A 36 -0.469 -3.239 -6.483 1.00 0.00 O ATOM 570 CB LEU A 36 1.465 -4.126 -4.252 1.00 0.00 C ATOM 571 CG LEU A 36 2.330 -5.128 -3.487 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.243 -4.874 -1.990 1.00 0.00 C ATOM 573 CD2 LEU A 36 1.908 -6.554 -3.813 1.00 0.00 C ATOM 0 H LEU A 36 3.561 -3.297 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 36 1.400 -5.064 -6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.663 -3.130 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.418 -4.348 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 36 3.366 -4.996 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.865 -5.597 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.593 -3.865 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.208 -4.978 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.534 -7.254 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.865 -6.698 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.022 -6.732 -4.882 1.00 0.00 H new ATOM 585 N VAL A 37 1.328 -1.925 -6.808 1.00 0.00 N ATOM 586 CA VAL A 37 0.564 -0.844 -7.420 1.00 0.00 C ATOM 587 C VAL A 37 1.118 -0.490 -8.796 1.00 0.00 C ATOM 588 O VAL A 37 0.415 0.075 -9.633 1.00 0.00 O ATOM 589 CB VAL A 37 0.566 0.417 -6.537 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.082 0.088 -5.134 1.00 0.00 C ATOM 591 CG2 VAL A 37 1.956 1.036 -6.498 1.00 0.00 C ATOM 0 H VAL A 37 2.330 -1.746 -6.737 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.460 -1.201 -7.525 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.120 1.144 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.091 0.992 -4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.933 -0.307 -5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.741 -0.657 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.940 1.926 -5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.664 0.315 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.261 1.310 -7.508 1.00 0.00 H new ATOM 601 N GLU A 38 2.384 -0.827 -9.022 1.00 0.00 N ATOM 602 CA GLU A 38 3.033 -0.543 -10.296 1.00 0.00 C ATOM 603 C GLU A 38 2.136 -0.942 -11.465 1.00 0.00 C ATOM 604 O GLU A 38 1.741 -0.115 -12.287 1.00 0.00 O ATOM 605 CB GLU A 38 4.370 -1.284 -10.390 1.00 0.00 C ATOM 606 CG GLU A 38 5.573 -0.360 -10.476 1.00 0.00 C ATOM 607 CD GLU A 38 6.371 -0.559 -11.749 1.00 0.00 C ATOM 608 OE1 GLU A 38 7.051 -1.599 -11.866 1.00 0.00 O ATOM 609 OE2 GLU A 38 6.316 0.326 -12.628 1.00 0.00 O ATOM 0 H GLU A 38 2.980 -1.296 -8.340 1.00 0.00 H new ATOM 0 HA GLU A 38 3.215 0.530 -10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.480 -1.930 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.356 -1.931 -11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.236 0.675 -10.421 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.220 -0.531 -9.616 1.00 0.00 H new ATOM 616 N PRO A 39 1.807 -2.240 -11.541 1.00 0.00 N ATOM 617 CA PRO A 39 0.952 -2.779 -12.604 1.00 0.00 C ATOM 618 C PRO A 39 -0.495 -2.318 -12.473 1.00 0.00 C ATOM 619 O PRO A 39 -1.353 -2.702 -13.268 1.00 0.00 O ATOM 620 CB PRO A 39 1.052 -4.293 -12.404 1.00 0.00 C ATOM 621 CG PRO A 39 1.390 -4.465 -10.963 1.00 0.00 C ATOM 622 CD PRO A 39 2.242 -3.282 -10.594 1.00 0.00 C ATOM 0 HA PRO A 39 1.268 -2.444 -13.592 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.113 -4.788 -12.652 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.820 -4.727 -13.045 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.488 -4.502 -10.352 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.926 -5.399 -10.797 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.081 -2.978 -9.560 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.304 -3.503 -10.700 1.00 0.00 H new ATOM 630 N PHE A 40 -0.760 -1.491 -11.467 1.00 0.00 N ATOM 631 CA PHE A 40 -2.105 -0.979 -11.233 1.00 0.00 C ATOM 632 C PHE A 40 -2.206 0.488 -11.641 1.00 0.00 C ATOM 633 O PHE A 40 -3.289 0.986 -11.945 1.00 0.00 O ATOM 634 CB PHE A 40 -2.484 -1.137 -9.760 1.00 0.00 C ATOM 635 CG PHE A 40 -2.641 -2.568 -9.331 1.00 0.00 C ATOM 636 CD1 PHE A 40 -3.865 -3.208 -9.437 1.00 0.00 C ATOM 637 CD2 PHE A 40 -1.562 -3.274 -8.822 1.00 0.00 C ATOM 638 CE1 PHE A 40 -4.012 -4.525 -9.045 1.00 0.00 C ATOM 639 CE2 PHE A 40 -1.703 -4.592 -8.428 1.00 0.00 C ATOM 640 CZ PHE A 40 -2.929 -5.217 -8.538 1.00 0.00 C ATOM 0 H PHE A 40 -0.061 -1.161 -10.801 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.799 -1.557 -11.844 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.720 -0.663 -9.144 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.418 -0.606 -9.574 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.715 -2.671 -9.831 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.601 -2.789 -8.732 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.972 -5.012 -9.135 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.855 -5.132 -8.034 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.041 -6.245 -8.228 1.00 0.00 H new ATOM 650 N GLY A 41 -1.068 1.176 -11.643 1.00 0.00 N ATOM 651 CA GLY A 41 -1.049 2.579 -12.014 1.00 0.00 C ATOM 652 C GLY A 41 0.355 3.151 -12.050 1.00 0.00 C ATOM 653 O GLY A 41 1.325 2.421 -12.252 1.00 0.00 O ATOM 0 H GLY A 41 -0.159 0.786 -11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.512 2.699 -12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.651 3.147 -11.305 1.00 0.00 H new ATOM 657 N VAL A 42 0.463 4.461 -11.853 1.00 0.00 N ATOM 658 CA VAL A 42 1.758 5.131 -11.864 1.00 0.00 C ATOM 659 C VAL A 42 2.200 5.494 -10.452 1.00 0.00 C ATOM 660 O VAL A 42 1.373 5.773 -9.583 1.00 0.00 O ATOM 661 CB VAL A 42 1.721 6.408 -12.724 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.400 7.138 -12.540 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.893 7.315 -12.379 1.00 0.00 C ATOM 0 H VAL A 42 -0.330 5.079 -11.684 1.00 0.00 H new ATOM 0 HA VAL A 42 2.474 4.432 -12.296 1.00 0.00 H new ATOM 0 HB VAL A 42 1.807 6.122 -13.772 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.393 8.038 -13.155 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.421 6.486 -12.840 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.280 7.414 -11.492 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.852 8.213 -12.996 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.839 7.595 -11.327 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.828 6.788 -12.567 1.00 0.00 H new ATOM 673 N ILE A 43 3.511 5.490 -10.228 1.00 0.00 N ATOM 674 CA ILE A 43 4.063 5.822 -8.920 1.00 0.00 C ATOM 675 C ILE A 43 4.387 7.308 -8.822 1.00 0.00 C ATOM 676 O ILE A 43 5.347 7.786 -9.425 1.00 0.00 O ATOM 677 CB ILE A 43 5.337 5.009 -8.625 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.133 3.542 -9.009 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.715 5.130 -7.158 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.168 2.810 -8.103 1.00 0.00 C ATOM 0 H ILE A 43 4.210 5.261 -10.935 1.00 0.00 H new ATOM 0 HA ILE A 43 3.302 5.570 -8.182 1.00 0.00 H new ATOM 0 HB ILE A 43 6.153 5.412 -9.224 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.767 3.491 -10.034 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.096 3.032 -8.989 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.617 4.550 -6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.898 6.177 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.901 4.751 -6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.071 1.776 -8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.543 2.830 -7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.193 3.296 -8.142 1.00 0.00 H new ATOM 692 N SER A 44 3.581 8.035 -8.055 1.00 0.00 N ATOM 693 CA SER A 44 3.780 9.467 -7.877 1.00 0.00 C ATOM 694 C SER A 44 4.778 9.743 -6.756 1.00 0.00 C ATOM 695 O SER A 44 5.607 10.646 -6.856 1.00 0.00 O ATOM 696 CB SER A 44 2.448 10.155 -7.569 1.00 0.00 C ATOM 697 OG SER A 44 2.086 11.051 -8.606 1.00 0.00 O ATOM 0 H SER A 44 2.783 7.654 -7.546 1.00 0.00 H new ATOM 0 HA SER A 44 4.183 9.870 -8.806 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.668 