USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 950 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 1 MET CE :methyl -178:sc= -0.119 (180deg=-0.124) USER MOD Set 1.2: A 103 TYR OH : rot 151:sc= 0.847 USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0.274 USER MOD Set 2.2: A 18 SER OG : rot 59:sc= 0.284 USER MOD Single : A 1 MET N :NH3+ -152:sc= 0.711 (180deg=-0.259) USER MOD Single : A 10 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 83:sc= 1.05 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.5) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.3 K(o=1.3,f=-0.39) USER MOD Single : A 49 GLN : amide:sc= -0.0658 K(o=-0.066,f=-1.9!) USER MOD Single : A 51 HIS : no HE2:sc= 1.21 K(o=1.2,f=-3.7!) USER MOD Single : A 53 HIS : no HD1:sc= -0.485 X(o=-0.48,f=-0.26) USER MOD Single : A 58 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.5) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 127:sc=-0.00164 (180deg=-0.162) USER MOD Single : A 84 MET CE :methyl 177:sc= -2.38 (180deg=-2.43) USER MOD Single : A 87 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.039) USER MOD Single : A 90 LYS NZ :NH3+ 156:sc= 1.28 (180deg=1.17) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc=0.000268 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 105 SER OG : rot 70:sc= 1.3 USER MOD Single : A 107 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.54) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 7:sc= 0.172 USER MOD Single : A 113 TYR OH : rot 120:sc= -0.442 USER MOD Single : A 116 HIS : no HD1:sc= -0.594 X(o=-0.59,f=-0.33) USER MOD Single : A 118 HIS : no HD1:sc= -0.0937 X(o=-0.094,f=-0.046) USER MOD Single : A 119 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.11) USER MOD Single : A 121 HIS : no HD1:sc= -1.01 X(o=-1,f=-1) USER MOD Single : A 123 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.501 -9.238 -4.502 1.00 0.00 N ATOM 2 CA MET A 1 -4.525 -7.959 -3.774 1.00 0.00 C ATOM 3 C MET A 1 -3.224 -7.755 -3.009 1.00 0.00 C ATOM 4 O MET A 1 -2.655 -8.703 -2.465 1.00 0.00 O ATOM 5 CB MET A 1 -5.824 -7.804 -2.970 1.00 0.00 C ATOM 6 CG MET A 1 -5.867 -6.555 -2.078 1.00 0.00 C ATOM 7 SD MET A 1 -7.524 -5.938 -1.646 1.00 0.00 S ATOM 8 CE MET A 1 -8.396 -7.458 -1.163 1.00 0.00 C ATOM 0 H1 MET A 1 -5.108 -9.170 -5.344 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.526 -9.453 -4.795 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.851 -9.997 -3.883 1.00 0.00 H new ATOM 0 HA MET A 1 -4.557 -7.124 -4.474 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.665 -7.771 -3.663 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.959 -8.687 -2.346 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.331 -6.774 -1.155 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.323 -5.755 -2.581 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.430 -7.220 -0.911 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.378 -8.167 -1.991 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.904 -7.900 -0.297 1.00 0.00 H new ATOM 18 N ILE A 2 -2.713 -6.524 -3.023 1.00 0.00 N ATOM 19 CA ILE A 2 -1.542 -6.025 -2.303 1.00 0.00 C ATOM 20 C ILE A 2 -1.959 -4.625 -1.839 1.00 0.00 C ATOM 21 O ILE A 2 -2.760 -3.985 -2.531 1.00 0.00 O ATOM 22 CB ILE A 2 -0.294 -5.965 -3.215 1.00 0.00 C ATOM 23 CG1 ILE A 2 -0.086 -7.263 -4.024 1.00 0.00 C ATOM 24 CG2 ILE A 2 0.978 -5.640 -2.415 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.173 -7.235 -4.889 1.00 0.00 C ATOM 0 H ILE A 2 -3.143 -5.790 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.259 -6.675 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.482 -5.158 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.029 -8.107 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.954 -7.430 -4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.833 -5.606 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.863 -4.673 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.140 -6.410 -1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.262 -8.176 -5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.108 -6.411 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.048 -7.099 -4.254 1.00 0.00 H new ATOM 37 N ILE A 3 -1.473 -4.186 -0.680 1.00 0.00 N ATOM 38 CA ILE A 3 -1.970 -3.080 0.124 1.00 0.00 C ATOM 39 C ILE A 3 -0.756 -2.245 0.496 1.00 0.00 C ATOM 40 O ILE A 3 0.043 -2.662 1.331 1.00 0.00 O ATOM 41 CB ILE A 3 -2.686 -3.622 1.382 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.901 -4.494 1.010 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.140 -2.462 2.278 1.00 0.00 C ATOM 44 CD1 ILE A 3 -4.161 -5.599 2.040 1.00 0.00 C ATOM 0 H ILE A 3 -0.661 -4.629 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.697 -2.477 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.973 -4.243 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.786 -3.863 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.736 -4.944 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.643 -2.859 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.272 -1.879 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.828 -1.823 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.027 -6.186 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.288 -6.248 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.354 -5.150 3.014 1.00 0.00 H new ATOM 56 N ALA A 4 -0.576 -1.115 -0.177 1.00 0.00 N ATOM 57 CA ALA A 4 0.527 -0.209 0.147 1.00 0.00 C ATOM 58 C ALA A 4 0.188 0.643 1.349 1.00 0.00 C ATOM 59 O ALA A 4 -0.974 1.009 1.527 1.00 0.00 O ATOM 60 CB ALA A 4 0.866 0.747 -0.993 1.00 0.00 C ATOM 0 H ALA A 4 -1.172 -0.803 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 4 1.382 -0.855 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.691 1.393 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.156 0.174 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.006 1.357 -1.227 1.00 0.00 H new ATOM 66 N ILE A 5 1.226 1.094 2.050 1.00 0.00 N ATOM 67 CA ILE A 5 1.150 2.065 3.123 1.00 0.00 C ATOM 68 C ILE A 5 2.450 2.879 3.033 1.00 0.00 C ATOM 69 O ILE A 5 3.530 2.299 3.174 1.00 0.00 O ATOM 70 CB ILE A 5 0.965 1.363 4.489 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.338 0.529 4.498 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.929 2.418 5.612 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.655 -0.195 5.798 1.00 0.00 C ATOM 0 H ILE A 5 2.179 0.776 1.874 1.00 0.00 H new ATOM 0 HA ILE A 5 0.286 2.724 3.030 1.00 0.00 H new ATOM 0 HB ILE A 5 1.805 0.688 4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.171 1.190 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.279 -0.209 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.799 1.922 6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.865 2.977 5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.098 3.103 5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.589 -0.746 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.151 -0.890 6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.755 0.532 6.604 1.00 0.00 H new ATOM 85 N PRO A 6 2.395 4.190 2.746 1.00 0.00 N ATOM 86 CA PRO A 6 3.549 5.062 2.860 1.00 0.00 C ATOM 87 C PRO A 6 3.868 5.238 4.336 1.00 0.00 C ATOM 88 O PRO A 6 2.998 5.693 5.079 1.00 0.00 O ATOM 89 CB PRO A 6 3.139 6.377 2.194 1.00 0.00 C ATOM 90 CG PRO A 6 1.615 6.412 2.277 1.00 0.00 C ATOM 91 CD PRO A 6 1.206 4.943 2.389 1.00 0.00 C ATOM 0 HA PRO A 6 4.445 4.669 2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.581 7.232 2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.478 6.416 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.277 6.985 3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.180 6.879 1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.430 4.817 3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.794 4.586 1.445 1.00 0.00 H new ATOM 99 N VAL A 7 5.087 4.917 4.764 1.00 0.00 N ATOM 100 CA VAL A 7 5.502 5.049 6.156 1.00 0.00 C ATOM 101 C VAL A 7 6.678 6.006 6.269 1.00 0.00 C ATOM 102 O VAL A 7 7.374 6.265 5.283 1.00 0.00 O ATOM 103 CB VAL A 7 5.772 3.672 6.804 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.484 2.872 6.973 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.791 2.791 6.069 1.00 0.00 C ATOM 0 H VAL A 7 5.818 4.556 4.150 1.00 0.00 H new ATOM 0 HA VAL A 7 4.681 5.484 6.726 1.00 0.00 H new ATOM 0 HB VAL A 7 6.207 3.927 7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.711 1.909 7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.794 3.424 7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.026 2.710 5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.909 1.848 6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.438 2.593 5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.751 3.305 6.024 1.00 0.00 H new ATOM 115 N SER A 8 6.860 6.564 7.466 1.00 0.00 N ATOM 116 CA SER A 8 8.005 7.406 7.765 1.00 0.00 C ATOM 117 C SER A 8 9.265 6.586 8.039 1.00 0.00 C ATOM 118 O SER A 8 10.354 7.106 7.839 1.00 0.00 O ATOM 119 CB SER A 8 7.712 8.258 8.995 1.00 0.00 C ATOM 120 OG SER A 8 6.741 9.260 8.737 1.00 0.00 O ATOM 0 H SER A 8 6.217 6.442 8.249 1.00 0.00 H new ATOM 0 HA SER A 8 8.180 8.032 6.890 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.363 7.616 9.804 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.634 8.728 9.337 1.00 0.00 H new ATOM 0 HG SER A 8 6.583 9.780 9.552 1.00 0.00 H new ATOM 126 N GLU A 9 9.142 5.351 8.531 1.00 0.00 N ATOM 127 CA GLU A 9 10.273 4.558 8.990 1.00 0.00 C ATOM 128 C GLU A 9 9.973 3.088 8.746 1.00 0.00 C ATOM 129 O GLU A 9 8.817 2.669 8.825 1.00 0.00 O ATOM 130 CB GLU A 9 10.504 4.797 10.485 1.00 0.00 C ATOM 131 CG GLU A 9 11.209 6.118 10.807 1.00 0.00 C ATOM 132 CD GLU A 9 12.648 6.212 10.283 1.00 0.00 C ATOM 133 OE1 GLU A 9 13.283 5.159 10.039 1.00 0.00 O ATOM 134 OE2 GLU A 9 13.127 7.365 10.178 1.00 0.00 O ATOM 0 H GLU A 9 8.245 4.874 8.621 1.00 0.00 H new ATOM 0 HA GLU A 9 11.171 4.848 8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.542 4.777 10.998 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.096 3.975 10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.628 6.938 10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.219 6.256 11.888 1.00 0.00 H new ATOM 141 N ASN A 10 11.020 2.306 8.489 1.00 0.00 N ATOM 142 CA ASN A 10 10.996 0.917 8.038 1.00 0.00 C ATOM 143 C ASN A 10 10.810 -0.083 9.187 1.00 0.00 C ATOM 144 O ASN A 10 11.555 -1.058 9.334 1.00 0.00 O ATOM 145 CB ASN A 10 12.273 0.648 7.226 1.00 0.00 C ATOM 146 CG ASN A 10 13.565 0.581 8.032 1.00 0.00 C ATOM 147 OD1 ASN A 10 13.645 1.042 9.171 1.00 0.00 O ATOM 148 ND2 ASN A 10 14.595 0.000 7.450 1.00 0.00 N ATOM 0 H ASN A 10 11.974 2.651 8.598 1.00 0.00 H new ATOM 0 HA ASN A 10 10.123 0.768 7.402 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.150 -0.294 6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.375 1.430 6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.484 -0.076 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.503 -0.374 6.506 1.00 0.00 H new ATOM 155 N ARG A 11 9.878 0.183 10.096 1.00 0.00 N ATOM 156 CA ARG A 11 9.739 -0.515 11.380 1.00 0.00 C ATOM 157 C ARG A 11 8.841 -1.752 11.252 1.00 0.00 C ATOM 158 O ARG A 11 8.086 -2.082 12.166 1.00 0.00 O ATOM 159 CB ARG A 11 9.230 0.484 12.445 1.00 0.00 C ATOM 160 CG ARG A 11 10.038 1.793 12.451 1.00 0.00 C ATOM 161 CD ARG A 11 10.534 2.195 13.839 1.00 0.00 C ATOM 162 NE ARG A 11 11.397 3.397 13.827 1.00 0.00 N ATOM 163 CZ ARG A 11 12.567 3.573 13.189 1.00 0.00 C ATOM 164 NH1 ARG A 11 13.149 2.596 12.498 1.00 0.00 N ATOM 165 NH2 ARG A 11 13.146 4.759 13.255 1.00 0.00 N ATOM 0 H ARG A 11 9.176 0.910 9.961 1.00 0.00 H new ATOM 0 HA ARG A 11 10.712 -0.889 11.700 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.180 0.709 12.257 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.285 0.021 13.430 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.894 1.686 11.785 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.419 2.595 12.048 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.675 2.379 14.485 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.088 1.363 14.274 1.00 0.00 H new ATOM 0 HE ARG A 11 11.062 4.192 14.371 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.707 1.679 12.440 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.037 2.764 12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.705 5.513 13.781 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.034 4.920 12.780 1.00 0.00 H new ATOM 179 N GLY A 12 8.952 -2.506 10.161 1.00 0.00 N ATOM 180 CA GLY A 12 8.149 -3.690 9.881 1.00 0.00 C ATOM 181 C GLY A 12 6.650 -3.445 10.089 1.00 0.00 C ATOM 182 O GLY A 12 6.088 -2.489 9.557 1.00 0.00 O ATOM 0 H GLY A 12 9.627 -2.301 9.424 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.323 -4.008 8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.474 -4.506 10.526 1.00 0.00 H new ATOM 186 N LYS A 13 6.008 -4.273 10.912 1.00 0.00 N ATOM 187 CA LYS A 13 4.613 -4.140 11.340 1.00 0.00 C ATOM 188 C LYS A 13 4.354 -2.742 11.905 1.00 0.00 C ATOM 189 O LYS A 13 3.334 -2.121 11.614 1.00 0.00 O ATOM 190 CB LYS A 13 4.362 -5.157 12.464 1.00 0.00 C ATOM 191 CG LYS A 13 4.492 -6.626 12.051 1.00 0.00 C ATOM 192 CD LYS A 13 4.738 -7.544 13.259 1.00 0.00 C ATOM 193 CE LYS A 13 6.136 -7.282 13.840 1.00 0.00 C ATOM 194 NZ LYS A 13 6.609 -8.361 14.722 1.00 0.00 N ATOM 0 H LYS A 13 6.464 -5.091 11.317 1.00 0.00 H new ATOM 0 HA LYS A 13 3.958 -4.310 10.485 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.064 -4.960 13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.361 -4.995 12.863 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.584 -6.940 11.536 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.313 -6.732 11.342 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.979 -7.367 14.021 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.650 -8.588 12.957 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.844 -7.154 13.021 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.121 -6.346 14.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.556 -8.125 15.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.952 -8.469 15.