USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 921 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 72 THR OG1 : rot 106:sc= 0.99 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -13.3! C(o=-12!,f=-11!) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= -0.763 USER MOD Set 2.2: A 109 SER OG : rot -38:sc= 1.11 USER MOD Set 3.1: A 18 TYR OH : rot 180:sc= 0.377 USER MOD Set 3.2: A 21 THR OG1 : rot 167:sc= -0.438 USER MOD Set 4.1: A 14 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.05) USER MOD Set 4.2: A 53 ASN : amide:sc= 0 X(o=1.1,f=1) USER MOD Set 5.1: A 1 MET N :NH3+ 160:sc= 0 (180deg=-0.515) USER MOD Set 5.2: A 2 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= -0.543 (180deg=-0.64) USER MOD Single : A 13 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.7) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -76:sc= 0.953 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 35:sc= 0.936 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.651 USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= 1.21 (180deg=0.516) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -55:sc= 0.258 USER MOD Single : A 54 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.48) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.779 K(o=-0.78,f=-0.2) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 71 ASN : amide:sc= 0.0961 K(o=0.096,f=-2.4!) USER MOD Single : A 79 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.037) USER MOD Single : A 81 THR OG1 : rot -100:sc= 1.27 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 39:sc= 0.0169 USER MOD Single : A 92 SER OG : rot 108:sc= 0.168 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0979 X(o=-0.098,f=-0.11) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0.0159 X(o=0.016,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.923 -0.714 -11.911 1.00 0.00 N ATOM 2 CA MET A 1 12.329 -1.228 -11.941 1.00 0.00 C ATOM 3 C MET A 1 13.320 -0.067 -12.124 1.00 0.00 C ATOM 4 O MET A 1 14.220 -0.126 -12.942 1.00 0.00 O ATOM 5 CB MET A 1 12.390 -2.196 -13.134 1.00 0.00 C ATOM 6 CG MET A 1 11.950 -1.484 -14.420 1.00 0.00 C ATOM 7 SD MET A 1 12.588 -2.385 -15.855 1.00 0.00 S ATOM 8 CE MET A 1 14.161 -1.502 -15.998 1.00 0.00 C ATOM 0 H1 MET A 1 10.265 -1.490 -12.127 1.00 0.00 H new ATOM 0 H2 MET A 1 10.712 -0.334 -10.966 1.00 0.00 H new ATOM 0 H3 MET A 1 10.814 0.040 -12.619 1.00 0.00 H new ATOM 0 HA MET A 1 12.600 -1.727 -11.010 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.404 -2.577 -13.250 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.746 -3.055 -12.947 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.862 -1.430 -14.465 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.321 -0.459 -14.426 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.729 -1.904 -16.837 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.969 -0.442 -16.164 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.734 -1.628 -15.079 1.00 0.00 H new ATOM 20 N ASN A 2 13.158 0.987 -11.366 1.00 0.00 N ATOM 21 CA ASN A 2 14.080 2.158 -11.489 1.00 0.00 C ATOM 22 C ASN A 2 14.688 2.498 -10.122 1.00 0.00 C ATOM 23 O ASN A 2 14.537 1.756 -9.169 1.00 0.00 O ATOM 24 CB ASN A 2 13.194 3.305 -11.989 1.00 0.00 C ATOM 25 CG ASN A 2 12.759 3.027 -13.432 1.00 0.00 C ATOM 26 OD1 ASN A 2 11.792 2.329 -13.663 1.00 0.00 O ATOM 27 ND2 ASN A 2 13.439 3.545 -14.419 1.00 0.00 N ATOM 0 H ASN A 2 12.424 1.088 -10.664 1.00 0.00 H new ATOM 0 HA ASN A 2 14.913 1.963 -12.164 1.00 0.00 H new ATOM 0 HB2 ASN A 2 12.318 3.408 -11.348 1.00 0.00 H new ATOM 0 HB3 ASN A 2 13.739 4.248 -11.938 1.00 0.00 H new ATOM 0 HD21 ASN A 2 13.158 3.363 -15.383 1.00 0.00 H new ATOM 0 HD22 ASN A 2 14.251 4.131 -14.226 1.00 0.00 H new ATOM 34 N GLU A 3 15.371 3.612 -10.020 1.00 0.00 N ATOM 35 CA GLU A 3 15.985 4.003 -8.713 1.00 0.00 C ATOM 36 C GLU A 3 14.895 4.504 -7.753 1.00 0.00 C ATOM 37 O GLU A 3 14.771 5.688 -7.493 1.00 0.00 O ATOM 38 CB GLU A 3 16.977 5.123 -9.054 1.00 0.00 C ATOM 39 CG GLU A 3 18.134 5.107 -8.052 1.00 0.00 C ATOM 40 CD GLU A 3 19.389 5.684 -8.710 1.00 0.00 C ATOM 41 OE1 GLU A 3 20.136 4.916 -9.294 1.00 0.00 O ATOM 42 OE2 GLU A 3 19.584 6.885 -8.616 1.00 0.00 O ATOM 0 H GLU A 3 15.530 4.267 -10.785 1.00 0.00 H new ATOM 0 HA GLU A 3 16.482 3.169 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 3 17.358 4.989 -10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 3 16.473 6.089 -9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.872 5.691 -7.169 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.323 4.088 -7.715 1.00 0.00 H new ATOM 49 N VAL A 4 14.096 3.605 -7.236 1.00 0.00 N ATOM 50 CA VAL A 4 13.001 4.007 -6.302 1.00 0.00 C ATOM 51 C VAL A 4 13.227 3.385 -4.918 1.00 0.00 C ATOM 52 O VAL A 4 13.421 2.190 -4.790 1.00 0.00 O ATOM 53 CB VAL A 4 11.719 3.458 -6.941 1.00 0.00 C ATOM 54 CG1 VAL A 4 10.529 3.698 -6.008 1.00 0.00 C ATOM 55 CG2 VAL A 4 11.468 4.167 -8.277 1.00 0.00 C ATOM 0 H VAL A 4 14.156 2.604 -7.422 1.00 0.00 H new ATOM 0 HA VAL A 4 12.955 5.086 -6.156 1.00 0.00 H new ATOM 0 HB VAL A 4 11.834 2.387 -7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.622 3.306 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.703 3.192 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.414 4.768 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.557 3.777 -8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.358 5.238 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.310 3.991 -8.946 1.00 0.00 H new ATOM 65 N SER A 5 13.194 4.188 -3.884 1.00 0.00 N ATOM 66 CA SER A 5 13.397 3.650 -2.503 1.00 0.00 C ATOM 67 C SER A 5 12.065 3.622 -1.746 1.00 0.00 C ATOM 68 O SER A 5 11.099 4.246 -2.147 1.00 0.00 O ATOM 69 CB SER A 5 14.375 4.619 -1.836 1.00 0.00 C ATOM 70 OG SER A 5 15.706 4.231 -2.151 1.00 0.00 O ATOM 0 H SER A 5 13.035 5.194 -3.936 1.00 0.00 H new ATOM 0 HA SER A 5 13.780 2.629 -2.510 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.189 5.636 -2.180 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.229 4.616 -0.756 1.00 0.00 H new ATOM 0 HG SER A 5 16.336 4.850 -1.727 1.00 0.00 H new ATOM 76 N VAL A 6 12.004 2.906 -0.650 1.00 0.00 N ATOM 77 CA VAL A 6 10.731 2.841 0.136 1.00 0.00 C ATOM 78 C VAL A 6 10.602 4.081 1.032 1.00 0.00 C ATOM 79 O VAL A 6 11.555 4.507 1.657 1.00 0.00 O ATOM 80 CB VAL A 6 10.836 1.568 0.983 1.00 0.00 C ATOM 81 CG1 VAL A 6 9.673 1.510 1.978 1.00 0.00 C ATOM 82 CG2 VAL A 6 10.778 0.340 0.070 1.00 0.00 C ATOM 0 H VAL A 6 12.778 2.365 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 6 9.852 2.819 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 6 11.780 1.578 1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.752 0.603 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.709 2.382 2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.729 1.504 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.853 -0.565 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.834 0.336 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.606 0.374 -0.638 1.00 0.00 H new ATOM 92 N ILE A 7 9.427 4.656 1.098 1.00 0.00 N ATOM 93 CA ILE A 7 9.227 5.866 1.955 1.00 0.00 C ATOM 94 C ILE A 7 8.645 5.458 3.314 1.00 0.00 C ATOM 95 O ILE A 7 9.027 5.989 4.339 1.00 0.00 O ATOM 96 CB ILE A 7 8.249 6.762 1.175 1.00 0.00 C ATOM 97 CG1 ILE A 7 9.045 7.720 0.284 1.00 0.00 C ATOM 98 CG2 ILE A 7 7.384 7.582 2.142 1.00 0.00 C ATOM 99 CD1 ILE A 7 9.569 6.969 -0.941 1.00 0.00 C ATOM 0 H ILE A 7 8.597 4.340 0.596 1.00 0.00 H new ATOM 0 HA ILE A 7 10.162 6.388 2.160 1.00 0.00 H new ATOM 0 HB ILE A 7 7.601 6.130 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.413 8.551 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.877 8.147 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.698 8.210 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.814 6.908 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.025 8.211 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.135 7.654 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.217 6.154 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.730 6.564 -1.506 1.00 0.00 H new ATOM 111 N LYS A 8 7.722 4.530 3.331 1.00 0.00 N ATOM 112 CA LYS A 8 7.123 4.105 4.630 1.00 0.00 C ATOM 113 C LYS A 8 6.649 2.653 4.555 1.00 0.00 C ATOM 114 O LYS A 8 6.061 2.231 3.577 1.00 0.00 O ATOM 115 CB LYS A 8 5.935 5.046 4.848 1.00 0.00 C ATOM 116 CG LYS A 8 5.736 5.282 6.349 1.00 0.00 C ATOM 117 CD LYS A 8 5.251 6.715 6.583 1.00 0.00 C ATOM 118 CE LYS A 8 5.503 7.115 8.043 1.00 0.00 C ATOM 119 NZ LYS A 8 4.164 7.063 8.701 1.00 0.00 N ATOM 0 H LYS A 8 7.360 4.051 2.506 1.00 0.00 H new ATOM 0 HA LYS A 8 7.843 4.158 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.111 5.994 4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.032 4.615 4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.010 4.572 6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.672 5.112 6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.772 7.399 5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.188 6.791 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.204 6.432 8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.935 8.113 8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.223 7.500 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.472 7.581 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.863 6.072 8.797 1.00 0.00 H new ATOM 133 N GLU A 9 6.895 1.891 5.586 1.00 0.00 N ATOM 134 CA GLU A 9 6.456 0.464 5.593 1.00 0.00 C ATOM 135 C GLU A 9 5.914 0.083 6.973 1.00 0.00 C ATOM 136 O GLU A 9 6.387 0.553 7.991 1.00 0.00 O ATOM 137 CB GLU A 9 7.707 -0.355 5.248 1.00 0.00 C ATOM 138 CG GLU A 9 8.824 -0.080 6.261 1.00 0.00 C ATOM 139 CD GLU A 9 10.117 -0.744 5.784 1.00 0.00 C ATOM 140 OE1 GLU A 9 10.743 -0.201 4.888 1.00 0.00 O ATOM 141 OE2 GLU A 9 10.458 -1.785 6.323 1.00 0.00 O ATOM 0 H GLU A 9 7.383 2.196 6.428 1.00 0.00 H new ATOM 0 HA GLU A 9 5.653 0.280 4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.464 -1.418 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.048 -0.103 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.973 0.994 6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.544 -0.466 7.241 1.00 0.00 H new ATOM 148 N GLY A 10 4.917 -0.760 7.009 1.00 0.00 N ATOM 149 CA GLY A 10 4.330 -1.172 8.317 1.00 0.00 C ATOM 150 C GLY A 10 3.410 -2.376 8.115 1.00 0.00 C ATOM 151 O GLY A 10 2.967 -2.656 7.015 1.00 0.00 O ATOM 0 H GLY A 10 4.483 -1.182 6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.125 -1.424 9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.770 -0.344 8.752 1.00 0.00 H new ATOM 155 N TRP A 11 3.115 -3.087 9.169 1.00 0.00 N ATOM 156 CA TRP A 11 2.221 -4.276 9.047 1.00 0.00 C ATOM 157 C TRP A 11 0.759 -3.828 8.997 1.00 0.00 C ATOM 158 O TRP A 11 0.262 -3.187 9.905 1.00 0.00 O ATOM 159 CB TRP A 11 2.498 -5.121 10.291 1.00 0.00 C ATOM 160 CG TRP A 11 3.776 -5.870 10.099 1.00 0.00 C ATOM 161 CD1 TRP A 11 5.005 -5.404 10.420 1.00 0.00 C ATOM 162 CD2 TRP A 11 3.975 -7.199 9.540 1.00 0.00 C ATOM 163 NE1 TRP A 11 5.944 -6.365 10.097 1.00 0.00 N ATOM 164 CE2 TRP A 11 5.360 -7.490 9.552 1.00 0.00 C ATOM 165 CE3 TRP A 11 3.097 -8.172 9.031 1.00 0.00 C ATOM 166 CZ2 TRP A 11 5.856 -8.702 9.076 1.00 0.00 C ATOM 167 CZ3 TRP A 11 3.594 -9.394 8.549 1.00 0.00 C ATOM 168 CH2 TRP A 11 4.970 -9.657 8.572 1.00 0.00 C ATOM 0 H TRP A 11 3.455 -2.896 10.112 1.00 0.00 H new ATOM 0 HA TRP A 11 2.407 -4.844 8.135 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.565 -4.482 11.172 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.677 -5.817 10.463 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.217 -4.439 10.857 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.947 -6.256 10.244 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.035 -7.979 9.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.917 -8.901 9.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.912 -10.135 8.159 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.346 -10.599 8.200 1.00 0.00 H new ATOM 179 N LEU A 12 0.077 -4.154 7.930 1.00 0.00 N ATOM 180 CA LEU A 12 -1.353 -3.751 7.784 1.00 0.00 C ATOM 181 C LEU A 12 -2.221 -4.983 7.495 1.00 0.00 C ATOM 182 O LEU A 12 -1.720 -6.025 7.118 1.00 0.00 O ATOM 183 CB LEU A 12 -1.367 -2.781 6.596 1.00 0.00 C ATOM 184 CG LEU A 12 -0.384 -1.631 6.858 1.00 0.00 C ATOM 185 CD1 LEU A 12 -0.151 -0.842 5.568 1.00 0.00 C ATOM 186 CD2 LEU A 12 -0.962 -0.701 7.928 1.00 0.00 C ATOM 0 H LEU A 12 0.454 -4.687 7.146 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.753 -3.291 8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.092 -3.306 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.372 -2.387 6.447 1.00 0.00 H new ATOM 0 HG LEU A 12 0.565 -2.041 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.547 -0.028 5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.264 -1.503 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.098 -0.432 5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.265 0.116 8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.913 -0.295 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.120 -1.261 8.850 1.00 0.00 H new ATOM 198 N HIS A 13 -3.515 -4.872 7.673 1.00 0.00 N ATOM 199 CA HIS A 13 -4.416 -6.042 7.416 1.00 0.00 C ATOM 200 C HIS A 13 -5.039 -5.953 6.017 1.00 0.00 C ATOM 201 O HIS A 13 -5.863 -5.101 5.744 1.00 0.00 O ATOM 202 CB HIS A 13 -5.494 -5.965 8.499 1.00 0.00 C ATOM 203 CG HIS A 13 -5.055 -6.765 9.693 1.00 0.00 C ATOM 204 ND1 HIS A 13 -5.736 -7.895 10.122 1.00 0.00 N ATOM 205 CD2 HIS A 13 -3.999 -6.614 10.556 1.00 0.00 C ATOM 206 CE1 HIS A 13 -5.085 -8.376 11.197 1.00 0.00 C ATOM 207 NE2 HIS A 13 -4.019 -7.632 11.505 1.00 0.00 N ATOM 0 H HIS A 13 -3.987 -4.023 7.985 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.874 -6.987 7.451 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.665 -4.927 8.785 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.439 -6.350 8.116 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.264 -5.825 10.506 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.388 -9.257 11.744 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.361 -7.778 12.271 1.00 0.00 H new ATOM 215 N LYS A 14 -4.647 -6.837 5.136 1.00 0.00 N ATOM 216 CA LYS A 14 -5.198 -6.833 3.747 1.00 0.00 C ATOM 217 C LYS A 14 -5.803 -8.206 3.416 1.00 0.00 C ATOM 218 O LYS A 14 -5.285 -9.232 3.818 1.00 0.00 O ATOM 219 CB LYS A 14 -3.991 -6.531 2.854 1.00 0.00 C ATOM 220 CG LYS A 14 -4.386 -6.648 1.378 1.00 0.00 C ATOM 221 CD LYS A 14 -3.542 -7.735 0.710 1.00 0.00 C ATOM 222 CE LYS A 14 -3.767 -7.706 -0.806 1.00 0.00 C ATOM 223 NZ LYS A 14 -4.176 -9.095 -1.163 1.00 0.00 N ATOM 0 H LYS A 14 -3.961 -7.569 5.322 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.995 -6.103 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.618 -5.528 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.181 -7.225 3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.445 -6.890 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.235 -5.694 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.487 -7.578 0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.810 -8.713 1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.539 -6.986 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.859 -7.414 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.249 -9.180 -2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.466 -9.768 -0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.098 -9.307 -0.732 1.00 0.00 H new ATOM 237 N ARG A 15 -6.895 -8.228 2.688 1.00 0.00 N ATOM 238 CA ARG A 15 -7.541 -9.532 2.326 1.00 0.00 C ATOM 239 C ARG A 15 -6.817 -10.183 1.140 1.00 0.00 C ATOM 240 O ARG A 15 -6.312 -9.505 0.264 1.00 0.00 O ATOM 241 CB ARG A 15 -8.991 -9.190 1.950 1.00 0.00 C ATOM 242 CG ARG A 15 -9.026 -8.200 0.776 1.00 0.00 C ATOM 243 CD ARG A 15 -10.090 -8.641 -0.235 1.00 0.00 C ATOM 244 NE ARG A 15 -9.577 -9.928 -0.801 1.00 0.00 N ATOM 245 CZ ARG A 15 -9.019 -9.985 -1.993 1.00 0.00 C ATOM 246 NH1 ARG A 15 -8.877 -8.908 -2.731 1.00 0.00 N ATOM 247 NH2 ARG A 15 -8.596 -11.137 -2.446 1.00 0.00 N ATOM 0 H ARG A 15 -7.368 -7.399 2.328 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.497 -10.242 3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.527 -10.100 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.504 -8.760 2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.248 -7.197 1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.049 -8.155 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.058 -8.780 0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.226 -7.893 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.662 -10.782 -0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.202 -8.005 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.442 -8.974 -3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.700 -11.978 -1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.162 -11.195 -3.367 1.00 0.00 H new ATOM 261 N GLY A 16 -6.765 -11.492 1.102 1.00 0.00 N ATOM 262 CA GLY A 16 -6.078 -12.182 -0.034 1.00 0.00 C ATOM 263 C GLY A 16 -5.306 -13.399 0.482 1.00 0.00 C ATOM 264 O GLY A 16 -4.177 -13.284 0.921 1.00 0.00 O ATOM 0 H GLY A 16 -7.167 -12.111 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.811 -12.495 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.396 -11.492 -0.530 1.00 0.00 H new ATOM 268 N GLU A 17 -5.907 -14.562 0.427 1.00 0.00 N ATOM 269 CA GLU A 17 -5.219 -15.803 0.908 1.00 0.00 C ATOM 270 C GLU A 17 -5.983 -17.047 0.431 1.00 0.00 C ATOM 271 O GLU A 17 -5.467 -17.851 -0.323 1.00 0.00 O ATOM 272 CB GLU A 17 -5.239 -15.704 2.439 1.00 0.00 C ATOM 273 CG GLU A 17 -4.420 -16.850 3.046 1.00 0.00 C ATOM 274 CD GLU A 17 -3.400 -16.287 4.040 1.00 0.00 C ATOM 275 OE1 GLU A 17 -3.815 -15.643 4.992 1.00 0.00 O ATOM 276 OE2 GLU A 17 -2.219 -16.509 3.831 1.00 0.00 O ATOM 0 H GLU A 17 -6.850 -14.707 0.068 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.203 -15.890 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.829 -14.745 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.266 -15.747 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.081 -17.555 3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.908 -17.401 2.257 1.00 0.00 H new ATOM 283 N TYR A 18 -7.211 -17.203 0.864 1.00 0.00 N ATOM 284 CA TYR A 18 -8.028 -18.385 0.439 1.00 0.00 C ATOM 285 C TYR A 18 -9.502 -17.982 0.243 1.00 0.00 C ATOM 286 O TYR A 18 -10.153 -18.436 -0.679 1.00 0.00 O ATOM 287 CB TYR A 18 -7.866 -19.431 1.559 1.00 0.00 C ATOM 288 CG TYR A 18 -8.484 -18.948 2.855 1.00 0.00 C ATOM 289 CD1 TYR A 18 -7.815 -18.004 3.645 1.00 0.00 C ATOM 290 CD2 TYR A 18 -9.722 -19.453 3.269 1.00 0.00 C ATOM 291 CE1 TYR A 18 -8.385 -17.565 4.845 1.00 0.00 C ATOM 292 CE2 TYR A 18 -10.291 -19.015 4.471 1.00 0.00 C ATOM 293 CZ TYR A 18 -9.621 -18.070 5.258 1.00 0.00 C ATOM 294 OH TYR A 18 -10.182 -17.636 6.444 1.00 0.00 O ATOM 0 H TYR A 18 -7.685 -16.559 1.497 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.696 -18.788 -0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -8.335 -20.367 1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.808 -19.640 1.714 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.859 -17.615 3.328 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -10.239 -20.181 2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.870 -16.836 5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.246 -19.406 4.791 1.00 0.00 H new ATOM 0 HH TYR A 18 -11.042 -18.085 6.582 1.00 0.00 H new ATOM 304 N ILE A 19 -10.027 -17.125 1.087 1.00 0.00 N ATOM 305 CA ILE A 19 -11.447 -16.681 0.936 1.00 0.00 C ATOM 306 C ILE A 19 -11.550 -15.175 1.248 1.00 0.00 C ATOM 307 O ILE A 19 -10.550 -14.481 1.294 1.00 0.00 O ATOM 308 CB ILE A 19 -12.235 -17.544 1.940 1.00 0.00 C ATOM 309 CG1 ILE A 19 -13.670 -17.738 1.433 1.00 0.00 C ATOM 310 CG2 ILE A 19 -12.264 -16.879 3.319 1.00 0.00 C ATOM 311 CD1 ILE A 19 -13.975 -19.233 1.315 1.00 0.00 C ATOM 0 H ILE A 19 -9.530 -16.713 1.877 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.839 -16.808 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.741 -18.512 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -14.375 -17.266 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.793 -17.254 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.825 -17.505 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.245 -16.755 3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.743 -15.903 3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.995 -19.369 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.278 -19.692 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.870 -19.704 2.292 1.00 0.00 H new ATOM 323 N LYS A 20 -12.741 -14.662 1.457 1.00 0.00 N ATOM 324 CA LYS A 20 -12.889 -13.201 1.761 1.00 0.00 C ATOM 325 C LYS A 20 -12.462 -12.906 3.210 1.00 0.00 C ATOM 326 O LYS A 20 -13.263 -12.515 4.039 1.00 0.00 O ATOM 327 CB LYS A 20 -14.379 -12.899 1.557 1.00 0.00 C ATOM 328 CG LYS A 20 -14.566 -11.402 1.300 1.00 0.00 C ATOM 329 CD LYS A 20 -15.936 -11.157 0.662 1.00 0.00 C ATOM 330 CE LYS A 20 -16.056 -9.684 0.259 1.00 0.00 C ATOM 331 NZ LYS A 20 -17.237 -9.624 -0.652 1.00 0.00 N ATOM 0 H LYS A 20 -13.614 -15.189 1.430 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.260 -12.582 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.766 -13.474 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.946 -13.201 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.486 -10.849 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.777 -11.034 0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.061 -11.796 -0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.728 -11.419 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.199 -9.047 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.153 -9.338 -0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.381 -8.644 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.070 -10.234 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.084 -9.952 -0.145 1.00 0.00 H new ATOM 345 N THR A 21 -11.202 -13.090 3.512 1.00 0.00 N ATOM 346 CA THR A 21 -10.703 -12.824 4.898 1.00 0.00 C ATOM 347 C THR A 21 -9.545 -11.817 4.863 1.00 0.00 C ATOM 348 O THR A 21 -8.899 -11.638 3.847 1.00 0.00 O ATOM 349 CB THR A 21 -10.221 -14.185 5.416 1.00 0.00 C ATOM 350 OG1 THR A 21 -11.288 -15.122 5.353 1.00 0.00 O ATOM 351 CG2 THR A 21 -9.746 -14.053 6.865 1.00 0.00 C ATOM 0 H THR A 21 -10.492 -13.415 2.855 1.00 0.00 H new ATOM 0 HA THR A 21 -11.474 -12.395 5.539 1.00 0.00 H new ATOM 0 HB THR A 21 -9.393 -14.530 4.796 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.936 -16.028 5.479 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.405 -15.023 7.226 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.924 -13.338 6.915 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.570 -13.703 7.487 1.00 0.00 H new ATOM 359 N TRP A 22 -9.281 -11.164 5.969 1.00 0.00 N ATOM 360 CA TRP A 22 -8.166 -10.167 6.017 1.00 0.00 C ATOM 361 C TRP A 22 -7.064 -10.661 6.965 1.00 0.00 C ATOM 362 O TRP A 22 -7.338 -11.148 8.047 1.00 0.00 O ATOM 363 CB TRP A 22 -8.793 -8.876 6.561 1.00 0.00 C ATOM 364 CG TRP A 22 -9.847 -8.384 5.613 1.00 0.00 C ATOM 365 CD1 TRP A 22 -11.070 -8.944 5.453 1.00 0.00 C ATOM 366 CD2 TRP A 22 -9.797 -7.249 4.698 1.00 0.00 C ATOM 367 NE1 TRP A 22 -11.768 -8.231 4.496 1.00 0.00 N ATOM 368 CE2 TRP A 22 -11.028 -7.176 4.005 1.00 0.00 C ATOM 369 CE3 TRP A 22 -8.813 -6.287 4.405 1.00 0.00 C ATOM 370 CZ2 TRP A 22 -11.277 -6.187 3.055 1.00 0.00 C ATOM 371 CZ3 TRP A 22 -9.059 -5.289 3.448 1.00 0.00 C ATOM 372 CH2 TRP A 22 -10.289 -5.238 2.775 1.00 0.00 C ATOM 0 H TRP A 22 -9.792 -11.279 6.844 1.00 0.00 H new ATOM 0 HA TRP A 22 -7.712 -10.014 5.038 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.230 -9.059 7.542 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -8.024 -8.114 6.692 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -11.440 -9.807 5.986 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.714 -8.458 4.191 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.863 -6.316 4.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -12.225 -6.154 2.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.297 -4.556 3.229 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.472 -4.467 2.042 1.00 0.00 H new ATOM 383 N ARG A 23 -5.822 -10.534 6.571 1.00 0.00 N ATOM 384 CA ARG A 23 -4.701 -10.991 7.452 1.00 0.00 C ATOM 385 C ARG A 23 -3.590 -9.931 7.497 1.00 0.00 C ATOM 386 O ARG A 23 -3.475 -9.118 6.598 1.00 0.00 O ATOM 387 CB ARG A 23 -4.188 -12.284 6.813 1.00 0.00 C ATOM 388 CG ARG A 23 -5.062 -13.463 7.258 1.00 0.00 C ATOM 389 CD ARG A 23 -4.440 -14.129 8.491 1.00 0.00 C ATOM 390 NE ARG A 23 -5.588 -14.402 9.409 1.00 0.00 N ATOM 391 CZ ARG A 23 -5.418 -14.447 10.714 1.00 0.00 C ATOM 392 NH1 ARG A 23 -4.230 -14.282 11.245 1.00 0.00 N ATOM 393 NH2 ARG A 23 -6.448 -14.669 11.491 1.00 0.00 N ATOM 0 H ARG A 23 -5.535 -10.134 5.678 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.027 -11.150 8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.205 -12.196 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.152 -12.458 7.102 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.069 -13.115 7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.153 -14.187 6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.923 -15.050 8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.705 -13.477 8.963 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.518 -14.556 9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.422 -14.116 10.645 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.114 -14.320 12.258 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.373 -14.806 11.084 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.325 -14.705 12.503 1.00 0.00 H new ATOM 407 N PRO A 24 -2.808 -9.973 8.551 1.00 0.00 N ATOM 408 CA PRO A 24 -1.696 -8.997 8.726 1.00 0.00 C ATOM 409 C PRO A 24 -0.566 -9.251 7.716 1.00 0.00 C ATOM 410 O PRO A 24 -0.065 -10.354 7.586 1.00 0.00 O ATOM 411 CB PRO A 24 -1.222 -9.248 10.157 1.00 0.00 C ATOM 412 CG PRO A 24 -1.623 -10.656 10.454 1.00 0.00 C ATOM 413 CD PRO A 24 -2.880 -10.923 9.671 1.00 0.00 C ATOM 0 HA PRO A 24 -2.009 -7.967 8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.143 -9.118 10.244 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.685 -8.550 10.855 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.834 -11.351 10.168 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.796 -10.792 11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.920 -11.954 9.319 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.771 -10.759 10.277 1.00 0.00 H new ATOM 421 N ARG A 25 -0.167 -8.229 7.002 1.00 0.00 N ATOM 422 CA ARG A 25 0.925 -8.372 5.993 1.00 0.00 C ATOM 423 C ARG A 25 1.849 -7.146 6.047 1.00 0.00 C ATOM 424 O ARG A 25 1.402 -6.041 6.288 1.00 0.00 O ATOM 425 CB ARG A 25 0.205 -8.446 4.642 1.00 0.00 C ATOM 426 CG ARG A 25 -0.030 -9.911 4.264 1.00 0.00 C ATOM 427 CD ARG A 25 -1.455 -10.320 4.652 1.00 0.00 C ATOM 428 NE ARG A 25 -1.578 -11.749 4.236 1.00 0.00 N ATOM 429 CZ ARG A 25 -1.160 -12.726 5.017 1.00 0.00 C ATOM 430 NH1 ARG A 25 -0.595 -12.478 6.174 1.00 0.00 N ATOM 431 NH2 ARG A 25 -1.306 -13.963 4.630 1.00 0.00 N ATOM 0 H ARG A 25 -0.557 -7.290 7.077 1.00 0.00 H new ATOM 0 HA ARG A 25 1.547 -9.249 6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.746 -7.917 4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.801 -7.953 3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.120 -10.049 3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.693 -10.549 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.620 -10.206 5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.195 -9.698 4.148 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.993 -11.973 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.472 -11.515 6.485 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.279 -13.249 