9.404 -7.444 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.524 10.696 -6.626 1.00 0.00 H new ATOM 0 HG SER A 44 1.231 11.477 -8.387 1.00 0.00 H new ATOM 703 N ASN A 45 4.690 8.956 -5.689 1.00 0.00 N ATOM 704 CA ASN A 45 5.586 9.114 -4.547 1.00 0.00 C ATOM 705 C ASN A 45 5.324 8.038 -3.497 1.00 0.00 C ATOM 706 O ASN A 45 4.186 7.837 -3.069 1.00 0.00 O ATOM 707 CB ASN A 45 5.412 10.501 -3.926 1.00 0.00 C ATOM 708 CG ASN A 45 6.478 11.478 -4.385 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.670 11.171 -4.353 1.00 0.00 O ATOM 710 ND2 ASN A 45 6.053 12.660 -4.814 1.00 0.00 N ATOM 0 H ASN A 45 4.009 8.203 -5.590 1.00 0.00 H new ATOM 0 HA ASN A 45 6.611 9.007 -4.903 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.428 10.892 -4.186 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.444 10.416 -2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.724 13.358 -5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.055 12.871 -4.823 1.00 0.00 H new ATOM 717 N HIS A 46 6.384 7.349 -3.088 1.00 0.00 N ATOM 718 CA HIS A 46 6.269 6.294 -2.087 1.00 0.00 C ATOM 719 C HIS A 46 7.043 6.657 -0.823 1.00 0.00 C ATOM 720 O HIS A 46 8.042 7.377 -0.880 1.00 0.00 O ATOM 721 CB HIS A 46 6.783 4.969 -2.651 1.00 0.00 C ATOM 722 CG HIS A 46 8.268 4.931 -2.833 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.927 5.647 -3.810 1.00 0.00 N ATOM 724 CD2 HIS A 46 9.226 4.258 -2.152 1.00 0.00 C ATOM 725 CE1 HIS A 46 10.224 5.415 -3.725 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.432 4.576 -2.726 1.00 0.00 N ATOM 0 H HIS A 46 7.331 7.502 -3.434 1.00 0.00 H new ATOM 0 HA HIS A 46 5.216 6.186 -1.828 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.486 4.160 -1.983 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.303 4.782 -3.611 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.482 6.261 -4.492 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.070 3.595 -1.314 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.985 5.839 -4.363 1.00 0.00 H new ATOM 734 N LEU A 47 6.578 6.155 0.315 1.00 0.00 N ATOM 735 CA LEU A 47 7.226 6.427 1.593 1.00 0.00 C ATOM 736 C LEU A 47 7.366 5.150 2.415 1.00 0.00 C ATOM 737 O LEU A 47 6.386 4.441 2.650 1.00 0.00 O ATOM 738 CB LEU A 47 6.430 7.469 2.380 1.00 0.00 C ATOM 739 CG LEU A 47 6.943 7.785 3.785 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.234 9.006 4.350 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.758 6.586 4.703 1.00 0.00 C ATOM 0 H LEU A 47 5.754 5.557 0.379 1.00 0.00 H new ATOM 0 HA LEU A 47 8.223 6.818 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.413 8.395 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.399 7.125 2.460 1.00 0.00 H new ATOM 0 HG LEU A 47 8.008 8.006 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.612 9.216 5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.419 9.865 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.162 8.814 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.129 6.829 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.699 6.333 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.313 5.736 4.307 1.00 0.00 H new ATOM 753 N ILE A 48 8.587 4.863 2.852 1.00 0.00 N ATOM 754 CA ILE A 48 8.853 3.674 3.651 1.00 0.00 C ATOM 755 C ILE A 48 9.616 4.026 4.923 1.00 0.00 C ATOM 756 O ILE A 48 10.820 4.285 4.888 1.00 0.00 O ATOM 757 CB ILE A 48 9.659 2.630 2.855 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.301 2.702 1.369 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.400 1.233 3.400 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.876 1.565 0.553 1.00 0.00 C ATOM 0 H ILE A 48 9.408 5.438 2.666 1.00 0.00 H new ATOM 0 HA ILE A 48 7.885 3.249 3.917 1.00 0.00 H new ATOM 0 HB ILE A 48 10.721 2.851 2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.216 2.701 1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.660 3.648 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.976 0.506 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.699 1.190 4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.338 1.001 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.582 1.681 -0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.963 1.578 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.497 0.616 0.934 1.00 0.00 H new ATOM 772 N LEU A 49 8.909 4.032 6.047 1.00 0.00 N ATOM 773 CA LEU A 49 9.519 4.350 7.334 1.00 0.00 C ATOM 774 C LEU A 49 10.417 3.212 7.807 1.00 0.00 C ATOM 775 O LEU A 49 10.202 2.052 7.458 1.00 0.00 O ATOM 776 CB LEU A 49 8.438 4.630 8.379 1.00 0.00 C ATOM 777 CG LEU A 49 7.261 5.489 7.914 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.024 5.198 8.750 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.619 6.966 7.986 1.00 0.00 C ATOM 0 H LEU A 49 7.912 3.820 6.094 1.00 0.00 H new ATOM 0 HA LEU A 49 10.131 5.243 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.048 3.676 8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.905 5.121 9.233 1.00 0.00 H new ATOM 0 HG LEU A 49 7.040 5.238 6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.197 5.818 8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.756 4.146 8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.232 5.420 9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.770 7.563 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.866 7.231 9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.477 7.164 7.344 1.00 0.00 H new ATOM 791 N ASN A 50 11.424 3.553 8.606 1.00 0.00 N ATOM 792 CA ASN A 50 12.354 2.558 9.129 1.00 0.00 C ATOM 793 C ASN A 50 11.948 2.118 10.532 1.00 0.00 C ATOM 794 O ASN A 50 12.157 0.969 10.920 1.00 0.00 O ATOM 795 CB ASN A 50 13.776 3.122 9.150 1.00 0.00 C ATOM 796 CG ASN A 50 14.274 3.487 7.766 1.00 0.00 C ATOM 797 OD1 ASN A 50 13.652 3.145 6.760 1.00 0.00 O ATOM 798 ND2 ASN A 50 15.402 4.185 7.708 1.00 0.00 N ATOM 0 H ASN A 50 11.616 4.509 8.905 1.00 0.00 H new ATOM 0 HA ASN A 50 12.324 1.688 8.473 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.804 4.005 9.788 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.449 2.388 9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.786 4.459 6.804 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.884 4.447 8.568 1.00 0.00 H new ATOM 805 N LYS A 51 11.366 3.042 11.291 1.00 0.00 N ATOM 806 CA LYS A 51 10.928 2.751 12.651 1.00 0.00 C ATOM 807 C LYS A 51 10.095 1.473 12.693 1.00 0.00 C ATOM 808 O LYS A 51 10.386 0.557 13.463 1.00 0.00 O ATOM 809 CB LYS A 51 10.114 3.920 13.208 1.00 0.00 C ATOM 810 CG LYS A 51 10.948 5.154 13.509 1.00 0.00 C ATOM 811 CD LYS A 51 10.420 5.901 14.722 1.00 0.00 C ATOM 812 CE LYS A 51 10.193 7.373 14.413 1.00 0.00 C ATOM 813 NZ LYS A 51 11.350 8.212 14.833 1.00 0.00 N ATOM 0 H LYS A 51 11.187 3.999 10.986 1.00 0.00 H new ATOM 0 HA LYS A 51 11.815 2.607 13.268 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.336 4.184 12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.612 3.600 14.121 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.983 4.861 13.683 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.945 5.816 12.643 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.485 5.448 15.051 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.127 5.806 15.546 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.023 7.498 13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.292 7.716 14.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.157 9.208 14.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.497 8.113 15.