USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 839 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 132 ASN : amide:sc= 0.0833 X(o=1,f=0.77) USER MOD Set 1.2: A 133 HIS : no HE2:sc= 0.00705 K(o=1,f=-0.56) USER MOD Set 1.3: B 149 C O2' : rot 94:sc= 0.934 USER MOD Set 2.1: A 94 LYS NZ :NH3+ 169:sc= 2.06 (180deg=1.17) USER MOD Set 2.2: B 152 U O2' : rot 65:sc= 0.933 USER MOD Set 3.1: A 87 ASN : amide:sc= 0.619 K(o=1.4,f=-0.12) USER MOD Set 3.2: A 141 SER OG : rot 67:sc= 0.805 USER MOD Set 4.1: A 65 LYS NZ :NH3+ 157:sc= 0.705 (180deg=-0.179) USER MOD Set 4.2: B 147 C O2' : rot -11:sc= 1.69 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 142:sc= 1.27 USER MOD Single : A 62 HIS : no HE2:sc= -3.46 K(o=-3.5,f=-6.1!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 90 MET CE :methyl 176:sc= 0 (180deg=-0.0128) USER MOD Single : A 92 LYS NZ :NH3+ 161:sc= 1.25 (180deg=0.91) USER MOD Single : A 95 ASN : amide:sc= 0.943 K(o=0.94,f=-0.7) USER MOD Single : A 96 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.37) USER MOD Single : A 101 MET CE :methyl 171:sc= -4.29! (180deg=-4.83!) USER MOD Single : A 102 ASN :FLIP amide:sc= -5.56! C(o=-7.2!,f=-5.6!) USER MOD Single : A 103 THR OG1 : rot 151:sc= 0.476 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 179:sc= -1.75 (180deg=-1.77) USER MOD Single : A 112 ASN : amide:sc= 0.184 X(o=0.18,f=-0.011) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 154:sc= 0.204 USER MOD Single : A 115 THR OG1 : rot 77:sc= 0.847 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 SER OG : rot 49:sc= 1.58 USER MOD Single : A 134 LYS NZ :NH3+ -172:sc= 0.765 (180deg=0.724) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 147 C O5' : rot 66:sc= 0.0849 USER MOD Single : B 148 U O2' : rot -18:sc= 1.25 USER MOD Single : B 150 U O2' : rot -22:sc= 0.0532 USER MOD Single : B 151 C O2' : rot -28:sc= 0.126 USER MOD Single : B 152 U O3' : rot 171:sc= 0.0154 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 49 -23.228 7.579 -3.478 1.00 0.00 N ATOM 2 CA GLY A 49 -22.026 6.755 -3.223 1.00 0.00 C ATOM 3 C GLY A 49 -21.276 7.228 -1.986 1.00 0.00 C ATOM 4 O GLY A 49 -21.230 8.427 -1.705 1.00 0.00 O ATOM 0 HA2 GLY A 49 -22.319 5.713 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.365 6.797 -4.089 1.00 0.00 H new ATOM 8 N ASP A 50 -20.694 6.297 -1.224 1.00 0.00 N ATOM 9 CA ASP A 50 -19.928 6.590 0.001 1.00 0.00 C ATOM 10 C ASP A 50 -18.632 7.395 -0.259 1.00 0.00 C ATOM 11 O ASP A 50 -18.032 7.326 -1.337 1.00 0.00 O ATOM 12 CB ASP A 50 -19.594 5.264 0.713 1.00 0.00 C ATOM 13 CG ASP A 50 -18.781 5.488 2.002 1.00 0.00 C ATOM 14 OD1 ASP A 50 -19.222 6.302 2.848 1.00 0.00 O ATOM 15 OD2 ASP A 50 -17.664 4.936 2.127 1.00 0.00 O ATOM 0 H ASP A 50 -20.740 5.301 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 50 -20.555 7.222 0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -20.519 4.740 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -19.031 4.621 0.036 1.00 0.00 H new ATOM 20 N SER A 51 -18.171 8.109 0.771 1.00 0.00 N ATOM 21 CA SER A 51 -16.869 8.785 0.858 1.00 0.00 C ATOM 22 C SER A 51 -16.140 8.576 2.201 1.00 0.00 C ATOM 23 O SER A 51 -14.993 9.008 2.341 1.00 0.00 O ATOM 24 CB SER A 51 -17.052 10.286 0.593 1.00 0.00 C ATOM 25 OG SER A 51 -17.920 10.865 1.561 1.00 0.00 O ATOM 0 H SER A 51 -18.726 8.240 1.616 1.00 0.00 H new ATOM 0 HA SER A 51 -16.235 8.330 0.097 1.00 0.00 H new ATOM 0 HB2 SER A 51 -16.084 10.786 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.461 10.437 -0.406 1.00 0.00 H new ATOM 0 HG SER A 51 -18.023 11.822 1.377 1.00 0.00 H new ATOM 31 N ARG A 52 -16.763 7.916 3.192 1.00 0.00 N ATOM 32 CA ARG A 52 -16.222 7.743 4.555 1.00 0.00 C ATOM 33 C ARG A 52 -15.109 6.690 4.647 1.00 0.00 C ATOM 34 O ARG A 52 -14.238 6.808 5.513 1.00 0.00 O ATOM 35 CB ARG A 52 -17.359 7.397 5.534 1.00 0.00 C ATOM 36 CG ARG A 52 -18.443 8.491 5.584 1.00 0.00 C ATOM 37 CD ARG A 52 -19.558 8.161 6.585 1.00 0.00 C ATOM 38 NE ARG A 52 -19.088 8.200 7.986 1.00 0.00 N ATOM 39 CZ ARG A 52 -18.942 9.261 8.759 1.00 0.00 C ATOM 40 NH1 ARG A 52 -19.200 10.470 8.345 1.00 0.00 N ATOM 41 NH2 ARG A 52 -18.523 9.128 9.987 1.00 0.00 N ATOM 0 H ARG A 52 -17.676 7.478 3.067 1.00 0.00 H new ATOM 0 HA ARG A 52 -15.767 8.695 4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.814 6.451 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.945 7.254 6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.984 9.442 5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -18.875 8.617 4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -20.377 8.870 6.459 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -19.957 7.171 6.366 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.848 7.302 8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.528 10.623 7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.074 11.262 8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.306 8.201 10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.412 9.951 10.580 1.00 0.00 H new ATOM 55 N SER A 53 -15.109 5.680 3.772 1.00 0.00 N ATOM 56 CA SER A 53 -14.028 4.681 3.666 1.00 0.00 C ATOM 57 C SER A 53 -12.658 5.322 3.364 1.00 0.00 C ATOM 58 O SER A 53 -12.584 6.477 2.939 1.00 0.00 O ATOM 59 CB SER A 53 -14.397 3.638 2.604 1.00 0.00 C ATOM 60 OG SER A 53 -13.501 2.537 2.660 1.00 0.00 O ATOM 0 H SER A 53 -15.867 5.527 3.107 1.00 0.00 H new ATOM 0 HA SER A 53 -13.927 4.192 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.418 3.293 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.365 4.091 1.613 1.00 0.00 H new ATOM 0 HG SER A 53 -13.749 1.878 1.978 1.00 0.00 H new ATOM 66 N ALA A 54 -11.562 4.590 3.608 1.00 0.00 N ATOM 67 CA ALA A 54 -10.153 5.016 3.471 1.00 0.00 C ATOM 68 C ALA A 54 -9.758 6.318 4.228 1.00 0.00 C ATOM 69 O ALA A 54 -8.630 6.794 4.087 1.00 0.00 O ATOM 70 CB ALA A 54 -9.815 5.055 1.970 1.00 0.00 C ATOM 0 H ALA A 54 -11.635 3.624 3.926 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.535 4.277 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.779 5.367 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.953 4.063 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.474 5.763 1.467 1.00 0.00 H new ATOM 76 N GLY A 55 -10.649 6.898 5.045 1.00 0.00 N ATOM 77 CA GLY A 55 -10.444 8.183 5.718 1.00 0.00 C ATOM 78 C GLY A 55 -10.646 9.393 4.793 1.00 0.00 C ATOM 79 O GLY A 55 -9.881 10.356 4.886 1.00 0.00 O ATOM 0 H GLY A 55 -11.552 6.475 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.133 8.259 6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.435 8.213 6.129 1.00 0.00 H new ATOM 83 N VAL A 56 -11.646 9.333 3.899 1.00 0.00 N ATOM 84 CA VAL A 56 -11.968 10.316 2.834 1.00 0.00 C ATOM 85 C VAL A 56 -10.723 10.663 1.995 1.00 0.00 C ATOM 86 O VAL A 56 -10.032 11.653 2.240 1.00 0.00 O ATOM 87 CB VAL A 56 -12.836 11.500 3.317 1.00 0.00 C ATOM 88 CG1 VAL A 56 -12.229 12.428 4.382 1.00 0.00 C ATOM 89 CG2 VAL A 56 -13.308 12.352 2.131 1.00 0.00 C ATOM 0 H VAL A 56 -12.298 8.548 3.895 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.644 9.836 2.126 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.664 10.999 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.943 13.214 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.999 11.852 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.314 12.877 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.917 13.179 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -12.442 12.746 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.900 11.737 1.454 1.00 0.00 H new ATOM 99 N PRO A 57 -10.349 9.765 1.070 1.00 0.00 N ATOM 100 CA PRO A 57 -8.952 9.498 0.727 1.00 0.00 C ATOM 101 C PRO A 57 -8.473 10.257 -0.523 1.00 0.00 C ATOM 102 O PRO A 57 -9.226 11.028 -1.125 1.00 0.00 O ATOM 103 CB PRO A 57 -8.979 7.982 0.559 1.00 0.00 C ATOM 104 CG PRO A 57 -10.256 7.793 -0.263 1.00 0.00 C ATOM 105 CD PRO A 57 -11.193 8.704 0.520 1.00 0.00 C ATOM 0 HA PRO A 57 -8.235 9.843 1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.096 7.611 0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.026 7.463 1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.137 8.106 -1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.595 6.757 -0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.968 9.116 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.699 8.155 1.314 1.00 0.00 H new ATOM 113 N SER A 58 -7.207 10.065 -0.910 1.00 0.00 N ATOM 114 CA SER A 58 -6.562 10.789 -2.021 1.00 0.00 C ATOM 115 C SER A 58 -5.551 9.942 -2.829 1.00 0.00 C ATOM 116 O SER A 58 -5.666 8.716 -2.911 1.00 0.00 O ATOM 117 CB SER A 58 -5.957 12.099 -1.491 1.00 0.00 C ATOM 118 OG SER A 58 -4.747 11.852 -0.809 1.00 0.00 O ATOM 0 H SER A 58 -6.589 9.393 -0.456 1.00 0.00 H new ATOM 0 HA SER A 58 -7.336 11.025 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.779 12.784 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.665 12.587 -0.820 1.00 0.00 H new ATOM 0 HG SER A 58 -4.112 12.574 -0.998 1.00 0.00 H new ATOM 124 N ARG A 59 -4.606 10.609 -3.505 1.00 0.00 N ATOM 125 CA ARG A 59 -3.687 10.157 -4.565 1.00 0.00 C ATOM 126 C ARG A 59 -2.688 9.027 -4.236 1.00 0.00 C ATOM 127 O ARG A 59 -2.045 8.544 -5.171 1.00 0.00 O ATOM 128 CB ARG A 59 -2.932 11.404 -5.050 1.00 0.00 C ATOM 129 CG ARG A 59 -3.686 12.179 -6.157 1.00 0.00 C ATOM 130 CD ARG A 59 -3.132 13.598 -6.314 1.00 0.00 C ATOM 131 NE ARG A 59 -1.658 13.581 -6.325 1.00 0.00 N ATOM 132 CZ ARG A 59 -0.806 14.547 -6.075 1.00 0.00 C ATOM 133 NH1 ARG A 59 -1.156 15.801 -6.050 1.00 0.00 N ATOM 134 NH2 ARG A 59 0.432 14.236 -5.831 1.00 0.00 N ATOM 0 H ARG A 59 -4.447 11.595 -3.299 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.317 9.685 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.759 12.068 -4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.954 11.105 -5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.598 11.645 -7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.748 12.225 -5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.503 14.039 -7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.488 14.226 -5.497 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.237 12.683 -6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.125 16.064 -6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.461 16.521 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.723 13.258 -5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.113 14.970 -5.634 1.00 0.00 H new ATOM 148 N VAL A 60 -2.573 8.554 -2.986 1.00 0.00 N ATOM 149 CA VAL A 60 -1.852 7.303 -2.663 1.00 0.00 C ATOM 150 C VAL A 60 -2.808 6.130 -2.436 1.00 0.00 C ATOM 151 O VAL A 60 -3.764 6.204 -1.665 1.00 0.00 O ATOM 152 CB VAL A 60 -0.773 7.432 -1.569 1.00 0.00 C ATOM 153 CG1 VAL A 60 -1.111 8.139 -0.262 1.00 0.00 C ATOM 154 CG2 VAL A 60 -0.164 6.076 -1.267 1.00 0.00 C ATOM 0 H VAL A 60 -2.973 9.021 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.274 7.075 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.073 8.124 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.237 8.137 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.406 9.167 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.932 7.619 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.596 6.183 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.943 5.397 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.293 5.673 -2.171 1.00 0.00 H new ATOM 164 N ILE A 61 -2.508 5.009 -3.089 1.00 0.00 N ATOM 165 CA ILE A 61 -3.057 3.666 -2.855 1.00 0.00 C ATOM 166 C ILE A 61 -2.032 2.821 -2.099 1.00 0.00 C ATOM 167 O ILE A 61 -0.835 3.049 -2.219 1.00 0.00 O ATOM 168 CB ILE A 61 -3.408 3.050 -4.225 1.00 0.00 C ATOM 169 CG1 ILE A 61 -4.653 3.758 -4.789 1.00 0.00 C ATOM 170 CG2 ILE A 61 -3.637 1.527 -4.257 1.00 0.00 C ATOM 171 CD1 ILE A 61 -4.591 3.761 -6.310 1.00 0.00 C ATOM 0 H ILE A 61 -1.828 5.010 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.959 3.708 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.519 3.208 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.557 3.250 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.704 4.780 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.876 1.216 -5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.733 1.016 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.464 1.269 -3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.473 4.262 -6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.695 4.288 -6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.561 2.734 -6.675 1.00 0.00 H new ATOM 183 N HIS A 62 -2.490 1.826 -1.354 1.00 0.00 N ATOM 184 CA HIS A 62 -1.673 0.858 -0.626 1.00 0.00 C ATOM 185 C HIS A 62 -1.973 -0.572 -1.108 1.00 0.00 C ATOM 186 O HIS A 62 -3.123 -0.919 -1.382 1.00 0.00 O ATOM 187 CB HIS A 62 -1.917 1.067 0.875 1.00 0.00 C ATOM 188 CG HIS A 62 -1.514 -0.092 1.744 1.00 0.00 C ATOM 189 ND1 HIS A 62 -2.095 -1.344 1.746 1.00 0.00 N ATOM 190 CD2 HIS A 62 -0.575 -0.071 2.734 1.00 0.00 C ATOM 191 CE1 