USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1445 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: B 55 SER OG : rot -120:sc= 2.3 USER MOD Set 1.2: B 85 LYS NZ :NH3+ 155:sc= 1.16 (180deg=0) USER MOD Set 2.1: B 34 SER OG : rot 43:sc= 1.12 USER MOD Set 2.2: B 36 ASN : amide:sc= -1.79 X(o=-0.67,f=-0.28) USER MOD Set 3.1: A 45 GLN :FLIP amide:sc= 0.155 F(o=0.022,f=0.97) USER MOD Set 3.2: B 7 THR OG1 : rot 158:sc= 0.816 USER MOD Set 4.1: A 55 SER OG : rot 1:sc= 0.961 USER MOD Set 4.2: A 85 LYS NZ :NH3+ -161:sc= 0.965 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.086 USER MOD Single : A 12 SER OG : rot 129:sc= 0.236 USER MOD Single : A 15 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -84:sc= 1.04 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 57:sc= 1.17 USER MOD Single : A 34 SER OG : rot 82:sc= 1.28 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 48 HIS : no HE2:sc= -3.23! C(o=-3.2!,f=-6.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= 0.318 (180deg=-2.62) USER MOD Single : A 60 MET CE :methyl -173:sc=-0.00593 (180deg=-0.111) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 0.681 (180deg=-1.34!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.09) USER MOD Single : A 67 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.9!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0.703) USER MOD Single : A 74 ASN : amide:sc= 0.88 K(o=0.88,f=-0.41) USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -156:sc= 1.15 (180deg=-0.982!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= 0.854 (180deg=-0.139) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 0.437! (180deg=-0.105!) USER MOD Single : B 12 SER OG : rot 72:sc= 1.24 USER MOD Single : B 15 THR OG1 : rot 21:sc= 1.26 USER MOD Single : B 18 THR OG1 : rot 84:sc= 0.839 USER MOD Single : B 19 THR OG1 : rot 77:sc= 1.25 USER MOD Single : B 22 THR OG1 : rot 165:sc= 1.23 USER MOD Single : B 30 LYS NZ :NH3+ 174:sc= 1.2 (180deg=0.567) USER MOD Single : B 32 SER OG : rot 71:sc= 0.0179 USER MOD Single : B 39 LYS NZ :NH3+ -153:sc= 0.647 (180deg=-0.548) USER MOD Single : B 43 THR OG1 : rot 180:sc= -0.0354 USER MOD Single : B 44 GLN : amide:sc= -0.0517 X(o=-0.052,f=-0.052) USER MOD Single : B 45 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.1) USER MOD Single : B 48 HIS : no HE2:sc= 0.586 K(o=0.59,f=-6.5!) USER MOD