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.653 -9.252 14.187 1.00 0.00 H new ATOM 208 N ASP A 14 5.276 -2.300 12.757 1.00 0.00 N ATOM 209 CA ASP A 14 5.213 -1.115 13.612 1.00 0.00 C ATOM 210 C ASP A 14 5.443 0.174 12.817 1.00 0.00 C ATOM 211 O ASP A 14 5.322 1.253 13.396 1.00 0.00 O ATOM 212 CB ASP A 14 6.220 -1.146 14.800 1.00 0.00 C ATOM 213 CG ASP A 14 6.914 -2.478 15.107 1.00 0.00 C ATOM 214 OD1 ASP A 14 6.280 -3.554 15.109 1.00 0.00 O ATOM 215 OD2 ASP A 14 8.161 -2.488 15.221 1.00 0.00 O ATOM 0 H ASP A 14 6.157 -2.800 12.878 1.00 0.00 H new ATOM 0 HA ASP A 14 4.203 -1.129 14.022 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.992 -0.402 14.605 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.690 -0.828 15.698 1.00 0.00 H new ATOM 220 N SER A 15 5.812 0.086 11.532 1.00 0.00 N ATOM 221 CA SER A 15 6.020 1.207 10.615 1.00 0.00 C ATOM 222 C SER A 15 4.853 2.201 10.688 1.00 0.00 C ATOM 223 O SER A 15 3.752 1.857 10.253 1.00 0.00 O ATOM 224 CB SER A 15 6.223 0.705 9.189 1.00 0.00 C ATOM 225 OG SER A 15 7.254 -0.243 9.083 1.00 0.00 O ATOM 0 H SER A 15 5.981 -0.815 11.085 1.00 0.00 H new ATOM 0 HA SER A 15 6.924 1.733 10.921 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.293 0.264 8.829 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.447 1.552 8.540 1.00 0.00 H new ATOM 0 HG SER A 15 6.908 -1.130 9.315 1.00 0.00 H new ATOM 231 N PRO A 16 5.047 3.407 11.250 1.00 0.00 N ATOM 232 CA PRO A 16 3.992 4.404 11.327 1.00 0.00 C ATOM 233 C PRO A 16 3.763 5.028 9.953 1.00 0.00 C ATOM 234 O PRO A 16 4.718 5.445 9.281 1.00 0.00 O ATOM 235 CB PRO A 16 4.480 5.429 12.345 1.00 0.00 C ATOM 236 CG PRO A 16 6.000 5.355 12.218 1.00 0.00 C ATOM 237 CD PRO A 16 6.261 3.891 11.894 1.00 0.00 C ATOM 0 HA PRO A 16 3.035 3.982 11.632 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.106 6.428 12.121 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.148 5.183 13.354 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.369 6.012 11.430 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.495 5.656 13.142 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.123 3.783 11.236 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.478 3.322 12.798 1.00 0.00 H new ATOM 245 N ILE A 17 2.496 5.102 9.553 1.00 0.00 N ATOM 246 CA ILE A 17 2.059 5.727 8.317 1.00 0.00 C ATOM 247 C ILE A 17 2.551 7.180 8.268 1.00 0.00 C ATOM 248 O ILE A 17 2.620 7.879 9.282 1.00 0.00 O ATOM 249 CB ILE A 17 0.532 5.550 8.197 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.016 5.800 6.768 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.206 6.425 9.215 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.409 5.272 6.551 1.00 0.00 C ATOM 0 H ILE A 17 1.726 4.716 10.099 1.00 0.00 H new ATOM 0 HA ILE A 17 2.496 5.251 7.439 1.00 0.00 H new ATOM 0 HB ILE A 17 0.319 4.506 8.426 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.038 6.870 6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.688 5.323 6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.281 6.280 9.108 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.099 6.146 10.224 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.038 7.473 9.039 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.720 5.476 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.430 4.197 6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.090 5.768 7.243 1.00 0.00 H new ATOM 264 N SER A 18 2.931 7.637 7.082 1.00 0.00 N ATOM 265 CA SER A 18 3.317 9.006 6.806 1.00 0.00 C ATOM 266 C SER A 18 2.066 9.798 6.393 1.00 0.00 C ATOM 267 O SER A 18 0.982 9.236 6.205 1.00 0.00 O ATOM 268 CB SER A 18 4.401 8.980 5.720 1.00 0.00 C ATOM 269 OG SER A 18 5.438 9.903 6.014 1.00 0.00 O ATOM 0 H SER A 18 2.979 7.038 6.258 1.00 0.00 H new ATOM 0 HA SER A 18 3.734 9.504 7.682 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.816 7.975 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.958 9.221 4.753 1.00 0.00 H new ATOM 0 HG SER A 18 5.836 9.682 6.882 1.00 0.00 H new ATOM 275 N GLU A 19 2.198 11.115 6.222 1.00 0.00 N ATOM 276 CA GLU A 19 1.095 11.916 5.690 1.00 0.00 C ATOM 277 C GLU A 19 1.148 11.893 4.168 1.00 0.00 C ATOM 278 O GLU A 19 0.143 11.717 3.474 1.00 0.00 O ATOM 279 CB GLU A 19 1.141 13.381 6.158 1.00 0.00 C ATOM 280 CG GLU A 19 0.875 13.584 7.653 1.00 0.00 C ATOM 281 CD GLU A 19 2.171 13.687 8.455 1.00 0.00 C ATOM 282 OE1 GLU A 19 2.755 14.782 8.527 1.00 0.00 O ATOM 283 OE2 GLU A 19 2.673 12.656 8.978 1.00 0.00 O ATOM 0 H GLU A 19 3.043 11.642 6.440 1.00 0.00 H new ATOM 0 HA GLU A 19 0.171 11.476 6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.121 13.794 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.406 13.953 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.286 14.490 7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.279 12.753 8.031 1.00 0.00 H new ATOM 290 N HIS A 20 2.345 12.146 3.654 1.00 0.00 N ATOM 291 CA HIS A 20 2.608 12.360 2.248 1.00 0.00 C ATOM 292 C HIS A 20 2.847 11.023 1.568 1.00 0.00 C ATOM 293 O HIS A 20 3.055 10.001 2.219 1.00 0.00 O ATOM 294 CB HIS A 20 3.828 13.296 2.160 1.00 0.00 C ATOM 295 CG HIS A 20 3.617 14.596 2.907 1.00 0.00 C ATOM 296 ND1 HIS A 20 4.076 14.891 4.180 1.00 0.00 N ATOM 297 CD2 HIS A 20 2.788 15.609 2.511 1.00 0.00 C ATOM 298 CE1 HIS A 20 3.527 16.067 4.542 1.00 0.00 C ATOM 299 NE2 HIS A 20 2.750 16.523 3.543 1.00 0.00 N ATOM 0 H HIS A 20 3.185 12.209 4.230 1.00 0.00 H new ATOM 0 HA HIS A 20 1.765 12.822 1.735 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.703 12.786 2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 20 4.041 13.513 1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.263 15.680 1.570 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.686 16.566 5.487 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.223 17.396 3.548 1.00 0.00 H new ATOM 308 N PHE A 21 2.821 11.044 0.242 1.00 0.00 N ATOM 309 CA PHE A 21 3.124 9.892 -0.593 1.00 0.00 C ATOM 310 C PHE A 21 4.318 10.196 -1.483 1.00 0.00 C ATOM 311 O PHE A 21 5.276 9.448 -1.498 1.00 0.00 O ATOM 312 CB PHE A 21 1.901 9.504 -1.417 1.00 0.00 C ATOM 313 CG PHE A 21 2.210 8.493 -2.506 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.637 8.932 -3.777 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.156 7.117 -2.229 1.00 0.00 C ATOM 316 CE1 PHE A 21 3.012 8.006 -4.762 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.544 6.197 -3.215 1.00 0.00 C ATOM 318 CZ PHE A 21 2.976 6.634 -4.476 1.00 0.00 C ATOM 0 H PHE A 21 2.584 11.880 -0.293 1.00 0.00 H new ATOM 0 HA PHE A 21 3.382 9.044 0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.140 9.093 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.478 10.400 -1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.676 9.989 -3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.818 6.769 -1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.327 8.349 -5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.510 5.139 -3.000 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.280 5.916 -5.224 1.00 0.00 H new ATOM 328 N GLY A 22 4.261 11.324 -2.220 1.00 0.00 N ATOM 329 CA GLY A 22 5.268 11.648 -3.229 1.00 0.00 C ATOM 330 C GLY A 22 6.679 11.788 -2.663 1.00 0.00 C ATOM 331 O GLY A 22 7.633 11.738 -3.427 1.00 0.00 O ATOM 0 H GLY A 22 3.523 12.022 -2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.268 10.871 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.989 12.579 -3.722 1.00 0.00 H new ATOM 335 N ARG A 23 6.800 11.962 -1.344 1.00 0.00 N ATOM 336 CA ARG A 23 8.042 11.938 -0.581 1.00 0.00 C ATOM 337 C ARG A 23 7.834 11.193 0.741 1.00 0.00 C ATOM 338 O ARG A 23 8.330 11.618 1.783 1.00 0.00 O ATOM 339 CB ARG A 23 8.546 13.381 -0.417 1.00 0.00 C ATOM 340 CG ARG A 23 7.583 14.392 0.242 1.00 0.00 C ATOM 341 CD ARG A 23 7.933 14.659 1.708 1.00 0.00 C ATOM 342 NE ARG A 23 7.392 15.930 2.211 1.00 0.00 N ATOM 343 CZ ARG A 23 7.621 16.374 3.453 1.00 0.00 C ATOM 344 NH1 ARG A 23 8.245 15.599 4.333 1.00 0.00 N ATOM 345 NH2 ARG A 23 7.230 17.589 3.817 1.00 0.00 N ATOM 0 H ARG A 23 5.987 12.132 -0.752 1.00 0.00 H new ATOM 0 HA ARG A 23 8.820 11.385 -1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.463 13.354 0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.812 13.761 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.610 15.330 -0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.563 14.013 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.552 13.842 2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.017 14.663 1.821 1.00 0.00 H new ATOM 0 HE ARG A 23 6.818 16.497 1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.550 14.664 4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.419 15.939 5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.751 18.192 3.148 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.408 17.919 4.765 1.00 0.00 H new ATOM 359 N ALA A 24 7.066 10.103 0.719 1.00 0.00 N ATOM 360 CA ALA A 24 7.127 9.108 1.778 1.00 0.00 C ATOM 361 C ALA A 24 8.499 8.436 1.639 1.00 0.00 C ATOM 362 O ALA A 24 8.840 8.053 0.519 1.00 0.00 O ATOM 363 CB ALA A 24 6.033 8.062 1.569 1.00 0.00 C ATOM 0 H ALA A 24 6.397 9.891 -0.021 1.00 0.00 H new ATOM 0 HA ALA A 24 6.987 9.559 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.083 7.319 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.057 8.547 1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.177 7.572 0.606 1.00 0.00 H new ATOM 369 N PRO A 25 9.297 8.291 2.698 1.00 0.00 N ATOM 370 CA PRO A 25 10.601 7.645 2.586 1.00 0.00 C ATOM 371 C PRO A 25 10.534 6.130 2.331 1.00 0.00 C ATOM 372 O PRO A 25 11.518 5.557 1.861 1.00 0.00 O ATOM 373 CB PRO A 25 11.318 7.982 3.889 1.00 0.00 C ATOM 374 CG PRO A 25 10.199 8.295 4.879 1.00 0.00 C ATOM 375 CD PRO A 25 9.102 8.886 4.009 1.00 0.00 C ATOM 0 HA PRO A 25 11.135 8.013 1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.928 7.147 4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.986 8.834 3.764 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.860 7.398 5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.526 8.999 5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.114 8.651 4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.177 9.972 3.964 1.00 0.00 H new ATOM 383 N TYR A 26 9.395 5.479 2.588 1.00 0.00 N ATOM 384 CA TYR A 26 9.247 4.027 2.557 1.00 0.00 C ATOM 385 C TYR A 26 7.831 3.664 2.075 1.00 0.00 C ATOM 386 O TYR A 26 6.904 4.468 2.229 1.00 0.00 O ATOM 387 CB TYR A 26 9.500 3.505 3.980 1.00 0.00 C ATOM 388 CG TYR A 26 10.882 3.748 4.551 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.952 2.914 4.194 1.00 0.00 C ATOM 390 CD2 TYR A 26 11.098 4.804 5.449 1.00 0.00 C ATOM 391 CE1 TYR A 26 13.253 3.198 4.642 1.00 0.00 C ATOM 392 CE2 TYR A 26 12.393 5.101 5.903 1.00 0.00 C ATOM 393 CZ TYR A 26 13.486 4.328 5.459 1.00 0.00 C ATOM 394 OH TYR A 26 14.746 4.697 5.815 1.00 0.00 O ATOM 0 H TYR A 26 8.530 5.963 2.829 1.00 0.00 H new ATOM 0 HA TYR A 26 9.958 3.571 1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.769 3.963 4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.311 2.432 3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 26 11.775 2.049 3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.261 5.393 5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.074 2.554 4.363 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.552 5.919 6.590 1.00 0.00 H new ATOM 0 HH TYR A 26 14.706 5.498 6.378 1.00 0.00 H new ATOM 404 N PHE A 27 7.647 2.457 1.526 1.00 0.00 N ATOM 405 CA PHE A 27 6.363 1.883 1.117 1.00 0.00 C ATOM 406 C PHE A 27 6.273 0.440 1.612 1.00 0.00 C ATOM 407 O PHE A 27 6.889 -0.458 1.032 1.00 0.00 O ATOM 408 CB PHE A 27 6.180 1.866 -0.410 1.00 0.00 C ATOM 409 CG PHE A 27 6.036 3.205 -1.100 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.251 4.224 -0.540 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.598 3.398 -2.371 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.033 5.417 -1.241 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.320 4.559 -3.112 1.00 0.00 C ATOM 414 CZ PHE A 27 5.543 5.579 -2.539 1.00 0.00 C ATOM 0 H PHE A 27 8.428 1.825 1.347 1.00 0.00 H new ATOM 0 HA PHE A 27 5.585 2.511 1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.034 1.350 -0.848 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.296 1.270 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.812 4.088 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.252 2.645 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.470 6.216 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.702 4.666 -4.117 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.339 6.483 -3.094 1.00 0.00 H new ATOM 424 N ALA A 28 5.464 0.204 2.638 1.00 0.00 N ATOM 425 CA ALA A 28 5.076 -1.119 3.088 1.00 0.00 C ATOM 426 C ALA A 28 3.930 -1.613 2.217 1.00 0.00 C ATOM 427 O ALA A 28 2.792 -1.192 2.405 1.00 0.00 O ATOM 428 CB ALA A 28 4.677 -1.037 4.562 1.00 0.00 C ATOM 0 H ALA A 28 5.050 0.953 3.193 1.00 0.00 H new ATOM 0 HA ALA A 28 5.900 -1.827 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.382 -2.025 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.523 -0.680 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.840 -0.347 4.675 1.00 0.00 H new ATOM 434 N PHE A 29 4.236 -2.466 1.242 1.00 0.00 N ATOM 435 CA PHE A 29 3.241 -3.239 0.507 1.00 0.00 C ATOM 436 C PHE A 29 3.036 -4.560 1.247 1.00 0.00 C ATOM 437 O PHE A 29 3.860 -5.466 1.157 1.00 0.00 O ATOM 438 CB PHE A 29 3.673 -3.460 -0.952 1.00 0.00 C ATOM 439 CG PHE A 29 3.145 -2.437 -1.954 1.00 0.00 C ATOM 440 CD1 PHE A 29 1.759 -2.248 -2.154 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.040 -1.727 -2.773 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.281 -1.324 -3.095 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.555 -0.860 -3.762 1.00 0.00 C ATOM 444 CZ PHE A 29 2.180 -0.627 -3.908 1.00 0.00 C ATOM 0 H PHE A 29 5.194 -2.641 0.938 1.00 0.00 H new ATOM 0 HA PHE A 29 2.298 -2.695 0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.762 -3.457 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.345 -4.452 -1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.055 -2.825 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.105 -1.850 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.219 -1.151 -3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.251 -0.364 -4.422 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.820 0.082 -4.639 1.00 0.00 H new ATOM 454 N VAL A 30 1.962 -4.665 2.019 1.00 0.00 N ATOM 455 CA VAL A 30 1.505 -5.926 2.596 1.00 0.00 C ATOM 456 C VAL A 30 0.689 -6.638 1.515 1.00 0.00 C ATOM 457 O VAL A 30 0.157 -5.991 0.611 1.00 0.00 O ATOM 458 CB VAL A 30 0.716 -5.645 3.899 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.523 -6.925 4.722 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.478 -4.624 4.769 1.00 0.00 C ATOM 0 H VAL A 30 1.375 -3.868 2.266 1.00 0.00 H new ATOM 0 HA VAL A 30 2.327 -6.579 2.889 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.259 -5.252 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.034 -6.693 5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.031 -7.656 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.497 -7.336 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.915 -4.433 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.459 -5.024 5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.598 -3.693 4.216 1.00 0.00 H new ATOM 470 N LYS A 31 0.595 -7.964 1.562 1.00 0.00 N ATOM 471 CA LYS A 31 -0.197 -8.734 0.603 1.00 0.00 C ATOM 472 C LYS A 31 -1.506 -9.149 1.276 1.00 0.00 C ATOM 473 O LYS A 31 -1.892 -8.574 2.294 1.00 0.00 O ATOM 474 CB LYS A 31 0.658 -9.874 0.023 1.00 0.00 C ATOM 475 CG LYS A 31 1.943 -9.347 -0.639 1.00 0.00 C ATOM 476 CD LYS A 31 2.607 -10.358 -1.591 1.00 0.00 C ATOM 477 CE LYS A 31 1.971 -10.235 -2.982 1.00 0.00 C ATOM 478 NZ LYS A 31 2.574 -11.130 -3.988 1.00 0.00 N ATOM 0 H LYS A 31 1.064 -8.536 2.264 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.489 -8.146 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.919 -10.573 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.073 -10.430 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.709 -8.438 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.655 -9.071 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.679 -10.170 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.482 -11.371 -1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.906 -10.453 -2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.062 -9.204 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.098 -10.995 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.585 -10.908 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.465 -12.118 -3.683 1.00 0.00 H new ATOM 492 N VAL A 32 -2.232 -10.103 0.693 1.00 0.00 N ATOM 493 CA VAL A 32 -3.283 -10.814 1.404 1.00 0.00 C ATOM 494 C VAL A 32 -3.376 -12.242 0.861 1.00 0.00 C ATOM 495 O VAL A 32 -3.377 -12.469 -0.355 1.00 0.00 O ATOM 496 CB VAL A 32 -4.604 -10.008 1.363 1.00 0.00 C ATOM 497 CG1 VAL A 32 -5.080 -9.711 -0.063 1.00 0.00 C ATOM 498 CG2 VAL A 32 -5.747 -10.664 2.150 1.00 0.00 C ATOM 0 H VAL A 32 -2.107 -10.399 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.050 -10.907 2.465 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.352 -9.067 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.010 -9.144 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.321 -9.129 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.248 -10.648 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.641 -10.045 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.954 -11.651 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.458 -10.763 3.196 1.00 0.00 H new ATOM 508 N LYS A 33 -3.427 -13.211 1.775 1.00 0.00 N ATOM 509 CA LYS A 33 -3.709 -14.616 1.550 1.00 0.00 C ATOM 510 C LYS A 33 -5.156 -14.793 1.946 1.00 0.00 C ATOM 511 O LYS A 33 -5.430 -15.118 3.099 1.00 0.00 O ATOM 512 CB LYS A 33 -2.788 -15.493 2.422 1.00 0.00 C ATOM 513 CG LYS A 33 -2.852 -16.989 2.093 1.00 0.00 C ATOM 514 CD LYS A 33 -3.588 -17.870 3.113 1.00 0.00 C ATOM 515 CE LYS A 33 -4.945 -18.338 2.585 1.00 0.00 C ATOM 516 NZ LYS A 33 -5.311 -19.668 3.111 1.00 0.00 N ATOM 0 H LYS A 33 -3.259 -13.013 2.761 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.534 -14.913 0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.760 -15.150 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.054 -15.351 3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.336 -17.108 1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.833 -17.362 1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.973 -18.737 3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.731 -17.313 4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.712 -17.614 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.918 -18.373 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.237 -19.949 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.593 -20.364 2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.362 -19.629 4.149 1.00 0.00 H new ATOM 530 N ASN A 34 -6.082 -14.567 1.019 1.00 0.00 N ATOM 531 CA ASN A 34 -7.512 -14.797 1.188 1.00 0.00 C ATOM 532 C ASN A 34 -8.108 -13.772 2.159 1.00 0.00 C ATOM 533 O ASN A 34 -8.695 -12.797 1.693 1.00 0.00 O ATOM 534 CB ASN A 34 -7.719 -16.279 1.546 1.00 0.00 C ATOM 535 CG ASN A 34 -9.088 -16.851 1.255 1.00 0.00 C ATOM 536 OD1 ASN A 34 -9.588 -17.618 2.073 1.00 0.00 O ATOM 537 ND2 ASN A 34 -9.607 -16.683 0.053 1.00 0.00 N ATOM 0 H ASN A 34 -5.847 -14.205 0.095 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.072 -14.630 0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.979 -16.869 1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.513 -16.407 2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.445 -17.197 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.170 -16.039 -0.606 1.00 0.00 H new ATOM 544 N ASN A 35 -7.874 -13.906 3.468 1.00 0.00 N ATOM 545 CA ASN A 35 -8.195 -12.902 4.488 1.00 0.00 C ATOM 546 C ASN A 35 -7.067 -12.742 5.521 1.00 0.00 C ATOM 547 O ASN A 35 -7.289 -12.234 6.624 1.00 0.00 O ATOM 548 CB ASN A 35 -9.485 -13.293 5.213 1.00 0.00 C ATOM 549 CG ASN A 35 -10.145 -12.109 5.917 1.00 0.00 C ATOM 550 OD1 ASN A 35 -9.821 -10.945 5.689 1.00 0.00 O ATOM 551 ND2 ASN A 35 -11.102 -12.372 6.787 1.00 0.00 N ATOM 0 H ASN A 35 -7.442 -14.743 3.860 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.320 -11.949 3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.185 -13.721 4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.265 -14.070 5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.574 -11.609 7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.369 -13.338 6.975 1.00 0.00 H new ATOM 558 N ALA A 36 -5.866 -13.246 5.231 1.00 0.00 N ATOM 559 CA ALA A 36 -4.700 -13.187 6.107 1.00 0.00 C ATOM 560 C ALA A 36 -3.572 -12.414 5.408 1.00 0.00 C ATOM 561 O ALA A 36 -3.744 -12.061 4.249 1.00 0.00 O ATOM 562 CB ALA A 36 -4.283 -14.617 6.468 1.00 0.00 C ATOM 0 H ALA A 36 -5.675 -13.722 4.349 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.934 -12.657 7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.412 -14.588 7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.105 -15.117 6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.035 -15.164 5.559 1.00 0.00 H new ATOM 568 N ILE A 37 -2.430 -12.131 6.042 1.00 0.00 N ATOM 569 CA ILE A 37 -1.455 -11.157 5.521 1.00 0.00 C ATOM 570 C ILE A 37 -0.765 -11.587 4.210 1.00 0.00 C ATOM 571 O ILE A 37 -0.324 -10.720 3.460 1.00 0.00 O ATOM 572 CB ILE A 37 -0.462 -10.751 6.654 1.00 0.00 C ATOM 573 CG1 ILE A 37 -0.950 -9.481 7.393 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.981 -10.471 6.191 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.176 -9.712 8.277 1.00 0.00 C ATOM 0 H ILE A 37 -2.153 -12.564 6.923 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.008 -10.267 5.220 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.444 -11.627 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.137 -9.096 8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.184 -8.712 6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.592 -10.197 7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.393 -11.365 5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.980 -9.652 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.457 -8.777 8.761 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.005 -10.067 7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.941 -10.457 9.037 1.00 0.00 H new ATOM 587 N ALA A 38 -0.693 -12.878 3.873 1.00 0.00 N ATOM 588 CA ALA A 38 0.212 -13.477 2.878 1.00 0.00 C ATOM 589 C ALA A 38 1.700 -13.187 3.096 1.00 0.00 C ATOM 590 O ALA A 38 2.492 -14.126 3.214 1.00 0.00 O ATOM 591 CB ALA A 38 -0.165 -13.105 1.432 1.00 0.00 C ATOM 0 H ALA A 38 -1.297 -13.575 4.309 1.00 0.00 H new ATOM 0 HA ALA A 38 0.069 -14.546 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.536 -13.574 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.175 -13.455 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.123 -12.022 1.312 1.00 0.00 H new ATOM 597 N ASP A 39 2.105 -11.925 3.000 1.00 0.00 N ATOM 598 CA ASP A 39 3.495 -11.506 2.960 1.00 0.00 C ATOM 599 C ASP A 39 3.570 -10.017 3.286 1.00 0.00 C ATOM 600 O ASP A 39 2.561 -9.306 3.293 1.00 0.00 O ATOM 601 CB ASP A 39 4.078 -11.739 1.555 1.00 0.00 C ATOM 602 CG ASP A 39 5.601 -11.865 1.510 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.273 -11.725 2.561 1.00 0.00 O ATOM 604 OD2 ASP A 39 6.119 -12.090 0.392 1.00 0.00 O ATOM 0 H ASP A 39 1.452 -11.144 2.946 1.00 0.00 H new ATOM 0 HA ASP A 39 4.066 -12.085 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.639 -12.646 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.776 -10.915 0.909 1.00 0.00 H new ATOM 609 N ILE A 40 4.786 -9.538 3.492 1.00 0.00 N ATOM 610 CA ILE A 40 5.150 -8.221 3.960 1.00 0.00 C ATOM 611 C ILE A 40 6.229 -7.729 2.987 1.00 0.00 C ATOM 612 O ILE A 40 7.097 -8.498 2.562 1.00 0.00 O ATOM 613 CB ILE A 40 5.639 -8.396 5.418 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.467 -8.360 6.434 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.794 -7.462 5.785 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.878 -6.983 6.779 1.00 0.00 C ATOM 0 H ILE A 40 5.610 -10.114 3.320 1.00 0.00 H new ATOM 0 HA ILE A 40 4.347 -7.484 3.977 1.00 0.00 H new ATOM 0 HB ILE A 40 6.064 -9.398 5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.662 -8.983 6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.808 -8.823 7.360 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.088 -7.636 6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.642 -7.657 5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.476 -6.426 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.068 -7.104 7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.656 -6.352 7.210 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.492 -6.515 5.873 1.00 0.00 H new ATOM 628 N SER A 41 6.194 -6.457 2.605 1.00 0.00 N ATOM 629 CA SER A 41 7.181 -5.857 1.715 1.00 0.00 C ATOM 630 C SER A 41 7.370 -4.393 2.125 1.00 0.00 C ATOM 631 O SER A 41 6.929 -3.473 1.435 1.00 0.00 O ATOM 632 CB SER A 41 6.703 -6.060 0.259 1.00 0.00 C ATOM 633 OG SER A 41 7.748 -6.195 -0.694 1.00 0.00 O ATOM 0 H SER A 41 5.470 -5.806 2.909 1.00 0.00 H new ATOM 0 HA SER A 41 8.162 -6.326 1.788 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.074 -6.950 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.077 -5.214 -0.025 1.00 0.00 H new ATOM 0 HG SER A 41 7.363 -6.321 -1.586 1.00 0.00 H new ATOM 639 N VAL A 42 8.003 -4.179 3.281 1.00 0.00 N ATOM 640 CA VAL A 42 8.524 -2.899 3.751 1.00 0.00 C ATOM 641 C VAL A 42 9.786 -2.607 2.934 1.00 0.00 C ATOM 642 O VAL A 42 10.890 -3.056 3.260 1.00 0.00 O ATOM 643 CB VAL A 42 8.676 -2.920 5.295 1.00 0.00 C ATOM 644 CG1 VAL A 42 9.613 -4.004 5.860 1.00 0.00 C ATOM 645 CG2 VAL A 42 9.044 -1.546 5.879 1.00 0.00 C ATOM 0 H VAL A 42 8.173 -4.934 3.946 1.00 0.00 H new ATOM 0 HA VAL A 42 7.847 -2.061 3.584 1.00 0.00 H new ATOM 0 HB VAL A 42 7.674 -3.192 5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.645 -3.927 6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.242 -4.989 5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.616 -3.864 5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.136 -1.624 6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.992 -1.213 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.264 -0.825 5.632 1.00 0.00 H new ATOM 655 N GLU A 43 9.615 -1.950 1.790 1.00 0.00 N ATOM 656 CA GLU A 43 10.691 -1.600 0.866 1.00 0.00 C ATOM 657 C GLU A 43 10.868 -0.079 0.890 1.00 0.00 C ATOM 658 O GLU A 43 9.939 0.654 1.254 1.00 0.00 O ATOM 659 CB GLU A 43 10.361 -2.100 -0.551 1.00 0.00 C ATOM 660 CG GLU A 43 9.955 -3.586 -0.659 1.00 0.00 C ATOM 661 CD GLU A 43 11.139 -4.556 -0.698 1.00 0.00 C ATOM 662 OE1 GLU A 43 11.881 -4.658 0.303 1.00 0.00 O ATOM 663 OE2 GLU A 43 11.302 -5.255 -1.733 1.00 0.00 O ATOM 0 H GLU A 43 8.698 -1.637 1.471 1.00 0.00 H new ATOM 0 HA GLU A 43 11.622 -2.078 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.551 -1.491 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.230 -1.933 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.319 -3.840 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.357 -3.724 -1.560 1.00 0.00 H new ATOM 670 N GLU A 44 12.055 0.409 0.539 1.00 0.00 N ATOM 671 CA GLU A 44 12.351 1.834 0.598 1.00 0.00 C ATOM 672 C GLU A 44 11.822 2.530 -0.656 1.00 0.00 C ATOM 673 O GLU A 44 11.503 1.861 -1.644 1.00 0.00 O ATOM 674 CB GLU A 44 13.859 2.060 0.749 1.00 0.00 C ATOM 675 CG GLU A 44 14.454 1.237 1.897 1.00 0.00 C ATOM 676 CD GLU A 44 15.799 1.737 2.426 1.00 0.00 C ATOM 677 OE1 GLU A 44 16.460 2.603 1.812 1.00 0.00 O ATOM 678 OE2 GLU A 44 16.174 1.296 3.541 1.00 0.00 O ATOM 0 H GLU A 44 12.830 -0.167 0.209 1.00 0.00 H new ATOM 0 HA GLU A 44 11.854 2.263 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.360 1.796 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.051 3.118 0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.740 1.222 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.574 0.207 1.561 1.00 0.00 H new ATOM 685 N ASN A 45 11.755 3.866 -0.648 1.00 0.00 N ATOM 686 CA ASN A 45 11.403 4.623 -1.842 1.00 0.00 C ATOM 687 C ASN A 45 12.655 4.924 -2.664 1.00 0.00 C ATOM 688 O ASN A 45 13.441 5.786 -2.260 1.00 0.00 O ATOM 689 CB ASN A 45 10.661 5.922 -1.506 1.00 0.00 C ATOM 690 CG ASN A 45 9.289 5.907 -2.135 1.00 0.00 C ATOM 691 OD1 ASN A 45 9.154 5.770 -3.348 1.00 0.00 O ATOM 692 ND2 ASN A 45 8.267 6.026 -1.316 1.00 0.00 N ATOM 0 H ASN A 45 11.941 4.440 0.174 1.00 0.00 H new ATOM 0 HA ASN A 45 10.724 4.006 -2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.574 6.032 -0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.228 6.779 -1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.315 6.006 -1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.426 6.138 -0.315 1.00 0.00 H new ATOM 699 N PRO A 46 12.833 4.323 -3.852 1.00 0.00 N ATOM 700 CA PRO A 46 14.020 4.535 -4.665 1.00 0.00 C ATOM 701 C PRO A 46 14.089 5.934 -5.281 1.00 0.00 C ATOM 702 O PRO A 46 15.091 6.269 -5.905 1.00 0.00 O ATOM 703 CB PRO A 46 13.978 3.443 -5.734 1.00 0.00 C ATOM 704 CG PRO A 46 12.487 3.175 -5.904 1.00 0.00 C ATOM 705 CD PRO A 46 11.924 3.402 -4.506 1.00 0.00 C ATOM 0 HA PRO A 46 14.920 4.474 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.436 3.775 -6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.514 2.548 -5.416 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.038 3.850 -6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.299 2.160 -6.253 1.00 0.00 H new ATOM 0 HD2 PRO A 46 10.917 3.816 -4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.857 2.464 -3.956 1.00 0.00 H new ATOM 713 N LEU A 47 13.045 6.758 -5.134 1.00 0.00 N ATOM 714 CA LEU A 47 13.009 8.124 -5.632 1.00 0.00 C ATOM 715 C LEU A 47 12.437 9.051 -4.547 1.00 0.00 C ATOM 716 O LEU A 47 11.774 10.040 -4.889 1.00 0.00 O ATOM 717 CB LEU A 47 12.078 8.152 -6.866 1.00 0.00 C ATOM 718 CG LEU A 47 12.487 7.550 -8.214 1.00 0.00 C ATOM 719 CD1 LEU A 47 13.793 8.145 -8.707 1.00 0.00 C ATOM 720 CD2 LEU A 47 12.470 6.029 -8.319 1.00 0.00 C ATOM 0 H LEU A 47 12.188 6.481 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 47 14.012 8.460 