HIS A 62 -1.471 -2.081 2.676 1.00 0.00 C ATOM 192 NE2 HIS A 62 -0.542 -1.347 3.303 1.00 0.00 N ATOM 0 H HIS A 62 -3.489 1.661 -1.233 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.611 1.010 -0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.371 1.953 1.198 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.976 1.271 1.032 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.861 -1.653 1.148 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.030 0.775 3.024 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.686 -3.118 2.889 1.00 0.00 H new ATOM 200 N ILE A 63 -0.935 -1.415 -1.154 1.00 0.00 N ATOM 201 CA ILE A 63 -0.927 -2.784 -1.695 1.00 0.00 C ATOM 202 C ILE A 63 -0.474 -3.773 -0.604 1.00 0.00 C ATOM 203 O ILE A 63 0.534 -3.528 0.067 1.00 0.00 O ATOM 204 CB ILE A 63 0.010 -2.873 -2.930 1.00 0.00 C ATOM 205 CG1 ILE A 63 -0.050 -1.631 -3.860 1.00 0.00 C ATOM 206 CG2 ILE A 63 -0.307 -4.159 -3.717 1.00 0.00 C ATOM 207 CD1 ILE A 63 0.902 -1.677 -5.063 1.00 0.00 C ATOM 0 H ILE A 63 -0.020 -1.145 -0.793 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.937 -3.045 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 63 1.032 -2.900 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.070 -1.519 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.176 -0.743 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.349 -4.225 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.149 -5.026 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.345 -4.137 -4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.788 -0.767 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.930 -1.754 -4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.665 -2.542 -5.682 1.00 0.00 H new ATOM 219 N ARG A 64 -1.183 -4.901 -0.430 1.00 0.00 N ATOM 220 CA ARG A 64 -0.818 -6.020 0.467 1.00 0.00 C ATOM 221 C ARG A 64 0.077 -7.032 -0.269 1.00 0.00 C ATOM 222 O ARG A 64 0.097 -7.058 -1.495 1.00 0.00 O ATOM 223 CB ARG A 64 -2.087 -6.729 1.022 1.00 0.00 C ATOM 224 CG ARG A 64 -3.163 -5.741 1.494 1.00 0.00 C ATOM 225 CD ARG A 64 -4.302 -6.305 2.362 1.00 0.00 C ATOM 226 NE ARG A 64 -5.345 -5.268 2.508 1.00 0.00 N ATOM 227 CZ ARG A 64 -6.653 -5.364 2.359 1.00 0.00 C ATOM 228 NH1 ARG A 64 -7.283 -6.495 2.253 1.00 0.00 N ATOM 229 NH2 ARG A 64 -7.379 -4.285 2.312 1.00 0.00 N ATOM 0 H ARG A 64 -2.058 -5.069 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.262 -5.607 1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.506 -7.372 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.803 -7.374 1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.670 -4.948 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.607 -5.278 0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.721 -7.200 1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.922 -6.599 3.340 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.003 -4.341 2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.764 -7.373 2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.297 -6.505 2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.937 -3.369 2.390 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.390 -4.355 2.197 1.00 0.00 H new ATOM 243 N LYS A 65 0.709 -7.945 0.472 1.00 0.00 N ATOM 244 CA LYS A 65 1.183 -9.280 0.012 1.00 0.00 C ATOM 245 C LYS A 65 2.026 -9.303 -1.274 1.00 0.00 C ATOM 246 O LYS A 65 1.995 -10.244 -2.068 1.00 0.00 O ATOM 247 CB LYS A 65 -0.032 -10.203 -0.088 1.00 0.00 C ATOM 248 CG LYS A 65 -0.745 -10.284 1.264 1.00 0.00 C ATOM 249 CD LYS A 65 -2.136 -10.814 1.036 1.00 0.00 C ATOM 250 CE LYS A 65 -2.224 -12.328 0.773 1.00 0.00 C ATOM 251 NZ LYS A 65 -1.707 -13.130 1.919 1.00 0.00 N ATOM 0 H LYS A 65 0.921 -7.780 1.456 1.00 0.00 H new ATOM 0 HA LYS A 65 1.895 -9.630 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.719 -9.831 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.283 -11.198 -0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.197 -10.937 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.786 -9.300 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.746 -10.577 1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.574 -10.288 0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.261 -12.602 0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.656 -12.573 -0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.121 -14.084 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.671 -13.200 1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.968 -12.667 2.813 1.00 0.00 H new ATOM 265 N LEU A 66 2.827 -8.260 -1.424 1.00 0.00 N ATOM 266 CA LEU A 66 3.974 -8.167 -2.330 1.00 0.00 C ATOM 267 C LEU A 66 4.943 -9.368 -2.148 1.00 0.00 C ATOM 268 O LEU A 66 4.964 -10.009 -1.092 1.00 0.00 O ATOM 269 CB LEU A 66 4.751 -6.875 -1.985 1.00 0.00 C ATOM 270 CG LEU A 66 4.784 -5.820 -3.089 1.00 0.00 C ATOM 271 CD1 LEU A 66 3.467 -5.073 -3.174 1.00 0.00 C ATOM 272 CD2 LEU A 66 5.876 -4.815 -2.759 1.00 0.00 C ATOM 0 H LEU A 66 2.691 -7.403 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 66 3.607 -8.166 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.308 -6.431 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.776 -7.144 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 66 4.969 -6.318 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.521 -4.329 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.663 -5.777 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.269 -4.576 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.916 -4.052 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.660 -4.344 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.837 -5.327 -2.703 1.00 0.00 H new ATOM 284 N PRO A 67 5.835 -9.614 -3.122 1.00 0.00 N ATOM 285 CA PRO A 67 7.094 -10.338 -2.926 1.00 0.00 C ATOM 286 C PRO A 67 8.018 -9.750 -1.847 1.00 0.00 C ATOM 287 O PRO A 67 7.762 -8.717 -1.228 1.00 0.00 O ATOM 288 CB PRO A 67 7.812 -10.317 -4.279 1.00 0.00 C ATOM 289 CG PRO A 67 6.678 -10.098 -5.267 1.00 0.00 C ATOM 290 CD PRO A 67 5.713 -9.187 -4.498 1.00 0.00 C ATOM 0 HA PRO A 67 6.857 -11.341 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 67 8.552 -9.518 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.339 -11.252 -4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.030 -9.628 -6.185 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.204 -11.038 -5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.981 -8.137 -4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.690 -9.297 -4.859 1.00 0.00 H new ATOM 298 N ILE A 68 9.145 -10.430 -1.675 1.00 0.00 N ATOM 299 CA ILE A 68 10.193 -10.156 -0.675 1.00 0.00 C ATOM 300 C ILE A 68 11.094 -8.977 -1.054 1.00 0.00 C ATOM 301 O ILE A 68 11.628 -8.284 -0.190 1.00 0.00 O ATOM 302 CB ILE A 68 11.043 -11.431 -0.461 1.00 0.00 C ATOM 303 CG1 ILE A 68 11.763 -11.904 -1.751 1.00 0.00 C ATOM 304 CG2 ILE A 68 10.115 -12.528 0.083 1.00 0.00 C ATOM 305 CD1 ILE A 68 12.630 -13.158 -1.575 1.00 0.00 C ATOM 0 H ILE A 68 9.374 -11.235 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 68 9.691 -9.874 0.251 1.00 0.00 H new ATOM 0 HB ILE A 68 11.838 -11.206 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 68 11.014 -12.101 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.391 -11.093 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.687 -13.442 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.680 -12.201 1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.319 -12.721 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.094 -13.416 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.405 -12.963 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.007 -13.987 -1.239 1.00 0.00 H new ATOM 317 N ASP A 69 11.276 -8.772 -2.359 1.00 0.00 N ATOM 318 CA ASP A 69 12.241 -7.847 -2.959 1.00 0.00 C ATOM 319 C ASP A 69 11.817 -7.459 -4.393 1.00 0.00 C ATOM 320 O ASP A 69 12.648 -7.348 -5.298 1.00 0.00 O ATOM 321 CB ASP A 69 13.647 -8.479 -2.902 1.00 0.00 C ATOM 322 CG ASP A 69 14.766 -7.452 -3.147 1.00 0.00 C ATOM 323 OD1 ASP A 69 14.791 -6.415 -2.438 1.00 0.00 O ATOM 324 OD2 ASP A 69 15.667 -7.710 -3.983 1.00 0.00 O ATOM 0 H ASP A 69 10.729 -9.270 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 69 12.266 -6.917 -2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.793 -8.945 -1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.716 -9.271 -3.647 1.00 0.00 H new ATOM 329 N VAL A 70 10.502 -7.305 -4.618 1.00 0.00 N ATOM 330 CA VAL A 70 9.932 -6.854 -5.904 1.00 0.00 C ATOM 331 C VAL A 70 10.619 -5.575 -6.411 1.00 0.00 C ATOM 332 O VAL A 70 11.069 -4.749 -5.610 1.00 0.00 O ATOM 333 CB VAL A 70 8.396 -6.666 -5.811 1.00 0.00 C ATOM 334 CG1 VAL A 70 7.943 -5.248 -5.459 1.00 0.00 C ATOM 335 CG2 VAL A 70 7.738 -7.032 -7.140 1.00 0.00 C ATOM 0 H VAL A 70 9.795 -7.491 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 70 10.124 -7.641 -6.634 1.00 0.00 H new ATOM 0 HB VAL A 70 8.089 -7.324 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.854 -5.214 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.353 -4.965 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.299 -4.553 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.659 -6.896 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.129 -6.389 -7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.956 -8.073 -7.379 1.00 0.00 H new ATOM 345 N THR A 71 10.669 -5.375 -7.733 1.00 0.00 N ATOM 346 CA THR A 71 11.209 -4.130 -8.297 1.00 0.00 C ATOM 347 C THR A 71 10.141 -3.048 -8.359 1.00 0.00 C ATOM 348 O THR A 71 9.029 -3.213 -8.875 1.00 0.00 O ATOM 349 CB THR A 71 11.991 -4.311 -9.611 1.00 0.00 C ATOM 350 OG1 THR A 71 12.364 -3.046 -10.114 1.00 0.00 O ATOM 351 CG2 THR A 71 11.266 -5.044 -10.734 1.00 0.00 C ATOM 0 H THR A 71 10.346 -6.050 -8.426 1.00 0.00 H new ATOM 0 HA THR A 71 11.974 -3.784 -7.602 1.00 0.00 H new ATOM 0 HB THR A 71 12.837 -4.938 -9.329 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.863 -3.160 -10.949 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.917 -5.109 -11.606 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.002 -6.048 -10.402 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.359 -4.499 -10.998 1.00 0.00 H new ATOM 359 N GLU A 72 10.486 -1.892 -7.805 1.00 0.00 N ATOM 360 CA GLU A 72 9.657 -0.702 -7.868 1.00 0.00 C ATOM 361 C GLU A 72 9.421 -0.243 -9.328 1.00 0.00 C ATOM 362 O GLU A 72 8.388 0.349 -9.630 1.00 0.00 O ATOM 363 CB GLU A 72 10.258 0.355 -6.924 1.00 0.00 C ATOM 364 CG GLU A 72 11.447 1.165 -7.452 1.00 0.00 C ATOM 365 CD GLU A 72 12.705 0.329 -7.769 1.00 0.00 C ATOM 366 OE1 GLU A 72 12.989 -0.666 -7.059 1.00 0.00 O ATOM 367 OE2 GLU A 72 13.430 0.686 -8.729 1.00 0.00 O ATOM 0 H GLU A 72 11.359 -1.756 -7.295 1.00 0.00 H new ATOM 0 HA GLU A 72 8.648 -0.906 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.467 1.054 -6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.570 -0.147 -6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.139 1.690 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.708 1.925 -6.715 1.00 0.00 H new ATOM 374 N GLY A 73 10.307 -0.632 -10.260 1.00 0.00 N ATOM 375 CA GLY A 73 10.115 -0.517 -11.712 1.00 0.00 C ATOM 376 C GLY A 73 8.929 -1.332 -12.253 1.00 0.00 C ATOM 377 O GLY A 73 8.215 -0.888 -13.153 1.00 0.00 O ATOM 0 H GLY A 73 11.205 -1.048 -10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.967 0.533 -11.967 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.026 -0.842 -12.215 1.00 0.00 H new ATOM 381 N GLU A 74 8.680 -2.513 -11.681 1.00 0.00 N ATOM 382 CA GLU A 74 7.486 -3.319 -11.967 1.00 0.00 C ATOM 383 C GLU A 74 6.244 -2.612 -11.431 1.00 0.00 C ATOM 384 O GLU A 74 5.255 -2.475 -12.149 1.00 0.00 O ATOM 385 CB GLU A 74 7.597 -4.747 -11.385 1.00 0.00 C ATOM 386 CG GLU A 74 7.999 -5.753 -12.467 1.00 0.00 C ATOM 387 CD GLU A 74 7.927 -7.202 -11.948 1.00 0.00 C ATOM 388 OE1 GLU A 74 8.872 -7.656 -11.257 1.00 0.00 O ATOM 389 OE2 GLU A 74 6.928 -7.905 -12.240 1.00 0.00 O ATOM 0 H GLU A 74 9.306 -2.942 -11.000 1.00 0.00 H new ATOM 0 HA GLU A 74 7.403 -3.423 -13.049 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.333 -4.759 -10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.643 -5.040 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.343 -5.642 -13.330 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.012 -5.537 -12.807 1.00 0.00 H new ATOM 396 N VAL A 75 6.303 -2.119 -10.189 1.00 0.00 N ATOM 397 CA VAL A 75 5.141 -1.488 -9.542 1.00 0.00 C ATOM 398 C VAL A 75 4.681 -0.186 -10.232 1.00 0.00 C ATOM 399 O VAL A 75 3.483 -0.050 -10.494 1.00 0.00 O ATOM 400 CB VAL A 75 5.365 -1.366 -8.029 1.00 0.00 C ATOM 401 CG1 VAL A 75 4.176 -0.714 -7.313 1.00 0.00 C ATOM 402 CG2 VAL A 75 5.567 -2.761 -7.413 1.00 0.00 C ATOM 0 H VAL A 75 7.142 -2.144 -9.609 1.00 0.00 H new ATOM 0 HA VAL A 75 4.286 -2.151 -9.676 1.00 0.00 H new ATOM 0 HB VAL A 75 6.247 -0.739 -7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.384 -0.651 -6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.016 0.288 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.281 -1.315 -7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.725 -2.665 -6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.683 -3.371 -7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.436 -3.237 -7.867 1.00 0.00 H new ATOM 412 N ILE A 76 5.554 0.756 -10.629 1.00 0.00 N ATOM 413 CA ILE A 76 5.095 1.922 -11.418 1.00 0.00 C ATOM 414 C ILE A 76 4.803 1.606 -12.883 1.00 0.00 C ATOM 415 O ILE A 76 3.948 2.266 -13.463 1.00 0.00 O ATOM 416 CB ILE A 76 5.975 3.180 -11.310 1.00 0.00 C ATOM 417 CG1 ILE A 76 7.085 3.389 -12.354 1.00 0.00 C ATOM 418 CG2 ILE A 76 6.483 3.387 -9.886 1.00 0.00 C ATOM 419 CD1 ILE A 76 8.123 2.281 -12.321 1.00 0.00 C ATOM 0 H ILE A 76 6.554 0.740 -10.426 1.00 0.00 H new ATOM 0 HA ILE A 76 4.151 2.164 -10.930 1.00 0.00 H new ATOM 0 HB ILE A 76 5.275 3.972 -11.577 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.641 3.438 -13.348 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.573 4.347 -12.175 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.101 4.284 -9.847 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.635 3.500 -9.210 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.076 2.524 -9.582 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.885 2.474 -13.076 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.588 2.248 -11.336 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.642 1.325 -12.527 1.00 0.00 H new ATOM 431 N SER A 77 5.420 0.577 -13.475 1.00 0.00 N ATOM 432 CA SER A 77 4.971 0.055 -14.780 1.00 0.00 C ATOM 433 C SER A 77 3.551 -0.495 -14.693 1.00 0.00 C ATOM 434 O SER A 77 2.780 -0.404 -15.652 1.00 0.00 O ATOM 435 CB SER A 77 5.943 -1.007 -15.303 1.00 0.00 C ATOM 436 OG SER A 77 5.618 -1.385 -16.630 1.00 0.00 O ATOM 0 H SER A 77 6.224 0.090 -13.080 1.00 0.00 H new ATOM 0 HA SER A 77 4.962 0.883 -15.489 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.962 -0.620 -15.271 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.914 -1.883 -14.654 1.00 0.00 H new ATOM 0 HG SER A 77 6.254 -2.063 -16.942 1.00 0.00 H new ATOM 442 N LEU A 78 3.165 -0.963 -13.505 1.00 0.00 N ATOM 443 CA LEU A 78 1.799 -1.335 -13.178 1.00 0.00 C ATOM 444 C LEU A 78 0.899 -0.151 -12.791 1.00 0.00 C ATOM 445 O LEU A 78 -0.323 -0.286 -12.848 1.00 0.00 O ATOM 446 CB LEU A 78 1.834 -2.421 -12.086 1.00 0.00 C ATOM 447 CG LEU A 78 2.035 -3.821 -12.676 1.00 0.00 C ATOM 448 CD1 LEU A 78 2.526 -4.777 -11.594 1.00 0.00 C ATOM 449 CD2 LEU A 78 0.720 -4.331 -13.267 1.00 0.00 C ATOM 0 H LEU A 78 3.814 -1.095 -12.729 1.00 0.00 H new ATOM 0 HA LEU A 78 1.336 -1.730 -14.082 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.639 -2.204 -11.384 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.903 -2.396 -11.520 1.00 0.00 H new ATOM 0 HG LEU A 78 2.783 -3.769 -13.467 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.666 -5.770 -12.022 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.474 -4.417 -11.193 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.789 -4.828 -10.792 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.871 -5.327 -13.684 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.037 -4.376 -12.484 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.388 -3.654 -14.054 1.00 0.00 H new ATOM 461 N GLY A 79 1.470 1.015 -12.469 1.00 0.00 N ATOM 462 CA GLY A 79 0.706 2.250 -12.253 1.00 0.00 C ATOM 463 C GLY A 79 0.526 3.128 -13.495 1.00 0.00 C ATOM 464 O GLY A 79 -0.413 3.920 -13.575 1.00 0.00 O ATOM 0 H GLY A 79 2.477 1.130 -12.351 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.279 1.987 -11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.204 2.837 -11.481 1.00 0.00 H new ATOM 468 N LEU A 80 1.431 3.038 -14.467 1.00 0.00 N ATOM 469 CA LEU A 80 1.533 4.024 -15.539 1.00 0.00 C ATOM 470 C LEU A 80 0.461 4.003 -16.644 1.00 0.00 C ATOM 471 O LEU A 80 0.182 5.081 -17.175 1.00 0.00 O ATOM 472 CB LEU A 80 2.951 4.007 -16.118 1.00 0.00 C ATOM 473 CG LEU A 80 3.888 4.959 -15.354 1.00 0.00 C ATOM 474 CD1 LEU A 80 5.334 4.724 -15.786 1.00 0.00 C ATOM 475 CD2 LEU A 80 3.514 6.419 -15.625 1.00 0.00 C ATOM 0 H LEU A 80 2.112 2.282 -14.533 1.00 0.00 H new ATOM 0 HA LEU A 80 1.317 4.973 -15.049 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.349 2.993 -16.076 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.919 4.294 -17.169 1.00 0.00 H new ATOM 0 HG LEU A 80 3.784 4.757 -14.288 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.991 5.402 -15.241 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.615 3.693 -15.570 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.429 4.909 -16.856 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.189 7.075 -15.075 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.598 6.624 -16.692 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.489 6.598 -15.300 1.00 0.00 H new ATOM 487 N PRO A 81 -0.209 2.880 -16.973 1.00 0.00 N ATOM 488 CA PRO A 81 -1.407 2.879 -17.819 1.00 0.00 C ATOM 489 C PRO A 81 -2.605 3.685 -17.312 1.00 0.00 C ATOM 490 O PRO A 81 -3.629 3.736 -18.000 1.00 0.00 O ATOM 491 CB PRO A 81 -1.777 1.405 -18.037 1.00 0.00 C ATOM 492 CG PRO A 81 -0.470 0.659 -17.776 1.00 0.00 C ATOM 493 CD PRO A 81 0.211 1.510 -16.711 1.00 0.00 C ATOM 0 HA PRO A 81 -1.157 3.401 -18.743 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.564 1.085 -17.354 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.143 1.230 -19.049 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.650 -0.357 -17.425 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.137 0.582 -18.678 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.084 1.195 -15.710 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.295 1.415 -16.768 1.00 0.00 H new ATOM 501 N PHE A 82 -2.490 4.320 -16.140 1.00 0.00 N ATOM 502 CA PHE A 82 -3.623 4.913 -15.445 1.00 0.00 C ATOM 503 C PHE A 82 -3.543 6.438 -15.341 1.00 0.00 C ATOM 504 O PHE A 82 -4.543 7.112 -15.595 1.00 0.00 O ATOM 505 CB PHE A 82 -3.789 4.246 -14.073 1.00 0.00 C ATOM 506 CG PHE A 82 -3.955 2.748 -14.185 1.00 0.00 C ATOM 507 CD1 PHE A 82 -2.851 1.902 -14.410 1.00 0.00 C ATOM 508 CD2 PHE A 82 -5.247 2.208 -14.144 1.00 0.00 C ATOM 509 CE1 PHE A 82 -3.056 0.528 -14.627 1.00 0.00 C ATOM 510 CE2 PHE A 82 -5.456 0.848 -14.399 1.00 0.00 C ATOM 511 CZ PHE A 82 -4.359 0.008 -14.644 1.00 0.00 C ATOM 0 H PHE A 82 -1.602 4.434 -15.651 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.514 4.723 -16.043 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.919 4.469 -13.455 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.657 4.670 -13.567 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.850 2.308 -14.416 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.088 2.846 -13.914 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.211 -0.127 -14.781 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.458 0.446 -14.407 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.518 -1.041 -14.846 1.00 0.00 H new ATOM 521 N GLY A 83 -2.373 6.993 -15.005 1.00 0.00 N ATOM 522 CA GLY A 83 -2.142 8.429 -15.008 1.00 0.00 C ATOM 523 C GLY A 83 -0.702 8.791 -15.350 1.00 0.00 C ATOM 524 O GLY A 83 -0.207 8.571 -16.458 1.00 0.00 O ATOM 0 H GLY A 83 -1.558 6.448 -14.722 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.812 8.899 -15.728 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.392 8.835 -14.028 1.00 0.00 H new ATOM 528 N LYS A 84 -0.044 9.333 -14.336 1.00 0.00 N ATOM 529 CA LYS A 84 1.349 9.749 -14.224 1.00 0.00 C ATOM 530 C LYS A 84 1.701 9.462 -12.768 1.00 0.00 C ATOM 531 O LYS A 84 0.930 9.843 -11.888 1.00 0.00 O ATOM 532 CB LYS A 84 1.421 11.252 -14.572 1.00 0.00 C ATOM 533 CG LYS A 84 2.753 11.730 -15.149 1.00 0.00 C ATOM 534 CD LYS A 84 3.144 11.027 -16.463 1.00 0.00 C ATOM 535 CE LYS A 84 4.384 11.699 -17.065 1.00 0.00 C ATOM 536 NZ LYS A 84 4.784 11.062 -18.347 1.00 0.00 N ATOM 0 H LYS A 84 -0.536 9.515 -13.461 1.00 0.00 H new ATOM 0 HA LYS A 84 2.043 9.238 -14.892 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.632 11.479 -15.289 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.208 11.827 -13.670 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.699 12.805 -15.324 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.539 11.566 -14.411 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.346 9.972 -16.275 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.316 11.072 -17.170 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.180 12.757 -17.232 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.210 11.641 -16.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.626 11.542 -18.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.002 10.058 -18.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.005 11.139 -19.031 1.00 0.00 H new ATOM 550 N VAL A 85 2.719 8.663 -12.482 1.00 0.00 N ATOM 551 CA VAL A 85 2.830 8.004 -11.160 1.00 0.00 C ATOM 552 C VAL A 85 4.223 8.227 -10.600 1.00 0.00 C ATOM 553 O VAL A 85 5.171 7.487 -10.865 1.00 0.00 O ATOM 554 CB VAL A 85 2.292 6.558 -11.150 1.00 0.00 C ATOM 555 CG1 VAL A 85 2.186 5.941 -9.751 1.00 0.00 C ATOM 556 CG2 VAL A 85 1.158 6.388 -12.153 1.00 0.00 C ATOM 0 H VAL A 85 3.478 8.448 -13.129 1.00 0.00 H new ATOM 0 HA VAL A 85 2.152 8.478 -10.450 1.00 0.00 H new ATOM 0 HB VAL A 85 3.042 5.875 -11.550 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.800 4.925 -9.830 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.172 5.920 -9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.510 6.539 -9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.798 5.359 -12.124 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.343 7.065 -11.898 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.521 6.618 -13.155 1.00 0.00 H new ATOM 566 N THR A 86 4.334 9.378 -9.939 1.00 0.00 N ATOM 567 CA THR A 86 5.574 10.066 -9.585 1.00 0.00 C ATOM 568 C THR A 86 6.316 9.350 -8.471 1.00 0.00 C ATOM 569 O THR A 86 7.545 9.300 -8.525 1.00 0.00 O ATOM 570 CB THR A 86 5.281 11.513 -9.151 1.00 0.00 C ATOM 571 OG1 THR A 86 4.240 11.535 -8.196 1.00 0.00 O ATOM 572 CG2 THR A 86 4.836 12.376 -10.333 1.00 0.00 C ATOM 0 H THR A 86 3.510 9.886 -9.617 1.00 0.00 H new ATOM 0 HA THR A 86 6.206 10.068 -10.473 1.00 0.00 H new ATOM 0 HB THR A 86 6.205 11.911 -8.733 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.063 12.460 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.638 13.391 -9.988 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.624 12.396 -11.086 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.929 11.957 -10.768 1.00 0.00 H new ATOM 580 N ASN A 87 5.608 8.762 -7.500 1.00 0.00 N ATOM 581 CA ASN A 87 6.236 8.043 -6.397 1.00 0.00 C ATOM 582 C ASN A 87 5.582 6.694 -6.078 1.00 0.00 C ATOM 583 O ASN A 87 4.424 6.426 -6.387 1.00 0.00 O ATOM 584 CB ASN A 87 6.283 8.947 -5.141 1.00 0.00 C ATOM 585 CG ASN A 87 7.317 10.064 -5.198 1.00 0.00 C ATOM 586 OD1 ASN A 87 8.422 9.911 -5.697 1.00 0.00 O ATOM 587 ND2 ASN A 87 7.010 11.220 -4.651 1.00 0.00 N ATOM 0 H ASN A 87 4.589 8.773 -7.461 1.00 0.00 H new ATOM 0 HA ASN A 87 7.249 7.802 -6.720 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.298 9.390 -4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.488 8.325 -4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.692 11.979 -4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.090 11.358 -4.232 1.00 0.00 H new ATOM 594 N LEU A 88 6.339 5.847 -5.390 1.00 0.00 N ATOM 595 CA LEU A 88 5.879 4.683 -4.648 1.00 0.00 C ATOM 596 C LEU A 88 6.800 4.410 -3.453 1.00 0.00 C ATOM 597 O LEU A 88 7.860 5.022 -3.312 1.00 0.00 O ATOM 598 CB LEU A 88 5.786 3.497 -5.610 1.00 0.00 C ATOM 599 CG LEU A 88 7.111 2.825 -6.005 1.00 0.00 C ATOM 600 CD1 LEU A 88 6.685 1.642 -6.856 1.00 0.00 C ATOM 601 CD2 LEU A 88 8.079 3.730 -6.769 1.00 0.00 C ATOM 0 H LEU A 88 7.351 5.963 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 88 4.887 4.861 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.142 2.742 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.291 3.835 -6.520 1.00 0.00 H new ATOM 0 HG LEU A 88 7.676 2.548 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.568 1.096 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.049 0.981 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.131 1.999 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.986 3.174 -7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.609 4.069 -7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.333 4.593 -6.153 1.00 0.00 H new ATOM 613 N LEU A 89 6.400 3.476 -2.598 1.00 0.00 N ATOM 614 CA LEU A 89 7.090 3.145 -1.347 1.00 0.00 C ATOM 615 C LEU A 89 6.946 1.657 -1.047 1.00 0.00 C ATOM 616 O LEU A 89 5.979 1.036 -1.483 1.00 0.00 O ATOM 617 CB LEU A 89 6.570 4.115 -0.276 1.00 0.00 C ATOM 618 CG LEU A 89 6.352 3.649 1.166 1.00 0.00 C ATOM 619 CD1 LEU A 89 5.767 4.857 1.884 1.00 0.00 C ATOM 620 CD2 LEU A 89 5.333 2.553 1.360 1.00 0.00 C ATOM 0 H LEU A 89 5.566 2.911 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 89 8.170 3.287 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.265 