Single : B 51 LYS NZ :NH3+ 131:sc= 1.13 (180deg=0.357) USER MOD Single : B 59 LYS NZ :NH3+ -160:sc= 2.07 (180deg=1.94) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 158:sc= 2.16 (180deg=1.56) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.032) USER MOD Single : B 67 GLN : amide:sc= -1.38! C(o=-1.4!,f=-3.1!) USER MOD Single : B 69 SER OG : rot -113:sc= 0.252 USER MOD Single : B 72 LYS NZ :NH3+ -157:sc= 0.66 (180deg=-0.665!) USER MOD Single : B 74 ASN : amide:sc= -0.782 K(o=-0.78,f=-4.1!) USER MOD Single : B 76 TYR OH : rot 30:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ -163:sc= 1.56 (180deg=0.983) USER MOD Single : B 90 LYS NZ :NH3+ -149:sc= 1.17 (180deg=0.698) USER MOD Single : B 91 LYS NZ :NH3+ -170:sc= 1.17 (180deg=0.352) USER MOD Single : B 94 LYS NZ :NH3+ 157:sc= -0.0109 (180deg=-0.724) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -14.772 -13.637 7.771 1.00 1.48 N ATOM 41 CA GLU A 4 -15.030 -12.324 7.204 1.00 1.16 C ATOM 42 C GLU A 4 -14.823 -12.359 5.693 1.00 1.11 C ATOM 43 O GLU A 4 -13.948 -13.076 5.208 1.00 1.15 O ATOM 44 CB GLU A 4 -14.151 -11.257 7.881 1.00 1.08 C ATOM 45 CG GLU A 4 -12.643 -11.542 7.892 1.00 1.71 C ATOM 46 CD GLU A 4 -12.290 -12.835 8.610 1.00 3.61 C ATOM 47 OE1 GLU A 4 -12.428 -12.891 9.852 1.00 4.37 O ATOM 48 OE2 GLU A 4 -12.057 -13.829 7.892 1.00 4.94 O ATOM 0 HA GLU A 4 -16.068 -12.050 7.392 1.00 1.16 H new ATOM 0 HB2 GLU A 4 -14.318 -10.304 7.379 1.00 1.08 H new ATOM 0 HB3 GLU A 4 -14.486 -11.137 8.911 1.00 1.08 H new ATOM 0 HG2 GLU A 4 -12.280 -11.592 6.865 1.00 1.71 H new ATOM 0 HG3 GLU A 4 -12.125 -10.712 8.373 1.00 1.71 H new ATOM 55 N PRO A 5 -15.602 -11.588 4.919 1.00 1.20 N ATOM 56 CA PRO A 5 -15.450 -11.542 3.480 1.00 1.37 C ATOM 57 C PRO A 5 -14.285 -10.614 3.120 1.00 1.26 C ATOM 58 O PRO A 5 -14.472 -9.639 2.395 1.00 1.47 O ATOM 59 CB PRO A 5 -16.811 -11.056 2.972 1.00 1.69 C ATOM 60 CG PRO A 5 -17.293 -10.124 4.084 1.00 1.66 C ATOM 61 CD PRO A 5 -16.660 -10.691 5.355 1.00 1.31 C ATOM 0 HA PRO A 5 -15.200 -12.499 3.021 1.00 1.37 H new ATOM 0 HB2 PRO A 5 -16.721 -10.533 2.020 1.00 1.69 H new ATOM 0 HB3 PRO A 5 -17.501 -11.885 2.816 1.00 1.69 H new ATOM 0 HG2 PRO A 5 -16.976 -9.096 3.907 1.00 1.66 H new ATOM 0 HG3 PRO A 5 -18.381 -10.115 4.152 1.00 1.66 H new ATOM 0 HD2 PRO A 5 -16.260 -9.892 5.980 1.00 1.31 H new ATOM 0 HD3 PRO A 5 -17.399 -11.224 5.953 1.00 1.31 H new ATOM 69 N LEU A 6 -13.077 -10.935 3.596 1.00 1.07 N ATOM 70 CA LEU A 6 -11.881 -10.181 3.230 1.00 1.06 C ATOM 71 C LEU A 6 -11.389 -10.630 1.849 1.00 1.04 C ATOM 72 O LEU A 6 -11.875 -11.622 1.300 1.00 1.24 O ATOM 73 CB LEU A 6 -10.804 -10.295 4.325 1.00 1.08 C ATOM 74 CG LEU A 6 -10.337 -11.707 4.732 1.00 1.13 C ATOM 75 CD1 LEU A 6 -9.565 -12.441 3.629 1.00 1.96 C ATOM 76 CD2 LEU A 6 -9.410 -11.569 5.947 1.00 1.94 C ATOM 0 H LEU A 6 -12.905 -11.712 4.235 1.00 1.07 H new ATOM 0 HA LEU A 6 -12.123 -9.121 3.157 1.00 1.06 H new ATOM 0 HB2 LEU A 6 -9.929 -9.736 3.993 1.00 1.08 H new ATOM 0 HB3 LEU A 6 -11.181 -9.797 5.218 1.00 1.08 H new ATOM 0 HG LEU A 6 -11.231 -12.293 4.945 1.00 1.13 H new ATOM 0 HD11 LEU A 6 -9.269 -13.427 3.987 1.00 1.96 H new ATOM 0 HD12 LEU A 6 -10.201 -12.550 2.751 1.00 1.96 H new ATOM 0 HD13 LEU A 6 -8.676 -11.869 3.365 1.00 1.96 H new ATOM 0 HD21 LEU A 6 -9.065 -12.556 6.255 1.00 1.94 H new ATOM 0 HD22 LEU A 6 -8.552 -10.951 5.682 1.00 1.94 H new ATOM 0 HD23 LEU A 6 -9.954 -11.102 6.768 1.00 1.94 H new ATOM 88 N THR A 7 -10.500 -9.857 1.220 1.00 1.11 N ATOM 89 CA THR A 7 -10.015 -10.100 -0.133 1.00 1.15 C ATOM 90 C THR A 7 -8.652 -9.418 -0.281 1.00 1.09 C ATOM 91 O THR A 7 -8.394 -8.454 0.439 1.00 1.07 O ATOM 92 CB THR A 7 -11.039 -9.549 -1.148 1.00 1.13 C ATOM 93 OG1 THR A 7 -12.310 -10.146 -0.985 1.00 1.56 O ATOM 94 CG2 THR A 7 -10.640 -9.775 -2.611 1.00 1.57 C ATOM 0 H THR A 7 -10.091 -9.028 1.650 1.00 1.11 H new ATOM 0 HA THR A 7 -9.898 -11.167 -0.324 1.00 1.15 H new ATOM 0 HB THR A 7 -11.067 -8.480 -0.939 1.00 1.13 H new ATOM 0 HG1 THR A 7 -12.934 -9.773 -1.642 1.00 1.56 H new ATOM 0 HG21 THR A 7 -11.407 -9.361 -3.265 1.00 1.57 H new ATOM 0 HG22 THR A 7 -9.689 -9.281 -2.809 1.00 1.57 H new ATOM 0 HG23 THR A 7 -10.540 -10.844 -2.800 1.00 1.57 H new ATOM 102 N GLU A 8 -7.856 -9.851 -1.269 1.00 1.20 N ATOM 103 CA GLU A 8 -6.443 -9.537 -1.498 1.00 1.24 C ATOM 104 C GLU A 8 -6.085 -8.088 -1.146 1.00 1.18 C ATOM 105 O GLU A 8 -5.055 -7.806 -0.533 1.00 1.22 O ATOM 106 CB GLU A 8 -6.143 -9.725 -2.999 1.00 1.33 C ATOM 107 CG GLU A 8 -6.431 -11.102 -3.623 1.00 1.42 C ATOM 108 CD GLU A 8 -6.608 -10.964 -5.134 1.00 2.29 C ATOM 109 OE1 GLU A 8 -7.598 -10.301 -5.515 1.00 2.70 O ATOM 110 OE2 GLU A 8 -5.764 -11.494 -5.891 1.00 3.69 O ATOM 0 H GLU A 8 -8.216 -10.481 -1.986 1.00 