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.205 7.901 14.329 1.00 0.00 H new ATOM 827 N ILE A 52 9.062 1.418 11.860 1.00 0.00 N ATOM 828 CA ILE A 52 8.190 0.251 11.802 1.00 0.00 C ATOM 829 C ILE A 52 8.049 -0.258 10.371 1.00 0.00 C ATOM 830 O ILE A 52 8.566 0.346 9.433 1.00 0.00 O ATOM 831 CB ILE A 52 6.791 0.565 12.363 1.00 0.00 C ATOM 832 CG1 ILE A 52 5.932 1.250 11.298 1.00 0.00 C ATOM 833 CG2 ILE A 52 6.902 1.437 13.605 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.533 2.535 10.772 1.00 0.00 C ATOM 0 H ILE A 52 8.808 2.167 11.216 1.00 0.00 H new ATOM 0 HA ILE A 52 8.654 -0.521 12.416 1.00 0.00 H new ATOM 0 HB ILE A 52 6.309 -0.372 12.643 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.781 0.562 10.466 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.949 1.463 11.718 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.905 1.650 13.990 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.481 0.914 14.366 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.400 2.372 13.350 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.871 2.966 10.021 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.658 3.241 11.593 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.504 2.325 10.322 1.00 0.00 H new ATOM 846 N ASN A 53 7.343 -1.373 10.212 1.00 0.00 N ATOM 847 CA ASN A 53 7.132 -1.964 8.896 1.00 0.00 C ATOM 848 C ASN A 53 5.886 -1.385 8.234 1.00 0.00 C ATOM 849 O ASN A 53 5.049 -2.122 7.713 1.00 0.00 O ATOM 850 CB ASN A 53 7.004 -3.484 9.011 1.00 0.00 C ATOM 851 CG ASN A 53 8.349 -4.184 8.952 1.00 0.00 C ATOM 852 OD1 ASN A 53 9.384 -3.547 8.757 1.00 0.00 O ATOM 853 ND2 ASN A 53 8.337 -5.501 9.120 1.00 0.00 N ATOM 0 H ASN A 53 6.907 -1.885 10.979 1.00 0.00 H new ATOM 0 HA ASN A 53 7.995 -1.726 8.275 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.508 -3.734 9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.369 -3.854 8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.210 -6.027 9.090 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.454 -5.987 9.279 1.00 0.00 H new ATOM 860 N GLU A 54 5.769 -0.061 8.259 1.00 0.00 N ATOM 861 CA GLU A 54 4.625 0.615 7.660 1.00 0.00 C ATOM 862 C GLU A 54 5.063 1.506 6.502 1.00 0.00 C ATOM 863 O GLU A 54 6.067 2.212 6.592 1.00 0.00 O ATOM 864 CB GLU A 54 3.891 1.452 8.712 1.00 0.00 C ATOM 865 CG GLU A 54 3.030 0.627 9.653 1.00 0.00 C ATOM 866 CD GLU A 54 3.522 -0.801 9.794 1.00 0.00 C ATOM 867 OE1 GLU A 54 3.080 -1.661 9.003 1.00 0.00 O ATOM 868 OE2 GLU A 54 4.347 -1.057 10.694 1.00 0.00 O ATOM 0 H GLU A 54 6.452 0.564 8.687 1.00 0.00 H new ATOM 0 HA GLU A 54 3.948 -0.147 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.623 2.009 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.263 2.185 8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.015 1.101 10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.003 0.619 9.287 1.00 0.00 H new ATOM 875 N ALA A 55 4.303 1.466 5.411 1.00 0.00 N ATOM 876 CA ALA A 55 4.612 2.270 4.235 1.00 0.00 C ATOM 877 C ALA A 55 3.341 2.825 3.601 1.00 0.00 C ATOM 878 O ALA A 55 2.235 2.379 3.910 1.00 0.00 O ATOM 879 CB ALA A 55 5.393 1.445 3.223 1.00 0.00 C ATOM 0 H ALA A 55 3.470 0.885 5.318 1.00 0.00 H new ATOM 0 HA ALA A 55 5.226 3.113 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.617 2.058 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.324 1.102 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.798 0.584 2.919 1.00 0.00 H new ATOM 885 N PHE A 56 3.505 3.799 2.712 1.00 0.00 N ATOM 886 CA PHE A 56 2.370 4.415 2.035 1.00 0.00 C ATOM 887 C PHE A 56 2.770 4.915 0.649 1.00 0.00 C ATOM 888 O PHE A 56 3.680 5.732 0.512 1.00 0.00 O ATOM 889 CB PHE A 56 1.821 5.575 2.868 1.00 0.00 C ATOM 890 CG PHE A 56 1.825 5.306 4.346 1.00 0.00 C ATOM 891 CD1 PHE A 56 0.739 4.699 4.956 1.00 0.00 C ATOM 892 CD2 PHE A 56 2.916 5.658 5.125 1.00 0.00 C ATOM 893 CE1 PHE A 56 0.740 4.452 6.317 1.00 0.00 C ATOM 894 CE2 PHE A 56 2.923 5.412 6.485 1.00 0.00 C ATOM 895 CZ PHE A 56 1.834 4.808 7.081 1.00 0.00 C ATOM 0 H PHE A 56 4.413 4.179 2.444 1.00 0.00 H new ATOM 0 HA PHE A 56 1.593 3.659 1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.413 6.468 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.801 5.791 2.549 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.118 4.416 4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.771 6.130 4.664 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.114 3.981 6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.779 5.692 7.081 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.838 4.614 8.143 1.00 0.00 H new ATOM 905 N ILE A 57 2.083 4.417 -0.373 1.00 0.00 N ATOM 906 CA ILE A 57 2.365 4.813 -1.747 1.00 0.00 C ATOM 907 C ILE A 57 1.284 5.743 -2.284 1.00 0.00 C ATOM 908 O ILE A 57 0.095 5.535 -2.041 1.00 0.00 O ATOM 909 CB ILE A 57 2.478 3.587 -2.674 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.708 2.754 -2.306 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.546 4.027 -4.128 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.607 1.307 -2.731 1.00 0.00 C ATOM 0 H ILE A 57 1.327 3.739 -0.276 1.00 0.00 H new ATOM 0 HA ILE A 57 3.320 5.339 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 57 1.590 2.968 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.589 3.199 -2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.857 2.798 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.626 3.150 -4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.643 4.582 -4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.418 4.664 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.514 0.778 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.745 0.845 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.489 1.253 -3.813 1.00 0.00 H new ATOM 924 N GLU A 58 1.704 6.770 -3.016 1.00 0.00 N ATOM 925 CA GLU A 58 0.771 7.733 -3.589 1.00 0.00 C ATOM 926 C GLU A 58 0.631 7.526 -5.095 1.00 0.00 C ATOM 927 O GLU A 58 1.600 7.652 -5.842 1.00 0.00 O ATOM 928 CB GLU A 58 1.237 9.161 -3.301 1.00 0.00 C ATOM 929 CG GLU A 58 0.186 10.217 -3.607 1.00 0.00 C ATOM 930 CD GLU A 58 0.077 11.264 -2.516 1.00 0.00 C ATOM 931 OE1 GLU A 58 1.105 11.900 -2.200 1.00 0.00 O ATOM 932 OE2 GLU A 58 -1.034 11.447 -1.977 1.00 0.00 O ATOM 0 H GLU A 58 2.685 6.957 -3.226 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.203 7.576 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.522 9.237 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.131 9.368 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.430 10.705 -4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.782 9.733 -3.739 1.00 0.00 H new ATOM 939 N MET A 59 -0.583 7.206 -5.532 1.00 0.00 N ATOM 940 CA MET A 59 -0.851 6.981 -6.947 1.00 0.00 C ATOM 941 C MET A 59 -1.262 8.280 -7.635 1.00 0.00 C ATOM 942 O MET A 59 -1.925 9.127 -7.037 1.00 0.00 O ATOM 943 CB MET A 59 -1.948 5.930 -7.120 1.00 0.00 C ATOM 944 CG MET A 59 -1.579 4.568 -6.554 1.00 0.00 C ATOM 945 SD MET A 59 -0.018 3.944 -7.207 1.00 0.00 S ATOM 946 CE MET A 59 -0.567 3.198 -8.740 1.00 0.00 C ATOM 0 H MET A 59 -1.396 7.097 -4.926 1.00 0.00 H new ATOM 0 HA MET A 59 0.066 6.618 -7.412 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.857 6.282 -6.633 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.175 5.824 -8.181 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.513 4.636 -5.468 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.373 3.857 -6.781 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.278 2.720 -9.235 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.332 2.452 -8.528 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.982 3.968 -9.391 1.00 0.00 H new ATOM 956 N ALA A 60 -0.864 8.429 -8.894 1.00 0.00 N ATOM 957 CA ALA A 60 -1.192 9.623 -9.663 1.00 0.00 C ATOM 958 C ALA A 60 -2.701 9.830 -9.737 1.00 0.00 C ATOM 959 O ALA A 60 -3.179 10.961 -9.834 1.00 0.00 O ATOM 960 CB ALA A 60 -0.601 9.528 -11.063 1.00 0.00 C ATOM 0 H ALA A 60 -0.314 7.737 -9.403 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.758 10.484 -9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.854 10.426 -11.626 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.483 9.435 -10.995 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.009 8.654 -11.571 1.00 0.00 H new ATOM 966 N THR A 61 -3.448 8.732 -9.691 1.00 0.00 N ATOM 967 CA THR A 61 -4.903 8.792 -9.753 1.00 0.00 C ATOM 968 C THR A 61 -5.537 7.738 -8.855 1.00 0.00 C ATOM 969 O THR A 61 -5.163 6.565 -8.895 1.00 0.00 O ATOM 970 CB THR A 61 -5.411 8.596 -11.195 