4.954 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.617 4.506 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 89 7.307 3.262 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.581 4.605 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.471 5.688 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.830 5.145 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.263 2.305 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.361 2.892 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.638 1.669 0.800 1.00 0.00 H new ATOM 632 N MET A 90 7.888 1.097 -0.282 1.00 0.00 N ATOM 633 CA MET A 90 7.975 -0.338 0.006 1.00 0.00 C ATOM 634 C MET A 90 8.193 -0.597 1.494 1.00 0.00 C ATOM 635 O MET A 90 9.306 -0.452 2.003 1.00 0.00 O ATOM 636 CB MET A 90 9.070 -0.987 -0.858 1.00 0.00 C ATOM 637 CG MET A 90 8.779 -0.700 -2.332 1.00 0.00 C ATOM 638 SD MET A 90 9.264 -1.965 -3.520 1.00 0.00 S ATOM 639 CE MET A 90 7.854 -1.661 -4.604 1.00 0.00 C ATOM 0 H MET A 90 8.627 1.640 0.164 1.00 0.00 H new ATOM 0 HA MET A 90 7.023 -0.801 -0.254 1.00 0.00 H new ATOM 0 HB2 MET A 90 10.048 -0.593 -0.584 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.099 -2.062 -0.683 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.708 -0.527 -2.439 1.00 0.00 H new ATOM 0 HG3 MET A 90 9.281 0.229 -2.602 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.939 -2.284 -5.494 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.931 -1.904 -4.077 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.839 -0.611 -4.896 1.00 0.00 H new ATOM 649 N LEU A 91 7.132 -1.000 2.196 1.00 0.00 N ATOM 650 CA LEU A 91 7.222 -1.517 3.566 1.00 0.00 C ATOM 651 C LEU A 91 7.740 -2.966 3.542 1.00 0.00 C ATOM 652 O LEU A 91 7.023 -3.931 3.840 1.00 0.00 O ATOM 653 CB LEU A 91 5.879 -1.397 4.316 1.00 0.00 C ATOM 654 CG LEU A 91 5.204 -0.015 4.453 1.00 0.00 C ATOM 655 CD1 LEU A 91 6.168 1.169 4.491 1.00 0.00 C ATOM 656 CD2 LEU A 91 4.112 0.187 3.406 1.00 0.00 C ATOM 0 H LEU A 91 6.180 -0.977 1.829 1.00 0.00 H new ATOM 0 HA LEU A 91 7.934 -0.905 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.169 -2.060 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.031 -1.787 5.322 1.00 0.00 H new ATOM 0 HG LEU A 91 4.740 -0.032 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.602 2.096 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.841 1.063 5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.750 1.194 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.661 1.171 3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.546 0.115 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.348 -0.581 3.525 1.00 0.00 H new ATOM 668 N LYS A 92 9.022 -3.112 3.182 1.00 0.00 N ATOM 669 CA LYS A 92 9.724 -4.396 3.042 1.00 0.00 C ATOM 670 C LYS A 92 9.772 -5.208 4.349 1.00 0.00 C ATOM 671 O LYS A 92 9.875 -6.434 4.310 1.00 0.00 O ATOM 672 CB LYS A 92 11.115 -4.123 2.441 1.00 0.00 C ATOM 673 CG LYS A 92 11.897 -5.404 2.095 1.00 0.00 C ATOM 674 CD LYS A 92 13.151 -5.092 1.267 1.00 0.00 C ATOM 675 CE LYS A 92 14.025 -6.343 1.146 1.00 0.00 C ATOM 676 NZ LYS A 92 15.217 -6.106 0.291 1.00 0.00 N ATOM 0 H LYS A 92 9.620 -2.312 2.973 1.00 0.00 H new ATOM 0 HA LYS A 92 9.163 -5.038 2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 92 11.001 -3.522 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.697 -3.531 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.184 -5.915 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 92 11.253 -6.085 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.864 -4.742 0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 92 13.716 -4.288 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.347 -6.658 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.435 -7.159 0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.933 -6.835 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.940 -6.149 -0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.614 -5.168 0.501 1.00 0.00 H new ATOM 690 N GLY A 93 9.589 -4.545 5.494 1.00 0.00 N ATOM 691 CA GLY A 93 9.386 -5.163 6.811 1.00 0.00 C ATOM 692 C GLY A 93 8.186 -6.119 6.901 1.00 0.00 C ATOM 693 O GLY A 93 8.228 -7.058 7.702 1.00 0.00 O ATOM 0 H GLY A 93 9.577 -3.526 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.289 -5.710 7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.258 -4.373 7.551 1.00 0.00 H new ATOM 697 N LYS A 94 7.120 -5.883 6.117 1.00 0.00 N ATOM 698 CA LYS A 94 5.818 -6.582 6.221 1.00 0.00 C ATOM 699 C LYS A 94 5.232 -7.098 4.891 1.00 0.00 C ATOM 700 O LYS A 94 4.217 -7.789 4.936 1.00 0.00 O ATOM 701 CB LYS A 94 4.802 -5.658 6.926 1.00 0.00 C ATOM 702 CG LYS A 94 5.155 -5.322 8.392 1.00 0.00 C ATOM 703 CD LYS A 94 4.609 -3.966 8.856 1.00 0.00 C ATOM 704 CE LYS A 94 5.326 -2.832 8.112 1.00 0.00 C ATOM 705 NZ LYS A 94 5.178 -1.528 8.802 1.00 0.00 N ATOM 0 H LYS A 94 7.136 -5.185 5.374 1.00 0.00 H new ATOM 0 HA LYS A 94 6.013 -7.483 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.722 -4.729 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.820 -6.131 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.762 -6.105 9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.239 -5.327 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.536 -3.913 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.752 -3.855 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.385 -3.074 8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.926 -2.754 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.824 -0.834 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.198 -1.194 8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.408 -1.640 9.810 1.00 0.00 H new ATOM 719 N ASN A 95 5.856 -6.790 3.746 1.00 0.00 N ATOM 720 CA ASN A 95 5.398 -7.063 2.367 1.00 0.00 C ATOM 721 C ASN A 95 4.222 -6.168 1.917 1.00 0.00 C ATOM 722 O ASN A 95 3.325 -6.615 1.194 1.00 0.00 O ATOM 723 CB ASN A 95 5.110 -8.557 2.110 1.00 0.00 C ATOM 724 CG ASN A 95 6.299 -9.491 2.267 1.00 0.00 C ATOM 725 OD1 ASN A 95 6.987 -9.532 3.278 1.00 0.00 O ATOM 726 ND2 ASN A 95 6.569 -10.309 1.276 1.00 0.00 N ATOM 0 H ASN A 95 6.756 -6.311 3.754 1.00 0.00 H new ATOM 0 HA ASN A 95 6.245 -6.792 1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.324 -8.880 2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.717 -8.664 1.099 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.344 -10.968 1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 95 6.004 -10.286 0.427 1.00 0.00 H new ATOM 733 N GLN A 96 4.238 -4.889 2.302 1.00 0.00 N ATOM 734 CA GLN A 96 3.291 -3.884 1.812 1.00 0.00 C ATOM 735 C GLN A 96 3.996 -2.834 0.931 1.00 0.00 C ATOM 736 O GLN A 96 5.223 -2.722 0.936 1.00 0.00 O ATOM 737 CB GLN A 96 2.567 -3.199 2.994 1.00 0.00 C ATOM 738 CG GLN A 96 1.367 -3.923 3.601 1.00 0.00 C ATOM 739 CD GLN A 96 1.700 -5.155 4.419 1.00 0.00 C ATOM 740 OE1 GLN A 96 1.805 -6.259 3.911 1.00 0.00 O ATOM 741 NE2 GLN A 96 1.782 -5.028 5.724 1.00 0.00 N ATOM 0 H GLN A 96 4.915 -4.519 2.969 1.00 0.00 H new ATOM 0 HA GLN A 96 2.550 -4.395 1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.297 -3.035 3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.233 -2.216 2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.823 -3.222 4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.693 -4.213 2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.695 -4.107 6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.933 -5.851 6.308 1.00 0.00 H new ATOM 750 N ALA A 97 3.222 -2.022 0.212 1.00 0.00 N ATOM 751 CA ALA A 97 3.686 -0.865 -0.557 1.00 0.00 C ATOM 752 C ALA A 97 2.630 0.247 -0.579 1.00 0.00 C ATOM 753 O ALA A 97 1.450 0.004 -0.330 1.00 0.00 O ATOM 754 CB ALA A 97 3.962 -1.323 -2.001 1.00 0.00 C ATOM 0 H ALA A 97 2.213 -2.157 0.146 1.00 0.00 H new ATOM 0 HA ALA A 97 4.588 -0.469 -0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.309 -0.475 -2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.727 -2.100 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.046 -1.719 -2.439 1.00 0.00 H new ATOM 760 N PHE A 98 3.055 1.450 -0.965 1.00 0.00 N ATOM 761 CA PHE A 98 2.201 2.537 -1.453 1.00 0.00 C ATOM 762 C PHE A 98 2.458 2.703 -2.957 1.00 0.00 C ATOM 763 O PHE A 98 3.572 2.429 -3.408 1.00 0.00 O ATOM 764 CB PHE A 98 2.575 3.878 -0.816 1.00 0.00 C ATOM 765 CG PHE A 98 2.190 4.149 0.626 1.00 0.00 C ATOM 766 CD1 PHE A 98 1.774 3.122 1.495 1.00 0.00 C ATOM 767 CD2 PHE A 98 2.277 5.468 1.116 1.00 0.00 C ATOM 768 CE1 PHE A 98 1.509 3.400 2.837 1.00 0.00 C ATOM 769 CE2 PHE A 98 1.985 5.759 2.445 1.00 0.00 C ATOM 770 CZ PHE A 98 1.626 4.715 3.292 1.00 0.00 C ATOM 0 H PHE A 98 4.042 1.706 -0.946 1.00 0.00 H new ATOM 0 HA PHE A 98 1.168 2.285 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.657 3.986 -0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 98 2.133 4.665 -1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.660 2.115 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.575 6.264 0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.218 2.610 3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.036 6.774 2.811 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.432 4.928 4.333 1.00 0.00 H new ATOM 780 N ILE A 99 1.519 3.279 -3.711 1.00 0.00 N ATOM 781 CA ILE A 99 1.750 3.836 -5.044 1.00 0.00 C ATOM 782 C ILE A 99 1.014 5.182 -5.165 1.00 0.00 C ATOM 783 O ILE A 99 -0.178 5.285 -4.878 1.00 0.00 O ATOM 784 CB ILE A 99 1.417 2.780 -6.121 1.00 0.00 C ATOM 785 CG1 ILE A 99 1.741 3.336 -7.519 1.00 0.00 C ATOM 786 CG2 ILE A 99 -0.022 2.255 -6.028 1.00 0.00 C ATOM 787 CD1 ILE A 99 1.699 2.273 -8.626 1.00 0.00 C ATOM 0 H ILE A 99 0.551 3.373 -3.402 1.00 0.00 H new ATOM 0 HA ILE A 99 2.801 4.070 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 99 2.049 1.912 -5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.032 4.128 -7.760 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.732 3.790 -7.500 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.191 1.517 -6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.178 1.792 -5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.720 3.083 -6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.937 2.736 -9.584 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.428 1.492 -8.409 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.702 1.835 -8.672 1.00 0.00 H new ATOM 799 N GLU A 100 1.754 6.234 -5.508 1.00 0.00 N ATOM 800 CA GLU A 100 1.378 7.653 -5.440 1.00 0.00 C ATOM 801 C GLU A 100 1.451 8.311 -6.802 1.00 0.00 C ATOM 802 O GLU A 100 2.480 8.334 -7.491 1.00 0.00 O ATOM 803 CB GLU A 100 2.288 8.391 -4.452 1.00 0.00 C ATOM 804 CG GLU A 100 2.360 9.933 -4.571 1.00 0.00 C ATOM 805 CD GLU A 100 1.061 10.663 -4.197 1.00 0.00 C ATOM 806 OE1 GLU A 100 0.455 10.301 -3.163 1.00 0.00 O ATOM 807 OE2 GLU A 100 0.688 11.629 -4.903 1.00 0.00 O ATOM 0 H GLU A 100 2.701 6.113 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 100 0.346 7.710 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.959 8.145 -3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.298 7.996 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 100 3.163 10.297 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.626 10.194 -5.595 1.00 0.00 H new ATOM 814 N MET A 101 0.306 8.870 -7.162 1.00 0.00 N ATOM 815 CA MET A 101 0.044 9.255 -8.536 1.00 0.00 C ATOM 816 C MET A 101 -0.556 10.648 -8.665 1.00 0.00 C ATOM 817 O MET A 101 -1.114 11.217 -7.735 1.00 0.00 O ATOM 818 CB MET A 101 -0.726 8.155 -9.265 1.00 0.00 C ATOM 819 CG MET A 101 -1.503 7.164 -8.404 1.00 0.00 C ATOM 820 SD MET A 101 -2.568 6.085 -9.387 1.00 0.00 S ATOM 821 CE MET A 101 -1.530 5.731 -10.822 1.00 0.00 C ATOM 0 H MET A 101 -0.459 9.067 -6.516 1.00 0.00 H new ATOM 0 HA MET A 101 1.001 9.349 -9.050 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.428 8.630 -9.951 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.018 7.592 -9.873 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.802 6.556 -7.833 1.00 0.00 H new ATOM 0 HG3 MET A 101 -2.111 7.711 -7.683 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.998 4.954 -11.427 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.414 6.635 -11.419 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.551 5.389 -10.487 1.00 0.00 H new ATOM 831 N ASN A 102 -0.379 11.216 -9.848 1.00 0.00 N ATOM 832 CA ASN A 102 -0.505 12.651 -10.114 1.00 0.00 C ATOM 833 C ASN A 102 -1.952 13.185 -10.056 1.00 0.00 C ATOM 834 O ASN A 102 -2.145 14.383 -9.842 1.00 0.00 O ATOM 835 CB ASN A 102 0.154 12.907 -11.479 1.00 0.00 C ATOM 836 CG ASN A 102 -0.747 12.658 -12.669 1.00 0.00 C ATOM 837 OD1 ASN A 102 -1.334 11.486 -12.773 1.00 0.00 O flip ATOM 838 ND2 ASN A 102 -0.889 13.496 -13.548 1.00 0.00 N flip ATOM 0 H ASN A 102 -0.136 10.678 -10.680 1.00 0.00 H new ATOM 0 HA ASN A 102 -0.003 13.205 -9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 102 0.501 13.940 -11.512 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.035 12.271 -11.567 