1.20 H new ATOM 0 HA GLU A 8 -5.859 -10.199 -0.859 1.00 1.24 H new ATOM 0 HB2 GLU A 8 -6.717 -8.981 -3.551 1.00 1.33 H new ATOM 0 HB3 GLU A 8 -5.089 -9.498 -3.161 1.00 1.33 H new ATOM 0 HG2 GLU A 8 -5.612 -11.787 -3.406 1.00 1.42 H new ATOM 0 HG3 GLU A 8 -7.331 -11.530 -3.181 1.00 1.42 H new ATOM 117 N LEU A 9 -6.930 -7.150 -1.585 1.00 1.11 N ATOM 118 CA LEU A 9 -6.715 -5.732 -1.375 1.00 1.06 C ATOM 119 C LEU A 9 -6.641 -5.447 0.129 1.00 1.08 C ATOM 120 O LEU A 9 -5.601 -4.998 0.622 1.00 1.12 O ATOM 121 CB LEU A 9 -7.838 -4.935 -2.057 1.00 1.02 C ATOM 122 CG LEU A 9 -7.851 -4.935 -3.601 1.00 0.93 C ATOM 123 CD1 LEU A 9 -6.633 -4.213 -4.176 1.00 2.07 C ATOM 124 CD2 LEU A 9 -7.971 -6.318 -4.252 1.00 1.77 C ATOM 0 H LEU A 9 -7.785 -7.364 -2.098 1.00 1.11 H new ATOM 0 HA LEU A 9 -5.771 -5.421 -1.821 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -8.793 -5.328 -1.709 1.00 1.02 H new ATOM 0 HB3 LEU A 9 -7.776 -3.901 -1.717 1.00 1.02 H new ATOM 0 HG LEU A 9 -8.764 -4.395 -3.851 1.00 0.93 H new ATOM 0 HD11 LEU A 9 -6.678 -4.234 -5.265 1.00 2.07 H new ATOM 0 HD12 LEU A 9 -6.628 -3.178 -3.833 1.00 2.07 H new ATOM 0 HD13 LEU A 9 -5.723 -4.711 -3.841 1.00 2.07 H new ATOM 0 HD21 LEU A 9 -7.971 -6.211 -5.337 1.00 1.77 H new ATOM 0 HD22 LEU A 9 -7.127 -6.937 -3.949 1.00 1.77 H new ATOM 0 HD23 LEU A 9 -8.900 -6.790 -3.934 1.00 1.77 H new ATOM 136 N GLU A 10 -7.717 -5.742 0.875 1.00 1.10 N ATOM 137 CA GLU A 10 -7.685 -5.566 2.323 1.00 1.20 C ATOM 138 C GLU A 10 -6.663 -6.514 2.951 1.00 1.02 C ATOM 139 O GLU A 10 -5.990 -6.143 3.908 1.00 1.09 O ATOM 140 CB GLU A 10 -9.078 -5.560 2.975 1.00 1.48 C ATOM 141 CG GLU A 10 -9.748 -6.895 3.316 1.00 1.62 C ATOM 142 CD GLU A 10 -10.688 -6.714 4.509 1.00 2.00 C ATOM 143 OE1 GLU A 10 -11.736 -6.051 4.344 1.00 2.47 O ATOM 144 OE2 GLU A 10 -10.314 -7.169 5.608 1.00 3.14 O ATOM 0 H GLU A 10 -8.599 -6.096 0.504 1.00 1.10 H new ATOM 0 HA GLU A 10 -7.330 -4.558 2.539 1.00 1.20 H new ATOM 0 HB2 GLU A 10 -9.006 -4.984 3.897 1.00 1.48 H new ATOM 0 HB3 GLU A 10 -9.749 -5.016 2.310 1.00 1.48 H new ATOM 0 HG2 GLU A 10 -10.306 -7.263 2.455 1.00 1.62 H new ATOM 0 HG3 GLU A 10 -8.990 -7.643 3.549 1.00 1.62 H new ATOM 151 N GLU A 11 -6.483 -7.682 2.332 1.00 0.95 N ATOM 152 CA GLU A 11 -5.423 -8.645 2.569 1.00 0.95 C ATOM 153 C GLU A 11 -4.077 -7.956 2.833 1.00 0.91 C ATOM 154 O GLU A 11 -3.438 -8.150 