6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.740 -14.168 3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.986 -14.725 5.227 1.00 0.00 H new ATOM 445 N TYR A 26 3.127 -7.330 5.825 1.00 0.00 N ATOM 446 CA TYR A 26 4.067 -6.168 5.863 1.00 0.00 C ATOM 447 C TYR A 26 3.883 -5.323 4.598 1.00 0.00 C ATOM 448 O TYR A 26 4.328 -5.688 3.525 1.00 0.00 O ATOM 449 CB TYR A 26 5.472 -6.786 5.907 1.00 0.00 C ATOM 450 CG TYR A 26 6.462 -5.844 6.570 1.00 0.00 C ATOM 451 CD1 TYR A 26 6.160 -4.484 6.744 1.00 0.00 C ATOM 452 CD2 TYR A 26 7.695 -6.343 7.006 1.00 0.00 C ATOM 453 CE1 TYR A 26 7.089 -3.632 7.353 1.00 0.00 C ATOM 454 CE2 TYR A 26 8.622 -5.491 7.615 1.00 0.00 C ATOM 455 CZ TYR A 26 8.321 -4.137 7.789 1.00 0.00 C ATOM 456 OH TYR A 26 9.239 -3.299 8.389 1.00 0.00 O ATOM 0 H TYR A 26 3.558 -8.231 5.620 1.00 0.00 H new ATOM 0 HA TYR A 26 3.894 -5.515 6.718 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.441 -7.729 6.453 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.804 -7.014 4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.210 -4.095 6.408 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.931 -7.388 6.872 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.856 -2.586 7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.572 -5.880 7.951 1.00 0.00 H new ATOM 0 HH TYR A 26 9.672 -2.746 7.706 1.00 0.00 H new ATOM 466 N PHE A 27 3.224 -4.197 4.716 1.00 0.00 N ATOM 467 CA PHE A 27 3.000 -3.327 3.522 1.00 0.00 C ATOM 468 C PHE A 27 4.086 -2.253 3.433 1.00 0.00 C ATOM 469 O PHE A 27 4.410 -1.601 4.408 1.00 0.00 O ATOM 470 CB PHE A 27 1.627 -2.690 3.742 1.00 0.00 C ATOM 471 CG PHE A 27 0.586 -3.481 2.988 1.00 0.00 C ATOM 472 CD1 PHE A 27 0.082 -4.668 3.530 1.00 0.00 C ATOM 473 CD2 PHE A 27 0.130 -3.030 1.743 1.00 0.00 C ATOM 474 CE1 PHE A 27 -0.877 -5.405 2.830 1.00 0.00 C ATOM 475 CE2 PHE A 27 -0.832 -3.767 1.043 1.00 0.00 C ATOM 476 CZ PHE A 27 -1.335 -4.955 1.586 1.00 0.00 C ATOM 0 H PHE A 27 2.832 -3.843 5.588 1.00 0.00 H new ATOM 0 HA PHE A 27 3.040 -3.892 2.590 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.388 -2.672 4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.634 -1.655 3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.434 -5.015 4.490 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.520 -2.114 1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.265 -6.322 3.249 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.186 -3.419 0.084 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.076 -5.524 1.045 1.00 0.00 H new ATOM 486 N LEU A 28 4.648 -2.070 2.265 1.00 0.00 N ATOM 487 CA LEU A 28 5.722 -1.045 2.091 1.00 0.00 C ATOM 488 C LEU A 28 5.376 -0.102 0.932 1.00 0.00 C ATOM 489 O LEU A 28 5.155 -0.532 -0.185 1.00 0.00 O ATOM 490 CB LEU A 28 6.990 -1.843 1.760 1.00 0.00 C ATOM 491 CG LEU A 28 7.359 -2.759 2.932 1.00 0.00 C ATOM 492 CD1 LEU A 28 7.019 -4.210 2.578 1.00 0.00 C ATOM 493 CD2 LEU A 28 8.860 -2.646 3.212 1.00 0.00 C ATOM 0 H LEU A 28 4.408 -2.589 1.420 1.00 0.00 H new ATOM 0 HA LEU A 28 5.845 -0.429 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.830 -2.438 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.813 -1.161 1.549 1.00 0.00 H new ATOM 0 HG LEU A 28 6.796 -2.459 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.282 -4.859 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.951 -4.294 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.581 -4.510 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.125 -3.297 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.419 -2.946 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.106 -1.615 3.465 1.00 0.00 H new ATOM 505 N LEU A 29 5.343 1.183 1.189 1.00 0.00 N ATOM 506 CA LEU A 29 5.028 2.166 0.106 1.00 0.00 C ATOM 507 C LEU A 29 6.331 2.768 -0.434 1.00 0.00 C ATOM 508 O LEU A 29 7.148 3.271 0.316 1.00 0.00 O ATOM 509 CB LEU A 29 4.167 3.245 0.769 1.00 0.00 C ATOM 510 CG LEU A 29 3.773 4.300 -0.271 1.00 0.00 C ATOM 511 CD1 LEU A 29 2.611 3.780 -1.122 1.00 0.00 C ATOM 512 CD2 LEU A 29 3.343 5.585 0.442 1.00 0.00 C ATOM 0 H LEU A 29 5.521 1.594 2.105 1.00 0.00 H new ATOM 0 HA LEU A 29 4.508 1.706 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.273 2.796 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.717 3.713 1.586 1.00 0.00 H new ATOM 0 HG LEU A 29 4.629 4.506 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.335 4.533 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.915 2.866 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.756 3.570 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.063 6.335 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.490 5.375 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.170 5.961 1.045 1.00 0.00 H new ATOM 524 N LYS A 30 6.536 2.704 -1.727 1.00 0.00 N ATOM 525 CA LYS A 30 7.799 3.254 -2.316 1.00 0.00 C ATOM 526 C LYS A 30 7.567 4.637 -2.943 1.00 0.00 C ATOM 527 O LYS A 30 6.463 5.152 -2.958 1.00 0.00 O ATOM 528 CB LYS A 30 8.211 2.240 -3.388 1.00 0.00 C ATOM 529 CG LYS A 30 8.294 0.839 -2.769 1.00 0.00 C ATOM 530 CD LYS A 30 9.497 0.090 -3.343 1.00 0.00 C ATOM 531 CE LYS A 30 9.039 -0.815 -4.493 1.00 0.00 C ATOM 532 NZ LYS A 30 10.297 -1.295 -5.135 1.00 0.00 N ATOM 0 H LYS A 30 5.886 2.296 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 30 8.569 3.391 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.489 2.245 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.175 2.518 -3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.384 0.915 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.378 0.286 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.243 0.800 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.972 -0.507 -2.564 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.442 -1.649 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.419 -0.267 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.063 -1.921 -5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.842 -0.480 -5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.864 -1.819 -4.438 1.00 0.00 H new ATOM 546 N SER A 31 8.615 5.239 -3.458 1.00 0.00 N ATOM 547 CA SER A 31 8.490 6.596 -4.089 1.00 0.00 C ATOM 548 C SER A 31 7.883 6.505 -5.498 1.00 0.00 C ATOM 549 O SER A 31 7.567 7.511 -6.104 1.00 0.00 O ATOM 550 CB SER A 31 9.922 7.135 -4.165 1.00 0.00 C ATOM 551 OG SER A 31 9.951 8.472 -3.681 1.00 0.00 O ATOM 0 H SER A 31 9.557 4.847 -3.469 1.00 0.00 H new ATOM 0 HA SER A 31 7.830 7.243 -3.511 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.590 6.508 -3.574 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.281 7.101 -5.194 1.00 0.00 H new ATOM 0 HG SER A 31 10.867 8.817 -3.728 1.00 0.00 H new ATOM 557 N ASP A 32 7.713 5.314 -6.023 1.00 0.00 N ATOM 558 CA ASP A 32 7.121 5.168 -7.388 1.00 0.00 C ATOM 559 C ASP A 32 5.599 4.964 -7.295 1.00 0.00 C ATOM 560 O ASP A 32 4.951 4.635 -8.271 1.00 0.00 O ATOM 561 CB ASP A 32 7.796 3.917 -7.962 1.00 0.00 C ATOM 562 CG ASP A 32 7.516 3.811 -9.463 1.00 0.00 C ATOM 563 OD1 ASP A 32 7.987 4.663 -10.196 1.00 0.00 O ATOM 564 OD2 ASP A 32 6.837 2.875 -9.852 1.00 0.00 O ATOM 0 H ASP A 32 7.959 4.437 -5.563 1.00 0.00 H new ATOM 0 HA ASP A 32 7.280 6.050 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.871 3.961 -7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.426 3.028 -7.451 1.00 0.00 H new ATOM 569 N GLY A 33 5.027 5.139 -6.126 1.00 0.00 N ATOM 570 CA GLY A 33 3.560 4.930 -5.973 1.00 0.00 C ATOM 571 C GLY A 33 3.289 3.427 -5.987 1.00 0.00 C ATOM 572 O GLY A 33 2.320 2.964 -6.553 1.00 0.00 O ATOM 0 H GLY A 33 5.516 5.417 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.208 5.371 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.019 5.421 -6.782 1.00 0.00 H new ATOM 576 N SER A 34 4.156 2.659 -5.377 1.00 0.00 N ATOM 577 CA SER A 34 3.967 1.183 -5.365 1.00 0.00 C ATOM 578 C SER A 34 3.849 0.666 -3.928 1.00 0.00 C ATOM 579 O SER A 34 4.618 1.034 -3.057 1.00 0.00 O ATOM 580 CB SER A 34 5.220 0.626 -6.043 1.00 0.00 C ATOM 581 OG SER A 34 5.221 -0.793 -5.950 1.00 0.00 O ATOM 0 H SER A 34 4.986 2.994 -4.887 1.00 0.00 H new ATOM 0 HA SER A 34 3.054 0.878 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.247 0.932 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.114 1.032 -5.569 1.00 0.00 H new ATOM 0 HG SER A 34 4.302 -1.126 -6.020 1.00 0.00 H new ATOM 587 N PHE A 35 2.894 -0.196 -3.686 1.00 0.00 N ATOM 588 CA PHE A 35 2.711 -0.767 -2.318 1.00 0.00 C ATOM 589 C PHE A 35 3.069 -2.258 -2.331 1.00 0.00 C ATOM 590 O PHE A 35 2.483 -3.035 -3.060 1.00 0.00 O ATOM 591 CB PHE A 35 1.224 -0.578 -2.004 1.00 0.00 C ATOM 592 CG PHE A 35 1.063 0.219 -0.731 1.00 0.00 C ATOM 593 CD1 PHE A 35 1.741 -0.164 0.433 1.00 0.00 C ATOM 594 CD2 PHE A 35 0.226 1.340 -0.715 1.00 0.00 C ATOM 595 CE1 PHE A 35 1.583 0.575 1.610 1.00 0.00 C ATOM 596 CE2 PHE A 35 0.068 2.080 0.462 1.00 0.00 C ATOM 597 CZ PHE A 35 0.746 1.697 1.625 1.00 0.00 C ATOM 0 H PHE A 35 2.229 -0.531 -4.383 1.00 0.00 H new ATOM 0 HA PHE A 35 3.346 -0.285 -1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.732 -0.064 -2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.740 -1.549 -1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.386 -1.030 0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.299 1.634 -1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.107 0.280 2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.577 2.946 0.473 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.623 2.267 2.534 1.00 0.00 H new ATOM 607 N ILE A 36 4.023 -2.663 -1.535 1.00 0.00 N ATOM 608 CA ILE A 36 4.415 -4.107 -1.507 1.00 0.00 C ATOM 609 C ILE A 36 3.917 -4.757 -0.211 1.00 0.00 C ATOM 610 O ILE A 36 4.206 -4.292 0.872 1.00 0.00 O ATOM 611 CB ILE A 36 5.950 -4.111 -1.565 1.00 0.00 C ATOM 612 CG1 ILE A 36 6.440 -3.236 -2.732 1.00 0.00 C ATOM 613 CG2 ILE A 36 6.453 -5.543 -1.761 1.00 0.00 C ATOM 614 CD1 ILE A 36 5.806 -3.704 -4.047 1.00 0.00 C ATOM 0 H ILE A 36 4.548 -2.059 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 36 3.983 -4.671 -2.334 1.00 0.00 H new ATOM 0 HB ILE A 36 6.338 -3.709 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.183 -2.193 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.526 -3.289 -2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.542 -5.544 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.121 -6.163 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.055 -5.944 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.160 -3.077 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.085 -4.740 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.721 -3.628 -3.975 1.00 0.00 H new ATOM 626 N GLY A 37 3.169 -5.826 -0.317 1.00 0.00 N ATOM 627 CA GLY A 37 2.642 -6.505 0.906 1.00 0.00 C ATOM 628 C GLY A 37 3.302 -7.878 1.073 1.00 0.00 C ATOM 629 O GLY A 37 3.056 -8.792 0.310 1.00 0.00 O ATOM 0 H GLY A 37 2.900 -6.259 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.837 -5.890 1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.561 -6.620 0.830 1.00 0.00 H new ATOM 633 N TYR A 38 4.130 -8.030 2.078 1.00 0.00 N ATOM 634 CA TYR A 38 4.800 -9.346 2.309 1.00 0.00 C ATOM 635 C TYR A 38 4.011 -10.158 3.345 1.00 0.00 C ATOM 636 O TYR A 38 3.658 -9.659 4.398 1.00 0.00 O ATOM 637 CB TYR A 38 6.198 -9.004 2.841 1.00 0.00 C ATOM 638 CG TYR A 38 7.231 -9.316 1.783 1.00 0.00 C ATOM 639 CD1 TYR A 38 7.582 -8.345 0.839 1.00 0.00 C ATOM 640 CD2 TYR A 38 7.837 -10.580 1.746 1.00 0.00 C ATOM 641 CE1 TYR A 38 8.538 -8.634 -0.143 1.00 0.00 C ATOM 642 CE2 TYR A 38 8.792 -10.868 0.764 1.00 0.00 C ATOM 643 CZ TYR A 38 9.142 -9.897 -0.181 1.00 0.00 C ATOM 644 OH TYR A 38 10.081 -10.183 -1.151 1.00 0.00 O ATOM 0 H TYR A 38 4.370 -7.299 2.748 1.00 0.00 H new ATOM 0 HA TYR A 38 4.854 -9.947 1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.247 -7.950 3.113 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.404 -9.576 3.746 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.115 -7.371 0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.567 -11.330 2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.809 -7.883 -0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.259 -11.841 0.736 1.00 0.00 H new ATOM 0 HH TYR A 38 10.553 -9.362 -1.401 1.00 0.00 H new ATOM 654 N LYS A 39 3.728 -11.406 3.048 1.00 0.00 N ATOM 655 CA LYS A 39 2.952 -12.259 4.011 1.00 0.00 C ATOM 656 C LYS A 39 3.686 -12.375 5.358 1.00 0.00 C ATOM 657 O LYS A 39 3.066 -12.460 6.401 1.00 0.00 O ATOM 658 CB LYS A 39 2.825 -13.636 3.337 1.00 0.00 C ATOM 659 CG LYS A 39 4.175 -14.372 3.336 1.00 0.00 C ATOM 660 CD LYS A 39 3.942 -15.874 3.142 1.00 0.00 C ATOM 661 CE LYS A 39 4.973 -16.666 3.956 1.00 0.00 C ATOM 662 NZ LYS A 39 4.459 -16.666 5.357 1.00 0.00 N ATOM 0 H LYS A 39 4.000 -11.871 2.182 1.00 0.00 H new ATOM 0 HA LYS A 39 1.975 -11.827 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.080 -14.235 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.472 -13.513 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.810 -13.986 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.699 -14.193 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.933 -16.139 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.023 -16.131 2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.076 -17.682 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.958 -16.203 3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.260 -16.656 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.871 -15.822 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.888 -17.520 5.517 1.00 0.00 H new ATOM 676 N GLU A 40 4.998 -12.386 5.335 1.00 0.00 N ATOM 677 CA GLU A 40 5.782 -12.503 6.600 1.00 0.00 C ATOM 678 C GLU A 40 6.922 -11.478 6.605 1.00 0.00 C ATOM 679 O GLU A 40 6.865 -10.471 5.922 1.00 0.00 O ATOM 680 CB GLU A 40 6.333 -13.935 6.580 1.00 0.00 C ATOM 681 CG GLU A 40 5.897 -14.675 7.849 1.00 0.00 C ATOM 682 CD GLU A 40 6.728 -15.950 8.008 1.00 0.00 C ATOM 683 OE1 GLU A 40 6.404 -16.929 7.356 1.00 0.00 O ATOM 684 OE2 GLU A 40 7.674 -15.926 8.778 1.00 0.00 O ATOM 0 H