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -0.433 14.404 -13.465 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -1.464 13.287 -14.364 1.00 0.00 H new ATOM 845 N THR A 103 -2.958 12.320 -10.248 1.00 0.00 N ATOM 846 CA THR A 103 -4.379 12.696 -10.314 1.00 0.00 C ATOM 847 C THR A 103 -5.255 11.744 -9.503 1.00 0.00 C ATOM 848 O THR A 103 -5.071 10.518 -9.485 1.00 0.00 O ATOM 849 CB THR A 103 -4.913 12.819 -11.761 1.00 0.00 C ATOM 850 OG1 THR A 103 -5.177 11.569 -12.353 1.00 0.00 O ATOM 851 CG2 THR A 103 -3.977 13.558 -12.721 1.00 0.00 C ATOM 0 H THR A 103 -2.804 11.318 -10.364 1.00 0.00 H new ATOM 0 HA THR A 103 -4.437 13.689 -9.868 1.00 0.00 H new ATOM 0 HB THR A 103 -5.828 13.396 -11.627 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.898 11.664 -13.010 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.430 13.598 -13.712 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.810 14.572 -12.357 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.025 13.031 -12.778 1.00 0.00 H new ATOM 859 N GLU A 104 -6.246 12.335 -8.831 1.00 0.00 N ATOM 860 CA GLU A 104 -7.265 11.590 -8.085 1.00 0.00 C ATOM 861 C GLU A 104 -8.052 10.645 -9.014 1.00 0.00 C ATOM 862 O GLU A 104 -8.423 9.552 -8.594 1.00 0.00 O ATOM 863 CB GLU A 104 -8.236 12.561 -7.394 1.00 0.00 C ATOM 864 CG GLU A 104 -7.572 13.379 -6.277 1.00 0.00 C ATOM 865 CD GLU A 104 -8.557 14.416 -5.698 1.00 0.00 C ATOM 866 OE1 GLU A 104 -9.299 14.087 -4.739 1.00 0.00 O ATOM 867 OE2 GLU A 104 -8.593 15.568 -6.194 1.00 0.00 O ATOM 0 H GLU A 104 -6.365 13.347 -8.788 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.755 10.990 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.651 13.241 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.070 11.997 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.232 12.712 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.690 13.887 -6.667 1.00 0.00 H new ATOM 874 N GLU A 105 -8.264 11.021 -10.282 1.00 0.00 N ATOM 875 CA GLU A 105 -9.003 10.206 -11.251 1.00 0.00 C ATOM 876 C GLU A 105 -8.223 8.998 -11.771 1.00 0.00 C ATOM 877 O GLU A 105 -8.806 7.916 -11.856 1.00 0.00 O ATOM 878 CB GLU A 105 -9.460 11.043 -12.455 1.00 0.00 C ATOM 879 CG GLU A 105 -10.582 12.037 -12.124 1.00 0.00 C ATOM 880 CD GLU A 105 -11.882 11.318 -11.715 1.00 0.00 C ATOM 881 OE1 GLU A 105 -12.619 10.839 -12.611 1.00 0.00 O ATOM 882 OE2 GLU A 105 -12.186 11.229 -10.500 1.00 0.00 O ATOM 0 H GLU A 105 -7.925 11.904 -10.665 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.863 9.833 -10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.605 11.592 -12.850 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.801 10.373 -13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.260 12.693 -11.315 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.774 12.670 -12.990 1.00 0.00 H new ATOM 889 N ALA A 106 -6.925 9.134 -12.074 1.00 0.00 N ATOM 890 CA ALA A 106 -6.074 7.980 -12.345 1.00 0.00 C ATOM 891 C ALA A 106 -6.148 7.007 -11.191 1.00 0.00 C ATOM 892 O ALA A 106 -6.421 5.836 -11.401 1.00 0.00 O ATOM 893 CB ALA A 106 -4.612 8.370 -12.538 1.00 0.00 C ATOM 0 H ALA A 106 -6.447 10.033 -12.136 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.440 7.529 -13.267 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.020 7.476 -12.737 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.527 9.057 -13.380 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.243 8.856 -11.635 1.00 0.00 H new ATOM 899 N ALA A 107 -5.935 7.474 -9.966 1.00 0.00 N ATOM 900 CA ALA A 107 -5.917 6.551 -8.846 1.00 0.00 C ATOM 901 C ALA A 107 -7.287 5.964 -8.497 1.00 0.00 C ATOM 902 O ALA A 107 -7.375 4.783 -8.186 1.00 0.00 O ATOM 903 CB ALA A 107 -5.311 7.277 -7.683 1.00 0.00 C ATOM 0 H ALA A 107 -5.778 8.454 -9.730 1.00 0.00 H new ATOM 0 HA ALA A 107 -5.322 5.680 -9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.279 6.615 -6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -4.299 7.591 -7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -5.914 8.154 -7.447 1.00 0.00 H new ATOM 909 N ASN A 108 -8.372 6.730 -8.617 1.00 0.00 N ATOM 910 CA ASN A 108 -9.725 6.195 -8.512 1.00 0.00 C ATOM 911 C ASN A 108 -9.972 5.108 -9.570 1.00 0.00 C ATOM 912 O ASN A 108 -10.414 4.011 -9.232 1.00 0.00 O ATOM 913 CB ASN A 108 -10.726 7.353 -8.592 1.00 0.00 C ATOM 914 CG ASN A 108 -12.157 6.858 -8.468 1.00 0.00 C ATOM 915 OD1 ASN A 108 -12.560 6.310 -7.450 1.00 0.00 O ATOM 916 ND2 ASN A 108 -12.965 7.010 -9.492 1.00 0.00 N ATOM 0 H ASN A 108 -8.335 7.735 -8.789 1.00 0.00 H new ATOM 0 HA ASN A 108 -9.860 5.703 -7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.518 8.071 -7.799 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -10.602 7.879 -9.539 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.926 6.672 -9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -12.632 7.466 -10.341 1.00 0.00 H new ATOM 923 N THR A 109 -9.609 5.345 -10.836 1.00 0.00 N ATOM 924 CA THR A 109 -9.680 4.293 -11.855 1.00 0.00 C ATOM 925 C THR A 109 -8.717 3.147 -11.538 1.00 0.00 C ATOM 926 O THR A 109 -9.058 1.998 -11.796 1.00 0.00 O ATOM 927 CB THR A 109 -9.514 4.856 -13.281 1.00 0.00 C ATOM 928 OG1 THR A 109 -10.517 4.309 -14.108 1.00 0.00 O ATOM 929 CG2 THR A 109 -8.181 4.566 -13.967 1.00 0.00 C ATOM 0 H THR A 109 -9.267 6.244 -11.176 1.00 0.00 H new ATOM 0 HA THR A 109 -10.683 3.867 -11.826 1.00 0.00 H new ATOM 0 HB THR A 109 -9.576 5.937 -13.154 1.00 0.00 H new ATOM 0 HG1 THR A 109 -10.421 4.663 -15.017 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.180 5.010 -14.962 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.369 4.992 -13.378 1.00 0.00 H new ATOM 0 HG23 THR A 109 -8.042 3.488 -14.051 1.00 0.00 H new ATOM 937 N MET A 110 -7.556 3.406 -10.920 1.00 0.00 N ATOM 938 CA MET A 110 -6.534 2.405 -10.639 1.00 0.00 C ATOM 939 C MET A 110 -6.980 1.455 -9.526 1.00 0.00 C ATOM 940 O MET A 110 -6.920 0.238 -9.661 1.00 0.00 O ATOM 941 CB MET A 110 -5.159 3.029 -10.299 1.00 0.00 C ATOM 942 CG MET A 110 -4.121 1.988 -10.740 1.00 0.00 C ATOM 943 SD MET A 110 -2.383 2.388 -10.512 1.00 0.00 S ATOM 944 CE MET A 110 -2.397 2.758 -8.758 1.00 0.00 C ATOM 0 H MET A 110 -7.302 4.340 -10.597 1.00 0.00 H new ATOM 0 HA MET A 110 -6.407 1.834 -11.559 1.00 0.00 H new ATOM 0 HB2 MET A 110 -5.016 3.974 -10.823 1.00 0.00 H new ATOM 0 HB3 MET A 110 -5.076 3.240 -9.233 1.00 0.00 H new ATOM 0 HG2 MET A 110 -4.325 1.063 -10.201 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.281 1.783 -11.798 1.00 0.00 H new ATOM 0 HE1 MET A 110 -1.389 3.013 -8.432 1.00 0.00 H new ATOM 0 HE2 MET A 110 -3.063 3.600 -8.569 1.00 0.00 H new ATOM 0 HE3 MET A 110 -2.748 1.887 -8.205 1.00 0.00 H new ATOM 954 N VAL A 111 -7.470 2.006 -8.417 1.00 0.00 N ATOM 955 CA VAL A 111 -7.994 1.251 -7.278 1.00 0.00 C ATOM 956 C VAL A 111 -9.221 0.435 -7.678 1.00 0.00 C ATOM 957 O VAL A 111 -9.342 -0.720 -7.279 1.00 0.00 O ATOM 958 CB VAL A 111 -8.275 2.209 -6.106 1.00 0.00 C ATOM 959 CG1 VAL A 111 -9.651 2.830 -6.102 1.00 0.00 C ATOM 960 CG2 VAL A 111 -8.108 1.504 -4.762 1.00 0.00 C ATOM 0 H VAL A 111 -7.515 3.016 -8.281 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.246 0.532 -6.946 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.543 3.004 -6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.751 3.488 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.792 3.407 -7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.405 2.044 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.313 2.207 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.804 0.668 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -7.087 1.134 -4.670 1.00 0.00 H new ATOM 970 N ASN A 112 -10.115 1.000 -8.501 1.00 0.00 N ATOM 971 CA ASN A 112 -11.305 0.309 -8.998 1.00 0.00 C ATOM 972 C ASN A 112 -10.908 -0.811 -9.970 1.00 0.00 C ATOM 973 O ASN A 112 -11.357 -1.944 -9.806 1.00 0.00 O ATOM 974 CB ASN A 112 -12.276 1.320 -9.630 1.00 0.00 C ATOM 975 CG ASN A 112 -13.106 2.061 -8.587 1.00 0.00 C ATOM 976 OD1 ASN A 112 -14.303 1.845 -8.458 1.00 0.00 O ATOM 977 ND2 ASN A 112 -12.517 2.928 -7.793 1.00 0.00 N ATOM 0 H ASN A 112 -10.029 1.958 -8.841 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.826 -0.164 -8.165 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -11.711 2.042 -10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.943 0.799 -10.317 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -13.058 3.414 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -11.519 3.115 -7.893 1.00 0.00 H new ATOM 984 N TYR A 113 -9.982 -0.535 -10.895 1.00 0.00 N ATOM 985 CA TYR A 113 -9.309 -1.526 -11.733 1.00 0.00 C ATOM 986 C TYR A 113 -8.735 -2.687 -10.912 1.00 0.00 C ATOM 987 O TYR A 113 -8.875 -3.837 -11.310 1.00 0.00 O ATOM 988 CB TYR A 113 -8.214 -0.829 -12.564 1.00 0.00 C ATOM 989 CG TYR A 113 -7.262 -1.764 -13.274 1.00 0.00 C ATOM 990 CD1 TYR A 113 -7.573 -2.200 -14.572 1.00 0.00 C ATOM 991 CD2 TYR A 113 -6.066 -2.178 -12.656 1.00 0.00 C ATOM 992 CE1 TYR A 113 -6.741 -3.129 -15.225 1.00 0.00 C ATOM 993 CE2 TYR A 113 -5.236 -3.112 -13.301 1.00 0.00 C ATOM 994 CZ TYR A 113 -5.572 -3.597 -14.583 1.00 0.00 C ATOM 995 OH TYR A 113 -4.761 -4.483 -15.223 1.00 0.00 O ATOM 0 H TYR A 113 -9.672 0.418 -11.085 1.00 0.00 H new ATOM 0 HA TYR A 113 -10.046 -1.966 -12.405 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -8.693 -0.190 -13.306 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -7.638 -0.178 -11.906 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -8.453 -1.822 -15.071 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -5.788 -1.780 -11.691 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -6.995 -3.483 -16.213 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -4.337 -3.460 -12.813 1.00 0.00 H new ATOM 0 HH TYR A 113 -4.000 -4.705 -14.647 1.00 0.00 H new ATOM 1005 N TYR A 114 -8.185 -2.455 -9.719 1.00 0.00 N ATOM 1006 CA TYR A 114 -7.564 -3.491 -8.901 1.00 0.00 C ATOM 1007 C TYR A 114 -8.524 -4.118 -7.900 1.00 0.00 C ATOM 1008 O TYR A 114 -8.253 -5.190 -7.358 1.00 0.00 O ATOM 1009 CB TYR A 114 -6.330 -2.926 -8.210 1.00 0.00 C ATOM 1010 CG TYR A 114 -5.128 -2.791 -9.107 1.00 0.00 C ATOM 1011 CD1 TYR A 114 -4.660 -3.925 -9.796 1.00 0.00 C ATOM 1012 CD2 TYR A 114 -4.442 -1.566 -9.182 1.00 0.00 C ATOM 1013 CE1 TYR A 114 -3.446 -3.857 -10.494 1.00 0.00 C ATOM 1014 CE2 TYR A 114 -3.257 -1.480 -9.939 1.00 0.00 C ATOM 1015 CZ TYR A 114 -2.757 -2.629 -10.591 1.00 0.00 C ATOM 1016 OH TYR A 114 -1.641 -2.557 -11.360 1.00 0.00 O ATOM 0 H TYR A 114 -8.159 -1.530 -9.291 1.00 0.00 H new ATOM 0 HA TYR A 114 -7.266 -4.301 -9.567 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -6.574 -1.947 -7.799 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -6.071 -3.570 -7.369 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -5.232 -4.841 -9.787 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -4.821 -0.698 -8.663 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -3.038 -4.743 -10.957 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -2.733 -0.539 -10.021 1.00 0.00 H new ATOM 0 HH TYR A 114 -1.516 -1.636 -11.670 1.00 0.00 H new ATOM 1026 N THR A 115 -9.690 -3.497 -7.748 1.00 0.00 N ATOM 1027 CA THR A 115 -10.844 -4.070 -7.071 1.00 0.00 C ATOM 1028 C THR A 115 -11.600 -5.021 -8.025 1.00 0.00 C ATOM 1029 O THR A 115 -12.330 -5.914 -7.597 1.00 0.00 O ATOM 1030 CB THR A 115 -11.701 -2.939 -6.467 1.00 0.00 C ATOM 1031 OG1 THR A 115 -10.934 -2.252 -5.499 1.00 0.00 O ATOM 1032 CG2 THR A 115 -12.967 -3.413 -5.755 1.00 0.00 C ATOM 0 H THR A 115 -9.861 -2.556 -8.103 1.00 0.00 H new ATOM 0 HA THR A 115 -10.537 -4.692 -6.230 1.00 0.00 H new ATOM 0 HB THR A 115 -12.001 -2.319 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 115 -10.301 -1.653 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 115 -13.507 -2.552 -5.362 1.00 0.00 H new ATOM 0 HG22 THR A 115 -13.602 -3.949 -6.460 1.00 0.00 H new ATOM 0 HG23 THR A 115 -12.696 -4.077 -4.934 1.00 0.00 H new ATOM 1040 N SER A 116 -11.343 -4.878 -9.333 1.00 0.00 N ATOM 1041 CA SER A 116 -11.744 -5.720 -10.460 1.00 0.00 C ATOM 1042 C SER A 116 -10.795 -6.905 -10.667 1.00 0.00 C ATOM 1043 O SER A 116 -11.212 -8.062 -10.635 1.00 0.00 O ATOM 1044 CB SER A 116 -11.705 -4.838 -11.724 1.00 0.00 C ATOM 1045 OG SER A 116 -12.968 -4.776 -12.364 1.00 0.00 O ATOM 0 H SER A 116 -10.790 -4.084 -9.657 1.00 0.00 H new ATOM 0 HA SER A 116 -12.736 -6.124 -10.261 1.00 0.00 H new ATOM 0 HB2 SER A 116 -11.385 -3.832 -11.455 1.00 0.00 H new ATOM 0 HB3 SER A 116 -10.964 -5.233 -12.420 1.00 0.00 H new ATOM 0 HG SER A 116 -12.904 -4.207 -13.159 1.00 0.00 H new ATOM 1051 N VAL A 117 -9.527 -6.596 -10.964 1.00 0.00 N ATOM 1052 CA VAL A 117 -8.626 -7.450 -11.754 1.00 0.00 C ATOM 1053 C VAL A 117 -7.953 -8.550 -10.917 1.00 0.00 C ATOM 1054 O VAL A 117 -7.889 -9.708 -11.324 1.00 0.00 O ATOM 1055 CB VAL A 117 -7.589 -6.544 -12.478 1.00 0.00 C ATOM 1056 CG1 VAL A 117 -6.376 -6.185 -11.663 1.00 0.00 C ATOM 1057 CG2 VAL A 117 -7.151 -7.099 -13.819 1.00 0.00 C ATOM 0 H