3.869 1.00 0.91 O ATOM 155 CB GLU A 11 -5.873 -9.690 3.604 1.00 1.63 C ATOM 156 CG GLU A 11 -5.368 -11.101 3.257 1.00 1.04 C ATOM 157 CD GLU A 11 -5.948 -11.667 1.960 1.00 2.14 C ATOM 158 OE1 GLU A 11 -6.992 -11.148 1.506 1.00 3.29 O ATOM 159 OE2 GLU A 11 -5.324 -12.614 1.436 1.00 3.01 O ATOM 0 H GLU A 11 -7.123 -7.995 1.602 1.00 0.95 H new ATOM 0 HA GLU A 11 -5.229 -9.220 1.664 1.00 0.95 H new ATOM 0 HB2 GLU A 11 -5.505 -9.406 4.590 1.00 1.63 H new ATOM 0 HB3 GLU A 11 -6.961 -9.698 3.661 1.00 1.63 H new ATOM 0 HG2 GLU A 11 -4.281 -11.078 3.177 1.00 1.04 H new ATOM 0 HG3 GLU A 11 -5.613 -11.776 4.077 1.00 1.04 H new ATOM 166 N SER A 12 -3.637 -7.118 1.886 1.00 1.05 N ATOM 167 CA SER A 12 -2.328 -6.484 2.002 1.00 1.17 C ATOM 168 C SER A 12 -2.396 -5.412 3.085 1.00 1.09 C ATOM 169 O SER A 12 -1.508 -5.284 3.926 1.00 1.19 O ATOM 170 CB SER A 12 -1.878 -5.912 0.650 1.00 1.47 C ATOM 171 OG SER A 12 -0.536 -5.457 0.743 1.00 2.83 O ATOM 0 H SER A 12 -4.161 -6.869 1.047 1.00 1.05 H new ATOM 0 HA SER A 12 -1.580 -7.223 2.290 1.00 1.17 H new ATOM 0 HB2 SER A 12 -1.960 -6.675 -0.124 1.00 1.47 H new ATOM 0 HB3 SER A 12 -2.531 -5.090 0.357 1.00 1.47 H new ATOM 0 HG SER A 12 -0.009 -5.839 0.010 1.00 2.83 H new ATOM 177 N ILE A 13 -3.475 -4.630 3.071 1.00 0.99 N ATOM 178 CA ILE A 13 -3.616 -3.496 3.963 1.00 0.95 C ATOM 179 C ILE A 13 -3.543 -3.941 5.426 1.00 0.91 C ATOM 180 O ILE A 13 -2.789 -3.356 6.206 1.00 0.91 O ATOM 181 CB ILE A 13 -4.905 -2.738 3.617 1.00 0.95 C ATOM 182 CG1 ILE A 13 -4.753 -2.121 2.216 1.00 1.19 C ATOM 183 CG2 ILE A 13 -5.214 -1.600 4.600 1.00 0.96 C ATOM 184 CD1 ILE A 13 -6.087 -1.840 1.558 1.00 0.99 C ATOM 0 H ILE A 13 -4.267 -4.769 2.443 1.00 0.99 H new ATOM 0 HA ILE A 13 -2.785 -2.804 3.826 1.00 0.95 H new ATOM 0 HB ILE A 13 -5.723 -3.457 3.667 1.00 0.95 H new ATOM 0 HG12 ILE A 13 -4.186 -1.193 2.291 1.00 1.19 H new ATOM 0 HG13 ILE A 13 -4.176 -2.797 1.585 1.00 1.19 H new ATOM 0 HG21 ILE A 13 -6.137 -1.102 4.302 1.00 0.96 H new ATOM 0 HG22 ILE A 13 -5.330 -2.008 5.604 1.00 0.96 H new ATOM 0 HG23 ILE A 13 -4.395 -0.881 4.593 1.00 0.96 H new ATOM 0 HD11 ILE A 13 -5.922 -1.405 0.572 1.00 0.99 H new ATOM 0 HD12 ILE A 13 -6.645 -2.771 1.456 1.00 0.99 H new ATOM 0 HD13 ILE A 13 -6.656 -1.141 2.172 1.00 0.99 H new ATOM 196 N GLU A 14 -4.318 -4.963 5.802 1.00 0.90 N ATOM 197 CA GLU A 14 -4.349 -5.454 7.169 1.00 