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.152 7.658 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.836 9.198 -7.051 1.00 0.00 H new ATOM 0 HG LEU A 47 11.681 7.844 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.057 7.698 -9.665 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.679 9.222 -8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.582 7.942 -7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.779 5.730 -9.321 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.157 5.606 -7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.462 5.662 -8.125 1.00 0.00 H new ATOM 732 N ALA A 48 12.766 8.833 -3.264 1.00 0.00 N ATOM 733 CA ALA A 48 12.147 9.552 -2.145 1.00 0.00 C ATOM 734 C ALA A 48 12.418 11.047 -2.257 1.00 0.00 C ATOM 735 O ALA A 48 11.580 11.882 -1.913 1.00 0.00 O ATOM 736 CB ALA A 48 12.695 9.043 -0.803 1.00 0.00 C ATOM 0 H ALA A 48 13.469 8.153 -2.976 1.00 0.00 H new ATOM 0 HA ALA A 48 11.073 9.372 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.223 9.589 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.478 7.980 -0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.773 9.198 -0.768 1.00 0.00 H new ATOM 742 N GLN A 49 13.611 11.372 -2.747 1.00 0.00 N ATOM 743 CA GLN A 49 14.187 12.700 -2.720 1.00 0.00 C ATOM 744 C GLN A 49 14.993 12.942 -3.994 1.00 0.00 C ATOM 745 O GLN A 49 16.089 13.496 -3.947 1.00 0.00 O ATOM 746 CB GLN A 49 14.954 12.858 -1.396 1.00 0.00 C ATOM 747 CG GLN A 49 16.079 11.827 -1.134 1.00 0.00 C ATOM 748 CD GLN A 49 16.399 11.661 0.351 1.00 0.00 C ATOM 749 OE1 GLN A 49 15.678 12.144 1.219 1.00 0.00 O ATOM 750 NE2 GLN A 49 17.484 10.994 0.692 1.00 0.00 N ATOM 0 H GLN A 49 14.222 10.686 -3.190 1.00 0.00 H new ATOM 0 HA GLN A 49 13.433 13.487 -2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.390 13.856 -1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.238 12.801 -0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 49 15.784 10.862 -1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 49 16.980 12.138 -1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.083 10.592 -0.029 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.724 10.880 1.677 1.00 0.00 H new ATOM 759 N ASP A 50 14.464 12.500 -5.138 1.00 0.00 N ATOM 760 CA ASP A 50 15.110 12.687 -6.440 1.00 0.00 C ATOM 761 C ASP A 50 14.122 13.159 -7.507 1.00 0.00 C ATOM 762 O ASP A 50 14.328 14.216 -8.093 1.00 0.00 O ATOM 763 CB ASP A 50 15.841 11.411 -6.867 1.00 0.00 C ATOM 764 CG ASP A 50 16.564 11.633 -8.192 1.00 0.00 C ATOM 765 OD1 ASP A 50 15.877 11.742 -9.232 1.00 0.00 O ATOM 766 OD2 ASP A 50 17.810 11.702 -8.219 1.00 0.00 O ATOM 0 H ASP A 50 13.575 12.002 -5.188 1.00 0.00 H new ATOM 0 HA ASP A 50 15.851 13.479 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.557 11.120 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.129 10.592 -6.966 1.00 0.00 H new ATOM 771 N HIS A 51 13.047 12.408 -7.783 1.00 0.00 N ATOM 772 CA HIS A 51 12.023 12.858 -8.737 1.00 0.00 C ATOM 773 C HIS A 51 10.841 13.503 -8.011 1.00 0.00 C ATOM 774 O HIS A 51 10.318 14.522 -8.463 1.00 0.00 O ATOM 775 CB HIS A 51 11.562 11.706 -9.649 1.00 0.00 C ATOM 776 CG HIS A 51 12.424 11.454 -10.865 1.00 0.00 C ATOM 777 ND1 HIS A 51 13.793 11.617 -10.962 1.00 0.00 N ATOM 778 CD2 HIS A 51 11.977 10.985 -12.072 1.00 0.00 C ATOM 779 CE1 HIS A 51 14.166 11.251 -12.200 1.00 0.00 C ATOM 780 NE2 HIS A 51 13.082 10.851 -12.888 1.00 0.00 N ATOM 0 H HIS A 51 12.864 11.496 -7.365 1.00 0.00 H new ATOM 0 HA HIS A 51 12.474 13.618 -9.375 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.522 10.791 -9.058 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.545 11.914 -9.983 1.00 0.00 H new ATOM 0 HD1 HIS A 51 14.411 11.955 -10.224 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.954 10.762 -12.335 1.00 0.00 H new ATOM 0 HE1 HIS A 51 15.176 11.274 -12.582 1.00 0.00 H new ATOM 789 N VAL A 52 10.403 12.930 -6.884 1.00 0.00 N ATOM 790 CA VAL A 52 9.171 13.277 -6.166 1.00 0.00 C ATOM 791 C VAL A 52 7.934 13.026 -7.053 1.00 0.00 C ATOM 792 O VAL A 52 7.241 12.020 -6.866 1.00 0.00 O ATOM 793 CB VAL A 52 9.240 14.694 -5.538 1.00 0.00 C ATOM 794 CG1 VAL A 52 8.289 14.788 -4.341 1.00 0.00 C ATOM 795 CG2 VAL A 52 10.642 15.071 -5.033 1.00 0.00 C ATOM 0 H VAL A 52 10.920 12.179 -6.427 1.00 0.00 H new ATOM 0 HA VAL A 52 9.064 12.610 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 52 8.961 15.381 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.346 15.787 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.269 14.593 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.575 14.051 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.618 16.074 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.957 14.360 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.347 15.047 -5.864 1.00 0.00 H new ATOM 805 N HIS A 53 7.681 13.835 -8.085 1.00 0.00 N ATOM 806 CA HIS A 53 6.786 13.507 -9.196 1.00 0.00 C ATOM 807 C HIS A 53 7.589 12.831 -10.313 1.00 0.00 C ATOM 808 O HIS A 53 8.585 13.390 -10.766 1.00 0.00 O ATOM 809 CB HIS A 53 6.054 14.769 -9.705 1.00 0.00 C ATOM 810 CG HIS A 53 6.770 16.104 -9.578 1.00 0.00 C ATOM 811 ND1 HIS A 53 6.192 17.274 -9.108 1.00 0.00 N ATOM 812 CD2 HIS A 53 8.033 16.412 -10.013 1.00 0.00 C ATOM 813 CE1 HIS A 53 7.089 18.267 -9.261 1.00 0.00 C ATOM 814 NE2 HIS A 53 8.206 17.768 -9.815 1.00 0.00 N ATOM 0 H HIS A 53 8.104 14.759 -8.173 1.00 0.00 H new ATOM 0 HA HIS A 53 6.020 12.813 -8.850 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.815 14.616 -10.757 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.107 14.845 -9.171 1.00 0.00 H new ATOM 0 HD2 HIS A 53 8.755 15.726 -10.431 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.935 19.299 -8.983 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.043 18.302 -10.050 1.00 0.00 H new ATOM 823 N GLY A 54 7.145 11.673 -10.802 1.00 0.00 N ATOM 824 CA GLY A 54 7.538 11.156 -12.110 1.00 0.00 C ATOM 825 C GLY A 54 8.111 9.743 -12.121 1.00 0.00 C ATOM 826 O GLY A 54 8.084 9.118 -13.182 1.00 0.00 O ATOM 0 H GLY A 54 6.499 11.065 -10.298 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.667 11.180 -12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.278 11.831 -12.539 1.00 0.00 H new ATOM 830 N ALA A 55 8.628 9.211 -11.005 1.00 0.00 N ATOM 831 CA ALA A 55 9.181 7.849 -10.993 1.00 0.00 C ATOM 832 C ALA A 55 8.982 7.081 -9.685 1.00 0.00 C ATOM 833 O ALA A 55 8.974 5.855 -9.733 1.00 0.00 O ATOM 834 CB ALA A 55 10.659 7.879 -11.373 1.00 0.00 C ATOM 0 H ALA A 55 8.675 9.696 -10.109 1.00 0.00 H new ATOM 0 HA ALA A 55 8.606 7.297 -11.737 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.058 6.865 -11.361 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.769 8.301 -12.372 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.206 8.493 -10.658 1.00 0.00 H new ATOM 840 N VAL A 56 8.707 7.754 -8.562 1.00 0.00 N ATOM 841 CA VAL A 56 8.267 7.123 -7.315 1.00 0.00 C ATOM 842 C VAL A 56 7.117 6.143 -7.646 1.00 0.00 C ATOM 843 O VAL A 56 7.214 4.976 -7.278 1.00 0.00 O ATOM 844 CB VAL A 56 7.823 8.187 -6.260 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.681 7.780 -5.317 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.983 8.717 -5.421 1.00 0.00 C ATOM 0 H VAL A 56 8.786 8.769 -8.494 1.00 0.00 H new ATOM 0 HA VAL A 56 9.098 6.577 -6.869 1.00 0.00 H new ATOM 0 HB VAL A 56 7.428 8.974 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.464 8.600 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.790 7.551 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.977 6.900 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.610 9.452 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.449 7.892 -4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.719 9.186 -6.073 1.00 0.00 H new ATOM 856 N PRO A 57 6.035 6.570 -8.345 1.00 0.00 N ATOM 857 CA PRO A 57 4.934 5.677 -8.663 1.00 0.00 C ATOM 858 C PRO A 57 5.333 4.628 -9.698 1.00 0.00 C ATOM 859 O PRO A 57 4.732 3.564 -9.696 1.00 0.00 O ATOM 860 CB PRO A 57 3.813 6.544 -9.240 1.00 0.00 C ATOM 861 CG PRO A 57 4.380 7.940 -9.455 1.00 0.00 C ATOM 862 CD PRO A 57 5.813 7.879 -8.953 1.00 0.00 C ATOM 0 HA PRO A 57 4.626 5.145 -7.763 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.452 6.128 -10.180 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.963 6.576 -8.558 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.345 8.220 -10.508 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.804 8.686 -8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.510 8.038 -9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.994 8.670 -8.225 1.00 0.00 H new ATOM 870 N ASN A 58 6.293 4.899 -10.592 1.00 0.00 N ATOM 871 CA ASN A 58 6.683 3.924 -11.608 1.00 0.00 C ATOM 872 C ASN A 58 7.260 2.686 -10.915 1.00 0.00 C ATOM 873 O ASN A 58 6.870 1.574 -11.260 1.00 0.00 O ATOM 874 CB ASN A 58 7.649 4.528 -12.640 1.00 0.00 C ATOM 875 CG ASN A 58 7.877 3.583 -13.824 1.00 0.00 C ATOM 876 OD1 ASN A 58 8.352 2.469 -13.663 1.00 0.00 O ATOM 877 ND2 ASN A 58 7.557 3.976 -15.045 1.00 0.00 N ATOM 0 H ASN A 58 6.808 5.779 -10.629 1.00 0.00 H new ATOM 0 HA ASN A 58 5.803 3.624 -12.176 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.249 5.475 -13.002 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.603 4.747 -12.161 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.708 3.352 -15.838 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.160 4.903 -15.195 1.00 0.00 H new ATOM 884 N PHE A 59 8.097 2.879 -9.886 1.00 0.00 N ATOM 885 CA PHE A 59 8.630 1.789 -9.071 1.00 0.00 C ATOM 886 C PHE A 59 7.488 0.921 -8.534 1.00 0.00 C ATOM 887 O PHE A 59 7.396 -0.252 -8.872 1.00 0.00 O ATOM 888 CB PHE A 59 9.514 2.359 -7.947 1.00 0.00 C ATOM 889 CG PHE A 59 9.639 1.480 -6.711 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.208 0.195 -6.798 1.00 0.00 C ATOM 891 CD2 PHE A 59 9.182 1.952 -5.464 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.352 -0.601 -5.647 1.00 0.00 C ATOM 893 CE2 PHE A 59 9.357 1.171 -4.306 1.00 0.00 C ATOM 894 CZ PHE A 59 9.944 -0.102 -4.400 1.00 0.00 C ATOM 0 H PHE A 59 8.422 3.802 -9.598 1.00 0.00 H new ATOM 0 HA PHE A 59 9.259 1.144 -9.685 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.512 2.539 -8.347 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.112 3.326 -7.646 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.536 -0.182 -7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.697 2.915 -5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.775 -1.592 -5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.040 1.550 -3.346 1.00 0.00 H new ATOM 0 HZ PHE A 59 10.082 -0.698 -3.510 1.00 0.00 H new ATOM 904 N VAL A 60 6.600 1.475 -7.709 1.00 0.00 N ATOM 905 CA VAL A 60 5.503 0.706 -7.117 1.00 0.00 C ATOM 906 C VAL A 60 4.547 0.136 -8.151 1.00 0.00 C ATOM 907 O VAL A 60 4.007 -0.944 -7.946 1.00 0.00 O ATOM 908 CB VAL A 60 4.772 1.559 -6.071 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.633 1.659 -4.808 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.453 2.985 -6.483 1.00 0.00 C ATOM 0 H VAL A 60 6.618 2.457 -7.434 1.00 0.00 H new ATOM 0 HA VAL A 60 5.941 -0.161 -6.622 1.00 0.00 H new ATOM 0 HB VAL A 60 3.822 1.044 -5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.117 2.264 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.808 0.661 -4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.588 2.123 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.937 3.493 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.379 3.513 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.814 2.974 -7.366 1.00 0.00 H new ATOM 920 N LYS A 61 4.363 0.797 -9.281 1.00 0.00 N ATOM 921 CA LYS A 61 3.583 0.260 -10.383 1.00 0.00 C ATOM 922 C LYS A 61 4.190 -0.979 -11.016 1.00 0.00 C ATOM 923 O LYS A 61 3.471 -1.735 -11.671 1.00 0.00 O ATOM 924 CB LYS A 61 3.345 1.370 -11.417 1.00 0.00 C ATOM 925 CG LYS A 61 2.278 1.030 -12.466 1.00 0.00 C ATOM 926 CD LYS A 61 2.946 0.798 -13.822 1.00 0.00 C ATOM 927 CE LYS A 61 1.933 0.255 -14.824 1.00 0.00 C ATOM 928 NZ LYS A 61 2.613 -0.394 -15.956 1.00 0.00 N ATOM 0 H LYS A 61 4.751 1.723 -9.461 1.00 0.00 H new ATOM 0 HA LYS A 61 2.629 -0.077 -9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.049 2.280 -10.896 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.284 1.585 -11.926 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.727 0.139 -12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.555 1.842 -12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.369 1.732 -14.192 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.772 0.096 -13.713 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.275 -0.460 -14.331 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.305 1.067 -15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.904 -0.756 -16.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.223 0.298 -16.