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.990 7.321 -11.693 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.894 9.699 -12.106 1.00 0.00 C ATOM 0 H THR A 61 -3.069 7.789 -9.611 1.00 0.00 H new ATOM 0 HA THR A 61 -5.194 9.783 -9.404 1.00 0.00 H new ATOM 0 HB THR A 61 -6.500 8.639 -11.182 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.218 7.007 -11.177 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.266 9.539 -13.118 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.241 10.665 -11.740 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.804 9.684 -12.113 1.00 0.00 H new ATOM 980 N THR A 62 -6.502 8.161 -8.044 1.00 0.00 N ATOM 981 CA THR A 62 -7.188 7.252 -7.134 1.00 0.00 C ATOM 982 C THR A 62 -7.620 5.978 -7.851 1.00 0.00 C ATOM 983 O THR A 62 -7.659 4.902 -7.254 1.00 0.00 O ATOM 984 CB THR A 62 -8.426 7.918 -6.504 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.125 6.975 -5.685 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.359 8.453 -7.579 1.00 0.00 C ATOM 0 H THR A 62 -6.826 9.127 -7.999 1.00 0.00 H new ATOM 0 HA THR A 62 -6.479 6.999 -6.346 1.00 0.00 H new ATOM 0 HB THR A 62 -8.089 8.753 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.572 7.447 -4.952 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.226 8.919 -7.110 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.832 9.192 -8.183 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.689 7.632 -8.216 1.00 0.00 H new ATOM 994 N GLU A 63 -7.941 6.107 -9.135 1.00 0.00 N ATOM 995 CA GLU A 63 -8.371 4.963 -9.932 1.00 0.00 C ATOM 996 C GLU A 63 -7.399 3.797 -9.777 1.00 0.00 C ATOM 997 O GLU A 63 -7.802 2.633 -9.795 1.00 0.00 O ATOM 998 CB GLU A 63 -8.482 5.356 -11.407 1.00 0.00 C ATOM 999 CG GLU A 63 -9.724 6.172 -11.727 1.00 0.00 C ATOM 1000 CD GLU A 63 -9.959 6.314 -13.218 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -9.446 7.286 -13.811 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -10.657 5.451 -13.792 1.00 0.00 O ATOM 0 H GLU A 63 -7.912 6.990 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.350 4.648 -9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.598 5.928 -11.689 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.484 4.452 -12.016 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.593 5.699 -11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.628 7.162 -11.282 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.119 4.117 -9.626 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.089 3.096 -9.467 1.00 0.00 C ATOM 1011 C ASP A 64 -5.099 2.530 -8.050 1.00 0.00 C ATOM 1012 O ASP A 64 -5.392 1.352 -7.845 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.711 3.678 -9.786 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.662 4.333 -11.153 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.378 3.863 -12.062 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.908 5.316 -11.313 1.00 0.00 O ATOM 0 H ASP A 64 -5.769 5.075 -9.610 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.304 2.286 -10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.444 4.411 -9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.965 2.885 -9.739 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.777 3.376 -7.077 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.750 2.960 -5.681 1.00 0.00 C ATOM 1023 C ALA A 65 -5.971 2.114 -5.336 1.00 0.00 C ATOM 1024 O ALA A 65 -5.855 1.075 -4.687 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.674 4.175 -4.769 1.00 0.00 C ATOM 0 H ALA A 65 -4.531 4.354 -7.230 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.861 2.348 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.655 3.849 -3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.768 4.739 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.545 4.809 -4.934 1.00 0.00 H new ATOM 1031 N GLN A 66 -7.142 2.566 -5.775 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.384 1.851 -5.511 1.00 0.00 C ATOM 1033 C GLN A 66 -8.327 0.434 -6.076 1.00 0.00 C ATOM 1034 O GLN A 66 -8.840 -0.507 -5.471 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.571 2.605 -6.114 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.941 3.866 -5.349 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.359 4.322 -5.628 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.297 3.525 -5.602 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.524 5.612 -5.897 1.00 0.00 N ATOM 0 H GLN A 66 -7.256 3.424 -6.315 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.514 1.788 -4.431 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.337 2.871 -7.145 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.435 1.941 -6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.825 3.685 -4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.248 4.664 -5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.719 6.238 -5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.456 5.977 -6.092 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.702 0.292 -7.241 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.578 -1.009 -7.886 1.00 0.00 C ATOM 1050 C ALA A 67 -6.643 -1.924 -7.101 1.00 0.00 C ATOM 1051 O ALA A 67 -6.971 -3.079 -6.833 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.081 -0.844 -9.314 1.00 0.00 C ATOM 0 H ALA A 67 -7.274 1.061 -7.756 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.564 -1.472 -7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.993 -1.823 -9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.787 -0.234 -9.877 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.106 -0.356 -9.306 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.478 -1.399 -6.736 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.497 -2.169 -5.981 1.00 0.00 C ATOM 1060 C ALA A 68 -5.145 -2.869 -4.791 1.00 0.00 C ATOM 1061 O ALA A 68 -4.885 -4.043 -4.533 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.366 -1.266 -5.512 1.00 0.00 C ATOM 0 H ALA A 68 -5.191 -0.444 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.088 -2.935 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.641 -1.854 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.877 -0.817 -6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.769 -0.480 -4.874 1.00 0.00 H new ATOM 1068 N VAL A 69 -5.991 -2.139 -4.070 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.678 -2.690 -2.909 1.00 0.00 C ATOM 1070 C VAL A 69 -7.606 -3.831 -3.308 1.00 0.00 C ATOM 1071 O VAL A 69 -7.664 -4.863 -2.638 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.496 -1.610 -2.175 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.375 -2.241 -1.106 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.574 -0.564 -1.570 1.00 0.00 C ATOM 0 H VAL A 69 -6.216 -1.165 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.908 -3.071 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.144 -1.115 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.945 -1.463 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.061 -2.949 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.749 -2.763 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.168 0.191 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.899 -1.041 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.992 -0.091 -2.361 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.331 -3.640 -4.405 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.256 -4.654 -4.896 1.00 0.00 C ATOM 1086 C ASP A 70 -8.520 -5.950 -5.222 1.00 0.00 C ATOM 1087 O ASP A 70 -9.139 -6.999 -5.402 1.00 0.00 O ATOM 1088 CB ASP A 70 -9.991 -4.147 -6.138 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.431 -4.617 -6.192 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.053 -4.745 -5.116 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -11.936 -4.858 -7.308 1.00 0.00 O ATOM 0 H ASP A 70 -8.296 -2.792 -4.971 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.983 -4.857 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.967 -3.057 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.467 -4.488 -7.031 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.196 -5.870 -5.295 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.376 -7.035 -5.603 1.00 0.00 C ATOM 1098 C TYR A 71 -6.029 -7.807 -4.333 1.00 0.00 C ATOM 1099 O TYR A 71 -5.685 -8.988 -4.385 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.093 -6.608 -6.319 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.270 -7.769 -6.831 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -4.699 -8.526 -7.914 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.063 -8.107 -6.233 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -3.950 -9.588 -8.384 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.307 -9.166 -6.697 1.00 0.00 C ATOM 1106 CZ TYR A 71 -2.756 -9.904 -7.773 1.00 0.00 C ATOM 1107 OH TYR A 71 -2.006 -10.959 -8.239 1.00 0.00 O ATOM 0 H TYR A 71 -6.668 -5.010 -5.145 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.950 -7.688 -6.260 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.353 -5.960 -7.156 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.485 -6.016 -5.635 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.633 -8.280 -8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.709 -7.532 -5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.299 -10.167 -9.226 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.370 -9.415 -6.221 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.193 -11.047 -7.698 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.122 -7.130 -3.194 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.817 -7.750 -1.910 1.00 0.00 C ATOM 1119 C TYR A 72 -7.056 -8.411 -1.316 1.00 0.00 C ATOM 1120 O TYR A 72 -6.957 -9.284 -0.451 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.265 -6.709 -0.935 1.00 0.00 C ATOM 1122 CG TYR A 72 -6.113 -6.528 0.303 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -7.449 -6.161 0.205 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -5.578 -6.722 1.570 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -8.229 -5.994 1.334 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -6.350 -6.560 2.704 1.00 0.00 C ATOM 1127 CZ TYR A 72 -7.675 -6.194 2.581 1.00 0.00 C ATOM 1128 OH TYR A 72 -8.446 -6.030 3.708 1.00 0.00 O ATOM 0 H TYR A 72 -6.406 -6.152 -3.134 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.062 -8.518 -2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.259 -7.002 -0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.179 -5.752 -1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.886 -6.003 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.540 -7.004 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -9.266 -5.709 1.240 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.919 -6.719 3.681 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.904 -6.210 4.504 1.00 0.00 H new ATOM 1138 N THR A 73 -8.226 -7.991 -1.787 1.00 0.00 N ATOM 1139 CA THR A 73 -9.487 -8.541 -1.303 1.00 0.00 C ATOM 1140 C THR A 73 -9.859 -9.811 -2.059 1.00 0.00 C ATOM 1141 O THR A 73 -10.457 -10.729 -1.498 1.00 0.00 O ATOM 1142 CB THR A 73 -10.633 -7.521 -1.439 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.707 -7.871 -0.558 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.143 -7.466 -2.872 1.00 0.00 C ATOM 0 H THR A 73 -8.327 -7.272 -2.503 1.00 0.00 H new ATOM 0 HA THR A 73 -9.345 -8.778 -0.249 1.00 0.00 H new ATOM 0 HB THR A 73 -10.248 -6.537 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.431 -7.217 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.952 -6.739 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.331 -7.171 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.512 -8.449 -3.165 1.00 0.00 H new ATOM 1152 N THR A 74 -9.501 -9.858 -3.340 1.00 0.00 N ATOM 1153 CA THR A 74 -9.798 -11.015 -4.174 1.00 0.00 C ATOM 1154 C THR A 74 -8.592 -11.942 -4.279 1.00 0.00 C ATOM 1155 O THR A 74 -8.685 -13.041 -4.826 1.00 0.00 O ATOM 1156 CB THR A 74 -10.229 -10.590 -5.590 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.275 -9.675 -6.140 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.605 -9.942 -5.566 1.00 0.00 C ATOM 0 H THR A 74 -9.005 -9.108 -3.821 1.00 0.00 H new ATOM 0 HA THR A 74 -10.620 -11.547 -3.696 1.00 0.00 H new ATOM 0 HB THR A 74 -10.276 -11.483 -6.214 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.405 -8.789 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.888 -9.650 -6.578 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.335 -10.652 -5.176 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.580 -9.059 -4.927 1.00 0.00 H new ATOM 1166 N THR A 75 -7.458 -11.492 -3.749 1.00 0.00 N ATOM 1167 CA THR A 75 -6.233 -12.280 -3.783 1.00 0.00 C ATOM 1168 C THR A 75 -5.301 -11.898 -2.640 1.00 0.00 C ATOM 1169 O THR A 75 -5.138 -10.724 -2.306 1.00 0.00 O ATOM 1170 CB THR A 75 -5.488 -12.103 -5.120 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.305 -12.565 -6.201 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.172 -12.865 -5.110 1.00 0.00 C ATOM 0 H THR A 75 -7.364 -10.585 -3.291 1.00 0.00 H new ATOM 0 HA THR A 75 -6.526 -13.324 -3.675 1.00 0.00 H new ATOM 0 HB THR A 75 -5.275 -11.043 -5.255 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.825 -12.448 -7.047 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.664 -12.725 -6.064 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.541 -12.490 -4.304 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.367 -13.926 -4.955 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.673 -12.910 -2.024 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.744 -12.703 -0.907 1.00 0.00 C ATOM 1182 C PRO A 76 -2.446 -12.037 -1.350 1.00 0.00 C ATOM 1183 O PRO A 76 -1.740 -12.548 -2.219 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.473 -14.123 -0.404 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.721 -14.997 -1.585 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.819 -14.333 -2.368 1.00 0.00 C ATOM 0 HA PRO A 76 -4.159 -12.040 -0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.450 -14.227 -0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.131 -14.382 0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.820 -15.102 -2.189 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.015 -15.999 -1.274 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.706 -14.501 -3.439 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.800 -14.715 -2.087 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.136 -10.894 -0.746 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.921 -10.160 -1.076 1.00 0.00 C ATOM 1196 C ALA A 77 0.254 -10.637 -0.231 1.00 0.00 C ATOM 1197 O ALA A 77 0.512 -10.106 0.850 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.139 -8.667 -0.885 1.00 0.00 C ATOM 0 H ALA A 77 -2.710 -10.457 -0.025 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.683 -10.350 -2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.224 -8.131 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.946 -8.331 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.404 -8.468 0.153 1.00 0.00 H new ATOM 1204 N LEU A 78 0.967 -11.642 -0.729 1.00 0.00 N ATOM 1205 CA LEU A 78 2.117 -12.191 -0.020 1.00 0.00 C ATOM 1206 C LEU A 78 3.393 -11.445 -0.392 1.00 0.00 C ATOM 1207 O LEU A 78 3.909 -11.588 -1.500 1.00 0.00 O ATOM 1208 CB LEU A 78 2.272 -13.680 -0.336 1.00 0.00 C ATOM 1209 CG LEU A 78 1.145 -14.591 0.149 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.489 -16.050 -0.104 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.867 -14.356 1.626 1.00 0.00 C ATOM 0 H LEU A 78 0.768 -12.093 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 78 1.946 -12.069 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.364 -13.794 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.207 -14.028 0.102 1.00 0.00 H new ATOM 0 HG LEU A 78 0.243 -14.350 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.674 -16.682 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.636 -16.209 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.404 -16.306 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.062 -15.013 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.767 -14.568 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.573 -13.318 1.780 1.00 0.00 H new ATOM 1223 N VAL A 79 3.901 -10.648 0.544 1.00 0.00 N ATOM 1224 CA VAL A 79 5.119 -9.882 0.316 1.00 0.00 C ATOM 1225 C VAL A 79 6.349 -10.650 0.788 1.00 0.00 C ATOM 1226 O VAL A 79 6.448 -11.028 1.955 1.00 0.00 O ATOM 1227 CB VAL A 79 5.070 -8.522 1.038 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.364 -7.753 0.819 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.873 -7.711 0.565 1.00 0.00 C ATOM 0 H VAL A 79 3.487 -10.517 1.467 1.00 0.00 H new ATOM 0 HA VAL A 79 5.189 -9.713 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 79 4.959 -8.702 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.310 -6.795 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.201 -8.331 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.509 -7.581 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.854 -6.753 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.951 -7.539 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.955 -8.259 0.779 1.00 0.00 H new ATOM 1239 N PHE A 80 7.285 -10.878 -0.129 1.00 0.00 N ATOM 1240 CA PHE A 80 8.508 -11.603 0.192 1.00 0.00 C ATOM 1241 C PHE A 80 8.201 -13.050 0.565 1.00 0.00 C ATOM 1242 O PHE A 80 9.087 -13.799 0.976 1.00 0.00 O ATOM 1243 CB PHE A 80 9.247 -10.914 1.342 1.00 0.00 C ATOM 1244 CG PHE A 80 10.324 -9.973 0.883 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.206 -10.344 -0.119 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.455 -8.717 1.453 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.199 -9.481 -0.543 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.446 -7.849 1.034 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.318 -8.231 0.033 1.00 0.00 C ATOM 0 H PHE A 80 7.219 -10.571 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 80 9.144 -11.602 -0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.527 -10.363 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.690 -11.674 1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.117 -11.319 -0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.774 -8.412 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.881 -9.784 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.538 -6.874 1.489 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.091 -7.554 -0.299 1.00 0.00 H new ATOM 1259 N GLY A 81 6.938 -13.437 0.420 1.00 0.00 N ATOM 1260 CA GLY A 81 6.536 -14.794 0.746 1.00 0.00 C ATOM 1261 C GLY A 81 5.558 -14.845 1.904 1.00 0.00 C ATOM 1262 O GLY A 81 4.891 -15.857 2.118 1.00 0.00 O ATOM 0 H GLY A 81 6.186 -12.836 0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.081 -15.256 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.420 -15.382 0.994 1.00 0.00 H new ATOM 1266 N LYS A 82 5.474 -13.752 2.655 1.00 0.00 N ATOM 1267 CA LYS A 82 4.572 -13.675 3.798 1.00 0.00 C ATOM 1268 C LYS A 82 3.380 -12.774 3.491 1.00 0.00 C ATOM 1269 O LYS A 82 3.468 -11.836 2.698 1.00 0.00 O ATOM 1270 CB LYS A 82 5.318 -13.152 5.027 1.00 0.00 C ATOM 1271 CG LYS A 82 6.007 -11.819 4.799 1.00 0.00 C ATOM 1272 CD LYS A 82 7.484 -12.000 4.490 1.00 0.00 C ATOM 1273 CE LYS A 82 8.228 -10.674 4.534 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.678 -10.842 4.237 1.00 0.00 N ATOM 0 H LYS A 82 6.020 -12.906 2.492 1.00 0.00 H new ATOM 0 HA LYS A 82 4.201 -14.679 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.614 -13.051 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.062 -13.889 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.524 -11.295 3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.894 -11.194 5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.925 -12.690 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.598 -12.450 3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.787 -9.986 3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.109 -10.223 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.233 -10.643 5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.858 -11.818 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.957 -10.182 3.483 1.00 0.00 H new ATOM 1288 N PRO A 83 2.239 -13.061 4.134 1.00 0.00 N ATOM 1289 CA PRO A 83 1.008 -12.286 3.947 1.00 0.00 C ATOM 1290 C PRO A 83 1.109 -10.887 4.545 1.00 0.00 C ATOM 1291 O PRO A 83 1.818 -10.670 5.528 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.046 -13.110 4.690 1.00 0.00 C ATOM 1293 CG PRO A 83 0.721 -13.876 5.712 1.00 0.00 C ATOM 1294 CD PRO A 83 2.062 -14.164 5.093 1.00 0.00 C ATOM 0 HA PRO A 83 0.781 -12.129 2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.794 -12.468 5.156 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.577 -13.778 4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.831 -13.300 6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.206 -14.800 5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.855 -14.178 5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.075 -15.134 4.596 1.00 0.00 H new ATOM 1302 N VAL A 84 0.392 -9.940 3.947 1.00 0.00 N ATOM 1303 CA VAL A 84 0.398 -8.562 4.422 1.00 0.00 C ATOM 1304 C VAL A 84 -0.997 -7.951 4.356 1.00 0.00 C ATOM 1305 O VAL A 84 -1.979 -8.649 4.103 1.00 0.00 O ATOM 1306 CB VAL A 84 1.368 -7.690 3.602 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.771 -8.277 3.635 1.00 0.00 C ATOM 1308 CG2 VAL A 84 0.875 -7.547 2.170 1.00 0.00 C ATOM 0 H VAL A 84 -0.200 -10.103 3.133 1.00 0.00 H new ATOM 0 HA VAL A 84 0.731 -8.587 5.459 1.00 0.00 H new ATOM 0 HB VAL A 84 1.404 -6.697 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.442 -7.648 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.122 -8.323 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.755 -9.282 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.572 -6.928 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.808 -8.532 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.109 -7.078 2.169 1.00 0.00 H new ATOM 1318 N ARG A 85 -1.076 -6.644 4.584 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.352 -5.939 4.551 1.00 0.00 C ATOM 1320 C ARG A 85 -2.297 -4.762 3.581 1.00 0.00 C ATOM 1321 O ARG A 85 -1.244 -4.156 3.382 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.721 -5.443 5.950 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.407 -6.494 6.807 1.00 0.00 C ATOM 1324 CD ARG A 85 -4.918 -6.457 6.632 1.00 0.00 C ATOM 1325 NE ARG A 85 -5.452 -7.749 6.211 1.00 0.00 N ATOM 1326 CZ ARG A 85 -6.723 -8.103 6.364 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -7.585 -7.266 6.924 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -7.134 -9.297 5.954 1.00 0.00 N ATOM 0 H ARG A 85 -0.272 -6.052 4.793 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.116 -6.637 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.817 -5.106 6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.376 -4.577 5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.033 -7.483 6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -3.157 -6.330 7.855 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.385 -6.161 7.572 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.179 -5.699 5.894 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.815 -8.416 5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.273 -6.347 7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.560 -7.541 7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.474 -9.943 5.521 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.110 -9.568 6.072 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.439 -4.445 2.978 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.521 -3.341 2.029 1.00 0.00 C ATOM 1344 C VAL A 86 -4.823 -2.565 2.201 1.00 0.00 C ATOM 1345 O VAL A 86 -5.911 -3.106 2.004 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.423 -3.842 0.576 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.630 -2.693 -0.399 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -2.083 -4.520 0.337 1.00 0.00 C ATOM 0 H VAL A 86 -4.319 -4.937 3.130 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.678 -2.682 2.236 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.211 -4.576 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.557 -3.065 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.616 -2.255 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.865 -1.934 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.030 -4.868 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.278 -3.809 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.979 -5.369 1.012 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.702 -1.293 2.568 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.870 -0.441 2.764 1.00 0.00 C ATOM 1360 C HIS A 87 -5.755 0.838 1.941 1.00 0.00 C ATOM 1361 O HIS A 87 -4.658 1.242 1.552 1.00 0.00 O ATOM 1362 CB HIS A 87 -6.031 -0.095 4.245 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.149 -1.296 5.132 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.756 -1.297 6.453 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.620 -2.540 4.880 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.978 -2.489 6.976 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.504 -3.262 6.043 1.00 0.00 N ATOM 0 H HIS A 87 -3.809 -0.830 2.735 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.750 -0.990 2.428 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.176 0.500 4.565 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.917 0.527 4.370 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.013 -2.898 3.940 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.766 -2.782 7.994 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.779 -4.236 6.166 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.893 1.470 1.676 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.919 2.703 0.898 1.00 0.00 C ATOM 1377 C LEU A 88 -7.128 3.914 1.802 1.00 0.00 C ATOM 1378 O LEU A 88 -8.256 4.234 2.176 1.00 0.00 O ATOM 1379 CB LEU A 88 -8.028 2.641 -0.155 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.714 3.297 -1.500 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.833 4.810 -1.397 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.324 2.900 -1.975 1.00 0.00 C ATOM 0 H LEU A 88 -7.809 1.149 1.988 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.956 2.808 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.275 1.594 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.920 3.113 0.257 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.441 2.946 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.606 5.259 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.848 5.076 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.130 5.180 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.117 3.376 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.584 3.222 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.274 1.817 -2.089 1.00 0.00 H new ATOM 1394 N SER A 89 -6.033 4.584 2.147 1.00 0.00 N ATOM 1395 CA SER A 89 -6.096 5.759 3.008 1.00 0.00 C ATOM 1396 C SER A 89 -5.921 7.038 2.195 1.00 0.00 C ATOM 1397 O SER A 89 -5.879 7.004 0.966 1.00 0.00 O ATOM 1398 CB SER A 89 -5.020 5.680 4.093 1.00 0.00 C ATOM 1399 OG SER A 89 -5.487 4.963 5.223 1.00 0.00 O ATOM 0 H SER A 89 -5.092 4.333 1.844 1.00 0.00 H new ATOM 0 HA SER A 89 -7.078 5.781 3.480 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.130 5.194 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.727 6.686 4.393 1.00 0.00 H new ATOM 0 HG SER A 89 -4.781 4.925 5.901 1.00 0.00 H new ATOM 1405 N GLN A 90 -5.820 8.165 2.892 1.00 0.00 N ATOM 1406 CA GLN A 90 -5.650 9.457 2.236 1.00 0.00 C ATOM 1407 C GLN A 90 -5.023 10.472 3.186 1.00 0.00 C ATOM 1408 O GLN A 90 -5.686 11.404 3.641 1.00 0.00 O ATOM 1409 CB GLN A 90 -6.998 9.977 1.733 1.00 0.00 C ATOM 1410 CG GLN A 90 -8.174 9.562 2.602 1.00 0.00 C ATOM 1411 CD GLN A 90 -8.743 8.212 2.210 1.00 0.00 C ATOM 1412 OE1 GLN A 90 -8.892 7.909 1.026 1.00 0.00 O ATOM 1413 NE2 GLN A 90 -9.063 7.393 3.205 1.00 0.00 N ATOM 0 H GLN A 90 -5.853 8.210 3.910 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.980 9.320 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.962 11.065 1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.162 9.615 0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.857 9.529 3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.957 10.317 2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.922 7.686 4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.449 6.471 3.002 1.00 0.00 H new ATOM 1422 N LYS A 91 -3.741 10.283 3.482 1.00 0.00 N ATOM 1423 CA LYS A 91 -3.023 11.183 4.377 1.00 0.00 C ATOM 1424 C LYS A 91 -1.750 11.704 3.716 1.00 0.00 C ATOM 1425 O LYS A 91 -1.519 11.480 2.528 1.00 0.00 O ATOM 1426 CB LYS A 91 -2.675 10.464 5.683 1.00 0.00 C ATOM 1427 CG LYS A 91 -1.604 9.399 5.525 1.00 0.00 C ATOM 1428 CD LYS A 91 -1.482 8.541 6.773 1.00 0.00 C ATOM 1429 CE LYS A 91 -2.415 7.341 6.719 1.00 0.00 C ATOM 1430 NZ LYS A 91 -2.084 6.432 5.588 1.00 0.00 N ATOM 0 H LYS A 91 -3.179 9.515 3.115 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.671 12.031 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.339 11.199 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.577 10.003 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.842 8.767 4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.646 9.874 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.453 8.198 6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.712 9.142 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.353 6.790 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.444 7.685 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.503 5.496 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.466 6.825 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.051 6.339 5.508 1.00 0.00 H new ATOM 1444 N TYR A 92 -0.929 12.401 4.495 1.00 0.00 N ATOM 1445 CA TYR A 92 0.320 12.955 3.984 1.00 0.00 C ATOM 1446 C TYR A 92 0.054 13.961 2.869 1.00 0.00 C ATOM 1447 O TYR A 92 0.168 13.641 1.686 1.00 0.00 O ATOM 1448 CB TYR A 92 1.227 11.835 3.471 1.00 0.00 C ATOM 1449 CG TYR A 92 2.027 11.156 4.560 1.00 0.00 C ATOM 1450 CD1 TYR A 92 2.868 11.889 5.390 1.00 0.00 C ATOM 1451 CD2 TYR A 92 1.943 9.784 4.757 1.00 0.00 C ATOM 1452 CE1 TYR A 92 3.600 11.272 6.386 1.00 0.00 C ATOM 1453 CE2 TYR A 92 2.671 9.160 5.752 1.00 0.00 C ATOM 1454 CZ TYR A 92 3.499 9.908 6.563 1.00 0.00 C ATOM 1455 OH TYR A 92 4.227 9.290 7.554 1.00 0.00 O ATOM 0 H TYR A 92 -1.105 12.595 5.481 1.00 0.00 H new ATOM 0 HA TYR A 92 0.820 13.472 4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.617 11.089 2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.913 12.245 2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 92 2.950 12.957 5.254 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.298 9.195 4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 92 4.248 11.855 7.023 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.592 8.092 5.894 1.00 0.00 H new ATOM 0 HH TYR A 92 4.041 8.328 7.545 1.00 0.00 H new ATOM 1465 N LYS A 93 -0.302 15.182 3.256 1.00 0.00 N ATOM 1466 CA LYS A 93 -0.584 16.238 2.291 1.00 0.00 C ATOM 1467 C LYS A 93 0.400 16.188 1.126 1.00 0.00 C ATOM 1468 O LYS A 93 -0.002 16.130 -0.036 1.00 0.00 O ATOM 1469 CB LYS A 93 -0.517 17.609 2.970 1.00 0.00 C ATOM 1470 CG LYS A 93 -1.879 18.169 3.344 1.00 0.00 C ATOM 1471 CD LYS A 93 -2.375 19.163 2.308 1.00 0.00 C ATOM 1472 CE LYS A 93 -3.062 20.353 2.962 1.00 0.00 C ATOM 1473 NZ LYS A 93 -2.087 21.258 3.630 1.00 0.00 N ATOM 0 H LYS A 93 -0.402 15.464 4.231 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.590 16.080 1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.094 17.530 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.015 18.311 2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.595 17.353 