0.90 C ATOM 198 C GLU A 14 -2.961 -5.950 7.587 1.00 0.92 C ATOM 199 O GLU A 14 -2.474 -5.605 8.668 1.00 0.94 O ATOM 200 CB GLU A 14 -5.509 -6.428 7.397 1.00 0.97 C ATOM 201 CG GLU A 14 -5.348 -7.880 6.958 1.00 1.50 C ATOM 202 CD GLU A 14 -4.946 -8.764 8.137 1.00 2.55 C ATOM 203 OE1 GLU A 14 -3.797 -8.605 8.600 1.00 3.34 O ATOM 204 OE2 GLU A 14 -5.821 -9.523 8.610 1.00 3.23 O ATOM 0 H GLU A 14 -4.936 -5.466 5.165 1.00 0.90 H new ATOM 0 HA GLU A 14 -4.573 -4.635 7.853 1.00 0.90 H new ATOM 0 HB2 GLU A 14 -5.734 -6.429 8.464 1.00 0.97 H new ATOM 0 HB3 GLU A 14 -6.384 -6.024 6.887 1.00 0.97 H new ATOM 0 HG2 GLU A 14 -6.283 -8.241 6.530 1.00 1.50 H new ATOM 0 HG3 GLU A 14 -4.593 -7.946 6.175 1.00 1.50 H new ATOM 211 N THR A 15 -2.287 -6.649 6.666 1.00 0.95 N ATOM 212 CA THR A 15 -0.917 -7.103 6.850 1.00 0.98 C ATOM 213 C THR A 15 -0.035 -5.905 7.192 1.00 0.99 C ATOM 214 O THR A 15 0.595 -5.891 8.245 1.00 1.04 O ATOM 215 CB THR A 15 -0.397 -7.881 5.628 1.00 1.03 C ATOM 216 OG1 THR A 15 -1.249 -8.974 5.351 1.00 1.01 O ATOM 217 CG2 THR A 15 1.007 -8.432 5.903 1.00 1.15 C ATOM 0 H THR A 15 -2.687 -6.914 5.766 1.00 0.95 H new ATOM 0 HA THR A 15 -0.886 -7.808 7.680 1.00 0.98 H new ATOM 0 HB THR A 15 -0.370 -7.197 4.780 1.00 1.03 H new ATOM 0 HG1 THR A 15 -2.010 -8.668 4.815 1.00 1.01 H new ATOM 0 HG21 THR A 15 1.361 -8.980 5.029 1.00 1.15 H new ATOM 0 HG22 THR A 15 1.687 -7.607 6.114 1.00 1.15 H new ATOM 0 HG23 THR A 15 0.973 -9.102 6.762 1.00 1.15 H new ATOM 225 N VAL A 16 -0.012 -4.872 6.343 1.00 0.97 N ATOM 226 CA VAL A 16 0.794 -3.690 6.593 1.00 0.95 C ATOM 227 C VAL A 16 0.524 -3.138 7.993 1.00 0.94 C ATOM 228 O VAL A 16 1.448 -2.961 8.787 1.00 0.96 O ATOM 229 CB VAL A 16 0.520 -2.625 5.519 1.00 0.93 C ATOM 230 CG1 VAL A 16 1.178 -1.316 5.939 1.00 0.94 C ATOM 231 CG2 VAL A 16 1.079 -3.034 4.159 1.00 0.96 C ATOM 0 H VAL A 16 -0.547 -4.839 5.475 1.00 0.97 H new ATOM 0 HA VAL A 16 1.847 -3.968 6.541 1.00 0.95 H new ATOM 0 HB VAL A 16 -0.560 -2.512 5.427 1.00 0.93 H new ATOM 0 HG11 VAL A 16 0.989 -0.554 5.182 1.00 0.94 H new ATOM 0 HG12 VAL A 16 0.764 -0.990 6.893 1.00 0.94 H new ATOM 0 HG13 VAL A 16 2.253 -1.466 6.042 1.00 0.94 H new ATOM 0 HG21 VAL A 16 0.864 -2.254 3.428 1.00 0.96 H new ATOM 0 HG22 VAL A 16 2.157 -3.173 4.236 1.00 0.96 H new ATOM 0 HG23 VAL A 16 0.615 -3.968 3.841 1.00 0.96 H new ATOM 241 N VAL A 17 -0.734 -2.810 8.290 1.00 0.92 N ATOM 242 CA VAL A 17 -1.056 -2.105 9.524 1.00 0.92 C ATOM 243 C VAL A 17 -0.717 -2.948 10.758 1.00 0.98 C ATOM 244 O VAL A 17 -0.166 -2.418 11.725 1.00 1.06 O ATOM 245 CB VAL A 17 -2.482 -1.537 9.499 1.00 0.92 C ATOM 246 CG1 VAL A 17 -2.650 -0.604 8.289 1.00 0.93 C ATOM 247 CG2 VAL A 17 -3.525 -2.647 9.435 1.00 0.93 C ATOM 0 H VAL A 17 -1.537 -3.020 7.697 1.00 0.92 H new ATOM 0 HA VAL A 17 -0.413 -1.228 9.600 1.00 0.92 H new ATOM 0 HB VAL A 17 -2.636 -0.979 10.423 1.00 0.92 H new ATOM 0 HG11 VAL A 17 -3.664 -0.204 8.276 1.00 0.93 H new ATOM 0 HG12 VAL A 17 -1.937 0.217 8.361 1.00 0.93 H new ATOM 0 HG13 VAL A 17 -2.469 -1.163 7.371 1.00 0.93 H new ATOM 0 HG21 VAL A 17 -4.523 -2.208 9.419 1.00 0.93 H new ATOM 0 HG22 VAL A 17 -3.373 -3.237 8.531 1.00 0.93 H new ATOM 0 HG23 VAL A 17 -3.426 -3.290 10.309 1.00 0.93 H new ATOM 257 N THR A 18 -0.989 -4.259 10.732 1.00 1.01 N ATOM 258 CA THR A 18 -0.576 -5.104 11.845 1.00 1.21 C ATOM 259 C THR A 18 0.953 -5.196 11.907 1.00 1.14 C ATOM 260 O THR A 18 1.510 -5.145 13.002 1.00 1.18 O ATOM 261 CB THR A 18 -1.303 -6.461 11.859 1.00 1.42 C ATOM 262 OG1 THR A 18 -1.237 -7.007 13.163 1.00 2.02 O ATOM 263 CG2 THR A 18 -0.757 -7.494 10.873 1.00 1.11 C ATOM 0 H THR A 18 -1.477 -4.740 9.976 1.00 1.01 H new ATOM 0 HA THR A 18 -0.891 -4.633 12.776 1.00 1.21 H new ATOM 0 HB THR A 18 -2.326 -6.251 11.547 1.00 1.42 H new ATOM 0 HG1 THR A 18 -1.699 -7.871 13.180 1.00 2.02 H new ATOM 0 HG21 THR A 18 -1.332 -8.416 10.956 1.00 1.11 H new ATOM 0 HG22 THR A 18 -0.838 -7.106 9.858 1.00 1.11 H new ATOM 0 HG23 THR A 18 0.289 -7.697 11.101 1.00 1.11 H new ATOM 271 N THR A 19 1.635 -5.276 10.758 1.00 1.08 N ATOM 272 CA THR A 19 3.089 -5.349 10.706 1.00 1.08 C ATOM 273 C THR A 19 3.698 -4.108 11.354 1.00 0.92 C ATOM 274 O THR A 19 4.604 -4.232 12.175 1.00 1.12 O ATOM 275 CB THR A 19 3.550 -5.572 9.261 1.00 1.10 C ATOM 276 OG1 THR A 19 3.418 -6.947 8.955 1.00 1.73 O ATOM 277 CG2 THR A 19 4.981 -5.118 8.976 1.00 1.08 C ATOM 0 H THR A 19 1.188 -5.292 9.841 1.00 1.08 H new ATOM 0 HA THR A 19 3.445 -6.204 11.281 1.00 1.08 H new ATOM 0 HB THR A 19 2.915 -4.952 8.629 1.00 1.10 H new ATOM 0 HG1 THR A 19 4.210 -7.430 9.271 1.00 1.73 H new ATOM 0 HG21 THR A 19 5.223 -5.313 7.931 1.00 1.08 H new ATOM 0 HG22 THR A 19 5.071 -4.050 9.176 1.00 1.08 H new ATOM 0 HG23 THR A 19 5.671 -5.666 