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.194 -1.183 -15.606 1.00 0.00 H new ATOM 942 N GLU A 62 5.467 -1.235 -10.782 1.00 0.00 N ATOM 943 CA GLU A 62 6.030 -2.527 -11.090 1.00 0.00 C ATOM 944 C GLU A 62 5.527 -3.596 -10.111 1.00 0.00 C ATOM 945 O GLU A 62 5.326 -4.734 -10.538 1.00 0.00 O ATOM 946 CB GLU A 62 7.550 -2.383 -11.231 1.00 0.00 C ATOM 947 CG GLU A 62 8.445 -3.055 -10.189 1.00 0.00 C ATOM 948 CD GLU A 62 8.916 -4.416 -10.709 1.00 0.00 C ATOM 949 OE1 GLU A 62 9.739 -4.424 -11.666 1.00 0.00 O ATOM 950 OE2 GLU A 62 8.371 -5.449 -10.283 1.00 0.00 O ATOM 0 H GLU A 62 6.125 -0.566 -10.382 1.00 0.00 H new ATOM 0 HA GLU A 62 5.683 -2.899 -12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.831 -2.772 -12.210 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.784 -1.318 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.305 -2.421 -9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.898 -3.182 -9.255 1.00 0.00 H new ATOM 957 N LYS A 63 5.217 -3.278 -8.836 1.00 0.00 N ATOM 958 CA LYS A 63 4.995 -4.290 -7.826 1.00 0.00 C ATOM 959 C LYS A 63 3.550 -4.807 -7.789 1.00 0.00 C ATOM 960 O LYS A 63 3.015 -5.079 -6.719 1.00 0.00 O ATOM 961 CB LYS A 63 5.472 -3.822 -6.456 1.00 0.00 C ATOM 962 CG LYS A 63 6.999 -3.885 -6.427 1.00 0.00 C ATOM 963 CD LYS A 63 7.615 -2.519 -6.342 1.00 0.00 C ATOM 964 CE LYS A 63 7.302 -1.827 -4.998 1.00 0.00 C ATOM 965 NZ LYS A 63 7.838 -2.565 -3.825 1.00 0.00 N ATOM 0 H LYS A 63 5.119 -2.321 -8.498 1.00 0.00 H new ATOM 0 HA LYS A 63 5.603 -5.148 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.131 -2.805 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.052 -4.453 -5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.321 -4.482 -5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.358 -4.390 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.695 -2.600 -6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.246 -1.903 -7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.720 -0.820 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.222 -1.723 -4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.412 -1.922 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.049 -2.935 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.429 -3.355 -4.153 1.00 0.00 H new ATOM 979 N GLY A 64 2.917 -4.945 -8.945 1.00 0.00 N ATOM 980 CA GLY A 64 1.576 -5.498 -9.174 1.00 0.00 C ATOM 981 C GLY A 64 0.498 -5.193 -8.116 1.00 0.00 C ATOM 982 O GLY A 64 -0.241 -6.113 -7.751 1.00 0.00 O ATOM 0 H GLY A 64 3.355 -4.653 -9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.219 -5.130 -10.136 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.667 -6.581 -9.261 1.00 0.00 H new ATOM 986 N ALA A 65 0.408 -3.964 -7.600 1.00 0.00 N ATOM 987 CA ALA A 65 -0.557 -3.569 -6.581 1.00 0.00 C ATOM 988 C ALA A 65 -2.013 -3.659 -7.042 1.00 0.00 C ATOM 989 O ALA A 65 -2.311 -3.773 -8.229 1.00 0.00 O ATOM 990 CB ALA A 65 -0.240 -2.158 -6.063 1.00 0.00 C ATOM 0 H ALA A 65 1.020 -3.201 -7.889 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.455 -4.290 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.969 -1.877 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.760 -2.146 -5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.285 -1.448 -6.889 1.00 0.00 H new ATOM 996 N GLU A 66 -2.912 -3.528 -6.060 1.00 0.00 N ATOM 997 CA GLU A 66 -4.358 -3.411 -6.229 1.00 0.00 C ATOM 998 C GLU A 66 -4.944 -2.378 -5.259 1.00 0.00 C ATOM 999 O GLU A 66 -5.999 -1.817 -5.560 1.00 0.00 O ATOM 1000 CB GLU A 66 -5.016 -4.776 -5.975 1.00 0.00 C ATOM 1001 CG GLU A 66 -5.025 -5.676 -7.219 1.00 0.00 C ATOM 1002 CD GLU A 66 -4.779 -7.138 -6.839 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -3.609 -7.488 -6.548 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -5.732 -7.904 -6.563 1.00 0.00 O ATOM 0 H GLU A 66 -2.633 -3.500 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.558 -3.082 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.487 -5.284 -5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.041 -4.622 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.983 -5.586 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.258 -5.344 -7.918 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.305 -2.120 -4.106 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.843 -1.263 -3.055 1.00 0.00 C ATOM 1013 C LEU A 67 -3.724 -0.437 -2.406 1.00 0.00 C ATOM 1014 O LEU A 67 -2.579 -0.894 -2.340 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.539 -2.158 -2.003 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.535 -1.388 -1.124 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -7.851 -1.165 -1.885 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -6.807 -2.139 0.168 1.00 0.00 C ATOM 0 H LEU A 67 -3.389 -2.509 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.564 -0.565 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.062 -2.967 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.782 -2.618 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.095 -0.422 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.549 -0.618 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.655 -0.590 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.283 -2.129 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.515 -1.575 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.226 -3.119 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.875 -2.263 0.720 1.00 0.00 H new ATOM 1030 N VAL A 68 -4.031 0.763 -1.906 1.00 0.00 N ATOM 1031 CA VAL A 68 -3.073 1.670 -1.267 1.00 0.00 C ATOM 1032 C VAL A 68 -3.827 2.444 -0.189 1.00 0.00 C ATOM 1033 O VAL A 68 -4.817 3.101 -0.492 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.484 2.664 -2.292 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.260 3.431 -1.774 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.087 2.025 -3.616 1.00 0.00 C ATOM 0 H VAL A 68 -4.978 1.141 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.248 1.097 -0.844 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.313 3.354 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.902 4.110 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.537 4.004 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.470 2.725 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.682 2.788 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.331 1.260 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.963 1.569 -4.077 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.367 2.380 1.054 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.992 3.012 2.199 1.00 0.00 C ATOM 1048 C ILE A 69 -3.052 4.131 2.645 1.00 0.00 C ATOM 1049 O ILE A 69 -1.927 3.872 3.071 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.268 1.954 3.285 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -5.221 0.837 2.790 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.868 2.652 4.506 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.315 -0.351 3.758 1.00 0.00 C ATOM 0 H ILE A 69 -2.519 1.868 1.296 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.963 3.449 1.968 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.324 1.473 3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.216 1.256 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.878 0.480 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.069 1.915 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.165 3.395 4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.799 3.144 4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.998 -1.098 3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.328 -0.794 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.686 -0.006 4.723 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.486 5.380 2.490 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.676 6.574 2.702 1.00 0.00 C ATOM 1067 C VAL A 70 -3.412 7.560 3.621 1.00 0.00 C ATOM 1068 O VAL A 70 -4.519 7.293 4.097 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.266 7.178 1.334 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.706 6.131 0.362 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.410 7.889 0.602 1.00 0.00 C ATOM 0 H VAL A 70 -4.442 5.594 2.204 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.750 6.318 3.218 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.498 7.902 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.437 6.614 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.821 5.666 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.461 5.368 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.045 8.285 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.217 7.181 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.783 8.708 1.218 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.815 8.733 3.859 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.484 9.845 4.532 1.00 0.00 C ATOM 1083 C ARG A 71 -3.687 10.978 3.532 1.00 0.00 C ATOM 1084 O ARG A 71 -4.726 11.036 2.879 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.723 10.272 5.801 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.536 9.124 6.798 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.103 9.631 8.174 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.243 10.157 8.934 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.197 10.758 10.124 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -2.040 11.124 10.660 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -4.322 10.967 10.791 1.00 0.00 N ATOM 0 H ARG A 71 -1.853 8.935 3.589 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.468 9.533 4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.746 10.664 5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.264 11.084 6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.469 8.569 6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.789 8.429 6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.635 8.820 8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.351 10.411 8.056 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.164 10.052 8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.168 10.947 10.161 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.022 11.583 11.571 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.213 10.669 10.394 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.297 11.426 11.702 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.691 11.849 3.388 1.00 0.00 N ATOM 1106 CA GLY A 72 -2.806 13.120 2.689 1.00 0.00 C ATOM 1107 C GLY A 72 -2.703 12.996 1.176 1.00 0.00 C ATOM 1108 O GLY A 72 -3.584 13.488 0.476 1.00 0.00 O ATOM 0 H GLY A 72 -1.758 11.683 3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.761 13.579 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.025 13.792 3.044 1.00 0.00 H new ATOM 1112 N ILE A 73 -1.634 12.363 0.673 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.301 12.184 -0.753 1.00 0.00 C ATOM 1114 C ILE A 73 -1.517 13.479 -1.593 1.00 0.00 C ATOM 1115 O ILE A 73 -1.338 14.589 -1.076 1.00 0.00 O ATOM 1116 CB ILE A 73 -1.974 10.871 -1.280 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.418 10.356 -2.627 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.508 10.932 -1.408 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.438 8.826 -2.750 1.00 0.00 C ATOM 0 H ILE A 73 -0.937 11.937 1.283 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.229 12.030 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.709 10.172 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.002 10.786 -3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.394 10.709 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.880 9.977 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.947 11.137 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.784 11.725 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.034 8.534 -3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.831 8.389 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.463 8.467 -2.661 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.783 13.367 -2.899 1.00 0.00 N ATOM 1132 CA GLY A 74 -2.084 14.441 -3.843 1.00 0.00 C ATOM 1133 C GLY A 74 -2.595 13.837 -5.150 1.00 0.00 C ATOM 1134 O GLY A 74 -2.231 12.702 -5.473 1.00 0.00 O ATOM 0 H GLY A 74 -1.793 12.454 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.833 15.112 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.191 15.038 -4.029 1.00 0.00 H new ATOM 1138 N ARG A 75 -3.358 14.596 -5.951 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.967 14.104 -7.199 1.00 0.00 C ATOM 1140 C ARG A 75 -2.919 13.540 -8.148 1.00 0.00 C ATOM 1141 O ARG A 75 -3.140 12.501 -8.765 1.00 0.00 O ATOM 1142 CB ARG A 75 -4.782 15.228 -7.869 1.00 0.00 C ATOM 1143 CG ARG A 75 -5.293 14.927 -9.290 1.00 0.00 C ATOM 1144 CD ARG A 75 -6.167 13.668 -9.410 1.00 0.00 C ATOM 1145 NE ARG A 75 -7.521 13.993 -9.893 1.00 0.00 N ATOM 1146 CZ ARG A 75 -7.889 14.071 -11.178 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -7.048 13.701 -12.135 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -9.096 14.512 -11.498 1.00 0.00 N ATOM 0 H ARG A 75 -3.572 15.573 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.644 13.287 -6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.639 15.457 -7.236 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.165 16.126 -7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.866 15.784 -9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.435 14.821 -9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.696 12.961 -10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.234 13.177 -8.439 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.237 14.174 -9.190 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.119 13.356 -11.892 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.330 13.761 -13.113 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.747 14.793 -10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.374 14.571 -12.478 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.747 14.171 -8.220 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.621 13.681 -9.014 1.00 0.00 C ATOM 1164 C ARG A 76 -0.187 12.260 -8.681 1.00 0.00 C ATOM 1165 O ARG A 76 0.506 11.645 -9.494 1.00 0.00 O ATOM 1166 CB ARG A 76 0.565 14.632 -8.878 1.00 0.00 C ATOM 1167 CG ARG A 76 1.100 14.686 -7.442 1.00 0.00 C ATOM 1168 CD ARG A 76 2.194 15.744 -7.396 1.00 0.00 C ATOM 1169 NE ARG A 76 2.453 16.217 -6.025 1.00 0.00 N ATOM 1170 CZ ARG A 76 1.751 17.126 -5.336 1.00 0.00 C ATOM 1171 NH1 ARG A 76 0.777 17.823 -5.906 1.00 0.00 N ATOM 1172 NH2 ARG A 76 2.023 17.298 -4.046 1.00 0.00 N ATOM 0 H ARG A 76 -1.551 15.042 -7.726 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.975 13.651 -10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.363 14.314 -9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.265 15.632 -9.190 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.300 14.933 -6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.494 13.715 -7.144 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.112 15.334 -7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.907 16.589 -8.022 1.00 0.00 H new ATOM 0 HE ARG A 76 3.256 15.807 -5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.549 17.672 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.256 18.510 -5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.754 16.743 -3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.501 17.985 -3.502 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.504 11.760 -7.486 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.199 10.394 -7.102 1.00 0.00 C ATOM 1188 C ALA A 77 -1.428 9.492 -7.237 1.00 0.00 C ATOM 1189 O ALA A 77 -1.262 8.313 -7.548 1.00 0.00 O ATOM 1190 CB ALA A 77 0.364 10.385 -5.688 1.00 0.00 C ATOM 0 H ALA A 77 -0.980 12.297 -6.761 1.00 0.00 H new ATOM 0 HA ALA A 77 0.555 9.989 -7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.595 9.361 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.273 10.986 -5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.372 10.802 -5.001 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.648 10.022 -7.076 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.855 9.305 -7.482 1.00 0.00 C ATOM 1198 C ILE A 78 -3.678 8.873 -8.947 1.00 0.00 C ATOM 1199 O ILE A 78 -3.826 7.692 -9.255 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.121 10.161 -7.233 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.259 10.589 -5.754 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.402 9.445 -7.686 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -5.232 9.447 -4.734 1.00 0.00 C ATOM 0 H ILE A 78 -2.821 10.941 -6.669 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.000 8.409 -6.878 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.993 11.058 -7.839 