3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.819 18.656 4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.536 19.512 1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.070 18.667 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.618 20.911 2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.787 19.997 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.554 22.156 3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.735 20.808 4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.289 21.443 2.989 1.00 0.00 H new ATOM 1487 N ARG A 94 1.690 16.210 1.446 1.00 0.00 N ATOM 1488 CA ARG A 94 2.731 16.167 0.426 1.00 0.00 C ATOM 1489 C ARG A 94 3.911 15.318 0.890 1.00 0.00 C ATOM 1490 O ARG A 94 4.791 15.797 1.605 1.00 0.00 O ATOM 1491 CB ARG A 94 3.207 17.582 0.092 1.00 0.00 C ATOM 1492 CG ARG A 94 3.854 17.699 -1.277 1.00 0.00 C ATOM 1493 CD ARG A 94 2.813 17.773 -2.382 1.00 0.00 C ATOM 1494 NE ARG A 94 3.280 18.552 -3.526 1.00 0.00 N ATOM 1495 CZ ARG A 94 2.475 19.028 -4.468 1.00 0.00 C ATOM 1496 NH1 ARG A 94 1.170 18.808 -4.404 1.00 0.00 N ATOM 1497 NH2 ARG A 94 2.976 19.729 -5.478 1.00 0.00 N ATOM 0 H ARG A 94 2.039 16.257 2.403 1.00 0.00 H new ATOM 0 HA ARG A 94 2.308 15.713 -0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.358 18.263 0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.920 17.905 0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.483 18.589 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.506 16.842 -1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.560 16.765 -2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.899 18.219 -1.989 1.00 0.00 H new ATOM 0 HE ARG A 94 4.279 18.740 -3.605 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.781 18.271 -3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.555 19.175 -5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.980 19.902 -5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.357 20.095 -6.202 1.00 0.00 H new ATOM 1511 N ILE A 95 3.923 14.055 0.478 1.00 0.00 N ATOM 1512 CA ILE A 95 4.994 13.139 0.850 1.00 0.00 C ATOM 1513 C ILE A 95 6.359 13.711 0.478 1.00 0.00 C ATOM 1514 O ILE A 95 7.271 13.755 1.303 1.00 0.00 O ATOM 1515 CB ILE A 95 4.824 11.767 0.173 1.00 0.00 C ATOM 1516 CG1 ILE A 95 3.560 11.074 0.687 1.00 0.00 C ATOM 1517 CG2 ILE A 95 6.049 10.899 0.420 1.00 0.00 C ATOM 1518 CD1 ILE A 95 3.274 9.755 0.005 1.00 0.00 C ATOM 0 H ILE A 95 3.202 13.642 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 95 4.937 13.010 1.931 1.00 0.00 H new ATOM 0 HB ILE A 95 4.721 11.918 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.658 10.905 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.708 11.739 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.914 9.932 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.932 11.390 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.181 10.752 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.364 9.321 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.143 9.919 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.108 9.073 0.168 1.00 0.00 H new ATOM 1530 N LYS A 96 6.491 14.149 -0.770 1.00 0.00 N ATOM 1531 CA LYS A 96 7.741 14.721 -1.251 1.00 0.00 C ATOM 1532 C LYS A 96 7.641 16.240 -1.357 1.00 0.00 C ATOM 1533 O LYS A 96 6.860 16.765 -2.149 1.00 0.00 O ATOM 1534 CB LYS A 96 8.107 14.127 -2.614 1.00 0.00 C ATOM 1535 CG LYS A 96 9.573 13.750 -2.741 1.00 0.00 C ATOM 1536 CD LYS A 96 10.132 14.139 -4.099 1.00 0.00 C ATOM 1537 CE LYS A 96 11.578 14.601 -3.995 1.00 0.00 C ATOM 1538 NZ LYS A 96 11.791 15.913 -4.665 1.00 0.00 N ATOM 0 H LYS A 96 5.746 14.118 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 96 8.523 14.476 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.496 13.241 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.857 14.847 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.146 14.243 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.688 12.676 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.069 13.288 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.525 14.935 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.859 14.680 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.231 13.853 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.788 16.193 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.547 15.832 -5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.187 16.633 -4.219 1.00 0.00 H new ATOM 1552 N SER A 97 8.437 16.938 -0.555 1.00 0.00 N ATOM 1553 CA SER A 97 8.436 18.396 -0.557 1.00 0.00 C ATOM 1554 C SER A 97 9.692 18.939 -1.232 1.00 0.00 C ATOM 1555 O SER A 97 10.739 18.294 -1.233 1.00 0.00 O ATOM 1556 CB SER A 97 8.341 18.930 0.874 1.00 0.00 C ATOM 1557 OG SER A 97 6.997 18.962 1.318 1.00 0.00 O ATOM 0 H SER A 97 9.091 16.518 0.105 1.00 0.00 H new ATOM 0 HA SER A 97 7.566 18.733 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.932 18.302 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.767 19.932 0.920 1.00 0.00 H new ATOM 0 HG SER A 97 6.964 19.305 2.235 1.00 0.00 H new ATOM 1563 N GLY A 98 9.578 20.134 -1.806 1.00 0.00 N ATOM 1564 CA GLY A 98 10.711 20.746 -2.477 1.00 0.00 C ATOM 1565 C GLY A 98 11.801 21.163 -1.510 1.00 0.00 C ATOM 1566 O GLY A 98 11.667 21.028 -0.295 1.00 0.00 O ATOM 0 H GLY A 98 8.722 20.688 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.122 20.044 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.371 21.619 -3.035 1.00 0.00 H new ATOM 1570 N PRO A 99 12.911 21.683 -2.054 1.00 0.00 N ATOM 1571 CA PRO A 99 14.051 22.132 -1.249 1.00 0.00 C ATOM 1572 C PRO A 99 13.736 23.390 -0.448 1.00 0.00 C ATOM 1573 O PRO A 99 12.959 24.238 -0.886 1.00 0.00 O ATOM 1574 CB PRO A 99 15.133 22.420 -2.294 1.00 0.00 C ATOM 1575 CG PRO A 99 14.380 22.723 -3.543 1.00 0.00 C ATOM 1576 CD PRO A 99 13.139 21.874 -3.496 1.00 0.00 C ATOM 0 HA PRO A 99 14.343 21.389 -0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.759 23.261 -1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 99 15.793 21.563 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 99 14.126 23.782 -3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 99 14.978 22.492 -4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 99 12.294 22.370 -3.974 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.283 20.923 -4.010 1.00 0.00 H new ATOM 1584 N SER A 100 14.345 23.506 0.728 1.00 0.00 N ATOM 1585 CA SER A 100 14.125 24.660 1.592 1.00 0.00 C ATOM 1586 C SER A 100 15.101 24.653 2.766 1.00 0.00 C ATOM 1587 O SER A 100 15.860 23.702 2.951 1.00 0.00 O ATOM 1588 CB SER A 100 12.687 24.670 2.110 1.00 0.00 C ATOM 1589 OG SER A 100 11.919 25.672 1.464 1.00 0.00 O ATOM 0 H SER A 100 14.994 22.815 1.104 1.00 0.00 H new ATOM 0 HA SER A 100 14.297 25.561 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 100 12.231 23.694 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.686 24.844 3.186 1.00 0.00 H new ATOM 0 HG SER A 100 11.987 25.561 0.493 1.00 0.00 H new ATOM 1595 N SER A 101 15.073 25.721 3.556 1.00 0.00 N ATOM 1596 CA SER A 101 15.956 25.841 4.710 1.00 0.00 C ATOM 1597 C SER A 101 17.410 25.983 4.269 1.00 0.00 C ATOM 1598 O SER A 101 17.868 25.282 3.367 1.00 0.00 O ATOM 1599 CB SER A 101 15.805 24.623 5.624 1.00 0.00 C ATOM 1600 OG SER A 101 15.156 24.972 6.834 1.00 0.00 O ATOM 0 H SER A 101 14.449 26.516 3.418 1.00 0.00 H new ATOM 0 HA SER A 101 15.672 26.737 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.234 23.848 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.787 24.204 5.842 1.00 0.00 H new ATOM 0 HG SER A 101 15.070 24.177 7.400 1.00 0.00 H new ATOM 1606 N GLY A 102 18.131 26.896 4.913 1.00 0.00 N ATOM 1607 CA GLY A 102 19.525 27.114 4.575 1.00 0.00 C ATOM 1608 C GLY A 102 19.694 27.863 3.268 1.00 0.00 C ATOM 1609 O GLY A 102 20.447 28.835 3.195 1.00 0.00 O ATOM 0 H GLY A 102 17.774 27.488 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 102 20.007 27.674 5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 102 20.034 26.153 4.508 1.00 0.00 H new TER 1613 GLY A 102