VAL A 117 -9.088 -5.728 -10.657 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.218 -7.988 -12.495 1.00 0.00 H new ATOM 0 HB VAL A 117 -8.146 -5.621 -12.637 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.714 -5.552 -12.255 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -6.686 -5.648 -10.767 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.848 -7.094 -11.377 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -6.428 -6.422 -14.274 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.692 -8.077 -13.676 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.018 -7.197 -14.473 1.00 0.00 H new ATOM 1067 N THR A 118 -7.478 -8.134 -9.738 1.00 0.00 N ATOM 1068 CA THR A 118 -6.308 -8.590 -8.954 1.00 0.00 C ATOM 1069 C THR A 118 -5.069 -8.955 -9.800 1.00 0.00 C ATOM 1070 O THR A 118 -5.159 -9.822 -10.672 1.00 0.00 O ATOM 1071 CB THR A 118 -6.644 -9.713 -7.958 1.00 0.00 C ATOM 1072 OG1 THR A 118 -7.918 -9.526 -7.375 1.00 0.00 O ATOM 1073 CG2 THR A 118 -5.638 -9.654 -6.809 1.00 0.00 C ATOM 0 H THR A 118 -7.957 -7.380 -9.246 1.00 0.00 H new ATOM 0 HA THR A 118 -6.031 -7.707 -8.378 1.00 0.00 H new ATOM 0 HB THR A 118 -6.618 -10.658 -8.500 1.00 0.00 H new ATOM 0 HG1 THR A 118 -8.102 -10.257 -6.749 1.00 0.00 H new ATOM 0 HG21 THR A 118 -5.859 -10.443 -6.091 1.00 0.00 H new ATOM 0 HG22 THR A 118 -4.630 -9.792 -7.200 1.00 0.00 H new ATOM 0 HG23 THR A 118 -5.706 -8.685 -6.315 1.00 0.00 H new ATOM 1081 N PRO A 119 -3.890 -8.321 -9.603 1.00 0.00 N ATOM 1082 CA PRO A 119 -2.756 -8.529 -10.507 1.00 0.00 C ATOM 1083 C PRO A 119 -2.125 -9.920 -10.409 1.00 0.00 C ATOM 1084 O PRO A 119 -1.677 -10.455 -11.422 1.00 0.00 O ATOM 1085 CB PRO A 119 -1.728 -7.440 -10.173 1.00 0.00 C ATOM 1086 CG PRO A 119 -2.100 -6.937 -8.781 1.00 0.00 C ATOM 1087 CD PRO A 119 -3.549 -7.359 -8.560 1.00 0.00 C ATOM 0 HA PRO A 119 -3.109 -8.464 -11.536 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -0.714 -7.840 -10.187 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -1.762 -6.632 -10.904 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -1.447 -7.368 -8.022 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -1.994 -5.854 -8.715 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -3.672 -7.804 -7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -4.211 -6.494 -8.605 1.00 0.00 H new ATOM 1095 N VAL A 120 -2.134 -10.496 -9.203 1.00 0.00 N ATOM 1096 CA VAL A 120 -1.554 -11.787 -8.793 1.00 0.00 C ATOM 1097 C VAL A 120 -0.097 -11.927 -9.216 1.00 0.00 C ATOM 1098 O VAL A 120 0.274 -12.200 -10.356 1.00 0.00 O ATOM 1099 CB VAL A 120 -2.402 -12.987 -9.176 1.00 0.00 C ATOM 1100 CG1 VAL A 120 -1.969 -14.205 -8.353 1.00 0.00 C ATOM 1101 CG2 VAL A 120 -3.882 -12.685 -8.915 1.00 0.00 C ATOM 0 H VAL A 120 -2.587 -10.032 -8.415 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.560 -11.779 -7.703 1.00 0.00 H new ATOM 0 HB VAL A 120 -2.264 -13.200 -10.236 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.578 -15.066 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.920 -14.424 -8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -2.100 -13.993 -7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.484 -13.550 -9.192 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.027 -12.465 -7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -4.188 -11.824 -9.510 1.00 0.00 H new ATOM 1111 N LEU A 121 0.738 -11.660 -8.227 1.00 0.00 N ATOM 1112 CA LEU A 121 2.042 -11.030 -8.398 1.00 0.00 C ATOM 1113 C LEU A 121 3.101 -12.041 -7.960 1.00 0.00 C ATOM 1114 O LEU A 121 3.764 -12.664 -8.789 1.00 0.00 O ATOM 1115 CB LEU A 121 2.034 -9.697 -7.603 1.00 0.00 C ATOM 1116 CG LEU A 121 3.231 -8.757 -7.845 1.00 0.00 C ATOM 1117 CD1 LEU A 121 3.172 -7.602 -6.845 1.00 0.00 C ATOM 1118 CD2 LEU A 121 4.595 -9.442 -7.753 1.00 0.00 C ATOM 0 H LEU A 121 0.525 -11.880 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 121 2.274 -10.766 -9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 121 1.119 -9.157 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.992 -9.932 -6.539 1.00 0.00 H new ATOM 0 HG LEU A 121 3.141 -8.401 -8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 121 4.017 -6.933 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 121 2.241 -7.051 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.216 -7.997 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 121 5.382 -8.711 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 121 4.721 -9.870 -6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.655 -10.234 -8.499 1.00 0.00 H new ATOM 1130 N ARG A 122 3.203 -12.248 -6.641 1.00 0.00 N ATOM 1131 CA ARG A 122 4.043 -13.277 -6.024 1.00 0.00 C ATOM 1132 C ARG A 122 3.573 -14.689 -6.396 1.00 0.00 C ATOM 1133 O ARG A 122 4.400 -15.588 -6.556 1.00 0.00 O ATOM 1134 CB ARG A 122 4.062 -13.018 -4.504 1.00 0.00 C ATOM 1135 CG ARG A 122 5.198 -13.781 -3.823 1.00 0.00 C ATOM 1136 CD ARG A 122 4.771 -15.193 -3.378 1.00 0.00 C ATOM 1137 NE ARG A 122 5.933 -16.022 -2.995 1.00 0.00 N ATOM 1138 CZ ARG A 122 6.650 -16.820 -3.770 1.00 0.00 C ATOM 1139 NH1 ARG A 122 6.425 -16.953 -5.048 1.00 0.00 N ATOM 1140 NH2 ARG A 122 7.629 -17.517 -3.268 1.00 0.00 N ATOM 0 H ARG A 122 2.690 -11.690 -5.958 1.00 0.00 H new ATOM 0 HA ARG A 122 5.063 -13.218 -6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.175 -11.950 -4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.108 -13.318 -4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.042 -13.858 -4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.542 -13.218 -2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.085 -15.116 -2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.228 -15.680 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 122 6.216 -15.973 -2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.669 -16.429 -5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.005 -17.581 -5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.846 -17.449 -2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.179 -18.131 -3.869 1.00 0.00 H new ATOM 1154 N GLY A 123 2.257 -14.871 -6.532 1.00 0.00 N ATOM 1155 CA GLY A 123 1.619 -16.118 -6.966 1.00 0.00 C ATOM 1156 C GLY A 123 0.241 -16.419 -6.365 1.00 0.00 C ATOM 1157 O GLY A 123 -0.290 -17.503 -6.608 1.00 0.00 O ATOM 0 H GLY A 123 1.583 -14.130 -6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.521 -16.093 -8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.286 -16.946 -6.725 1.00 0.00 H new ATOM 1161 N GLN A 124 -0.335 -15.511 -5.567 1.00 0.00 N ATOM 1162 CA GLN A 124 -1.649 -15.651 -4.953 1.00 0.00 C ATOM 1163 C GLN A 124 -2.291 -14.282 -4.694 1.00 0.00 C ATOM 1164 O GLN A 124 -1.599 -13.276 -4.857 1.00 0.00 O ATOM 1165 CB GLN A 124 -1.510 -16.486 -3.661 1.00 0.00 C ATOM 1166 CG GLN A 124 -2.296 -17.796 -3.773 1.00 0.00 C ATOM 1167 CD GLN A 124 -1.758 -18.860 -2.826 1.00 0.00 C ATOM 1168 OE1 GLN A 124 -2.223 -19.031 -1.705 1.00 0.00 O ATOM 1169 NE2 GLN A 124 -0.751 -19.601 -3.234 1.00 0.00 N ATOM 0 H GLN A 124 0.122 -14.631 -5.327 1.00 0.00 H new ATOM 0 HA GLN A 124 -2.319 -16.174 -5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.458 -16.703 -3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -1.873 -15.910 -2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.347 -17.610 -3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.247 -18.163 -4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -0.361 -19.462 -4.166 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.360 -20.314 -2.618 1.00 0.00 H new ATOM 1178 N PRO A 125 -3.596 -14.212 -4.368 1.00 0.00 N ATOM 1179 CA PRO A 125 -4.351 -12.975 -4.270 1.00 0.00 C ATOM 1180 C PRO A 125 -3.677 -11.822 -3.520 1.00 0.00 C ATOM 1181 O PRO A 125 -3.508 -11.838 -2.296 1.00 0.00 O ATOM 1182 CB PRO A 125 -5.688 -13.380 -3.654 1.00 0.00 C ATOM 1183 CG PRO A 125 -5.934 -14.728 -4.310 1.00 0.00 C ATOM 1184 CD PRO A 125 -4.530 -15.330 -4.257 1.00 0.00 C ATOM 0 HA PRO A 125 -4.452 -12.537 -5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.632 -13.457 -2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -6.477 -12.664 -3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -6.662 -15.327 -3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -6.304 -14.630 -5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.376 -15.874 -3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -4.382 -16.042 -5.069 1.00 0.00 H new ATOM 1192 N ILE A 126 -3.302 -10.807 -4.296 1.00 0.00 N ATOM 1193 CA ILE A 126 -2.908 -9.478 -3.817 1.00 0.00 C ATOM 1194 C ILE A 126 -4.183 -8.744 -3.374 1.00 0.00 C ATOM 1195 O ILE A 126 -5.295 -9.140 -3.732 1.00 0.00 O ATOM 1196 CB ILE A 126 -2.146 -8.696 -4.927 1.00 0.00 C ATOM 1197 CG1 ILE A 126 -1.294 -9.575 -5.872 1.00 0.00 C ATOM 1198 CG2 ILE A 126 -1.200 -7.640 -4.349 1.00 0.00 C ATOM 1199 CD1 ILE A 126 -0.317 -10.532 -5.186 1.00 0.00 C ATOM 0 H ILE A 126 -3.262 -10.887 -5.312 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.223 -9.561 -2.973 1.00 0.00 H new ATOM 0 HB ILE A 126 -2.956 -8.242 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -1.967 -10.160 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -0.728 -8.921 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -0.692 -7.122 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -1.772 -6.921 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -0.461 -8.124 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 126 0.228 -11.099 -5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.388 -9.961 -4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.870 -11.219 -4.546 1.00 0.00 H new ATOM 1211 N TYR A 127 -4.046 -7.639 -2.650 1.00 0.00 N ATOM 1212 CA TYR A 127 -5.164 -6.732 -2.384 1.00 0.00 C ATOM 1213 C TYR A 127 -4.701 -5.280 -2.451 1.00 0.00 C ATOM 1214 O TYR A 127 -3.530 -4.978 -2.202 1.00 0.00 O ATOM 1215 CB TYR A 127 -5.774 -6.998 -1.005 1.00 0.00 C ATOM 1216 CG TYR A 127 -6.095 -8.435 -0.668 1.00 0.00 C ATOM 1217 CD1 TYR A 127 -7.325 -9.019 -1.028 1.00 0.00 C ATOM 1218 CD2 TYR A 127 -5.150 -9.176 0.056 1.00 0.00 C ATOM 1219 CE1 TYR A 127 -7.601 -10.352 -0.655 1.00 0.00 C ATOM 1220 CE2 TYR A 127 -5.443 -10.480 0.465 1.00 0.00 C ATOM 1221 CZ TYR A 127 -6.666 -11.083 0.110 1.00 0.00 C ATOM 1222 OH TYR A 127 -6.926 -12.352 0.519 1.00 0.00 O ATOM 0 H TYR A 127 -3.163 -7.345 -2.232 1.00 0.00 H new ATOM 0 HA TYR A 127 -5.921 -6.911 -3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.086 -6.618 -0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.692 -6.416 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -8.053 -8.450 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.193 -8.738 0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -8.530 -10.814 -0.955 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -4.727 -11.030 1.058 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.164 -12.692 1.033 1.00 0.00 H new ATOM 1232 N ILE A 128 -5.649 -4.387 -2.715 1.00 0.00 N ATOM 1233 CA ILE A 128 -5.464 -2.944 -2.754 1.00 0.00 C ATOM 1234 C ILE A 128 -6.562 -2.222 -1.949 1.00 0.00 C ATOM 1235 O ILE A 128 -7.696 -2.701 -1.848 1.00 0.00 O ATOM 1236 CB ILE A 128 -5.371 -2.515 -4.248 1.00 0.00 C ATOM 1237 CG1 ILE A 128 -3.953 -1.979 -4.516 1.00 0.00 C ATOM 1238 CG2 ILE A 128 -6.457 -1.510 -4.657 1.00 0.00 C ATOM 1239 CD1 ILE A 128 -3.684 -1.584 -5.973 1.00 0.00 C ATOM 0 H ILE A 128 -6.610 -4.664 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.535 -2.649 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 128 -5.556 -3.389 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -3.781 -1.110 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -3.230 -2.739 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -6.336 -1.252 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.440 -1.954 -4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -6.366 -0.609 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -2.662 -1.218 -6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.820 -2.453 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.379 -0.800 -6.272 1.00 0.00 H new ATOM 1251 N GLN A 129 -6.243 -1.031 -1.443 1.00 0.00 N ATOM 1252 CA GLN A 129 -7.198 0.040 -1.120 1.00 0.00 C ATOM 1253 C GLN A 129 -6.497 1.394 -1.289 1.00 0.00 C ATOM 1254 O GLN A 129 -5.270 1.449 -1.338 1.00 0.00 O ATOM 1255 CB GLN A 129 -7.710 -0.117 0.326 1.00 0.00 C ATOM 1256 CG GLN A 129 -9.092 0.513 0.567 1.00 0.00 C ATOM 1257 CD GLN A 129 -9.497 0.417 2.037 1.00 0.00 C ATOM 1258 OE1 GLN A 129 -10.298 -0.416 2.439 1.00 0.00 O ATOM 1259 NE2 GLN A 129 -8.954 1.257 2.893 1.00 0.00 N ATOM 0 H GLN A 129 -5.278 -0.772 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 129 -8.054 -0.018 -1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -7.757 -1.178 0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -6.990 0.337 1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.076 1.559 0.260 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -9.836 0.010 -0.051 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -8.285 1.955 