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.453 11.284 -5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.195 11.135 -5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.264 10.083 -7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.342 9.232 -8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.511 8.511 -7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.336 9.855 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.055 8.761 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.286 8.911 -4.812 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.250 9.795 -9.823 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.107 9.553 -11.252 1.00 0.00 C ATOM 1217 C ALA A 79 -2.203 8.368 -11.612 1.00 0.00 C ATOM 1218 O ALA A 79 -2.394 7.793 -12.687 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.564 10.826 -11.904 1.00 0.00 C ATOM 0 H ALA A 79 -2.992 10.742 -9.546 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.096 9.290 -11.626 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.449 10.665 -12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.259 11.648 -11.732 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.596 11.073 -11.469 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.225 8.001 -10.772 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.386 6.853 -11.046 1.00 0.00 C ATOM 1227 C ALA A 80 -1.141 5.548 -10.814 1.00 0.00 C ATOM 1228 O ALA A 80 -1.105 4.684 -11.682 1.00 0.00 O ATOM 1229 CB ALA A 80 0.830 6.891 -10.141 1.00 0.00 C ATOM 0 H ALA A 80 -1.005 8.488 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.082 6.895 -12.092 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.463 6.028 -10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.393 7.806 -10.326 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.509 6.867 -9.100 1.00 0.00 H new ATOM 1235 N PHE A 81 -1.781 5.381 -9.651 1.00 0.00 N ATOM 1236 CA PHE A 81 -2.610 4.260 -9.291 1.00 0.00 C ATOM 1237 C PHE A 81 -3.777 4.135 -10.267 1.00 0.00 C ATOM 1238 O PHE A 81 -4.120 3.036 -10.691 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.011 4.481 -7.826 1.00 0.00 C ATOM 1240 CG PHE A 81 -1.830 4.445 -6.862 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -0.951 3.344 -6.871 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -1.613 5.494 -5.947 1.00 0.00 C ATOM 1243 CE1 PHE A 81 0.146 3.298 -6.001 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -0.544 5.421 -5.037 1.00 0.00 C ATOM 1245 CZ PHE A 81 0.342 4.332 -5.077 1.00 0.00 C ATOM 0 H PHE A 81 -1.721 6.073 -8.904 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.097 3.301 -9.365 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.514 5.444 -7.736 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.731 3.716 -7.535 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.125 2.527 -7.556 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.267 6.353 -5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.837 2.469 -6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.404 6.204 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.177 4.292 -4.393 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.327 5.252 -10.730 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.306 5.268 -11.803 1.00 0.00 C ATOM 1257 C GLU A 82 -4.772 4.714 -13.129 1.00 0.00 C ATOM 1258 O GLU A 82 -5.587 4.350 -13.975 1.00 0.00 O ATOM 1259 CB GLU A 82 -5.860 6.687 -11.953 1.00 0.00 C ATOM 1260 CG GLU A 82 -6.791 7.029 -10.780 1.00 0.00 C ATOM 1261 CD GLU A 82 -7.824 8.086 -11.149 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -7.473 9.285 -11.223 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.998 7.704 -11.378 1.00 0.00 O ATOM 0 H GLU A 82 -4.102 6.178 -10.366 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.114 4.590 -11.529 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.038 7.402 -11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.404 6.774 -12.894 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.302 6.125 -10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.196 7.384 -9.939 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.455 4.591 -13.332 1.00 0.00 N ATOM 1271 CA ALA A 83 -2.907 3.992 -14.538 1.00 0.00 C ATOM 1272 C ALA A 83 -2.858 2.461 -14.443 1.00 0.00 C ATOM 1273 O ALA A 83 -2.634 1.794 -15.453 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.488 4.519 -14.741 1.00 0.00 C ATOM 0 H ALA A 83 -2.750 4.904 -12.665 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.552 4.258 -15.376 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.062 4.079 -15.643 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.514 5.604 -14.844 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.874 4.251 -13.881 1.00 0.00 H new ATOM 1280 N MET A 84 -3.034 1.909 -13.241 1.00 0.00 N ATOM 1281 CA MET A 84 -2.867 0.499 -12.896 1.00 0.00 C ATOM 1282 C MET A 84 -4.136 -0.055 -12.228 1.00 0.00 C ATOM 1283 O MET A 84 -4.098 -1.137 -11.645 1.00 0.00 O ATOM 1284 CB MET A 84 -1.574 0.303 -12.063 1.00 0.00 C ATOM 1285 CG MET A 84 -1.269 1.416 -11.056 1.00 0.00 C ATOM 1286 SD MET A 84 0.110 1.119 -9.912 1.00 0.00 S ATOM 1287 CE MET A 84 0.778 2.794 -9.690 1.00 0.00 C ATOM 0 H MET A 84 -3.314 2.469 -12.436 1.00 0.00 H new ATOM 0 HA MET A 84 -2.736 -0.091 -13.803 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.648 -0.642 -11.524 1.00 0.00 H new ATOM 0 HB3 MET A 84 -0.730 0.214 -12.748 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.061 2.331 -11.611 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.168 1.599 -10.467 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.596 2.767 -8.970 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.148 3.168 -10.645 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.008 3.453 -9.322 1.00 0.00 H new ATOM 1297 N GLY A 85 -5.250 0.689 -12.281 1.00 0.00 N ATOM 1298 CA GLY A 85 -6.515 0.297 -11.666 1.00 0.00 C ATOM 1299 C GLY A 85 -6.434 0.208 -10.146 1.00 0.00 C ATOM 1300 O GLY A 85 -7.332 -0.347 -9.513 1.00 0.00 O ATOM 0 H GLY A 85 -5.293 1.589 -12.759 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.286 1.017 -11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.823 -0.669 -12.065 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.393 0.764 -9.538 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.091 0.590 -8.133 1.00 0.00 C ATOM 1306 C VAL A 86 -6.010 1.523 -7.358 1.00 0.00 C ATOM 1307 O VAL A 86 -5.930 2.742 -7.523 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.580 0.835 -7.913 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.274 0.917 -6.425 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -2.784 -0.360 -8.447 1.00 0.00 C ATOM 0 H VAL A 86 -4.724 1.361 -10.024 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.278 -0.421 -7.771 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.312 1.760 -8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.207 1.090 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.837 1.739 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.558 -0.019 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.719 -0.187 -8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.086 -1.264 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.980 -0.481 -9.512 1.00 0.00 H new ATOM 1320 N LYS A 87 -6.939 0.967 -6.578 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.793 1.788 -5.731 1.00 0.00 C ATOM 1322 C LYS A 87 -6.945 2.422 -4.628 1.00 0.00 C ATOM 1323 O LYS A 87 -6.033 1.767 -4.119 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.964 0.932 -5.226 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.759 1.651 -4.133 1.00 0.00 C ATOM 1326 CD LYS A 87 -11.193 1.172 -3.886 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.382 -0.348 -3.817 1.00 0.00 C ATOM 1328 NZ LYS A 87 -11.847 -0.930 -5.091 1.00 0.00 N ATOM 0 H LYS A 87 -7.115 -0.036 -6.518 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.238 2.617 -6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.625 0.692 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.584 -0.013 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.206 1.561 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.794 2.712 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.546 1.607 -2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.829 1.563 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.438 -0.813 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.101 -0.584 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.463 -1.891 -5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.886 -0.970 -5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.519 -0.340 -5.882 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.293 3.631 -4.178 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.542 4.378 -3.172 1.00 0.00 C ATOM 1344 C VAL A 88 -7.497 4.893 -2.088 1.00 0.00 C ATOM 1345 O VAL A 88 -8.277 5.816 -2.339 1.00 0.00 O ATOM 1346 CB VAL A 88 -5.742 5.529 -3.823 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -4.774 6.172 -2.815 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -4.971 5.114 -5.084 1.00 0.00 C ATOM 0 H VAL A 88 -8.121 4.125 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.818 3.713 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.491 6.257 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.225 6.978 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.339 6.573 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.071 5.420 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.435 5.975 -5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.259 4.328 -4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.671 4.744 -5.833 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.420 4.302 -0.902 1.00 0.00 N ATOM 1359 CA ILE A 89 -8.043 4.700 0.350 1.00 0.00 C ATOM 1360 C ILE A 89 -7.165 5.791 0.954 1.00 0.00 C ATOM 1361 O ILE A 89 -5.962 5.597 1.118 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.104 3.452 1.264 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.192 2.477 0.765 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.326 3.780 2.753 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -8.895 1.030 1.157 1.00 0.00 C ATOM 0 H ILE A 89 -6.868 3.453 -0.784 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.055 5.082 0.218 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.123 2.982 1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.158 2.772 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.272 2.549 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.357 2.855 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.509 4.404 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.269 4.313 2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.688 0.382 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.943 0.724 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.842 0.951 2.243 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.755 6.924 1.321 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.107 7.967 2.112 1.00 0.00 C ATOM 1379 C LYS A 90 -7.706 7.963 3.518 1.00 0.00 C ATOM 1380 O LYS A 90 -8.607 7.178 3.805 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.283 9.303 1.380 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.518 9.337 0.036 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.317 9.842 -1.173 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.493 8.906 -1.441 1.00 0.00 C ATOM 1385 NZ LYS A 90 -9.245 9.183 -2.677 1.00 0.00 N ATOM 0 H LYS A 90 -8.718 7.149 1.072 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.037 7.793 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.343 9.479 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.931 10.114 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.638 9.969 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.160 8.331 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.680 10.852 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.673 9.893 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.120 7.883 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.180 8.960 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.728 8.317 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.949 9.926 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.589 9.501 -3.419 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.227 8.849 4.391 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.879 9.103 5.670 1.00 0.00 C ATOM 1401 C GLY A 91 -7.551 8.098 6.776 1.00 0.00 C ATOM 1402 O GLY A 91 -8.162 8.149 7.849 1.00 0.00 O ATOM 0 H GLY A 91 -6.386 9.404 4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.599 10.100 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.958 9.110 5.515 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.597 7.192 6.552 1.00 0.00 N ATOM 1407 CA ALA A 92 -6.128 6.260 7.572 1.00 0.00 C ATOM 1408 C ALA A 92 -5.303 6.996 8.641 1.00 0.00 C ATOM 1409 O ALA A 92 -5.140 8.217 8.585 1.00 0.00 O ATOM 1410 CB ALA A 92 -5.310 5.166 6.881 1.00 0.00 C ATOM 0 H ALA A 92 -6.128 7.086 5.653 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.975 5.805 8.086 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.949 4.457 7.626 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.937 4.645 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.461 5.616 6.367 1.00 0.00 H new ATOM 1416 N SER A 93 -4.751 6.261 9.604 1.00 0.00 N ATOM 1417 CA SER A 93 -3.696 6.638 10.539 1.00 0.00 C ATOM 1418 C SER A 93 -3.151 5.336 11.131 1.00 0.00 C ATOM 1419 O SER A 93 -3.784 4.293 10.996 1.00 0.00 O ATOM 1420 CB SER A 93 -4.290 7.537 11.626 1.00 0.00 C ATOM 1421 OG SER A 93 -3.350 7.987 12.598 1.00 0.00 O ATOM 0 H SER A 93 -5.059 5.302 9.763 1.00 0.00 H new ATOM 0 HA SER A 93 -2.893 7.193 10.054 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.748 8.405 11.152 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.087 6.994 12.134 1.00 0.00 H new ATOM 0 HG SER A 93 -3.805 8.555 13.254 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.022 5.393 11.834 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.542 4.278 12.645 1.00 0.00 C ATOM 1429 C GLY A 94 -0.421 3.481 11.992 1.00 0.00 C ATOM 1430 O GLY A 94 0.207 3.947 11.033 1.00 0.00 O ATOM 0 H GLY A 94 -1.415 6.213 11.857 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.192 4.662 13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.376 3.609 12.856 1.00 0.00 H new ATOM 1434 N THR A 95 -0.056 2.348 12.572 1.00 0.00 N ATOM 1435 CA THR A 95 0.997 1.499 12.041 1.00 0.00 C ATOM 1436 C THR A 95 0.490 0.645 10.879 1.00 0.00 C ATOM 1437 O THR A 95 -0.719 0.428 10.748 1.00 0.00 O ATOM 1438 CB THR A 95 1.600 0.645 13.172 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.598 -0.097 13.834 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.309 1.502 14.218 1.00 0.00 