GLU A 40 5.560 -12.318 4.487 1.00 0.00 H new ATOM 0 HA GLU A 40 5.183 -12.310 7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.970 -14.462 5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.421 -13.915 6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.027 -14.033 8.720 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.837 -14.924 7.792 1.00 0.00 H new ATOM 691 N ARG A 41 7.958 -11.728 7.367 1.00 0.00 N ATOM 692 CA ARG A 41 9.107 -10.776 7.419 1.00 0.00 C ATOM 693 C ARG A 41 10.412 -11.498 7.034 1.00 0.00 C ATOM 694 O ARG A 41 11.304 -11.641 7.849 1.00 0.00 O ATOM 695 CB ARG A 41 9.151 -10.298 8.876 1.00 0.00 C ATOM 696 CG ARG A 41 9.463 -8.800 8.903 1.00 0.00 C ATOM 697 CD ARG A 41 9.720 -8.349 10.345 1.00 0.00 C ATOM 698 NE ARG A 41 11.002 -9.008 10.745 1.00 0.00 N ATOM 699 CZ ARG A 41 12.166 -8.546 10.332 1.00 0.00 C ATOM 700 NH1 ARG A 41 12.238 -7.491 9.555 1.00 0.00 N ATOM 701 NH2 ARG A 41 13.267 -9.147 10.706 1.00 0.00 N ATOM 0 H ARG A 41 8.056 -12.554 7.957 1.00 0.00 H new ATOM 0 HA ARG A 41 8.996 -9.944 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.196 -10.492 9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.910 -10.850 9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.336 -8.590 8.285 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.631 -8.238 8.479 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.800 -7.264 10.409 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.903 -8.648 11.002 1.00 0.00 H new ATOM 0 HE ARG A 41 10.975 -9.830 11.348 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.385 -7.015 9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.147 -7.147 9.245 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.220 -9.966 11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.172 -8.796 10.391 1.00 0.00 H new ATOM 715 N PRO A 42 10.484 -11.936 5.795 1.00 0.00 N ATOM 716 CA PRO A 42 11.695 -12.648 5.311 1.00 0.00 C ATOM 717 C PRO A 42 12.819 -11.651 5.000 1.00 0.00 C ATOM 718 O PRO A 42 12.571 -10.503 4.678 1.00 0.00 O ATOM 719 CB PRO A 42 11.220 -13.337 4.037 1.00 0.00 C ATOM 720 CG PRO A 42 10.066 -12.516 3.550 1.00 0.00 C ATOM 721 CD PRO A 42 9.463 -11.817 4.744 1.00 0.00 C ATOM 0 HA PRO A 42 12.101 -13.345 6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.015 -13.378 3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.915 -14.365 4.236 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.400 -11.789 2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.325 -13.150 3.063 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.241 -10.773 4.522 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.526 -12.285 5.046 1.00 0.00 H new ATOM 729 N GLU A 43 14.052 -12.085 5.089 1.00 0.00 N ATOM 730 CA GLU A 43 15.201 -11.168 4.794 1.00 0.00 C ATOM 731 C GLU A 43 16.154 -11.798 3.766 1.00 0.00 C ATOM 732 O GLU A 43 16.721 -11.103 2.942 1.00 0.00 O ATOM 733 CB GLU A 43 15.914 -10.977 6.135 1.00 0.00 C ATOM 734 CG GLU A 43 15.906 -9.492 6.516 1.00 0.00 C ATOM 735 CD GLU A 43 14.966 -9.266 7.703 1.00 0.00 C ATOM 736 OE1 GLU A 43 13.766 -9.224 7.485 1.00 0.00 O ATOM 737 OE2 GLU A 43 15.461 -9.136 8.811 1.00 0.00 O ATOM 0 H GLU A 43 14.314 -13.035 5.353 1.00 0.00 H new ATOM 0 HA GLU A 43 14.864 -10.223 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.418 -11.564 6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.940 -11.340 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.915 -9.167 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.584 -8.891 5.666 1.00 0.00 H new ATOM 744 N ALA A 44 16.336 -13.104 3.815 1.00 0.00 N ATOM 745 CA ALA A 44 17.252 -13.809 2.855 1.00 0.00 C ATOM 746 C ALA A 44 18.720 -13.439 3.124 1.00 0.00 C ATOM 747 O ALA A 44 19.007 -12.402 3.694 1.00 0.00 O ATOM 748 CB ALA A 44 16.828 -13.356 1.451 1.00 0.00 C ATOM 0 H ALA A 44 15.881 -13.718 4.491 1.00 0.00 H new ATOM 0 HA ALA A 44 17.178 -14.891 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 44 17.461 -13.838 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.788 -13.634 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 44 16.933 -12.274 1.371 1.00 0.00 H new ATOM 754 N PRO A 45 19.605 -14.310 2.696 1.00 0.00 N ATOM 755 CA PRO A 45 21.061 -14.076 2.882 1.00 0.00 C ATOM 756 C PRO A 45 21.569 -13.012 1.897 1.00 0.00 C ATOM 757 O PRO A 45 22.356 -12.156 2.252 1.00 0.00 O ATOM 758 CB PRO A 45 21.685 -15.438 2.583 1.00 0.00 C ATOM 759 CG PRO A 45 20.704 -16.133 1.691 1.00 0.00 C ATOM 760 CD PRO A 45 19.337 -15.584 2.010 1.00 0.00 C ATOM 0 HA PRO A 45 21.310 -13.707 3.877 1.00 0.00 H new ATOM 0 HB2 PRO A 45 22.653 -15.329 2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 45 21.853 -16.004 3.499 1.00 0.00 H new ATOM 0 HG2 PRO A 45 20.951 -15.963 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 45 20.733 -17.210 1.855 1.00 0.00 H new ATOM 0 HD2 PRO A 45 18.749 -15.432 1.105 1.00 0.00 H new ATOM 0 HD3 PRO A 45 18.773 -16.267 2.646 1.00 0.00 H new ATOM 768 N ASP A 46 21.119 -13.062 0.665 1.00 0.00 N ATOM 769 CA ASP A 46 21.566 -12.058 -0.347 1.00 0.00 C ATOM 770 C ASP A 46 20.359 -11.251 -0.846 1.00 0.00 C ATOM 771 O ASP A 46 20.185 -10.101 -0.490 1.00 0.00 O ATOM 772 CB ASP A 46 22.190 -12.890 -1.477 1.00 0.00 C ATOM 773 CG ASP A 46 22.391 -12.020 -2.722 1.00 0.00 C ATOM 774 OD1 ASP A 46 23.223 -11.130 -2.671 1.00 0.00 O ATOM 775 OD2 ASP A 46 21.707 -12.261 -3.704 1.00 0.00 O ATOM 0 H ASP A 46 20.459 -13.758 0.318 1.00 0.00 H new ATOM 0 HA ASP A 46 22.278 -11.337 0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 46 23.146 -13.300 -1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 46 21.545 -13.736 -1.715 1.00 0.00 H new ATOM 780 N GLN A 47 19.522 -11.848 -1.662 1.00 0.00 N ATOM 781 CA GLN A 47 18.322 -11.120 -2.183 1.00 0.00 C ATOM 782 C GLN A 47 17.315 -12.111 -2.785 1.00 0.00 C ATOM 783 O GLN A 47 16.747 -11.874 -3.836 1.00 0.00 O ATOM 784 CB GLN A 47 18.864 -10.175 -3.260 1.00 0.00 C ATOM 785 CG GLN A 47 17.955 -8.948 -3.365 1.00 0.00 C ATOM 786 CD GLN A 47 18.569 -7.786 -2.580 1.00 0.00 C ATOM 787 OE1 GLN A 47 19.529 -7.184 -3.015 1.00 0.00 O ATOM 788 NE2 GLN A 47 18.049 -7.440 -1.433 1.00 0.00 N ATOM 0 H GLN A 47 19.619 -12.809 -1.990 1.00 0.00 H new ATOM 0 HA GLN A 47 17.796 -10.578 -1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.880 -9.868 -3.012 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.912 -10.689 -4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 47 17.826 -8.666 -4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 47 16.965 -9.182 -2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.242 -7.945 -1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.450 -6.665 -0.904 1.00 0.00 H new ATOM 797 N THR A 48 17.086 -13.216 -2.121 1.00 0.00 N ATOM 798 CA THR A 48 16.113 -14.227 -2.646 1.00 0.00 C ATOM 799 C THR A 48 14.787 -14.132 -1.880 1.00 0.00 C ATOM 800 O THR A 48 14.286 -15.099 -1.335 1.00 0.00 O ATOM 801 CB THR A 48 16.797 -15.587 -2.439 1.00 0.00 C ATOM 802 OG1 THR A 48 15.979 -16.621 -2.970 1.00 0.00 O ATOM 803 CG2 THR A 48 17.034 -15.843 -0.947 1.00 0.00 C ATOM 0 H THR A 48 17.530 -13.463 -1.237 1.00 0.00 H new ATOM 0 HA THR A 48 15.867 -14.069 -3.696 1.00 0.00 H new ATOM 0 HB THR A 48 17.757 -15.577 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.087 -16.573 -2.566 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.519 -16.810 -0.816 1.00 0.00 H new ATOM 0 HG22 THR A 48 17.673 -15.059 -0.540 1.00 0.00 H new ATOM 0 HG23 THR A 48 16.079 -15.842 -0.422 1.00 0.00 H new ATOM 811 N LEU A 49 14.220 -12.961 -1.848 1.00 0.00 N ATOM 812 CA LEU A 49 12.923 -12.768 -1.128 1.00 0.00 C ATOM 813 C LEU A 49 11.749 -12.906 -2.106 1.00 0.00 C ATOM 814 O LEU A 49 11.636 -12.140 -3.044 1.00 0.00 O ATOM 815 CB LEU A 49 12.983 -11.348 -0.557 1.00 0.00 C ATOM 816 CG LEU A 49 13.983 -11.299 0.602 1.00 0.00 C ATOM 817 CD1 LEU A 49 14.134 -9.856 1.083 1.00 0.00 C ATOM 818 CD2 LEU A 49 13.473 -12.168 1.753 1.00 0.00 C ATOM 0 H LEU A 49 14.597 -12.123 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 49 12.775 -13.511 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.279 -10.645 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.995 -11.043 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 49 14.949 -11.673 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.846 -9.820 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.497 -9.235 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.168 -9.482 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.185 -12.133 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.507 -11.794 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.364 -13.197 1.411 1.00 0.00 H new ATOM 830 N PRO A 50 10.911 -13.888 -1.855 1.00 0.00 N ATOM 831 CA PRO A 50 9.732 -14.132 -2.728 1.00 0.00 C ATOM 832 C PRO A 50 8.623 -13.104 -2.448 1.00 0.00 C ATOM 833 O PRO A 50 8.141 -13.004 -1.334 1.00 0.00 O ATOM 834 CB PRO A 50 9.283 -15.536 -2.334 1.00 0.00 C ATOM 835 CG PRO A 50 9.776 -15.733 -0.934 1.00 0.00 C ATOM 836 CD PRO A 50 10.986 -14.853 -0.750 1.00 0.00 C ATOM 0 HA PRO A 50 9.962 -14.041 -3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.198 -15.630 -2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.701 -16.285 -3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.000 -15.473 -0.214 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.033 -16.778 -0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.968 -14.351 0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.908 -15.433 -0.791 1.00 0.00 H new ATOM 844 N PRO A 51 8.250 -12.371 -3.475 1.00 0.00 N ATOM 845 CA PRO A 51 7.184 -11.342 -3.334 1.00 0.00 C ATOM 846 C PRO A 51 5.802 -12.001 -3.210 1.00 0.00 C ATOM 847 O PRO A 51 5.457 -12.895 -3.962 1.00 0.00 O ATOM 848 CB PRO A 51 7.289 -10.537 -4.628 1.00 0.00 C ATOM 849 CG PRO A 51 7.907 -11.471 -5.619 1.00 0.00 C ATOM 850 CD PRO A 51 8.780 -12.427 -4.846 1.00 0.00 C ATOM 0 HA PRO A 51 7.303 -10.727 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.308 -10.199 -4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.902 -9.647 -4.490 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.137 -12.012 -6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.495 -10.920 -6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.724 -13.436 -5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.827 -12.127 -4.881 1.00 0.00 H new ATOM 858 N LEU A 52 5.011 -11.559 -2.264 1.00 0.00 N ATOM 859 CA LEU A 52 3.649 -12.149 -2.078 1.00 0.00 C ATOM 860 C LEU A 52 2.584 -11.231 -2.694 1.00 0.00 C ATOM 861 O LEU A 52 1.815 -11.647 -3.538 1.00 0.00 O ATOM 862 CB LEU A 52 3.467 -12.261 -0.559 1.00 0.00 C ATOM 863 CG LEU A 52 3.646 -13.719 -0.114 1.00 0.00 C ATOM 864 CD1 LEU A 52 2.473 -14.562 -0.622 1.00 0.00 C ATOM 865 CD2 LEU A 52 4.959 -14.279 -0.674 1.00 0.00 C ATOM 0 H LEU A 52 5.250 -10.813 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 52 3.546 -13.117 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.192 -11.625 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.476 -11.905 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 52 3.675 -13.757 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.604 -15.596 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.541 -14.172 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.438 -14.519 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.079 -15.314 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.938 -14.236 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.795 -13.686 -0.304 1.00 0.00 H new ATOM 877 N ASN A 53 2.536 -9.985 -2.284 1.00 0.00 N ATOM 878 CA ASN A 53 1.525 -9.044 -2.858 1.00 0.00 C ATOM 879 C ASN A 53 2.227 -7.794 -3.402 1.00 0.00 C ATOM 880 O ASN A 53 2.982 -7.143 -2.704 1.00 0.00 O ATOM 881 CB ASN A 53 0.600 -8.676 -1.692 1.00 0.00 C ATOM 882 CG ASN A 53 -0.263 -9.884 -1.316 1.00 0.00 C ATOM 883 OD1 ASN A 53 -0.031 -10.517 -0.306 1.00 0.00 O ATOM 884 ND2 ASN A 53 -1.255 -10.233 -2.089 1.00 0.00 N ATOM 0 H ASN A 53 3.152 -9.581 -1.578 1.00 0.00 H new ATOM 0 HA ASN A 53 0.970 -9.490 -3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.191 -8.358 -0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.036 -7.836 -1.971 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.834 -11.036 -1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.451 -9.702 -2.938 1.00 0.00 H new ATOM 891 N ASN A 54 1.981 -7.454 -4.642 1.00 0.00 N ATOM 892 CA ASN A 54 2.630 -6.244 -5.238 1.00 0.00 C ATOM 893 C ASN A 54 1.564 -5.274 -5.765 1.00 0.00 C ATOM 894 O ASN A 54 0.576 -5.682 -6.346 1.00 0.00 O ATOM 895 CB ASN A 54 3.488 -6.779 -6.389 1.00 0.00 C ATOM 896 CG ASN A 54 4.361 -5.651 -6.952 1.00 0.00 C ATOM 897 OD1 ASN A 54 3.880 -4.796 -7.668 1.00 0.00 O ATOM 898 ND2 ASN A 54 5.633 -5.614 -6.660 1.00 0.00 N ATOM 0 H ASN A 54 1.358 -7.962 -5.269 1.00 0.00 H new ATOM 0 HA ASN A 54 3.225 -5.694 -4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.117 -7.597 -6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.849 -7.183 -7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.220 -4.868 -7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.039 -6.331 -6.059 1.00 0.00 H new ATOM 905 N PHE A 55 1.761 -3.995 -5.567 1.00 0.00 N ATOM 906 CA PHE A 55 0.766 -2.993 -6.056 1.00 0.00 C ATOM 907 C PHE A 55 1.485 -1.817 -6.727 1.00 0.00 C ATOM 908 O PHE A 55 2.448 -1.289 -6.200 1.00 0.00 O ATOM 909 CB PHE A 55 0.020 -2.532 -4.800 1.00 0.00 C ATOM 910 CG PHE A 55 -1.175 -1.692 -5.189 1.00 0.00 C ATOM 911 CD1 PHE A 55 -2.119 -2.190 -6.094 1.00 0.00 C ATOM 912 CD2 PHE A 55 -1.340 -0.414 -4.641 1.00 0.00 C ATOM 913 CE1 PHE A 55 -3.223 -1.413 -6.455 1.00 0.00 C ATOM 914 CE2 PHE A 55 -2.446 0.363 -5.001 1.00 0.00 C ATOM 915 CZ PHE A 55 -3.387 -0.135 -5.908 1.00 0.00 C ATOM 0 H PHE A 55 2.570 -3.601 -5.087 1.00 0.00 H new ATOM 0 HA PHE A 55 0.087 -3.410 -6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.305 -3.397 -4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.688 -1.955 -4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.994 -3.177 -6.514 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.614 -0.028 -3.941 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.949 -1.798 -7.156 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.573 1.349 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.240 0.466 -6.186 1.00 0.00 H new ATOM 925 N SER A 56 1.027 -1.402 -7.885 1.00 0.00 N ATOM 926 CA SER A 56 1.685 -0.255 -8.588 1.00 0.00 C ATOM 927 C SER A 56 0.642 0.783 -9.028 1.00 0.00 C ATOM 928 O SER A 56 -0.302 0.470 -9.729 1.00 0.00 O ATOM 929 CB SER A 56 2.378 -0.875 -9.803 1.00 0.00 C ATOM 930 OG SER A 56 3.698 -0.353 -9.904 1.00 0.00 O ATOM 0 H SER A 56 0.228 -1.807 -8.372 1.00 0.00 H new ATOM 0 HA SER A 56 2.389 0.269 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.409 -1.960 -9.705 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.816 -0.653 -10.710 1.00 0.00 H new ATOM 0 HG SER A 56 4.148 -0.748 -10.680 1.00 0.00 H new ATOM 936 N VAL A 57 0.821 2.017 -8.620 1.00 0.00 N ATOM 937 CA VAL A 57 -0.133 3.105 -8.998 1.00 0.00 C ATOM 938 C VAL A 57 0.424 4.455 -8.522 1.00 0.00 C ATOM 939 O VAL A 57 0.566 4.694 -7.338 1.00 0.00 O ATOM 940 CB VAL A 57 -1.460 2.763 -8.295 1.00 0.00 C ATOM 941 CG1 VAL A 57 -1.276 2.764 -6.773 1.00 0.00 C ATOM 942 CG2 VAL A 57 -2.521 3.799 -8.677 1.00 0.00 C ATOM 0 H VAL A 57 1.599 2.319 -8.033 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.280 3.180 -10.075 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.779 1.770 -8.612 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.223 2.520 -6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.527 2.022 -6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.947 3.751 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.461 3.558 -8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.190 4.790 -8.366 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.668 3.788 -9.757 1.00 0.00 H new ATOM 952 N ALA A 58 0.763 5.327 -9.440 1.00 0.00 N ATOM 953 CA ALA A 58 1.338 6.662 -9.060 1.00 0.00 C ATOM 954 C ALA A 58 0.311 7.517 -8.291 1.00 0.00 C ATOM 955 O ALA A 58 -0.175 8.513 -8.793 1.00 0.00 O ATOM 956 CB ALA A 58 1.704 7.327 -10.390 1.00 0.00 C ATOM 0 H ALA A 58 0.667 5.173 -10.444 1.00 0.00 H new ATOM 0 HA ALA A 58 2.198 6.556 -8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.132 8.311 -10.199 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.432 6.710 -10.917 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.808 7.434 -11.002 1.00 0.00 H new ATOM 962 N GLU A 59 0.005 7.126 -7.070 1.00 0.00 N ATOM 963 CA GLU A 59 -0.971 7.879 -6.209 1.00 0.00 C ATOM 964 C GLU A 59 -2.066 8.548 -7.053 1.00 0.00 C ATOM 965 O GLU A 59 -2.219 9.757 -7.051 1.00 0.00 O ATOM 966 CB GLU A 59 -0.123 8.919 -5.470 1.00 0.00 C ATOM 967 CG GLU A 59 0.983 8.205 -4.679 1.00 0.00 C ATOM 968 CD GLU A 59 1.842 9.226 -3.928 1.00 0.00 C ATOM 969 OE1 GLU A 59 2.116 10.273 -4.490 1.00 0.00 O ATOM 970 OE2 GLU A 59 2.218 8.939 -2.804 1.00 0.00 O ATOM 0 H GLU A 59 0.401 6.298 -6.626 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.498 7.219 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.317 9.618 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.749 9.502 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.539 7.503 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.607 7.623 -5.357 1.00 0.00 H new ATOM 977 N CYS A 60 -2.826 7.762 -7.773 1.00 0.00 N ATOM 978 CA CYS A 60 -3.914 8.334 -8.623 1.00 0.00 C ATOM 979 C CYS A 60 -5.041 8.881 -7.739 1.00 0.00 C ATOM 980 O CYS A 60 -5.451 10.017 -7.881 1.00 0.00 O ATOM 981 CB CYS A 60 -4.410 7.162 -9.475 1.00 0.00 C ATOM 982 SG CYS A 60 -5.286 7.798 -10.924 1.00 0.00 S ATOM 0 H CYS A 60 -2.740 6.746 -7.809 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.567 9.163 -9.240 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.568 6.544 -9.788 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.071 6.526 -8.887 1.00 0.00 H new ATOM 987 N GLN A 61 -5.535 8.084 -6.823 1.00 0.00 N ATOM 988 CA GLN A 61 -6.628 8.558 -5.919 1.00 0.00 C ATOM 989 C GLN A 61 -6.607 7.763 -4.610 1.00 0.00 C ATOM 990 O GLN A 61 -6.583 6.547 -4.614 1.00 0.00 O ATOM 991 CB GLN A 61 -7.930 8.299 -6.687 1.00 0.00 C ATOM 992 CG GLN A 61 -8.964 9.377 -6.336 1.00 0.00 C ATOM 993 CD GLN A 61 -9.376 9.249 -4.863 1.00 0.00 C ATOM 994 OE1 GLN A 61 -9.250 10.189 -4.104 1.00 0.00 O ATOM 995 NE2 GLN A 61 -9.868 8.121 -4.425 1.00 0.00 N ATOM 0 H GLN A 61 -5.228 7.125 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.519 9.610 -5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.737 8.303 -7.760 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.320 7.313 -6.437 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.547 10.367 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.840 9.275 -6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.975 7.330 -5.060 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.145 8.031 -3.448 1.00 0.00 H new ATOM 1004 N LEU A 62 -6.623 8.445 -3.493 1.00 0.00 N ATOM 1005 CA LEU A 62 -6.608 7.742 -2.173 1.00 0.00 C ATOM 1006 C LEU A 62 -7.908 8.027 -1.412 1.00 0.00 C ATOM 1007 O LEU A 62 -8.529 9.057 -1.593 1.00 0.00 O ATOM 1008 CB LEU A 62 -5.405 8.331 -1.421 1.00 0.00 C ATOM 1009 CG LEU A 62 -4.271 7.303 -1.331 1.00 0.00 C ATOM 1010 CD1 LEU A 62 -4.779 6.021 -0.665 1.00 0.00 C ATOM 1011 CD2 LEU A 62 -3.756 6.983 -2.736 1.00 0.00 C ATOM 0 H LEU A 62 -6.646 9.463 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.530 6.660 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.052 9.226 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.708 8.635 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.460 7.718 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.967 5.296 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.136 6.250 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.595 5.604 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.950 6.252 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.568 6.574 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.382 7.894 -3.203 1.00 0.00 H new ATOM 1023 N MET A 63 -8.329 7.118 -0.569 1.00 0.00 N ATOM 1024 CA MET A 63 -9.594 7.332 0.198 1.00 0.00 C ATOM 1025 C MET A 63 -9.578 6.530 1.505 1.00 0.00 C ATOM 1026 O MET A 63 -8.960 5.489 1.599 1.00 0.00 O ATOM 1027 CB MET A 63 -10.708 6.826 -0.727 1.00 0.00 C ATOM 1028 CG MET A 63 -12.075 7.020 -0.061 1.00 0.00 C ATOM 1029 SD MET A 63 -13.131 8.033 -1.127 1.00 0.00 S ATOM 1030 CE MET A 63 -14.571 8.093 -0.030 1.00 0.00 C ATOM 0 H MET A 63 -7.851 6.237 -0.379 1.00 0.00 H new ATOM 0 HA MET A 63 -9.731 8.377 0.475 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.677 7.364 -1.674 1.00 0.00 H new ATOM 0 HB3 MET A 63 -10.552 5.771 -0.954 1.00 0.00 H new ATOM 0 HG2 MET A 63 -12.544 6.053 0.119 1.00 0.00 H new ATOM 0 HG3 MET A 63 -11.953 7.501 0.910 1.00 0.00 H new ATOM 0 HE1 MET A 63 -15.361 8.680 -0.498 1.00 0.00 H new ATOM 0 HE2 MET A 63 -14.931 7.081 0.153 1.00 0.00 H new ATOM 0 HE3 MET A 63 -14.288 8.554 0.916 1.00 0.00 H new ATOM 1040 N LYS A 64 -10.265 7.008 2.512 1.00 0.00 N ATOM 1041 CA LYS A 64 -10.312 6.275 3.815 1.00 0.00 C ATOM 1042 C LYS A 64 -11.757 5.855 4.105 1.00 0.00 C ATOM 1043 O LYS A 64 -12.687 6.603 3.866 1.00 0.00 O ATOM 1044 CB LYS A 64 -9.811 7.271 4.863 1.00 0.00 C ATOM 1045 CG LYS A 64 -8.301 7.470 4.704 1.00 0.00 C ATOM 1046 CD LYS A 64 -7.980 8.968 4.652 1.00 0.00 C ATOM 1047 CE LYS A 64 -7.940 9.438 3.194 1.00 0.00 C ATOM 1048 NZ LYS A 64 -8.952 10.532 3.103 1.00 0.00 N ATOM 0 H LYS A 64 -10.797 7.878 2.488 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.703 5.371 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.327 8.224 4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.036 6.904 5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.773 7.004 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.954 6.982 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.733 9.530 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.021 9.161 5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.947 9.798 2.924 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.180 8.623 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.978 10.901 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.889 10.160 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.694 11.298 3.757 1.00 0.00 H new ATOM 1062 N THR A 65 -11.958 4.660 4.599 1.00 0.00 N ATOM 1063 CA THR A 65 -13.351 4.193 4.879 1.00 0.00 C ATOM 1064 C THR A 65 -13.412 3.349 6.160 1.00 0.00 C ATOM 1065 O THR A 65 -12.407 3.082 6.796 1.00 0.00 O ATOM 1066 CB THR A 65 -13.740 3.357 3.647 1.00 0.00 C ATOM 1067 OG1 THR A 65 -15.040 2.811 3.828 1.00 0.00 O ATOM 1068 CG2 THR A 65 -12.730 2.220 3.442 1.00 0.00 C ATOM 0 H THR A 65 -11.222 3.989 4.820 1.00 0.00 H new ATOM 0 HA THR A 65 -14.033 5.027 5.043 1.00 0.00 H new ATOM 0 HB THR A 65 -13.736 4.001 2.768 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.285 2.281 3.041 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.014 1.634 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.736 2.640 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 65 -12.722 1.577 4.322 1.00 0.00 H new ATOM 1076 N GLU A 66 -14.596 2.932 6.534 1.00 0.00 N ATOM 1077 CA GLU A 66 -14.765 2.102 7.766 1.00 0.00 C ATOM 1078 C GLU A 66 -15.386 0.737 7.415 1.00 0.00 C ATOM 1079 O GLU A 66 -15.975 0.081 8.255 1.00 0.00 O ATOM 1080 CB GLU A 66 -15.701 2.914 8.674 1.00 0.00 C ATOM 1081 CG GLU A 66 -17.017 3.223 7.943 1.00 0.00 C ATOM 1082 CD GLU A 66 -17.117 4.728 7.666 1.00 0.00 C ATOM 1083 OE1 GLU A 66 -16.255 5.245 6.971 1.00 0.00 O ATOM 1084 OE2 GLU A 66 -18.054 5.338 8.155 1.00 0.00 O ATOM 0 H GLU A 66 -15.461 3.133 6.033 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.813 1.893 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.907 2.356 9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.215 3.843 8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.062 2.668 7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.864 2.898 8.547 1.00 0.00 H new ATOM 1091 N ARG A 67 -15.245 0.301 6.184 1.00 0.00 N ATOM 1092 CA ARG A 67 -15.811 -1.021 5.783 1.00 0.00 C ATOM 1093 C ARG A 67 -14.821 -1.756 4.860 1.00 0.00 C ATOM 1094 O ARG A 67 -14.113 -1.129 4.092 1.00 0.00 O ATOM 1095 CB ARG A 67 -17.125 -0.700 5.053 1.00 0.00 C ATOM 1096 CG ARG A 67 -16.841 -0.260 3.612 1.00 0.00 C ATOM 1097 CD ARG A 67 -17.914 0.734 3.154 1.00 0.00 C ATOM 1098 NE ARG A 67 -18.936 -0.095 2.445 1.00 0.00 N ATOM 1099 CZ ARG A 67 -18.850 -0.328 1.150 1.00 0.00 C ATOM 1100 NH1 ARG A 67 -17.851 0.145 0.442 1.00 0.00 N ATOM 1101 NH2 ARG A 67 -19.772 -1.047 0.563 1.00 0.00 N ATOM 0 H ARG A 67 -14.761 0.807 5.442 1.00 0.00 H new ATOM 0 HA ARG A 67 -15.988 -1.675 6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -17.772 -1.578 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -17.659 0.089 5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.855 0.200 3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -16.830 -1.128 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -18.352 1.260 4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.493 1.491 2.493 1.00 0.00 H new ATOM 0 HE ARG A 67 -19.715 -0.488 2.973 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.125 0.703 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.800 -0.045 -0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -20.549 -1.422 1.107 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.714 -1.232 -0.438 1.00 0.00 H new ATOM 1115 N PRO A 68 -14.796 -3.066 4.960 1.00 0.00 N ATOM 1116 CA PRO A 68 -15.677 -3.800 5.913 1.00 0.00 C ATOM 1117 C PRO A 68 -15.238 -3.590 7.378 1.00 0.00 C ATOM 1118 O PRO A 68 -15.975 -3.897 8.296 1.00 0.00 O ATOM 1119 CB PRO A 68 -15.511 -5.260 5.498 1.00 0.00 C ATOM 1120 CG PRO A 68 -14.178 -5.324 4.827 1.00 0.00 C ATOM 1121 CD PRO A 68 -13.943 -3.980 4.190 1.00 0.00 C ATOM 0 HA PRO A 68 -16.710 -3.456 5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -15.549 -5.923 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.308 -5.571 4.822 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.393 -5.552 5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.161 -6.115 4.077 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.894 -3.690 4.247 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.215 -3.986 3.135 1.00 0.00 H new ATOM 1129 N ARG A 69 -14.050 -3.072 7.602 1.00 0.00 N ATOM 1130 CA ARG A 69 -13.572 -2.840 9.003 1.00 0.00 C ATOM 1131 C ARG A 69 -13.243 -1.354 9.212 1.00 0.00 C ATOM 1132 O ARG A 69 -13.085 -0.618 8.257 1.00 0.00 O ATOM 1133 CB ARG A 69 -12.308 -3.693 9.143 1.00 0.00 C ATOM 1134 CG ARG A 69 -12.661 -5.040 9.780 1.00 0.00 C ATOM 1135 CD ARG A 69 -12.672 -6.132 8.706 1.00 0.00 C ATOM 1136 NE ARG A 69 -13.455 -7.257 9.302 1.00 0.00 N ATOM 1137 CZ ARG A 69 -13.875 -8.254 8.556 1.00 0.00 C ATOM 1138 NH1 ARG A 69 -13.589 -8.300 7.276 1.00 0.00 N ATOM 1139 NH2 ARG A 69 -14.579 -9.215 9.099 1.00 0.00 N ATOM 0 H ARG A 69 -13.391 -2.800 6.872 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.326 -3.107 9.743 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.854 -3.851 8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.572 -3.172 9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.937 -5.287 10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.637 -4.981 10.262 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.134 -5.775 7.785 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.659 -6.447 8.454 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.666 -7.251 10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.035 -7.557 6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.921 -9.079 6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.798 -9.187 10.095 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.908 -9.992 8.526 1.00 0.00 H new ATOM 1153 N PRO A 70 -13.153 -0.956 10.461 1.00 0.00 N ATOM 1154 CA PRO A 70 -12.843 0.464 10.793 1.00 0.00 C ATOM 1155 C PRO A 70 -11.394 0.814 10.420 1.00 0.00 C ATOM 1156 O PRO A 70 -10.538 -0.049 10.341 1.00 0.00 O ATOM 1157 CB PRO A 70 -13.053 0.530 12.306 1.00 0.00 C ATOM 1158 CG PRO A 70 -12.858 -0.873 12.782 1.00 0.00 C ATOM 1159 CD PRO A 70 -13.323 -1.775 11.670 1.00 0.00 C ATOM 0 HA PRO A 70 -13.465 1.173 10.247 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.341 1.209 12.775 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.050 0.895 12.551 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.811 -1.059 13.019 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -13.428 -1.056 13.693 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -12.730 -2.688 11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.362 -2.076 11.807 1.00 0.00 H new ATOM 1167 N ASN A 71 -11.125 2.081 10.190 1.00 0.00 N ATOM 1168 CA ASN A 71 -9.742 2.526 9.814 1.00 0.00 C ATOM 1169 C ASN A 71 -9.260 1.765 8.571 1.00 0.00 C ATOM 1170 O ASN A 71 -8.325 0.988 8.624 1.00 0.00 O ATOM 1171 CB ASN A 71 -8.864 2.216 11.034 1.00 0.00 C ATOM 1172 CG ASN A 71 -8.818 3.436 11.957 1.00 0.00 C ATOM 1173 OD1 ASN A 71 -8.399 4.504 11.553 1.00 0.00 O ATOM 1174 ND2 ASN A 71 -9.228 3.325 13.192 1.00 0.00 N ATOM 0 H ASN A 71 -11.812 2.832 10.248 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.704 3.586 9.563 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.262 1.355 11.572 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.856 1.953 10.712 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.196 4.132 13.814 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.580 2.431 13.534 1.00 0.00 H new ATOM 1181 N THR A 72 -9.904 1.985 7.452 1.00 0.00 N ATOM 1182 CA THR A 72 -9.504 1.278 6.199 1.00 0.00 C ATOM 1183 C THR A 72 -8.991 2.274 5.149 1.00 0.00 C ATOM 1184 O THR A 72 -9.327 3.445 5.163 1.00 0.00 O ATOM 1185 CB THR A 72 -10.783 0.583 5.720 1.00 0.00 C ATOM 1186 OG1 THR A 72 -11.112 -0.460 6.625 1.00 0.00 O ATOM 1187 CG2 THR A 72 -10.571 -0.008 4.324 1.00 0.00 C ATOM 0 H THR A 72 -10.691 2.626 7.353 1.00 0.00 H new ATOM 0 HA THR A 72 -8.691 0.571 6.365 1.00 0.00 H new ATOM 0 HB THR A 72 -11.593 1.312 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.881 -0.190 7.170 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.486 -0.499 3.994 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.315 0.789 3.626 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.760 -0.736 4.356 1.00 0.00 H new ATOM 1195 N PHE A 73 -8.175 1.800 4.240 1.00 0.00 N ATOM 1196 CA PHE A 73 -7.613 2.680 3.171 1.00 0.00 C ATOM 1197 C PHE A 73 -7.958 2.117 1.786 1.00 0.00 C ATOM 1198 O PHE A 73 -7.830 0.931 1.538 1.00 0.00 O ATOM 1199 CB PHE A 73 -6.098 2.644 3.384 1.00 0.00 C ATOM 1200 CG PHE A 73 -5.598 4.004 3.815 1.00 0.00 C ATOM 1201 CD1 PHE A 73 -5.897 5.144 3.055 1.00 0.00 C ATOM 1202 CD2 PHE A 73 -4.828 4.121 4.975 1.00 0.00 C ATOM 1203 CE1 PHE A 73 -5.427 6.397 3.460 1.00 0.00 C ATOM 1204 CE2 PHE A 73 -4.358 5.374 5.378 1.00 0.00 C ATOM 1205 CZ PHE A 73 -4.656 6.512 4.622 1.00 0.00 C ATOM 0 H PHE A 73 -7.871 0.827 4.194 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.015 3.692 3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.848 1.900 4.140 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.601 2.341 2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.490 5.054 2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.596 3.243 5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.659 7.276 2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.763 5.464 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.291 7.479 4.935 1.00 0.00 H new ATOM 1215 N VAL A 74 -8.387 2.961 0.885 1.00 0.00 N ATOM 1216 CA VAL A 74 -8.740 2.489 -0.489 1.00 0.00 C ATOM 1217 C VAL A 74 -8.020 3.342 -1.541 1.00 0.00 C ATOM 1218 O VAL A 74 -7.865 4.536 -1.380 1.00 0.00 O ATOM 1219 CB VAL A 74 -10.260 2.678 -0.603 1.00 0.00 C ATOM 1220 CG1 VAL A 74 -10.753 2.057 -1.912 1.00 0.00 C ATOM 1221 CG2 VAL A 74 -10.965 1.996 0.576 1.00 0.00 C ATOM 0 H VAL A 74 -8.509 3.962 1.041 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.444 1.453 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.488 3.744 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.832 2.190 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.262 2.545 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.517 0.993 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.042 2.136 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.736 0.930 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.619 2.436 1.511 1.00 0.00 H new ATOM 1231 N ILE A 75 -7.588 2.738 -2.619 1.00 0.00 N ATOM 1232 CA ILE A 75 -6.891 3.521 -3.689 1.00 0.00 C ATOM 1233 C ILE A 75 -7.389 3.086 -5.074 1.00 0.00 C ATOM 1234 O ILE A 75 -7.614 1.916 -5.322 1.00 0.00 O ATOM 1235 CB ILE A 75 -5.395 3.217 -3.521 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -4.594 4.006 -4.564 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -5.139 1.720 -3.710 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -3.152 4.183 -4.082 1.00 0.00 C ATOM 0 H ILE A 75 -7.686 1.740 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.087 4.590 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.083 3.509 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.606 3.481 -5.519 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.054 4.980 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.075 1.515 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.704 1.158 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.455 1.420 -4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.586 4.744 -4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.148 4.727 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.693 3.205 -3.939 1.00 0.00 H new ATOM 1250 N ARG A 76 -7.563 4.021 -5.976 1.00 0.00 N ATOM 1251 CA ARG A 76 -8.043 3.664 -7.349 1.00 0.00 C ATOM 1252 C ARG A 76 -7.603 4.720 -8.375 1.00 0.00 C ATOM 1253 O ARG A 76 -6.974 5.706 -8.039 1.00 0.00 O ATOM 1254 CB ARG A 76 -9.574 3.600 -7.248 1.00 0.00 C ATOM 1255 CG ARG A 76 -10.133 4.919 -6.701 1.00 0.00 C ATOM 1256 CD ARG A 76 -11.653 4.947 -6.904 1.00 0.00 C ATOM 1257 NE ARG A 76 -12.190 5.765 -5.772 1.00 0.00 N ATOM 1258 CZ ARG A 76 -12.406 5.230 -4.588 1.00 0.00 C ATOM 1259 NH1 ARG A 76 -12.119 3.969 -4.355 1.00 0.00 N ATOM 1260 NH2 ARG A 76 -12.902 5.967 -3.627 1.00 0.00 N ATOM 0 H ARG A 76 -7.394 5.015 -5.822 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.625 2.716 -7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.001 3.397 -8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.867 2.776 -6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.894 5.018 -5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.670 5.763 -7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.913 5.389 -7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.069 3.940 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.392 6.754 -5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.723 3.391 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.292 3.569 -3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.119 6.949 -3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.072 5.559 -2.708 1.00 0.00 H new ATOM 1274 N CYS A 77 -7.926 4.507 -9.627 1.00 0.00 N ATOM 1275 CA CYS A 77 -7.529 5.479 -10.693 1.00 0.00 C ATOM 1276 C CYS A 77 -8.600 5.532 -11.793 1.00 0.00 C ATOM 1277 O CYS A 77 -9.483 4.696 -11.851 1.00 0.00 O ATOM 1278 CB CYS A 77 -6.212 4.929 -11.250 1.00 0.00 C ATOM 1279 SG CYS A 77 -5.354 6.222 -12.186 1.00 0.00 S ATOM 0 H CYS A 77 -8.450 3.697 -9.958 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.422 6.494 -10.310 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.580 4.578 -10.434 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.409 4.071 -11.893 1.00 0.00 H new ATOM 1284 N LEU A 78 -8.525 6.510 -12.663 1.00 0.00 N ATOM 1285 CA LEU A 78 -9.534 6.621 -13.763 1.00 0.00 C ATOM 1286 C LEU A 78 -9.302 5.516 -14.803 1.00 0.00 C ATOM 1287 O LEU A 78 -8.423 5.611 -15.641 1.00 0.00 O ATOM 1288 CB LEU A 78 -9.306 8.007 -14.379 1.00 0.00 C ATOM 1289 CG LEU A 78 -10.476 8.364 -15.300 1.00 0.00 C ATOM 1290 CD1 LEU A 78 -11.716 8.684 -14.461 1.00 0.00 C ATOM 1291 CD2 LEU A 78 -10.105 9.587 -16.143 1.00 0.00 C ATOM 0 H LEU A 78 -7.809 7.236 -12.659 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.556 6.506 -13.402 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.210 8.754 -13.591 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.372 8.016 -14.942 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.690 7.518 -15.954 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.546 8.937 -15.120 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.983 7.815 -13.860 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.503 9.528 -13.805 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.937 9.842 -16.799 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.889 10.430 -15.486 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.225 9.361 -16.745 1.00 0.00 H new ATOM 1303 N GLN A 79 -10.086 4.469 -14.751 1.00 0.00 N ATOM 1304 CA GLN A 79 -9.922 3.349 -15.727 1.00 0.00 C ATOM 1305 C GLN A 79 -11.262 3.028 -16.403 1.00 0.00 C ATOM 1306 O GLN A 79 -12.267 3.664 -16.143 1.00 0.00 O ATOM 1307 CB GLN A 79 -9.442 2.161 -14.886 1.00 0.00 C ATOM 1308 CG GLN A 79 -8.054 1.719 -15.364 1.00 0.00 C ATOM 1309 CD GLN A 79 -7.166 1.419 -14.154 1.00 0.00 C ATOM 1310 OE1 GLN A 79 -7.205 0.333 -13.611 1.00 0.00 O ATOM 1311 NE2 GLN A 79 -6.358 2.342 -13.707 1.00 0.00 N ATOM 0 H GLN A 79 -10.836 4.341 -14.071 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.221 3.595 -16.524 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.403 2.440 -13.833 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.147 1.334 -14.971 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.140 0.833 -15.993 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.602 2.501 -15.974 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.324 3.254 -14.162 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.760 2.151 -12.903 1.00 0.00 H new ATOM 1320 N TRP A 80 -11.283 2.045 -17.270 1.00 0.00 N ATOM 1321 CA TRP A 80 -12.555 1.678 -17.963 1.00 0.00 C ATOM 1322 C TRP A 80 -13.440 0.841 -17.028 1.00 0.00 C ATOM 1323 O TRP A 80 -14.560 1.210 -16.729 1.00 0.00 O ATOM 1324 CB TRP A 80 -12.119 0.860 -19.188 1.00 0.00 C ATOM 1325 CG TRP A 80 -13.312 0.221 -19.832 1.00 0.00 C ATOM 1326 CD1 TRP A 80 -14.460 0.860 -20.155 1.00 0.00 C ATOM 1327 CD2 TRP A 80 -13.491 -1.169 -20.235 1.00 0.00 C ATOM 1328 NE1 TRP A 80 -15.333 -0.049 -20.725 1.00 0.00 N ATOM 1329 CE2 TRP A 80 -14.780 -1.312 -20.798 1.00 0.00 C ATOM 1330 CE3 TRP A 80 -12.668 -2.307 -20.166 1.00 0.00 C ATOM 1331 CZ2 TRP A 80 -15.238 -2.541 -21.276 1.00 0.00 C ATOM 1332 CZ3 TRP A 80 -13.124 -3.545 -20.647 1.00 0.00 C ATOM 1333 CH2 TRP A 80 -14.406 -3.662 -21.200 1.00 0.00 C ATOM 0 H TRP A 80 -10.473 1.481 -17.527 1.00 0.00 H new ATOM 0 HA TRP A 80 -13.141 2.551 -18.252 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -11.612 1.506 -19.905 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -11.404 0.094 -18.888 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -14.662 1.909 -19.994 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -16.271 0.185 -21.051 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -11.679 -2.228 -19.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -16.227 -2.625 -21.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -12.483 -4.412 -20.590 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -14.751 -4.617 -21.567 1.00 0.00 H new ATOM 1344 N THR A 81 -12.942 -0.278 -16.566 1.00 0.00 N ATOM 1345 CA THR A 81 -13.746 -1.142 -15.648 1.00 0.00 C ATOM 1346 C THR A 81 -13.009 -1.329 -14.317 1.00 0.00 C ATOM 1347 O THR A 81 -11.890 -0.875 -14.151 1.00 0.00 O ATOM 1348 CB THR A 81 -13.902 -2.485 -16.379 1.00 0.00 C ATOM 1349 OG1 THR A 81 -12.702 -2.800 -17.076 1.00 0.00 O ATOM 1350 CG2 THR A 81 -15.061 -2.395 -17.373 1.00 0.00 C ATOM 0 H THR A 81 -12.011 -0.632 -16.785 1.00 0.00 H new ATOM 0 HA THR A 81 -14.715 -0.700 -15.414 1.00 0.00 H new ATOM 0 HB THR A 81 -14.108 -3.267 -15.649 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.806 -2.575 -18.024 1.00 0.00 H new ATOM 0 HG21 THR A 81 -15.171 -3.348 -17.891 1.00 0.00 H new ATOM 0 HG22 THR A 81 -15.982 -2.164 -16.838 1.00 0.00 H new ATOM 0 HG23 THR A 81 -14.857 -1.608 -18.100 1.00 0.00 H new ATOM 1358 N THR A 82 -13.632 -1.992 -13.370 1.00 0.00 N ATOM 1359 CA THR A 82 -12.989 -2.222 -12.033 1.00 0.00 C ATOM 1360 C THR A 82 -12.678 -0.880 -11.351 1.00 0.00 C ATOM 1361 O THR A 82 -11.541 -0.446 -11.293 1.00 0.00 O ATOM 1362 CB THR A 82 -11.697 -3.009 -12.314 1.00 0.00 C ATOM 1363 OG1 THR A 82 -11.940 -3.991 -13.314 1.00 0.00 O ATOM 1364 CG2 THR A 82 -11.229 -3.698 -11.029 1.00 0.00 C ATOM 0 H THR A 82 -14.567 -2.388 -13.466 1.00 0.00 H new ATOM 0 HA THR A 82 -13.646 -2.773 -11.359 1.00 0.00 H new ATOM 0 HB THR A 82 -10.926 -2.321 -12.663 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.115 -4.489 -13.491 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.314 -4.256 -11.228 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.037 -2.947 -10.263 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.002 -4.382 -10.681 1.00 0.00 H new ATOM 1372 N VAL A 83 -13.687 -0.226 -10.827 1.00 0.00 N ATOM 1373 CA VAL A 83 -13.465 1.091 -10.141 1.00 0.00 C ATOM 1374 C VAL A 83 -12.658 0.899 -8.844 1.00 0.00 C ATOM 1375 O VAL A 83 -11.965 1.798 -8.402 1.00 0.00 O ATOM 1376 CB VAL A 83 -14.865 1.649 -9.832 1.00 0.00 C ATOM 1377 CG1 VAL A 83 -15.649 1.834 -11.135 1.00 0.00 C ATOM 1378 CG2 VAL A 83 -15.628 0.687 -8.911 1.00 0.00 C ATOM 0 H VAL A 83 -14.656 -0.546 -10.844 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.894 1.775 -10.769 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.755 2.611 -9.332 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.640 2.229 -10.911 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.118 