2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.202 1.210 3.881 1.00 0.00 H new ATOM 1268 N PHE A 130 -7.232 2.506 -1.285 1.00 0.00 N ATOM 1269 CA PHE A 130 -6.607 3.796 -0.987 1.00 0.00 C ATOM 1270 C PHE A 130 -5.866 3.773 0.366 1.00 0.00 C ATOM 1271 O PHE A 130 -6.260 3.067 1.305 1.00 0.00 O ATOM 1272 CB PHE A 130 -7.638 4.915 -0.977 1.00 0.00 C ATOM 1273 CG PHE A 130 -8.154 5.363 -2.323 1.00 0.00 C ATOM 1274 CD1 PHE A 130 -7.275 5.950 -3.256 1.00 0.00 C ATOM 1275 CD2 PHE A 130 -9.531 5.285 -2.605 1.00 0.00 C ATOM 1276 CE1 PHE A 130 -7.780 6.461 -4.466 1.00 0.00 C ATOM 1277 CE2 PHE A 130 -10.034 5.823 -3.801 1.00 0.00 C ATOM 1278 CZ PHE A 130 -9.161 6.419 -4.728 1.00 0.00 C ATOM 0 H PHE A 130 -8.233 2.543 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 130 -5.881 3.983 -1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.488 4.592 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -7.201 5.778 -0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -6.218 6.007 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -10.200 4.812 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -7.106 6.886 -5.195 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -11.093 5.779 -4.009 1.00 0.00 H new ATOM 0 HZ PHE A 130 -9.551 6.844 -5.641 1.00 0.00 H new ATOM 1288 N SER A 131 -4.802 4.567 0.462 1.00 0.00 N ATOM 1289 CA SER A 131 -4.013 4.729 1.682 1.00 0.00 C ATOM 1290 C SER A 131 -4.778 5.476 2.788 1.00 0.00 C ATOM 1291 O SER A 131 -5.638 6.315 2.509 1.00 0.00 O ATOM 1292 CB SER A 131 -2.703 5.440 1.333 1.00 0.00 C ATOM 1293 OG SER A 131 -1.937 5.766 2.472 1.00 0.00 O ATOM 0 H SER A 131 -4.458 5.126 -0.319 1.00 0.00 H new ATOM 0 HA SER A 131 -3.799 3.740 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 131 -2.113 4.802 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 131 -2.926 6.351 0.778 1.00 0.00 H new ATOM 0 HG SER A 131 -1.866 4.981 3.054 1.00 0.00 H new ATOM 1299 N ASN A 132 -4.421 5.209 4.049 1.00 0.00 N ATOM 1300 CA ASN A 132 -4.827 5.989 5.222 1.00 0.00 C ATOM 1301 C ASN A 132 -4.320 7.447 5.156 1.00 0.00 C ATOM 1302 O ASN A 132 -4.930 8.351 5.731 1.00 0.00 O ATOM 1303 CB ASN A 132 -4.256 5.326 6.492 1.00 0.00 C ATOM 1304 CG ASN A 132 -4.750 3.913 6.755 1.00 0.00 C ATOM 1305 OD1 ASN A 132 -5.903 3.573 6.529 1.00 0.00 O ATOM 1306 ND2 ASN A 132 -3.904 3.052 7.284 1.00 0.00 N ATOM 0 H ASN A 132 -3.822 4.419 4.288 1.00 0.00 H new ATOM 0 HA ASN A 132 -5.917 6.009 5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -3.169 5.307 6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -4.505 5.948 7.352 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -4.211 2.105 7.504 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -2.942 3.333 7.473 1.00 0.00 H new ATOM 1313 N HIS A 133 -3.185 7.666 4.487 1.00 0.00 N ATOM 1314 CA HIS A 133 -2.466 8.935 4.382 1.00 0.00 C ATOM 1315 C HIS A 133 -2.852 9.701 3.098 1.00 0.00 C ATOM 1316 O HIS A 133 -3.624 9.215 2.263 1.00 0.00 O ATOM 1317 CB HIS A 133 -0.955 8.650 4.433 1.00 0.00 C ATOM 1318 CG HIS A 133 -0.549 7.686 5.526 1.00 0.00 C ATOM 1319 ND1 HIS A 133 -0.382 7.958 6.869 1.00 0.00 N ATOM 1320 CD2 HIS A 133 -0.356 6.342 5.359 1.00 0.00 C ATOM 1321 CE1 HIS A 133 -0.085 6.797 7.491 1.00 0.00 C ATOM 1322 NE2 HIS A 133 -0.036 5.794 6.604 1.00 0.00 N ATOM 0 H HIS A 133 -2.718 6.918 3.975 1.00 0.00 H new ATOM 0 HA HIS A 133 -2.743 9.576 5.219 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -0.639 8.247 3.471 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -0.423 9.590 4.575 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -0.468 8.873 7.312 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -0.437 5.800 4.428 1.00 0.00 H new ATOM 0 HE1 HIS A 133 0.088 6.692 8.552 1.00 0.00 H new ATOM 1330 N LYS A 134 -2.314 10.918 2.942 1.00 0.00 N ATOM 1331 CA LYS A 134 -2.590 11.832 1.822 1.00 0.00 C ATOM 1332 C LYS A 134 -1.294 12.443 1.277 1.00 0.00 C ATOM 1333 O LYS A 134 -0.565 13.105 2.016 1.00 0.00 O ATOM 1334 CB LYS A 134 -3.593 12.916 2.266 1.00 0.00 C ATOM 1335 CG LYS A 134 -4.970 12.325 2.633 1.00 0.00 C ATOM 1336 CD LYS A 134 -5.987 13.432 2.945 1.00 0.00 C ATOM 1337 CE LYS A 134 -7.414 12.882 3.085 1.00 0.00 C ATOM 1338 NZ LYS A 134 -7.582 11.980 4.256 1.00 0.00 N ATOM 0 H LYS A 134 -1.652 11.308 3.614 1.00 0.00 H new ATOM 0 HA LYS A 134 -3.040 11.267 1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -3.189 13.451 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -3.715 13.645 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -5.337 11.713 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -4.868 11.668 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -5.701 13.937 3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -5.963 14.180 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -8.111 13.716 3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -7.679 12.341 2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -8.522 11.536 4.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -6.850 11.242 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -7.492 12.530 5.134 1.00 0.00 H new ATOM 1352 N GLU A 135 -1.026 12.204 -0.008 1.00 0.00 N ATOM 1353 CA GLU A 135 0.146 12.639 -0.792 1.00 0.00 C ATOM 1354 C GLU A 135 1.500 12.156 -0.225 1.00 0.00 C ATOM 1355 O GLU A 135 2.134 12.827 0.593 1.00 0.00 O ATOM 1356 CB GLU A 135 0.142 14.157 -1.071 1.00 0.00 C ATOM 1357 CG GLU A 135 -0.974 14.621 -2.023 1.00 0.00 C ATOM 1358 CD GLU A 135 -2.349 14.707 -1.337 1.00 0.00 C ATOM 1359 OE1 GLU A 135 -2.601 15.691 -0.596 1.00 0.00 O ATOM 1360 OE2 GLU A 135 -3.193 13.808 -1.556 1.00 0.00 O ATOM 0 H GLU A 135 -1.671 11.658 -0.579 1.00 0.00 H new ATOM 0 HA GLU A 135 0.040 12.135 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.041 14.689 -0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.106 14.440 -1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -0.715 15.599 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.036 13.932 -2.865 1.00 0.00 H new ATOM 1367 N LEU A 136 1.951 10.981 -0.676 1.00 0.00 N ATOM 1368 CA LEU A 136 3.246 10.378 -0.324 1.00 0.00 C ATOM 1369 C LEU A 136 4.432 11.284 -0.710 1.00 0.00 C ATOM 1370 O LEU A 136 4.578 11.681 -1.871 1.00 0.00 O ATOM 1371 CB LEU A 136 3.344 9.012 -1.030 1.00 0.00 C ATOM 1372 CG LEU A 136 4.719 8.317 -1.031 1.00 0.00 C ATOM 1373 CD1 LEU A 136 5.179 7.989 0.378 1.00 0.00 C ATOM 1374 CD2 LEU A 136 4.675 7.018 -1.832 1.00 0.00 C ATOM 0 H LEU A 136 1.409 10.402 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 136 3.300 10.251 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.625 8.338 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.031 9.144 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 136 5.420 9.015 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.152 7.500 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.258 8.908 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 136 4.457 7.323 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 136 5.658 6.548 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.943 6.343 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.393 7.235 -2.862 1.00 0.00 H new ATOM 1386 N LYS A 137 5.325 11.527 0.255 1.00 0.00 N ATOM 1387 CA LYS A 137 6.630 12.180 0.089 1.00 0.00 C ATOM 1388 C LYS A 137 7.767 11.190 0.374 1.00 0.00 C ATOM 1389 O LYS A 137 7.949 10.748 1.511 1.00 0.00 O ATOM 1390 CB LYS A 137 6.714 13.430 0.989 1.00 0.00 C ATOM 1391 CG LYS A 137 5.652 14.508 0.698 1.00 0.00 C ATOM 1392 CD LYS A 137 5.744 15.100 -0.716 1.00 0.00 C ATOM 1393 CE LYS A 137 4.719 16.228 -0.882 1.00 0.00 C ATOM 1394 NZ LYS A 137 4.792 16.838 -2.234 1.00 0.00 N ATOM 0 H LYS A 137 5.149 11.260 1.224 1.00 0.00 H new ATOM 0 HA LYS A 137 6.739 12.508 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 137 6.620 13.118 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 137 7.703 13.875 0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 137 4.661 14.076 0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.755 15.312 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.749 15.482 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.563 14.322 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 137 3.716 15.837 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 137 4.894 16.994 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 4.085 17.597 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 5.742 17.233 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 4.600 16.112 -2.953 1.00 0.00 H new ATOM 1408 N THR A 138 8.515 10.839 -0.670 1.00 0.00 N ATOM 1409 CA THR A 138 9.758 10.043 -0.628 1.00 0.00 C ATOM 1410 C THR A 138 10.942 10.850 -1.169 1.00 0.00 C ATOM 1411 O THR A 138 10.768 11.873 -1.836 1.00 0.00 O ATOM 1412 CB THR A 138 9.626 8.729 -1.426 1.00 0.00 C ATOM 1413 OG1 THR A 138 9.090 8.947 -2.713 1.00 0.00 O ATOM 1414 CG2 THR A 138 8.698 7.740 -0.730 1.00 0.00 C ATOM 0 H THR A 138 8.265 11.112 -1.620 1.00 0.00 H new ATOM 0 HA THR A 138 9.938 9.794 0.418 1.00 0.00 H new ATOM 0 HB THR A 138 10.638 8.329 -1.495 1.00 0.00 H new ATOM 0 HG1 THR A 138 9.023 8.093 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 138 8.630 6.827 -1.321 1.00 0.00 H new ATOM 0 HG22 THR A 138 9.093 7.504 0.258 1.00 0.00 H new ATOM 0 HG23 THR A 138 7.706 8.181 -0.628 1.00 0.00 H new ATOM 1422 N ASP A 139 12.165 10.390 -0.898 1.00 0.00 N ATOM 1423 CA ASP A 139 13.390 10.957 -1.476 1.00 0.00 C ATOM 1424 C ASP A 139 13.434 10.778 -3.009 1.00 0.00 C ATOM 1425 O ASP A 139 12.786 9.889 -3.573 1.00 0.00 O ATOM 1426 CB ASP A 139 14.615 10.294 -0.831 1.00 0.00 C ATOM 1427 CG ASP A 139 14.691 10.567 0.679 1.00 0.00 C ATOM 1428 OD1 ASP A 139 15.142 11.670 1.071 1.00 0.00 O ATOM 1429 OD2 ASP A 139 14.300 9.677 1.475 1.00 0.00 O ATOM 0 H ASP A 139 12.337 9.608 -0.267 1.00 0.00 H new ATOM 0 HA ASP A 139 13.399 12.027 -1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 139 14.577 9.218 -1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 139 15.521 10.662 -1.312 1.00 0.00 H new ATOM 1434 N SER A 140 14.244 11.603 -3.682 1.00 0.00 N ATOM 1435 CA SER A 140 14.436 11.618 -5.146 1.00 0.00 C ATOM 1436 C SER A 140 13.130 11.647 -5.960 1.00 0.00 C ATOM 1437 O SER A 140 13.009 10.984 -6.996 1.00 0.00 O ATOM 1438 CB SER A 140 15.373 10.473 -5.567 1.00 0.00 C ATOM 1439 OG SER A 140 16.622 10.568 -4.892 1.00 0.00 O ATOM 0 H SER A 140 14.808 12.308 -3.208 1.00 0.00 H new ATOM 0 HA SER A 140 14.913 12.567 -5.390 1.00 0.00 H new ATOM 0 HB2 SER A 140 14.906 9.514 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 140 15.533 10.506 -6.645 1.00 0.00 H new ATOM 0 HG SER A 140 17.202 9.830 -5.172 1.00 0.00 H new ATOM 1445 N SER A 141 12.150 12.443 -5.518 1.00 0.00 N ATOM 1446 CA SER A 141 10.892 12.680 -6.248 1.00 0.00 C ATOM 1447 C SER A 141 11.148 13.338 -7.621 1.00 0.00 C ATOM 1448 O SER A 141 11.975 14.252 -7.711 1.00 0.00 O ATOM 1449 CB SER A 141 9.952 13.580 -5.436 1.00 0.00 C ATOM 1450 OG SER A 141 9.400 12.902 -4.321 1.00 0.00 O ATOM 0 H SER A 141 12.205 12.948 -4.634 1.00 0.00 H new ATOM 0 HA SER A 141 10.427 11.706 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 141 10.498 14.458 -5.092 1.00 0.00 H new ATOM 0 HB3 SER A 141 9.147 13.937 -6.078 1.00 0.00 H new ATOM 0 HG SER A 141 10.110 12.699 -3.677 1.00 0.00 H new ATOM 1456 N PRO A 142 10.429 12.946 -8.696 1.00 0.00 N ATOM 1457 CA PRO A 142 10.653 13.457 -10.058 1.00 0.00 C ATOM 1458 C PRO A 142 10.108 14.876 -10.314 1.00 0.00 C ATOM 1459 O PRO A 142 10.250 15.399 -11.420 1.00 0.00 O ATOM 1460 CB PRO A 142 9.981 12.428 -10.975 1.00 0.00 C ATOM 1461 CG PRO A 142 8.812 11.939 -10.127 1.00 0.00 C ATOM 1462 CD PRO A 142 9.407 11.908 -8.719 1.00 0.00 C ATOM 0 HA PRO A 142 11.722 13.568 -10.241 1.00 0.00 H new ATOM 0 HB2 PRO A 142 9.644 12.877 -11.909 1.00 0.00 H new ATOM 0 HB3 PRO A 142 10.659 11.616 -11.238 1.00 0.00 H new ATOM 0 HG2 PRO A 142 7.957 12.612 -10.190 1.00 0.00 H new ATOM 0 HG3 PRO A 142 8.467 10.954 -10.442 1.00 0.00 H new ATOM 0 HD2 PRO A 142 8.641 12.097 -7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 142 9.837 10.931 -8.498 1.00 0.00 H new ATOM 1470 N ASN A 143 9.503 15.523 -9.311 1.00 0.00 N ATOM 1471 CA ASN A 143 8.913 16.869 -9.374 1.00 0.00 C ATOM 1472 C ASN A 143 9.931 18.022 -9.592 1.00 0.00 C ATOM 1473 O ASN A 143 9.522 19.180 -9.704 1.00 0.00 O ATOM 1474 CB ASN A 143 8.080 17.090 -8.096 1.00 0.00 C ATOM 1475 CG ASN A 143 6.939 16.096 -7.949 1.00 0.00 C ATOM 1476 OD1 ASN A 143 6.159 15.859 -8.861 1.00 0.00 O ATOM 1477 ND2 ASN A 143 6.803 15.470 -6.799 1.00 0.00 N ATOM 0 H ASN A 143 9.406 15.103 -8.387 1.00 0.00 H new ATOM 0 HA ASN A 143 8.285 16.905 -10.264 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.733 17.016 -7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 143 7.674 18.102 -8.104 1.00 0.00 H new ATOM 0 HD21 ASN A 143 6.051 14.792 -6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.450 15.662 -6.034 1.00 0.00 H new ATOM 1484 N GLN A 144 11.232 17.716 -9.677 1.00 0.00 N ATOM 1485 CA