C ATOM 0 H THR A 95 -0.483 1.991 13.427 1.00 0.00 H new ATOM 0 HA THR A 95 1.789 2.129 11.636 1.00 0.00 H new ATOM 0 HB THR A 95 2.320 -0.022 12.698 1.00 0.00 H new ATOM 0 HG1 THR A 95 1.005 -0.633 14.547 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.719 0.860 14.997 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.117 2.060 13.744 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.597 2.199 14.660 1.00 0.00 H new ATOM 1448 N VAL A 96 1.399 0.093 10.088 1.00 0.00 N ATOM 1449 CA VAL A 96 1.092 -0.795 8.982 1.00 0.00 C ATOM 1450 C VAL A 96 0.168 -1.915 9.448 1.00 0.00 C ATOM 1451 O VAL A 96 -0.887 -2.125 8.851 1.00 0.00 O ATOM 1452 CB VAL A 96 2.419 -1.308 8.377 1.00 0.00 C ATOM 1453 CG1 VAL A 96 2.332 -2.585 7.528 1.00 0.00 C ATOM 1454 CG2 VAL A 96 3.004 -0.202 7.503 1.00 0.00 C ATOM 0 H VAL A 96 2.399 0.257 10.204 1.00 0.00 H new ATOM 0 HA VAL A 96 0.553 -0.267 8.196 1.00 0.00 H new ATOM 0 HB VAL A 96 3.040 -1.571 9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.324 -2.845 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.946 -3.402 8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.664 -2.416 6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.942 -0.542 7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.300 0.044 6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.188 0.684 8.111 1.00 0.00 H new ATOM 1464 N GLU A 97 0.572 -2.652 10.480 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.160 -3.840 10.884 1.00 0.00 C ATOM 1466 C GLU A 97 -1.577 -3.537 11.406 1.00 0.00 C ATOM 1467 O GLU A 97 -2.411 -4.442 11.494 1.00 0.00 O ATOM 1468 CB GLU A 97 0.634 -4.624 11.919 1.00 0.00 C ATOM 1469 CG GLU A 97 0.737 -3.913 13.276 1.00 0.00 C ATOM 1470 CD GLU A 97 0.913 -4.899 14.422 1.00 0.00 C ATOM 1471 OE1 GLU A 97 0.031 -5.775 14.583 1.00 0.00 O ATOM 1472 OE2 GLU A 97 1.911 -4.791 15.166 1.00 0.00 O ATOM 0 H GLU A 97 1.396 -2.446 11.045 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.288 -4.445 9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.167 -5.598 12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.638 -4.805 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.579 -3.221 13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.161 -3.319 13.443 1.00 0.00 H new ATOM 1479 N GLU A 98 -1.815 -2.295 11.829 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.069 -1.808 12.376 1.00 0.00 C ATOM 1481 C GLU A 98 -3.941 -1.382 11.197 1.00 0.00 C ATOM 1482 O GLU A 98 -5.022 -1.930 11.021 1.00 0.00 O ATOM 1483 CB GLU A 98 -2.766 -0.662 13.356 1.00 0.00 C ATOM 1484 CG GLU A 98 -3.958 -0.250 14.236 1.00 0.00 C ATOM 1485 CD GLU A 98 -3.660 1.037 15.019 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -3.075 1.980 14.436 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -4.009 1.159 16.215 1.00 0.00 O ATOM 0 H GLU A 98 -1.098 -1.570 11.795 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.609 -2.568 12.941 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.939 -0.960 14.001 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.431 0.206 12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.839 -0.102 13.611 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.193 -1.055 14.932 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.435 -0.508 10.321 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.097 -0.008 9.125 1.00 0.00 C ATOM 1496 C VAL A 99 -4.606 -1.166 8.257 1.00 0.00 C ATOM 1497 O VAL A 99 -5.747 -1.137 7.785 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.071 0.870 8.381 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.543 1.264 6.994 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -2.796 2.198 9.089 1.00 0.00 C ATOM 0 H VAL A 99 -2.502 -0.113 10.439 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.977 0.583 9.378 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.179 0.245 8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.784 1.881 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.712 0.367 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.473 1.827 7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.066 2.771 8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.722 2.767 9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.403 2.004 10.087 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.763 -2.180 8.034 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.121 -3.380 7.291 1.00 0.00 C ATOM 1512 C VAL A 100 -5.340 -4.014 7.955 1.00 0.00 C ATOM 1513 O VAL A 100 -6.343 -4.259 7.285 1.00 0.00 O ATOM 1514 CB VAL A 100 -2.893 -4.317 7.218 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.193 -5.742 6.736 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.859 -3.733 6.251 1.00 0.00 C ATOM 0 H VAL A 100 -2.801 -2.184 8.372 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.398 -3.154 6.261 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.534 -4.384 8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.270 -6.322 6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.905 -6.213 7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.617 -5.705 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.994 -4.394 6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.301 -3.638 5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.545 -2.751 6.604 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.277 -4.272 9.262 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.372 -4.905 9.983 1.00 0.00 C ATOM 1528 C ASN A 101 -7.634 -4.036 9.946 1.00 0.00 C ATOM 1529 O ASN A 101 -8.714 -4.590 9.775 1.00 0.00 O ATOM 1530 CB ASN A 101 -5.930 -5.178 11.427 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.018 -5.839 12.258 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -7.723 -5.192 13.017 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -7.134 -7.155 12.216 1.00 0.00 N ATOM 0 H ASN A 101 -4.469 -4.048 9.844 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.621 -5.850 9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.047 -5.817 11.418 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.639 -4.239 11.897 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.811 -7.627 12.816 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.547 -7.699 11.583 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.533 -2.703 10.030 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.692 -1.813 9.945 1.00 0.00 C ATOM 1542 C GLN A 102 -9.404 -1.995 8.598 1.00 0.00 C ATOM 1543 O GLN A 102 -10.630 -2.116 8.555 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.312 -0.331 10.147 1.00 0.00 C ATOM 1545 CG GLN A 102 -7.594 -0.010 11.469 1.00 0.00 C ATOM 1546 CD GLN A 102 -8.001 1.334 12.081 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -8.236 2.322 11.382 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -8.106 1.406 13.398 1.00 0.00 N ATOM 0 H GLN A 102 -6.647 -2.215 10.158 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.367 -2.088 10.755 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.672 -0.021 9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.219 0.270 10.090 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.802 -0.804 12.187 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.518 -0.010 11.297 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.910 0.585 13.971 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.383 2.282 13.840 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.656 -2.016 7.490 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.198 -2.289 6.163 1.00 0.00 C ATOM 1559 C TYR A 103 -9.821 -3.675 6.074 1.00 0.00 C ATOM 1560 O TYR A 103 -10.987 -3.784 5.703 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.114 -2.106 5.106 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.503 -2.634 3.736 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.573 -2.054 3.028 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -7.862 -3.775 3.218 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -10.011 -2.618 1.816 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -8.306 -4.359 2.022 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.381 -3.777 1.310 1.00 0.00 C ATOM 1568 OH TYR A 103 -9.770 -4.307 0.116 1.00 0.00 O ATOM 0 H TYR A 103 -7.651 -1.842 7.493 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.997 -1.572 5.975 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -7.875 -1.046 5.023 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.207 -2.612 5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.060 -1.172 3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.022 -4.204 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.828 -2.166 1.273 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.828 -5.251 1.646 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.010 -4.762 -0.303 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.085 -4.731 6.430 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.579 -6.097 6.383 1.00 0.00 C ATOM 1580 C LEU A 104 -10.855 -6.232 7.215 1.00 0.00 C ATOM 1581 O LEU A 104 -11.738 -7.018 6.859 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.504 -7.078 6.894 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.566 -7.577 5.788 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.493 -6.587 5.366 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -6.837 -8.856 6.200 1.00 0.00 C ATOM 0 H LEU A 104 -8.123 -4.655 6.761 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.810 -6.343 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.914 -6.589 7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.994 -7.933 7.359 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.240 -7.742 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.879 -7.028 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.964 -5.678 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.865 -6.344 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.182 -9.178 5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.243 -8.664 7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.566 -9.639 6.410 1.00 0.00 H new ATOM 1597 N SER A 105 -10.982 -5.447 8.284 1.00 0.00 N ATOM 1598 CA SER A 105 -12.141 -5.452 9.159 1.00 0.00 C ATOM 1599 C SER A 105 -13.346 -4.734 8.548 1.00 0.00 C ATOM 1600 O SER A 105 -14.476 -4.994 8.965 1.00 0.00 O ATOM 1601 CB SER A 105 -11.775 -4.762 10.467 1.00 0.00 C ATOM 1602 OG SER A 105 -10.791 -5.480 11.176 1.00 0.00 O ATOM 0 H SER A 105 -10.265 -4.779 8.567 1.00 0.00 H new ATOM 0 HA SER A 105 -12.423 -6.493 9.320 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.412 -3.756 10.259 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.666 -4.658 11.086 1.00 0.00 H new ATOM 0 HG SER A 105 -9.934 -5.413 10.705 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.125 -3.836 7.586 1.00 0.00 N ATOM 1609 CA GLY A 106 -14.154 -3.004 6.988 1.00 0.00 C ATOM 1610 C GLY A 106 -14.263 -1.623 7.633 1.00 0.00 C ATOM 1611 O GLY A 106 -15.226 -0.911 7.357 1.00 0.00 O ATOM 0 H GLY A 106 -12.198 -3.668 7.195 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.944 -2.886 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.115 -3.512 7.068 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.336 -1.235 8.516 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.382 0.067 9.183 1.00 0.00 C ATOM 1617 C GLN A 107 -12.836 1.181 8.301 1.00 0.00 C ATOM 1618 O GLN A 107 -13.153 2.357 8.507 1.00 0.00 O ATOM 1619 CB GLN A 107 -12.572 0.003 10.486 1.00 0.00 C ATOM 1620 CG GLN A 107 -13.124 -1.074 11.423 1.00 0.00 C ATOM 1621 CD GLN A 107 -14.601 -0.830 11.741 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -15.046 0.309 11.891 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -15.404 -1.875 11.773 1.00 0.00 N ATOM 0 H GLN A 107 -12.539 -1.811 8.786 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.427 0.294 9.395 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.527 -0.208 10.259 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.600 0.972 10.984 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.006 -2.055 10.963 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.547 -1.085 12.348 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.025 -2.814 11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.404 -1.745 11.923 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.009 0.821 7.329 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.431 1.746 6.367 1.00 0.00 C ATOM 1634 C LEU A 108 -12.231 1.688 5.074 1.00 0.00 C ATOM 1635 O LEU A 108 -12.697 0.620 4.679 1.00 0.00 O ATOM 1636 CB LEU A 108 -9.956 1.378 6.155 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.968 2.459 6.610 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -9.171 2.946 8.049 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -7.566 1.874 6.484 1.00 0.00 C ATOM 0 H LEU A 108 -11.715 -0.145 7.185 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.473 2.772 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.742 0.455 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.792 1.174 5.097 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.130 3.331 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.428 3.709 8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.170 3.369 8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.059 2.107 8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.832 2.616 6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.483 0.990 7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.379 1.598 5.446 1.00 0.00 H new ATOM 1651 N LYS A 109 -12.363 2.828 4.400 1.00 0.00 N ATOM 1652 CA LYS A 109 -13.045 2.949 3.118 1.00 0.00 C ATOM 1653 C LYS A 109 -12.341 3.991 2.281 1.00 0.00 C ATOM 1654 O LYS A 109 -11.602 4.818 2.809 1.00 0.00 O ATOM 1655 CB LYS A 109 -14.522 3.339 3.293 1.00 0.00 C ATOM 1656 CG LYS A 109 -14.769 4.658 4.043 1.00 0.00 C ATOM 1657 CD LYS A 109 -15.108 4.425 5.518 1.00 0.00 C ATOM 1658 CE LYS A 109 -15.035 5.753 6.268 1.00 0.00 C ATOM 1659 NZ LYS A 109 -15.636 5.643 7.608 1.00 0.00 N ATOM 0 H LYS A 109 -11.989 3.714 4.740 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.015 1.979 2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.981 3.409 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -15.032 2.536 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.882 5.288 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.585 5.200 3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -16.106 3.996 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.412 3.709 5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.995 6.066 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.552 6.525 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.572 6.560 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.635 5.368 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.126 