2.531 -11.783 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -15.748 0.873 -11.640 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.617 1.093 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.730 -0.281 -9.401 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.079 0.565 -7.977 1.00 0.00 H new ATOM 1388 N ILE A 84 -12.735 -0.263 -8.237 1.00 0.00 N ATOM 1389 CA ILE A 84 -11.963 -0.510 -6.978 1.00 0.00 C ATOM 1390 C ILE A 84 -10.607 -1.145 -7.324 1.00 0.00 C ATOM 1391 O ILE A 84 -10.543 -2.249 -7.833 1.00 0.00 O ATOM 1392 CB ILE A 84 -12.822 -1.482 -6.157 1.00 0.00 C ATOM 1393 CG1 ILE A 84 -14.082 -0.760 -5.663 1.00 0.00 C ATOM 1394 CG2 ILE A 84 -12.026 -1.986 -4.948 1.00 0.00 C ATOM 1395 CD1 ILE A 84 -15.324 -1.500 -6.162 1.00 0.00 C ATOM 0 H ILE A 84 -13.299 -1.050 -8.559 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.762 0.408 -6.425 1.00 0.00 H new ATOM 0 HB ILE A 84 -13.103 -2.327 -6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -14.085 -0.716 -4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -14.089 0.269 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -12.641 -2.675 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.129 -2.501 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.741 -1.141 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -16.219 -0.987 -5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -15.322 -1.521 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -15.318 -2.521 -5.780 1.00 0.00 H new ATOM 1407 N GLU A 85 -9.528 -0.452 -7.062 1.00 0.00 N ATOM 1408 CA GLU A 85 -8.178 -1.011 -7.388 1.00 0.00 C ATOM 1409 C GLU A 85 -7.617 -1.820 -6.209 1.00 0.00 C ATOM 1410 O GLU A 85 -7.251 -2.971 -6.365 1.00 0.00 O ATOM 1411 CB GLU A 85 -7.298 0.209 -7.674 1.00 0.00 C ATOM 1412 CG GLU A 85 -6.654 0.069 -9.058 1.00 0.00 C ATOM 1413 CD GLU A 85 -6.402 1.457 -9.654 1.00 0.00 C ATOM 1414 OE1 GLU A 85 -5.488 2.123 -9.194 1.00 0.00 O ATOM 1415 OE2 GLU A 85 -7.132 1.834 -10.559 1.00 0.00 O ATOM 0 H GLU A 85 -9.522 0.475 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.219 -1.694 -8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.896 1.119 -7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.526 0.299 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.715 -0.479 -8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.305 -0.507 -9.716 1.00 0.00 H new ATOM 1422 N ARG A 86 -7.530 -1.233 -5.038 1.00 0.00 N ATOM 1423 CA ARG A 86 -6.975 -1.985 -3.871 1.00 0.00 C ATOM 1424 C ARG A 86 -7.487 -1.411 -2.545 1.00 0.00 C ATOM 1425 O ARG A 86 -7.569 -0.210 -2.362 1.00 0.00 O ATOM 1426 CB ARG A 86 -5.459 -1.804 -3.979 1.00 0.00 C ATOM 1427 CG ARG A 86 -4.752 -2.695 -2.952 1.00 0.00 C ATOM 1428 CD ARG A 86 -3.695 -1.877 -2.203 1.00 0.00 C ATOM 1429 NE ARG A 86 -4.471 -0.902 -1.376 1.00 0.00 N ATOM 1430 CZ ARG A 86 -3.988 0.288 -1.095 1.00 0.00 C ATOM 1431 NH1 ARG A 86 -2.789 0.638 -1.489 1.00 0.00 N ATOM 1432 NH2 ARG A 86 -4.712 1.129 -0.404 1.00 0.00 N ATOM 0 H ARG A 86 -7.817 -0.274 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.275 -3.033 -3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.125 -2.058 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.196 -0.760 -3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.478 -3.102 -2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.283 -3.543 -3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.072 -2.516 -1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.029 -1.364 -2.897 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.391 -1.165 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.216 -0.016 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.428 1.565 -1.263 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.644 0.860 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.345 2.054 -0.181 1.00 0.00 H new ATOM 1446 N THR A 87 -7.811 -2.274 -1.612 1.00 0.00 N ATOM 1447 CA THR A 87 -8.300 -1.814 -0.274 1.00 0.00 C ATOM 1448 C THR A 87 -7.512 -2.522 0.836 1.00 0.00 C ATOM 1449 O THR A 87 -7.277 -3.717 0.775 1.00 0.00 O ATOM 1450 CB THR A 87 -9.783 -2.207 -0.212 1.00 0.00 C ATOM 1451 OG1 THR A 87 -9.951 -3.530 -0.706 1.00 0.00 O ATOM 1452 CG2 THR A 87 -10.609 -1.237 -1.057 1.00 0.00 C ATOM 0 H THR A 87 -7.757 -3.287 -1.722 1.00 0.00 H new ATOM 0 HA THR A 87 -8.168 -0.741 -0.138 1.00 0.00 H new ATOM 0 HB THR A 87 -10.121 -2.163 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.203 -4.088 -0.407 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.661 -1.519 -1.011 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.487 -0.225 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.268 -1.275 -2.092 1.00 0.00 H new ATOM 1460 N PHE A 88 -7.099 -1.798 1.845 1.00 0.00 N ATOM 1461 CA PHE A 88 -6.327 -2.436 2.956 1.00 0.00 C ATOM 1462 C PHE A 88 -6.675 -1.777 4.301 1.00 0.00 C ATOM 1463 O PHE A 88 -7.023 -0.613 4.364 1.00 0.00 O ATOM 1464 CB PHE A 88 -4.843 -2.251 2.572 1.00 0.00 C ATOM 1465 CG PHE A 88 -4.203 -1.117 3.347 1.00 0.00 C ATOM 1466 CD1 PHE A 88 -3.844 -1.300 4.686 1.00 0.00 C ATOM 1467 CD2 PHE A 88 -3.957 0.111 2.720 1.00 0.00 C ATOM 1468 CE1 PHE A 88 -3.246 -0.259 5.399 1.00 0.00 C ATOM 1469 CE2 PHE A 88 -3.354 1.152 3.434 1.00 0.00 C ATOM 1470 CZ PHE A 88 -3.000 0.967 4.776 1.00 0.00 C ATOM 0 H PHE A 88 -7.262 -0.796 1.948 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.564 -3.492 3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.299 -3.176 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.765 -2.051 1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.030 -2.248 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -4.233 0.254 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.973 -0.402 6.434 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.162 2.098 2.950 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.537 1.771 5.329 1.00 0.00 H new ATOM 1480 N HIS A 89 -6.592 -2.523 5.375 1.00 0.00 N ATOM 1481 CA HIS A 89 -6.924 -1.962 6.727 1.00 0.00 C ATOM 1482 C HIS A 89 -5.648 -1.787 7.558 1.00 0.00 C ATOM 1483 O HIS A 89 -4.677 -2.493 7.371 1.00 0.00 O ATOM 1484 CB HIS A 89 -7.824 -3.010 7.394 1.00 0.00 C ATOM 1485 CG HIS A 89 -9.065 -3.253 6.576 1.00 0.00 C ATOM 1486 ND1 HIS A 89 -9.989 -4.222 6.926 1.00 0.00 N ATOM 1487 CD2 HIS A 89 -9.551 -2.667 5.435 1.00 0.00 C ATOM 1488 CE1 HIS A 89 -10.975 -4.191 6.012 1.00 0.00 C ATOM 1489 NE2 HIS A 89 -10.757 -3.260 5.080 1.00 0.00 N ATOM 0 H HIS A 89 -6.307 -3.502 5.376 1.00 0.00 H new ATOM 0 HA HIS A 89 -7.407 -0.988 6.648 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.274 -3.944 7.514 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.102 -2.673 8.393 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.932 -4.846 7.731 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.069 -1.866 4.894 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -11.838 -4.840 6.030 1.00 0.00 H new ATOM 1497 N VAL A 90 -5.647 -0.864 8.487 1.00 0.00 N ATOM 1498 CA VAL A 90 -4.432 -0.666 9.343 1.00 0.00 C ATOM 1499 C VAL A 90 -4.685 -1.229 10.745 1.00 0.00 C ATOM 1500 O VAL A 90 -5.818 -1.400 11.157 1.00 0.00 O ATOM 1501 CB VAL A 90 -4.187 0.850 9.407 1.00 0.00 C ATOM 1502 CG1 VAL A 90 -3.954 1.397 7.999 1.00 0.00 C ATOM 1503 CG2 VAL A 90 -5.395 1.559 10.032 1.00 0.00 C ATOM 0 H VAL A 90 -6.429 -0.241 8.691 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.565 -1.183 8.933 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.306 1.034 10.023 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.781 2.472 8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.084 0.910 7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.831 1.200 7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.207 2.632 10.071 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.282 1.368 9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.556 1.182 11.042 1.00 0.00 H new ATOM 1513 N ASP A 91 -3.641 -1.522 11.478 1.00 0.00 N ATOM 1514 CA ASP A 91 -3.821 -2.074 12.858 1.00 0.00 C ATOM 1515 C ASP A 91 -4.095 -0.949 13.869 1.00 0.00 C ATOM 1516 O ASP A 91 -4.705 -1.174 14.897 1.00 0.00 O ATOM 1517 CB ASP A 91 -2.502 -2.778 13.189 1.00 0.00 C ATOM 1518 CG ASP A 91 -2.518 -4.196 12.615 1.00 0.00 C ATOM 1519 OD1 ASP A 91 -3.113 -5.062 13.239 1.00 0.00 O ATOM 1520 OD2 ASP A 91 -1.936 -4.392 11.562 1.00 0.00 O ATOM 0 H ASP A 91 -2.672 -1.404 11.182 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.672 -2.753 12.909 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.665 -2.217 12.774 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.358 -2.814 14.269 1.00 0.00 H new ATOM 1525 N SER A 92 -3.650 0.257 13.595 1.00 0.00 N ATOM 1526 CA SER A 92 -3.887 1.381 14.555 1.00 0.00 C ATOM 1527 C SER A 92 -4.543 2.571 13.846 1.00 0.00 C ATOM 1528 O SER A 92 -4.441 2.705 12.641 1.00 0.00 O ATOM 1529 CB SER A 92 -2.497 1.784 15.056 1.00 0.00 C ATOM 1530 OG SER A 92 -1.843 0.654 15.616 1.00 0.00 O ATOM 0 H SER A 92 -3.135 0.509 12.751 1.00 0.00 H new ATOM 0 HA SER A 92 -4.552 1.080 15.365 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.906 2.187 14.233 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.584 2.573 15.803 1.00 0.00 H new ATOM 0 HG SER A 92 -1.125 0.361 15.016 1.00 0.00 H new ATOM 1536 N PRO A 93 -5.176 3.418 14.625 1.00 0.00 N ATOM 1537 CA PRO A 93 -5.823 4.629 14.061 1.00 0.00 C ATOM 1538 C PRO A 93 -4.742 5.610 13.595 1.00 0.00 C ATOM 1539 O PRO A 93 -4.875 6.253 12.569 1.00 0.00 O ATOM 1540 CB PRO A 93 -6.626 5.191 15.233 1.00 0.00 C ATOM 1541 CG PRO A 93 -5.939 4.670 16.454 1.00 0.00 C ATOM 1542 CD PRO A 93 -5.345 3.334 16.083 1.00 0.00 C ATOM 0 HA PRO A 93 -6.455 4.432 13.195 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.635 6.281 15.219 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.665 4.863 15.194 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.163 5.360 16.785 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.644 4.564 17.279 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.393 3.166 16.587 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.004 2.512 16.363 1.00 0.00 H new ATOM 1550 N ASP A 94 -3.658 5.701 14.333 1.00 0.00 N ATOM 1551 CA ASP A 94 -2.541 6.608 13.934 1.00 0.00 C ATOM 1552 C ASP A 94 -1.921 6.118 12.620 1.00 0.00 C ATOM 1553 O ASP A 94 -1.451 6.903 11.819 1.00 0.00 O ATOM 1554 CB ASP A 94 -1.521 6.520 15.075 1.00 0.00 C ATOM 1555 CG ASP A 94 -1.826 7.589 16.126 1.00 0.00 C ATOM 1556 OD1 ASP A 94 -2.831 7.455 16.806 1.00 0.00 O ATOM 1557 OD2 ASP A 94 -1.049 8.523 16.235 1.00 0.00 O ATOM 0 H ASP A 94 -3.502 5.182 15.197 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.876 7.633 13.773 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.555 5.530 15.530 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.513 6.658 14.685 1.00 0.00 H new ATOM 1562 N GLU A 95 -1.926 4.824 12.390 1.00 0.00 N ATOM 1563 CA GLU A 95 -1.348 4.283 11.124 1.00 0.00 C ATOM 1564 C GLU A 95 -2.081 4.876 9.917 1.00 0.00 C ATOM 1565 O GLU A 95 -1.461 5.349 8.988 1.00 0.00 O ATOM 1566 CB GLU A 95 -1.566 2.766 11.189 1.00 0.00 C ATOM 1567 CG GLU A 95 -0.214 2.054 11.292 1.00 0.00 C ATOM 1568 CD GLU A 95 0.109 1.777 12.762 1.00 0.00 C ATOM 1569 OE1 GLU A 95 0.470 2.715 13.457 1.00 0.00 O ATOM 1570 OE2 GLU A 95 -0.013 0.631 13.169 1.00 0.00 O ATOM 0 H GLU A 95 -2.306 4.123 13.026 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.293 4.534 11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.187 2.515 12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.100 2.427 10.301 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.240 1.119 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.568 2.670 10.847 1.00 0.00 H new ATOM 1577 N ARG A 96 -3.394 4.867 9.927 1.00 0.00 N ATOM 1578 CA ARG A 96 -4.159 5.439 8.772 1.00 0.00 C ATOM 1579 C ARG A 96 -3.756 6.901 8.535 1.00 0.00 C ATOM 1580 O ARG A 96 -3.487 7.304 7.419 1.00 0.00 O ATOM 1581 CB ARG A 96 -5.633 5.336 9.171 1.00 0.00 C ATOM 1582 CG ARG A 96 -6.518 5.965 8.088 1.00 0.00 C ATOM 1583 CD ARG A 96 -7.292 7.149 8.681 1.00 0.00 C ATOM 1584 NE ARG A 96 -8.506 6.547 9.317 1.00 0.00 N ATOM 1585 CZ ARG A 96 -9.595 7.262 9.504 1.00 0.00 C ATOM 1586 NH1 ARG A 96 -9.635 8.530 9.168 1.00 0.00 N ATOM 1587 NH2 ARG A 96 -10.649 6.706 10.048 1.00 0.00 N ATOM 0 H ARG A 96 -3.967 4.490 10.682 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.958 4.906 7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.907 4.291 9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.796 5.841 10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.904 6.301 7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.213 5.223 7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.689 7.686 9.413 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.567 7.866 7.908 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.489 5.570 9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.815 8.974 8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.486 9.071 9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.623 5.724 10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.496 7.255 10.196 1.00 0.00 H new ATOM 1601 N GLU A 97 -3.691 7.691 9.578 1.00 0.00 N ATOM 1602 CA GLU A 97 -3.280 9.118 9.408 1.00 0.00 C ATOM 1603 C GLU A 97 -1.803 9.187 8.994 1.00 0.00 C ATOM 1604 O GLU A 97 -1.400 10.061 8.248 1.00 0.00 O ATOM 1605 CB GLU A 97 -3.497 9.771 10.777 1.00 0.00 C ATOM 1606 CG GLU A 97 -4.942 10.268 10.891 1.00 0.00 C ATOM 1607 CD GLU A 97 -4.955 11.660 11.527 1.00 0.00 C ATOM 1608 OE1 GLU A 97 -4.548 12.598 10.861 1.00 0.00 O ATOM 1609 OE2 GLU A 97 -5.369 11.763 12.671 1.00 0.00 O ATOM 0 H GLU A 97 -3.904 7.411 10.535 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.853 9.626 8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.286 9.054 11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.805 10.603 10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.405 10.303 9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.529 9.576 11.494 1.00 0.00 H new ATOM 1616 N GLU A 98 -1.000 8.261 9.467 1.00 0.00 N ATOM 1617 CA GLU A 98 0.448 8.254 9.097 1.00 0.00 C ATOM 1618 C GLU A 98 0.616 7.891 7.615 1.00 0.00 C ATOM 1619 O GLU A 98 1.405 8.493 6.912 1.00 0.00 O ATOM 1620 CB GLU A 98 1.088 7.185 9.991 1.00 0.00 C ATOM 1621 CG GLU A 98 1.393 7.783 11.369 1.00 0.00 C ATOM 1622 CD GLU A 98 2.619 8.698 11.277 1.00 0.00 C ATOM 1623 OE1 GLU A 98 3.723 8.182 11.340 1.00 0.00 O ATOM 1624 OE2 GLU A 98 2.433 9.898 11.139 1.00 0.00 O ATOM 0 H GLU A 98 -1.288 7.510 10.094 1.00 0.00 H new ATOM 0 HA GLU A 98 0.912 9.230 9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.416 6.333 10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.005 6.815 9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.533 8.347 11.729 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.576 6.986 12.089 1.00 0.00 H new ATOM 1631 N TRP A 99 -0.125 6.914 7.136 1.00 0.00 N ATOM 1632 CA TRP A 99 -0.012 6.517 5.691 1.00 0.00 C ATOM 1633 C TRP A 99 -0.387 7.700 4.795 1.00 0.00 C ATOM 1634 O TRP A 99 0.281 7.982 3.817 1.00 0.00 O ATOM 1635 CB TRP A 99 -1.009 5.369 5.485 1.00 0.00 C ATOM 1636 CG TRP A 99 -0.591 4.173 6.279 1.00 0.00 C ATOM 1637 CD1 TRP A 99 -1.402 3.477 7.104 1.00 0.00 C ATOM 1638 CD2 TRP A 99 0.710 3.518 6.337 1.00 0.00 C ATOM 1639 NE1 TRP A 99 -0.683 2.451 7.682 1.00 0.00 N ATOM 1640 CE2 TRP A 99 0.624 2.428 7.236 1.00 0.00 C ATOM 1641 CE3 TRP A 99 1.945 3.763 5.707 1.00 0.00 C ATOM 1642 CZ2 TRP A 99 1.724 1.610 7.501 1.00 0.00 C ATOM 1643 CZ3 TRP A 99 3.052 2.941 5.970 1.00 0.00 C ATOM 1644 CH2 TRP A 99 2.941 1.868 6.866 1.00 0.00 C ATOM 0 H TRP A 99 -0.800 6.377 7.681 1.00 0.00 H new ATOM 0 HA TRP A 99 1.004 6.214 5.438 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -2.007 5.685 5.789 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -1.064 5.111 4.427 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -2.446 3.689 7.283 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.069 1.790 8.356 1.00 0.00 H new ATOM 0 HE3 TRP A 99 2.041 4.588 5.