GLN A 144 12.356 18.625 -9.939 1.00 0.00 C ATOM 1486 C GLN A 144 12.433 19.821 -8.970 1.00 0.00 C ATOM 1487 O GLN A 144 12.100 20.963 -9.301 1.00 0.00 O ATOM 1488 CB GLN A 144 12.377 19.028 -11.423 1.00 0.00 C ATOM 1489 CG GLN A 144 13.690 19.729 -11.807 1.00 0.00 C ATOM 1490 CD GLN A 144 13.697 20.143 -13.276 1.00 0.00 C ATOM 1491 OE1 GLN A 144 14.189 19.440 -14.149 1.00 0.00 O ATOM 1492 NE2 GLN A 144 13.154 21.294 -13.616 1.00 0.00 N ATOM 0 H GLN A 144 11.550 16.755 -9.555 1.00 0.00 H new ATOM 0 HA GLN A 144 13.275 18.076 -9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 144 12.244 18.141 -12.042 1.00 0.00 H new ATOM 0 HB3 GLN A 144 11.537 19.691 -11.631 1.00 0.00 H new ATOM 0 HG2 GLN A 144 13.830 20.609 -11.180 1.00 0.00 H new ATOM 0 HG3 GLN A 144 14.530 19.062 -11.612 1.00 0.00 H new ATOM 0 HE21 GLN A 144 12.739 21.893 -12.902 1.00 0.00 H new ATOM 0 HE22 GLN A 144 13.148 21.586 -14.593 1.00 0.00 H new ATOM 1501 N ALA A 145 12.943 19.545 -7.769 1.00 0.00 N ATOM 1502 CA ALA A 145 13.387 20.537 -6.790 1.00 0.00 C ATOM 1503 C ALA A 145 14.509 19.976 -5.895 1.00 0.00 C ATOM 1504 O ALA A 145 14.759 18.764 -5.882 1.00 0.00 O ATOM 1505 CB ALA A 145 12.171 20.981 -5.968 1.00 0.00 C ATOM 0 H ALA A 145 13.063 18.587 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 145 13.810 21.401 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 145 12.481 21.722 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 145 11.424 21.419 -6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 145 11.742 20.119 -5.457 1.00 0.00 H new ATOM 1511 N ARG A 146 15.173 20.847 -5.124 1.00 0.00 N ATOM 1512 CA ARG A 146 16.252 20.520 -4.172 1.00 0.00 C ATOM 1513 C ARG A 146 15.761 19.575 -3.062 1.00 0.00 C ATOM 1514 O ARG A 146 15.076 20.007 -2.132 1.00 0.00 O ATOM 1515 CB ARG A 146 16.842 21.833 -3.626 1.00 0.00 C ATOM 1516 CG ARG A 146 18.096 21.609 -2.763 1.00 0.00 C ATOM 1517 CD ARG A 146 18.696 22.933 -2.271 1.00 0.00 C ATOM 1518 NE ARG A 146 19.246 23.742 -3.378 1.00 0.00 N ATOM 1519 CZ ARG A 146 19.514 25.038 -3.368 1.00 0.00 C ATOM 1520 NH1 ARG A 146 19.327 25.779 -2.313 1.00 0.00 N ATOM 1521 NH2 ARG A 146 19.984 25.619 -4.436 1.00 0.00 N ATOM 1522 OXT ARG A 146 16.060 18.384 -3.113 1.00 0.00 O ATOM 0 H ARG A 146 14.966 21.846 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 146 17.044 19.974 -4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 146 17.093 22.488 -4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 146 16.086 22.347 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 146 17.840 20.986 -1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 146 18.842 21.065 -3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 146 17.929 23.506 -1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 146 19.485 22.726 -1.548 1.00 0.00 H new ATOM 0 HE ARG A 146 19.441 23.246 -4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 146 18.962 25.363 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 146 19.545 26.775 -2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 146 20.146 25.075 -5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 146 20.189 26.618 -4.425 1.00 0.00 H new TER 1536 ARG A 146 ATOM 1537 O5' C B 147 -7.526 -9.069 3.921 1.00 0.00 O ATOM 1538 C5' C B 147 -6.236 -9.602 3.667 1.00 0.00 C ATOM 1539 C4' C B 147 -5.478 -9.874 4.979 1.00 0.00 C ATOM 1540 O4' C B 147 -5.824 -11.160 5.499 1.00 0.00 O ATOM 1541 C3' C B 147 -3.962 -9.882 4.755 1.00 0.00 C ATOM 1542 O3' C B 147 -3.343 -9.510 5.981 1.00 0.00 O ATOM 1543 C2' C B 147 -3.742 -11.351 4.402 1.00 0.00 C ATOM 1544 O2' C B 147 -2.395 -11.790 4.474 1.00 0.00 O ATOM 1545 C1' C B 147 -4.693 -12.023 5.392 1.00 0.00 C ATOM 1546 N1 C B 147 -5.104 -13.375 4.933 1.00 0.00 N ATOM 1547 C2 C B 147 -4.861 -14.489 5.751 1.00 0.00 C ATOM 1548 O2 C B 147 -4.373 -14.378 6.879 1.00 0.00 O ATOM 1549 N3 C B 147 -5.162 -15.743 5.316 1.00 0.00 N ATOM 1550 C4 C B 147 -5.684 -15.880 4.115 1.00 0.00 C ATOM 1551 N4 C B 147 -5.957 -17.104 3.757 1.00 0.00 N ATOM 1552 C5 C B 147 -5.954 -14.791 3.242 1.00 0.00 C ATOM 1553 C6 C B 147 -5.649 -13.546 3.683 1.00 0.00 C ATOM 0 H5' C B 147 -5.666 -8.905 3.052 1.00 0.00 H new ATOM 0 H5'' C B 147 -6.327 -10.527 3.098 1.00 0.00 H new ATOM 0 H4' C B 147 -5.756 -9.080 5.672 1.00 0.00 H new ATOM 0 H3' C B 147 -3.563 -9.205 3.999 1.00 0.00 H new ATOM 0 H2' C B 147 -3.948 -11.590 3.359 1.00 0.00 H new ATOM 0 HO2' C B 147 -1.803 -11.015 4.574 1.00 0.00 H new ATOM 0 HO5' C B 147 -7.439 -8.180 4.324 1.00 0.00 H new ATOM 0 H1' C B 147 -4.204 -12.170 6.355 1.00 0.00 H new ATOM 0 H41 C B 147 -6.364 -17.288 2.840 1.00 0.00 H new ATOM 0 H42 C B 147 -5.764 -17.877 4.394 1.00 0.00 H new ATOM 0 H5 C B 147 -6.386 -14.950 2.265 1.00 0.00 H new ATOM 0 H6 C B 147 -5.834 -12.689 3.052 1.00 0.00 H new ATOM 1566 P U B 148 -1.923 -8.800 5.991 1.00 0.00 P ATOM 1567 OP1 U B 148 -1.148 -9.329 4.845 1.00 0.00 O ATOM 1568 OP2 U B 148 -1.364 -8.891 7.358 1.00 0.00 O ATOM 1569 O5' U B 148 -2.333 -7.271 5.716 1.00 0.00 O ATOM 1570 C5' U B 148 -1.467 -6.408 5.002 1.00 0.00 C ATOM 1571 C4' U B 148 -1.808 -4.923 5.198 1.00 0.00 C ATOM 1572 O4' U B 148 -3.100 -4.600 4.700 1.00 0.00 O ATOM 1573 C3' U B 148 -1.733 -4.481 6.662 1.00 0.00 C ATOM 1574 O3' U B 148 -1.127 -3.200 6.687 1.00 0.00 O ATOM 1575 C2' U B 148 -3.208 -4.462 7.066 1.00 0.00 C ATOM 1576 O2' U B 148 -3.537 -3.611 8.159 1.00 0.00 O ATOM 1577 C1' U B 148 -3.858 -4.028 5.755 1.00 0.00 C ATOM 1578 N1 U B 148 -5.274 -4.471 5.681 1.00 0.00 N ATOM 1579 C2 U B 148 -6.272 -3.505 5.520 1.00 0.00 C ATOM 1580 O2 U B 148 -6.046 -2.320 5.266 1.00 0.00 O ATOM 1581 N3 U B 148 -7.577 -3.939 5.612 1.00 0.00 N ATOM 1582 C4 U B 148 -7.979 -5.245 5.776 1.00 0.00 C ATOM 1583 O4 U B 148 -9.176 -5.516 5.825 1.00 0.00 O ATOM 1584 C5 U B 148 -6.894 -6.200 5.864 1.00 0.00 C ATOM 1585 C6 U B 148 -5.593 -5.805 5.815 1.00 0.00 C ATOM 0 H5' U B 148 -1.516 -6.650 3.940 1.00 0.00 H new ATOM 0 H5'' U B 148 -0.440 -6.585 5.322 1.00 0.00 H new ATOM 0 H4' U B 148 -1.049 -4.386 4.629 1.00 0.00 H new ATOM 0 H3' U B 148 -1.148 -5.108 7.335 1.00 0.00 H new ATOM 0 H2' U B 148 -3.547 -5.421 7.458 1.00 0.00 H new ATOM 0 HO2' U B 148 -2.724 -3.394 8.661 1.00 0.00 H new ATOM 0 H1' U B 148 -3.865 -2.940 5.682 1.00 0.00 H new ATOM 0 H3 U B 148 -8.308 -3.231 5.553 1.00 0.00 H new ATOM 0 H5 U B 148 -7.123 -7.250 5.971 1.00 0.00 H new ATOM 0 H6 U B 148 -4.806 -6.541 5.882 1.00 0.00 H new ATOM 1596 P C B 149 -0.290 -2.751 7.959 1.00 0.00 P ATOM 1597 OP1 C B 149 0.956 -3.548 7.977 1.00 0.00 O ATOM 1598 OP2 C B 149 -1.192 -2.767 9.132 1.00 0.00 O ATOM 1599 O5' C B 149 0.068 -1.239 7.615 1.00 0.00 O ATOM 1600 C5' C B 149 1.240 -0.917 6.883 1.00 0.00 C ATOM 1601 C4' C B 149 1.434 0.607 6.752 1.00 0.00 C ATOM 1602 O4' C B 149 0.772 1.103 5.597 1.00 0.00 O ATOM 1603 C3' C B 149 0.936 1.407 7.984 1.00 0.00 C ATOM 1604 O3' C B 149 1.860 2.404 8.377 1.00 0.00 O ATOM 1605 C2' C B 149 -0.391 2.004 7.481 1.00 0.00 C ATOM 1606 O2' C B 149 -0.791 3.248 8.044 1.00 0.00 O ATOM 1607 C1' C B 149 -0.227 2.044 5.962 1.00 0.00 C ATOM 1608 N1 C B 149 -1.514 1.688 5.304 1.00 0.00 N ATOM 1609 C2 C B 149 -2.191 2.648 4.545 1.00 0.00 C ATOM 1610 O2 C B 149 -1.760 3.786 4.384 1.00 0.00 O ATOM 1611 N3 C B 149 -3.368 2.358 3.944 1.00 0.00 N ATOM 1612 C4 C B 149 -3.834 1.136 4.020 1.00 0.00 C ATOM 1613 N4 C B 149 -4.933 0.906 3.356 1.00 0.00 N ATOM 1614 C5 C B 149 -3.162 0.104 4.719 1.00 0.00 C ATOM 1615 C6 C B 149 -2.023 0.413 5.382 1.00 0.00 C ATOM 0 H5' C B 149 1.182 -1.362 5.890 1.00 0.00 H new ATOM 0 H5'' C B 149 2.108 -1.353 7.377 1.00 0.00 H new ATOM 0 H4' C B 149 2.511 0.753 6.674 1.00 0.00 H new ATOM 0 H3' C B 149 0.817 0.795 8.878 1.00 0.00 H new ATOM 0 H2' C B 149 -1.224 1.383 7.810 1.00 0.00 H new ATOM 0 HO2' C B 149 -0.477 3.981 7.474 1.00 0.00 H new ATOM 0 H1' C B 149 0.063 3.045 5.644 1.00 0.00 H new ATOM 0 H41 C B 149 -5.352 -0.024 3.370 1.00 0.00 H new ATOM 0 H42 C B 149 -5.373 1.656 2.823 1.00 0.00 H new ATOM 0 H5 C B 149 -3.549 -0.904 4.723 1.00 0.00 H new ATOM 0 H6 C B 149 -1.516 -0.338 5.970 1.00 0.00 H new ATOM 1627 P U B 150 3.274 2.000 9.021 1.00 0.00 P ATOM 1628 OP1 U B 150 3.362 0.524 9.153 1.00 0.00 O ATOM 1629 OP2 U B 150 3.502 2.851 10.213 1.00 0.00 O ATOM 1630 O5' U B 150 4.290 2.441 7.864 1.00 0.00 O ATOM 1631 C5' U B 150 4.204 3.740 7.305 1.00 0.00 C ATOM 1632 C4' U B 150 5.540 4.138 6.679 1.00 0.00 C ATOM 1633 O4' U B 150 5.376 4.622 5.355 1.00 0.00 O ATOM 1634 C3' U B 150 6.200 5.297 7.423 1.00 0.00 C ATOM 1635 O3' U B 150 6.839 4.976 8.659 1.00 0.00 O ATOM 1636 C2' U B 150 7.171 5.796 6.353 1.00 0.00 C ATOM 1637 O2' U B 150 8.399 5.075 6.353 1.00 0.00 O ATOM 1638 C1' U B 150 6.451 5.515 5.042 1.00 0.00 C ATOM 1639 N1 U B 150 6.002 6.818 4.461 1.00 0.00 N ATOM 1640 C2 U B 150 6.947 7.675 3.871 1.00 0.00 C ATOM 1641 O2 U B 150 8.142 7.401 3.760 1.00 0.00 O ATOM 1642 N3 U B 150 6.483 8.889 3.395 1.00 0.00 N ATOM 1643 C4 U B 150 5.165 9.287 3.370 1.00 0.00 C ATOM 1644 O4 U B 150 4.856 10.370 2.886 1.00 0.00 O ATOM 1645 C5 U B 150 4.238 8.323 3.920 1.00 0.00 C ATOM 1646 C6 U B 150 4.674 7.165 4.479 1.00 0.00 C ATOM 0 H5' U B 150 3.928 4.458 8.077 1.00 0.00 H new ATOM 0 H5'' U B 150 3.418 3.767 6.550 1.00 0.00 H new ATOM 0 H4' U B 150 6.143 3.231 6.718 1.00 0.00 H new ATOM 0 H3' U B 150 5.476 6.029 7.781 1.00 0.00 H new ATOM 0 H2' U B 150 7.424 6.843 6.519 1.00 0.00 H new ATOM 0 HO2' U B 150 8.531 4.654 7.228 1.00 0.00 H new ATOM 0 H1' U B 150 7.081 5.044 4.288 1.00 0.00 H new ATOM 0 H3 U B 150 7.176 9.544 3.032 1.00 0.00 H new ATOM 0 H5 U B 150 3.178 8.528 3.885 1.00 0.00 H new ATOM 0 H6 U B 150 3.961 6.503 4.948 1.00 0.00 H new ATOM 1657 P C B 151 7.239 6.148 9.692 1.00 0.00 P ATOM 1658 OP1 C B 151 7.722 5.519 10.944 1.00 0.00 O ATOM 1659 OP2 C B 151 6.117 7.114 9.760 1.00 0.00 O ATOM 1660 O5' C B 151 8.484 6.881 8.976 1.00 0.00 O ATOM 1661 C5' C B 151 9.820 6.461 9.198 1.00 0.00 C ATOM 1662 C4' C B 151 10.777 7.122 8.197 1.00 0.00 C ATOM 1663 O4' C B 151 10.937 8.505 8.504 1.00 0.00 O ATOM 1664 C3' C B 151 12.198 6.550 8.255 1.00 0.00 C ATOM 1665 O3' C B 151 12.400 5.338 7.537 1.00 0.00 O ATOM 1666 C2' C B 151 12.993 7.694 7.605 1.00 0.00 C ATOM 1667 O2' C B 151 12.982 7.616 6.184 1.00 0.00 O ATOM 1668 C1' C B 151 12.197 8.943 8.006 1.00 0.00 C ATOM 1669 N1 C B 151 12.911 9.770 9.022 1.00 0.00 N ATOM 1670 C2 C B 151 13.375 11.045 8.657 1.00 0.00 C ATOM 1671 O2 C B 151 13.168 11.518 7.535 1.00 0.00 O ATOM 1672 N3 C B 151 14.071 11.807 9.541 1.00 0.00 N ATOM 1673 C4 C B 151 14.300 11.324 10.744 1.00 0.00 C ATOM 1674 N4 C B 151 14.968 12.105 11.549 1.00 0.00 N ATOM 1675 C5 C B 151 13.858 10.044 11.175 1.00 0.00 C ATOM 1676 C6 C B 151 13.165 9.291 10.286 1.00 0.00 C ATOM 0 H5' C B 151 9.884 5.377 9.107 1.00 0.00 H new ATOM 0 H5'' C B 151 10.120 6.713 10.215 1.00 0.00 H new ATOM 0 H4' C B 151 10.329 6.943 7.220 1.00 0.00 H new ATOM 0 H3' C B 151 12.480 6.271 9.270 1.00 0.00 H new ATOM 0 H2' C B 151 14.037 7.679 7.919 1.00 0.00 H new ATOM 0 HO2' C B 151 12.882 6.681 5.908 1.00 0.00 H new ATOM 0 H1' C B 151 12.070 9.585 7.135 1.00 0.00 H new ATOM 0 H41 C B 151 15.182 11.797 12.497 1.00 0.00 H new ATOM 0 H42 C B 151 15.276 13.024 11.230 1.00 0.00 H new ATOM 0 H5 C B 151 14.066 9.685 12.172 1.00 0.00 H new ATOM 0 H6 C B 151 12.811 8.311 10.571 1.00 0.00 H new ATOM 1688 P U B 152 12.813 3.972 8.277 1.00 0.00 P ATOM 1689 OP1 U B 152 13.743 4.288 9.387 1.00 0.00 O ATOM 1690 OP2 U B 152 13.240 3.000 7.242 1.00 0.00 O ATOM 1691 O5' U B 152 11.422 3.471 8.912 1.00 0.00 O ATOM 1692 C5' U B 152 10.400 2.900 8.108 1.00 0.00 C ATOM 1693 C4' U B 152 10.505 1.366 8.034 1.00 0.00 C ATOM 1694 O4' U B 152 10.251 0.777 9.309 1.00 0.00 O ATOM 1695 C3' U B 152 9.438 0.810 7.081 1.00 0.00 C ATOM 1696 O3' U B 152 9.837 -0.464 6.558 1.00 0.00 O ATOM 1697 C2' U B 152 8.244 0.666 8.032 1.00 0.00 C ATOM 1698 O2' U B 152 7.359 -0.322 7.535 1.00 0.00 O ATOM 1699 C1' U B 152 8.925 0.250 9.338 1.00 0.00 C ATOM 1700 N1 U B 152 8.175 0.682 10.557 1.00 0.00 N ATOM 1701 C2 U B 152 7.342 -0.250 11.194 1.00 0.00 C ATOM 1702 O2 U B 152 7.174 -1.405 10.794 1.00 0.00 O ATOM 1703 N3 U B 152 6.668 0.165 12.324 1.00 0.00 N ATOM 1704 C4 U B 152 6.733 1.423 12.879 1.00 0.00 C ATOM 1705 O4 U B 152 6.103 1.679 13.903 1.00 0.00 O ATOM 1706 C5 U B 152 7.597 2.339 12.170 1.00 0.00 C ATOM 1707 C6 U B 152 8.278 1.966 11.054 1.00 0.00 C ATOM 0 H5' U B 152 10.458 3.315 7.102 1.00 0.00 H new ATOM 0 H5'' U B 152 9.426 3.176 8.512 1.00 0.00 H new ATOM 0 H4' U B 152 11.512 1.129 7.691 1.00 0.00 H new ATOM 0 H3' U B 152 9.244 1.430 6.206 1.00 0.00 H new ATOM 0 H2' U B 152 7.632 1.560 8.152 1.00 0.00 H new ATOM 0 HO2' U B 152 7.805 -1.195 7.544 1.00 0.00 H new ATOM 0 HO3' U B 152 9.088 -0.867 6.072 1.00 0.00 H new ATOM 0 H1' U B 152 8.945 -0.838 9.406 1.00 0.00 H new ATOM 0 H3 U B 152 6.070 -0.519 12.788 1.00 0.00 H new ATOM 0 H5 U B 152 7.705 3.349 12.537 1.00 0.00 H new ATOM 0 H6 U B 152 8.908 2.684 10.549 1.00 0.00 H new TER 1719 U B 152