4.923 8.159 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.647 4.009 0.993 1.00 0.00 N ATOM 1674 CA ASP A 110 -12.176 5.024 0.074 1.00 0.00 C ATOM 1675 C ASP A 110 -13.262 6.099 0.074 1.00 0.00 C ATOM 1676 O ASP A 110 -14.315 6.009 -0.555 1.00 0.00 O ATOM 1677 CB ASP A 110 -11.719 4.451 -1.279 1.00 0.00 C ATOM 1678 CG ASP A 110 -12.709 4.596 -2.428 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -13.633 3.753 -2.529 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -12.506 5.507 -3.263 1.00 0.00 O ATOM 0 H ASP A 110 -13.240 3.305 0.553 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.241 5.492 0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.787 4.940 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.496 3.392 -1.147 1.00 0.00 H new ATOM 1685 N SER A 111 -13.089 7.059 0.968 1.00 0.00 N ATOM 1686 CA SER A 111 -13.849 8.293 1.062 1.00 0.00 C ATOM 1687 C SER A 111 -12.877 9.452 1.303 1.00 0.00 C ATOM 1688 O SER A 111 -12.493 9.706 2.443 1.00 0.00 O ATOM 1689 CB SER A 111 -14.857 8.112 2.192 1.00 0.00 C ATOM 1690 OG SER A 111 -15.848 7.179 1.795 1.00 0.00 O ATOM 0 H SER A 111 -12.371 6.993 1.690 1.00 0.00 H new ATOM 0 HA SER A 111 -14.394 8.525 0.147 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.352 7.761 3.092 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.320 9.068 2.438 1.00 0.00 H new ATOM 0 HG SER A 111 -15.597 6.781 0.935 1.00 0.00 H new ATOM 1696 N ASP A 112 -12.364 10.056 0.226 1.00 0.00 N ATOM 1697 CA ASP A 112 -11.737 11.380 0.211 1.00 0.00 C ATOM 1698 C ASP A 112 -11.629 11.830 -1.236 1.00 0.00 C ATOM 1699 O ASP A 112 -10.758 11.362 -1.979 1.00 0.00 O ATOM 1700 CB ASP A 112 -10.337 11.397 0.843 1.00 0.00 C ATOM 1701 CG ASP A 112 -9.688 12.790 0.878 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -9.392 13.370 -0.191 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -9.437 13.291 1.996 1.00 0.00 O ATOM 0 H ASP A 112 -12.375 9.618 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.359 12.049 0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.403 11.012 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.690 10.719 0.287 1.00 0.00 H new ATOM 1708 N TYR A 113 -12.531 12.705 -1.654 1.00 0.00 N ATOM 1709 CA TYR A 113 -12.340 13.582 -2.797 1.00 0.00 C ATOM 1710 C TYR A 113 -13.336 14.735 -2.676 1.00 0.00 C ATOM 1711 O TYR A 113 -14.191 14.731 -1.790 1.00 0.00 O ATOM 1712 CB TYR A 113 -12.500 12.792 -4.115 1.00 0.00 C ATOM 1713 CG TYR A 113 -11.254 12.840 -4.977 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -10.940 14.034 -5.651 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -10.345 11.761 -5.015 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -9.668 14.209 -6.210 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -9.077 11.926 -5.589 1.00 0.00 C ATOM 1718 CZ TYR A 113 -8.713 13.179 -6.121 1.00 0.00 C ATOM 1719 OH TYR A 113 -7.423 13.434 -6.439 1.00 0.00 O ATOM 0 H TYR A 113 -13.435 12.827 -1.198 1.00 0.00 H new ATOM 0 HA TYR A 113 -11.330 13.992 -2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -12.739 11.754 -3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -13.342 13.196 -4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.680 14.816 -5.737 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -10.628 10.805 -4.600 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -9.420 15.134 -6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -8.384 11.099 -5.623 1.00 0.00 H new ATOM 0 HH TYR A 113 -6.854 13.261 -5.660 1.00 0.00 H new ATOM 1729 N GLU A 114 -13.261 15.699 -3.588 1.00 0.00 N ATOM 1730 CA GLU A 114 -14.344 16.617 -3.892 1.00 0.00 C ATOM 1731 C GLU A 114 -14.605 16.490 -5.390 1.00 0.00 C ATOM 1732 O GLU A 114 -13.660 16.413 -6.183 1.00 0.00 O ATOM 1733 CB GLU A 114 -14.032 18.055 -3.453 1.00 0.00 C ATOM 1734 CG GLU A 114 -12.681 18.600 -3.941 1.00 0.00 C ATOM 1735 CD GLU A 114 -12.635 20.120 -3.824 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -12.702 20.639 -2.689 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -12.607 20.803 -4.879 1.00 0.00 O ATOM 0 H GLU A 114 -12.424 15.864 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.243 16.362 -3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -14.824 18.710 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.054 18.100 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.874 18.161 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.518 18.306 -4.978 1.00 0.00 H new ATOM 1744 N VAL A 115 -15.875 16.439 -5.788 1.00 0.00 N ATOM 1745 CA VAL A 115 -16.261 16.431 -7.186 1.00 0.00 C ATOM 1746 C VAL A 115 -16.144 17.854 -7.737 1.00 0.00 C ATOM 1747 O VAL A 115 -17.117 18.614 -7.837 1.00 0.00 O ATOM 1748 CB VAL A 115 -17.634 15.760 -7.386 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -17.447 14.236 -7.400 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -18.699 16.129 -6.340 1.00 0.00 C ATOM 0 H VAL A 115 -16.664 16.402 -5.142 1.00 0.00 H new ATOM 0 HA VAL A 115 -15.582 15.812 -7.773 1.00 0.00 H new ATOM 0 HB VAL A 115 -18.014 16.136 -8.336 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -18.413 13.752 -7.541 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.780 13.959 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -17.015 13.914 -6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -19.628 15.607 -6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -18.352 15.837 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -18.873 17.205 -6.362 1.00 0.00 H new ATOM 1760 N HIS A 116 -14.915 18.210 -8.100 1.00 0.00 N ATOM 1761 CA HIS A 116 -14.577 19.374 -8.898 1.00 0.00 C ATOM 1762 C HIS A 116 -13.393 19.044 -9.802 1.00 0.00 C ATOM 1763 O HIS A 116 -12.824 17.952 -9.715 1.00 0.00 O ATOM 1764 CB HIS A 116 -14.292 20.587 -7.986 1.00 0.00 C ATOM 1765 CG HIS A 116 -15.392 21.625 -7.924 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -15.475 22.641 -6.988 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -16.457 21.755 -8.777 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -16.574 23.364 -7.278 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -17.196 22.831 -8.345 1.00 0.00 N ATOM 0 H HIS A 116 -14.094 17.667 -7.831 1.00 0.00 H new ATOM 0 HA HIS A 116 -15.421 19.644 -9.533 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -14.101 20.224 -6.976 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -13.378 21.071 -8.329 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -16.675 21.129 -9.630 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -16.905 24.238 -6.737 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -18.065 23.167 -8.761 1.00 0.00 H new ATOM 1778 N ASP A 117 -13.069 20.003 -10.670 1.00 0.00 N ATOM 1779 CA ASP A 117 -12.073 19.954 -11.736 1.00 0.00 C ATOM 1780 C ASP A 117 -12.412 18.898 -12.798 1.00 0.00 C ATOM 1781 O ASP A 117 -13.394 18.166 -12.647 1.00 0.00 O ATOM 1782 CB ASP A 117 -10.669 19.788 -11.133 1.00 0.00 C ATOM 1783 CG ASP A 117 -9.617 19.997 -12.204 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -9.640 21.056 -12.864 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -8.801 19.086 -12.459 1.00 0.00 O ATOM 0 H ASP A 117 -13.537 20.909 -10.641 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.086 20.903 -12.273 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -10.524 20.505 -10.325 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -10.566 18.793 -10.699 1.00 0.00 H new ATOM 1790 N HIS A 118 -11.652 18.824 -13.902 1.00 0.00 N ATOM 1791 CA HIS A 118 -11.619 17.664 -14.795 1.00 0.00 C ATOM 1792 C HIS A 118 -10.295 17.628 -15.572 1.00 0.00 C ATOM 1793 O HIS A 118 -10.299 17.609 -16.808 1.00 0.00 O ATOM 1794 CB HIS A 118 -12.846 17.654 -15.722 1.00 0.00 C ATOM 1795 CG HIS A 118 -13.046 16.389 -16.527 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -13.927 16.268 -17.586 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -12.432 15.176 -16.343 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -13.830 15.009 -18.049 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -12.927 14.331 -17.315 1.00 0.00 N ATOM 0 H HIS A 118 -11.036 19.581 -14.200 1.00 0.00 H new ATOM 0 HA HIS A 118 -11.669 16.753 -14.199 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.737 17.824 -15.118 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -12.765 18.494 -16.412 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -11.703 14.930 -15.585 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -14.389 14.605 -18.880 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -12.655 13.358 -17.454 1.00 0.00 H new ATOM 1808 N HIS A 119 -9.170 17.592 -14.850 1.00 0.00 N ATOM 1809 CA HIS A 119 -7.810 17.585 -15.390 1.00 0.00 C ATOM 1810 C HIS A 119 -7.683 16.665 -16.605 1.00 0.00 C ATOM 1811 O HIS A 119 -8.093 15.499 -16.542 1.00 0.00 O ATOM 1812 CB HIS A 119 -6.816 17.169 -14.285 1.00 0.00 C ATOM 1813 CG HIS A 119 -5.527 17.946 -14.326 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -4.248 17.426 -14.417 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -5.429 19.300 -14.163 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -3.391 18.460 -14.322 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -4.084 19.603 -14.170 1.00 0.00 N ATOM 0 H HIS A 119 -9.185 17.566 -13.830 1.00 0.00 H new ATOM 0 HA HIS A 119 -7.574 18.594 -15.728 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.286 17.308 -13.311 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.596 16.106 -14.384 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -6.246 19.997 -14.051 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -2.314 18.384 -14.362 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.682 20.536 -14.076 1.00 0.00 H new ATOM 1826 N HIS A 120 -7.099 17.147 -17.704 1.00 0.00 N ATOM 1827 CA HIS A 120 -6.836 16.330 -18.892 1.00 0.00 C ATOM 1828 C HIS A 120 -5.493 16.686 -19.513 1.00 0.00 C ATOM 1829 O HIS A 120 -4.839 17.611 -19.036 1.00 0.00 O ATOM 1830 CB HIS A 120 -8.018 16.397 -19.876 1.00 0.00 C ATOM 1831 CG HIS A 120 -8.085 17.588 -20.804 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -8.778 17.602 -22.002 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -7.483 18.808 -20.646 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -8.577 18.799 -22.576 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -7.789 19.542 -21.775 1.00 0.00 N ATOM 0 H HIS A 120 -6.794 18.116 -17.796 1.00 0.00 H new ATOM 0 HA HIS A 120 -6.755 15.284 -18.596 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.999 15.495 -20.487 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.941 16.370 -19.296 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.887 19.132 -19.805 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -8.982 19.115 -23.526 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -7.471 20.491 -21.970 1.00 0.00 H new ATOM 1844 N HIS A 121 -5.110 15.984 -20.588 1.00 0.00 N ATOM 1845 CA HIS A 121 -3.765 15.997 -21.171 1.00 0.00 C ATOM 1846 C HIS A 121 -2.763 15.385 -20.177 1.00 0.00 C ATOM 1847 O HIS A 121 -3.138 15.025 -19.053 1.00 0.00 O ATOM 1848 CB HIS A 121 -3.400 17.422 -21.662 1.00 0.00 C ATOM 1849 CG HIS A 121 -2.167 17.525 -22.525 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -0.968 18.110 -22.151 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -2.073 17.161 -23.841 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -0.162 18.099 -23.226 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -0.804 17.517 -24.259 1.00 0.00 N ATOM 0 H HIS A 121 -5.751 15.371 -21.092 1.00 0.00 H new ATOM 0 HA HIS A 121 -3.727 15.370 -22.062 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -4.246 17.820 -22.222 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -3.265 18.062 -20.790 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.840 16.688 -24.436 1.00 0.00 H new ATOM 0 HE1 HIS A 121 0.843 18.494 -23.258 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -0.419 17.365 -25.191 1.00 0.00 H new ATOM 1862 N GLU A 122 -1.504 15.255 -20.616 1.00 0.00 N ATOM 1863 CA GLU A 122 -0.349 14.734 -19.882 1.00 0.00 C ATOM 1864 C GLU A 122 -0.464 13.213 -19.703 1.00 0.00 C ATOM 1865 O GLU A 122 -1.375 12.724 -19.034 1.00 0.00 O ATOM 1866 CB GLU A 122 -0.202 15.493 -18.556 1.00 0.00 C ATOM 1867 CG GLU A 122 1.183 15.445 -17.916 1.00 0.00 C ATOM 1868 CD GLU A 122 1.213 16.298 -16.641 1.00 0.00 C ATOM 1869 OE1 GLU A 122 0.290 16.144 -15.784 1.00 0.00 O ATOM 1870 OE2 GLU A 122 2.122 17.123 -16.450 1.00 0.00 O ATOM 0 H GLU A 122 -1.250 15.533 -21.564 1.00 0.00 H new ATOM 0 HA GLU A 122 0.565 14.901 -20.452 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -0.468 16.536 -18.724 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -0.924 15.090 -17.846 1.00 0.00 H new ATOM 0 HG2 GLU A 122 1.445 14.414 -17.678 1.00 0.00 H new ATOM 0 HG3 GLU A 122 1.930 15.809 -18.622 1.00 0.00 H new ATOM 1877 N HIS A 123 0.409 12.451 -20.366 1.00 0.00 N ATOM 1878 CA HIS A 123 0.495 10.991 -20.272 1.00 0.00 C ATOM 1879 C HIS A 123 1.926 10.585 -20.645 1.00 0.00 C ATOM 1880 O HIS A 123 2.463 11.173 -21.593 1.00 0.00 O ATOM 1881 CB HIS A 123 -0.540 10.367 -21.222 1.00 0.00 C ATOM 1882 CG HIS A 123 -0.670 8.883 -21.034 1.00 0.00 C ATOM 1883 ND1 HIS A 123 -1.604 8.233 -20.243 1.00 0.00 N ATOM 1884 CD2 HIS A 123 0.157 7.951 -21.588 1.00 0.00 C ATOM 1885 CE1 HIS A 123 -1.324 6.917 -20.306 1.00 0.00 C ATOM 1886 NE2 HIS A 123 -0.262 6.731 -21.112 1.00 0.00 N ATOM 0 H HIS A 123 1.099 12.846 -21.005 1.00 0.00 H new ATOM 0 HA HIS A 123 0.276 10.637 -19.265 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.509 10.837 -21.058 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -0.255 10.576 -22.253 1.00 0.00 H new ATOM 0 HD2 HIS A 123 0.978 8.135 -22.266 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -1.865 6.136 -19.792 1.00 0.00 H new ATOM 0 HE2 HIS A 123 0.163 5.831 -21.334 1.00 0.00 H new ATOM 1895 N HIS A 124 2.555 9.648 -19.928 1.00 0.00 N ATOM 1896 CA HIS A 124 4.003 9.428 -19.971 1.00 0.00 C ATOM 1897 C HIS A 124 4.320 7.932 -20.061 1.00 0.00 C ATOM 1898 O HIS A 124 5.487 7.546 -19.816 1.00 0.00 O ATOM 1899 CB HIS A 124 4.625 10.101 -18.727 1.00 0.00 C ATOM 1900 CG HIS A 124 6.075 10.497 -18.867 1.00 0.00 C ATOM 1901 ND1 HIS A 124 7.121 10.056 -18.076 1.00 0.00 N ATOM 1902 CD2 HIS A 124 6.587 11.364 -19.794 1.00 0.00 C ATOM 1903 CE1 HIS A 124 8.251 10.631 -18.529 1.00 0.00 C ATOM 1904 NE2 HIS A 124 7.951 11.425 -19.572 1.00 0.00 N ATOM 0 H HIS A 124 2.067 9.014 -19.295 1.00 0.00 H new ATOM 0 HA HIS A 124 4.439 9.878 -20.863 1.00 0.00 H new ATOM 0 HB2 HIS A 124 4.044 10.991 -18.487 1.00 0.00 H new ATOM 0 HB3 HIS A 124 4.531 9.421 -17.881 1.00 0.00 H new ATOM 0 HD2 HIS A 124 6.033 11.897 -20.552 1.00 0.00 H new ATOM 0 HE1 HIS A 124 9.239 10.479 -18.121 1.00 0.00 H new ATOM 0 HE2 HIS A 124 8.618 11.979 -20.109 1.00 0.00 H new TER 1913 HIS A 124