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 1.635 0.784 8.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 3.994 3.136 5.480 1.00 0.00 H new ATOM 0 HH2 TRP A 99 3.797 1.241 7.065 1.00 0.00 H new ATOM 1655 N MET A 100 -1.449 8.398 5.125 1.00 0.00 N ATOM 1656 CA MET A 100 -1.870 9.573 4.299 1.00 0.00 C ATOM 1657 C MET A 100 -0.742 10.614 4.264 1.00 0.00 C ATOM 1658 O MET A 100 -0.441 11.180 3.229 1.00 0.00 O ATOM 1659 CB MET A 100 -3.107 10.144 5.001 1.00 0.00 C ATOM 1660 CG MET A 100 -4.229 10.342 3.979 1.00 0.00 C ATOM 1661 SD MET A 100 -5.457 11.491 4.648 1.00 0.00 S ATOM 1662 CE MET A 100 -4.927 12.955 3.726 1.00 0.00 C ATOM 0 H MET A 100 -2.042 8.203 5.932 1.00 0.00 H new ATOM 0 HA MET A 100 -2.088 9.296 3.268 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.435 9.467 5.790 1.00 0.00 H new ATOM 0 HB3 MET A 100 -2.862 11.094 5.477 1.00 0.00 H new ATOM 0 HG2 MET A 100 -3.821 10.731 3.046 1.00 0.00 H new ATOM 0 HG3 MET A 100 -4.698 9.386 3.748 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.562 13.801 3.990 1.00 0.00 H new ATOM 0 HE2 MET A 100 -3.891 13.187 3.975 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.008 12.761 2.657 1.00 0.00 H new ATOM 1672 N ARG A 101 -0.110 10.856 5.389 1.00 0.00 N ATOM 1673 CA ARG A 101 1.011 11.847 5.435 1.00 0.00 C ATOM 1674 C ARG A 101 2.171 11.368 4.553 1.00 0.00 C ATOM 1675 O ARG A 101 2.798 12.148 3.861 1.00 0.00 O ATOM 1676 CB ARG A 101 1.439 11.903 6.904 1.00 0.00 C ATOM 1677 CG ARG A 101 2.297 13.145 7.156 1.00 0.00 C ATOM 1678 CD ARG A 101 1.733 13.924 8.350 1.00 0.00 C ATOM 1679 NE ARG A 101 1.739 12.961 9.496 1.00 0.00 N ATOM 1680 CZ ARG A 101 1.080 13.227 10.602 1.00 0.00 C ATOM 1681 NH1 ARG A 101 0.442 14.364 10.749 1.00 0.00 N ATOM 1682 NH2 ARG A 101 1.066 12.347 11.570 1.00 0.00 N ATOM 0 H ARG A 101 -0.324 10.408 6.280 1.00 0.00 H new ATOM 0 HA ARG A 101 0.711 12.827 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.559 11.923 7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.001 11.005 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.329 12.853 7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.309 13.778 6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.343 14.800 8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.724 14.282 8.144 1.00 0.00 H new ATOM 0 HE ARG A 101 2.261 12.088 9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.453 15.056 9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.065 14.556 11.613 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.564 11.463 11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.557 12.545 12.432 1.00 0.00 H new ATOM 1696 N ALA A 102 2.453 10.086 4.568 1.00 0.00 N ATOM 1697 CA ALA A 102 3.565 9.547 3.723 1.00 0.00 C ATOM 1698 C ALA A 102 3.229 9.721 2.237 1.00 0.00 C ATOM 1699 O ALA A 102 4.070 10.107 1.446 1.00 0.00 O ATOM 1700 CB ALA A 102 3.661 8.062 4.079 1.00 0.00 C ATOM 0 H ALA A 102 1.961 9.391 5.129 1.00 0.00 H new ATOM 0 HA ALA A 102 4.506 10.067 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.458 7.599 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.880 7.956 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.714 7.572 3.853 1.00 0.00 H new ATOM 1706 N ILE A 103 2.000 9.449 1.858 1.00 0.00 N ATOM 1707 CA ILE A 103 1.592 9.606 0.425 1.00 0.00 C ATOM 1708 C ILE A 103 1.751 11.073 0.000 1.00 0.00 C ATOM 1709 O ILE A 103 2.197 11.363 -1.094 1.00 0.00 O ATOM 1710 CB ILE A 103 0.117 9.175 0.372 1.00 0.00 C ATOM 1711 CG1 ILE A 103 0.006 7.683 0.712 1.00 0.00 C ATOM 1712 CG2 ILE A 103 -0.447 9.411 -1.034 1.00 0.00 C ATOM 1713 CD1 ILE A 103 -1.430 7.354 1.128 1.00 0.00 C ATOM 0 H ILE A 103 1.261 9.124 2.482 1.00 0.00 H new ATOM 0 HA ILE A 103 2.203 9.008 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.450 9.763 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.292 7.081 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.695 7.432 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.492 9.103 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.373 10.470 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.123 8.828 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.505 6.294 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.700 7.945 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.109 7.589 0.308 1.00 0.00 H new ATOM 1725 N GLN A 104 1.405 11.998 0.865 1.00 0.00 N ATOM 1726 CA GLN A 104 1.551 13.448 0.519 1.00 0.00 C ATOM 1727 C GLN A 104 3.031 13.782 0.280 1.00 0.00 C ATOM 1728 O GLN A 104 3.372 14.505 -0.639 1.00 0.00 O ATOM 1729 CB GLN A 104 1.011 14.214 1.733 1.00 0.00 C ATOM 1730 CG GLN A 104 0.281 15.476 1.263 1.00 0.00 C ATOM 1731 CD GLN A 104 1.302 16.526 0.816 1.00 0.00 C ATOM 1732 OE1 GLN A 104 2.053 17.040 1.621 1.00 0.00 O ATOM 1733 NE2 GLN A 104 1.360 16.870 -0.442 1.00 0.00 N ATOM 0 H GLN A 104 1.028 11.811 1.794 1.00 0.00 H new ATOM 0 HA GLN A 104 1.012 13.712 -0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.332 13.580 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.830 14.483 2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.391 15.234 0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.335 15.874 2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.730 16.439 -1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 104 2.036 17.570 -0.749 1.00 0.00 H new ATOM 1742 N MET A 105 3.912 13.242 1.090 1.00 0.00 N ATOM 1743 CA MET A 105 5.371 13.507 0.898 1.00 0.00 C ATOM 1744 C MET A 105 5.843 12.857 -0.409 1.00 0.00 C ATOM 1745 O MET A 105 6.618 13.429 -1.152 1.00 0.00 O ATOM 1746 CB MET A 105 6.062 12.866 2.106 1.00 0.00 C ATOM 1747 CG MET A 105 7.405 13.556 2.355 1.00 0.00 C ATOM 1748 SD MET A 105 7.898 13.308 4.079 1.00 0.00 S ATOM 1749 CE MET A 105 7.129 14.801 4.755 1.00 0.00 C ATOM 0 H MET A 105 3.682 12.631 1.874 1.00 0.00 H new ATOM 0 HA MET A 105 5.598 14.571 0.830 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.428 12.953 2.988 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.216 11.802 1.927 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.164 13.150 1.686 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.325 14.621 2.138 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.312 14.851 5.828 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.556 15.680 4.273 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.055 14.772 4.571 1.00 0.00 H new ATOM 1759 N VAL A 106 5.359 11.673 -0.701 1.00 0.00 N ATOM 1760 CA VAL A 106 5.755 10.989 -1.970 1.00 0.00 C ATOM 1761 C VAL A 106 5.115 11.718 -3.160 1.00 0.00 C ATOM 1762 O VAL A 106 5.710 11.834 -4.214 1.00 0.00 O ATOM 1763 CB VAL A 106 5.220 9.556 -1.853 1.00 0.00 C ATOM 1764 CG1 VAL A 106 5.466 8.804 -3.164 1.00 0.00 C ATOM 1765 CG2 VAL A 106 5.938 8.828 -0.712 1.00 0.00 C ATOM 0 H VAL A 106 4.707 11.152 -0.115 1.00 0.00 H new ATOM 0 HA VAL A 106 6.834 10.991 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 106 4.150 9.591 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.085 7.787 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.953 9.315 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.536 8.774 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.555 7.811 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.008 8.798 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.762 9.357 0.225 1.00 0.00 H new ATOM 1775 N ALA A 107 3.910 12.219 -2.990 1.00 0.00 N ATOM 1776 CA ALA A 107 3.230 12.957 -4.101 1.00 0.00 C ATOM 1777 C ALA A 107 4.086 14.145 -4.548 1.00 0.00 C ATOM 1778 O ALA A 107 4.117 14.487 -5.714 1.00 0.00 O ATOM 1779 CB ALA A 107 1.902 13.438 -3.513 1.00 0.00 C ATOM 0 H ALA A 107 3.370 12.147 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 107 3.077 12.329 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.346 13.989 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.316 12.579 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.096 14.089 -2.661 1.00 0.00 H new ATOM 1785 N ASN A 108 4.795 14.766 -3.633 1.00 0.00 N ATOM 1786 CA ASN A 108 5.668 15.921 -4.012 1.00 0.00 C ATOM 1787 C ASN A 108 6.729 15.462 -5.020 1.00 0.00 C ATOM 1788 O ASN A 108 7.093 16.191 -5.922 1.00 0.00 O ATOM 1789 CB ASN A 108 6.328 16.378 -2.705 1.00 0.00 C ATOM 1790 CG ASN A 108 5.469 17.460 -2.045 1.00 0.00 C ATOM 1791 OD1 ASN A 108 5.384 18.566 -2.540 1.00 0.00 O ATOM 1792 ND2 ASN A 108 4.826 17.188 -0.943 1.00 0.00 N ATOM 0 H ASN A 108 4.806 14.522 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 108 5.105 16.729 -4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.445 15.531 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.327 16.765 -2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 108 4.252 17.904 -0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.897 16.259 -0.527 1.00 0.00 H new ATOM 1799 N SER A 109 7.217 14.251 -4.874 1.00 0.00 N ATOM 1800 CA SER A 109 8.247 13.723 -5.825 1.00 0.00 C ATOM 1801 C SER A 109 7.579 12.945 -6.975 1.00 0.00 C ATOM 1802 O SER A 109 8.144 12.806 -8.044 1.00 0.00 O ATOM 1803 CB SER A 109 9.131 12.796 -4.982 1.00 0.00 C ATOM 1804 OG SER A 109 8.441 11.577 -4.720 1.00 0.00 O ATOM 0 H SER A 109 6.944 13.604 -4.134 1.00 0.00 H new ATOM 0 HA SER A 109 8.823 14.524 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.064 12.591 -5.508 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.395 13.284 -4.044 1.00 0.00 H new ATOM 0 HG SER A 109 7.494 11.766 -4.553 1.00 0.00 H new ATOM 1810 N LEU A 110 6.387 12.431 -6.759 1.00 0.00 N ATOM 1811 CA LEU A 110 5.681 11.651 -7.832 1.00 0.00 C ATOM 1812 C LEU A 110 5.301 12.540 -9.029 1.00 0.00 C ATOM 1813 O LEU A 110 4.913 12.041 -10.070 1.00 0.00 O ATOM 1814 CB LEU A 110 4.416 11.104 -7.159 1.00 0.00 C ATOM 1815 CG LEU A 110 4.236 9.625 -7.509 1.00 0.00 C ATOM 1816 CD1 LEU A 110 4.982 8.764 -6.489 1.00 0.00 C ATOM 1817 CD2 LEU A 110 2.747 9.277 -7.474 1.00 0.00 C ATOM 0 H LEU A 110 5.871 12.519 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 110 6.321 10.864 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.488 11.224 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.545 11.672 -7.486 1.00 0.00 H new ATOM 0 HG LEU A 110 4.635 9.434 -8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.854 7.711 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.043 9.015 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.582 8.952 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.613 8.224 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.352 9.467 -6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.213 9.892 -8.198 1.00 0.00 H new ATOM 1829 N LYS A 111 5.404 13.842 -8.890 1.00 0.00 N ATOM 1830 CA LYS A 111 5.047 14.768 -10.019 1.00 0.00 C ATOM 1831 C LYS A 111 5.762 14.370 -11.325 1.00 0.00 C ATOM 1832 O LYS A 111 5.127 14.250 -12.370 1.00 0.00 O ATOM 1833 CB LYS A 111 5.509 16.159 -9.560 1.00 0.00 C ATOM 1834 CG LYS A 111 6.975 16.103 -9.104 1.00 0.00 C ATOM 1835 CD LYS A 111 7.640 17.464 -9.335 1.00 0.00 C ATOM 1836 CE LYS A 111 7.236 18.433 -8.216 1.00 0.00 C ATOM 1837 NZ LYS A 111 7.198 19.781 -8.857 1.00 0.00 N ATOM 1838 OXT LYS A 111 5.178 14.574 -12.375 1.00 0.00 O ATOM 0 H LYS A 111 5.721 14.307 -8.039 1.00 0.00 H new ATOM 0 HA LYS A 111 3.979 14.735 -10.235 1.00 0.00 H new ATOM 0 HB2 LYS A 111 5.400 16.874 -10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.879 16.509 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 111 7.028 15.836 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 111 7.508 15.329 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 111 8.724 17.351 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 111 7.341 17.866 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 111 6.265 18.169 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 111 7.953 18.408 -7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 6.928 20.494 -8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 8.138 20.010 -9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 6.501 19.779 -9.629 1.00 0.00 H new TER 1852 LYS A 111