9.617 1.00 1.08 H new ATOM 285 N PHE A 20 3.203 -2.911 11.012 1.00 0.80 N ATOM 286 CA PHE A 20 3.591 -1.701 11.722 1.00 0.87 C ATOM 287 C PHE A 20 3.478 -1.917 13.223 1.00 1.04 C ATOM 288 O PHE A 20 4.420 -1.621 13.951 1.00 1.11 O ATOM 289 CB PHE A 20 2.709 -0.512 11.334 1.00 0.99 C ATOM 290 CG PHE A 20 3.133 0.194 10.072 1.00 1.14 C ATOM 291 CD1 PHE A 20 4.283 1.000 10.090 1.00 2.08 C ATOM 292 CD2 PHE A 20 2.298 0.192 8.944 1.00 1.70 C ATOM 293 CE1 PHE A 20 4.549 1.860 9.015 1.00 2.18 C ATOM 294 CE2 PHE A 20 2.542 1.076 7.887 1.00 1.78 C ATOM 295 CZ PHE A 20 3.639 1.939 7.949 1.00 1.42 C ATOM 0 H PHE A 20 2.538 -2.762 10.253 1.00 0.80 H new ATOM 0 HA PHE A 20 4.622 -1.480 11.446 1.00 0.87 H new ATOM 0 HB2 PHE A 20 1.683 -0.861 11.213 1.00 0.99 H new ATOM 0 HB3 PHE A 20 2.707 0.206 12.154 1.00 0.99 H new ATOM 0 HD1 PHE A 20 4.961 0.957 10.930 1.00 2.08 H new ATOM 0 HD2 PHE A 20 1.465 -0.493 8.892 1.00 1.70 H new ATOM 0 HE1 PHE A 20 5.448 2.458 9.007 1.00 2.18 H new ATOM 0 HE2 PHE A 20 1.887 1.091 7.029 1.00 1.78 H new ATOM 0 HZ PHE A 20 3.788 2.673 7.171 1.00 1.42 H new ATOM 305 N PHE A 21 2.319 -2.397 13.684 1.00 1.28 N ATOM 306 CA PHE A 21 2.091 -2.586 15.106 1.00 1.69 C ATOM 307 C PHE A 21 3.150 -3.507 15.719 1.00 1.91 C ATOM 308 O PHE A 21 3.791 -3.124 16.697 1.00 2.32 O ATOM 309 CB PHE A 21 0.663 -3.060 15.388 1.00 1.80 C ATOM 310 CG PHE A 21 0.264 -2.855 16.837 1.00 2.29 C ATOM 311 CD1 PHE A 21 -0.037 -1.559 17.301 1.00 3.90 C ATOM 312 CD2 PHE A 21 0.288 -3.932 17.742 1.00 2.13 C ATOM 313 CE1 PHE A 21 -0.355 -1.351 18.653 1.00 4.57 C ATOM 314 CE2 PHE A 21 -0.034 -3.723 19.094 1.00 2.77 C ATOM 315 CZ PHE A 21 -0.372 -2.435 19.546 1.00 3.75 C ATOM 0 H PHE A 21 1.532 -2.659 13.090 1.00 1.28 H new ATOM 0 HA PHE A 21 2.196 -1.618 15.595 1.00 1.69 H new ATOM 0 HB2 PHE A 21 -0.031 -2.521 14.743 1.00 1.80 H new ATOM 0 HB3 PHE A 21 0.577 -4.117 15.136 1.00 1.80 H new ATOM 0 HD1 PHE A 21 -0.023 -0.724 16.616 1.00 3.90 H new ATOM 0 HD2 PHE A 21 0.554 -4.920 17.397 1.00 2.13 H new ATOM 0 HE1 PHE A 21 -0.587 -0.357 19.006 1.00 4.57 H new ATOM 0 HE2 PHE A 21 -0.022 -4.552 19.786 1.00 2.77 H new ATOM 0 HZ PHE A 21 -0.645 -2.279 20.579 1.00 3.75 H new ATOM 325 N THR A 22 3.345 -4.703 15.153 1.00 1.83 N ATOM 326 CA THR A 22 4.465 -5.566 15.504 1.00 2.24 C ATOM 327 C THR A 22 4.750 -6.529 14.356 1.00 1.86 C ATOM 328 O THR A 22 3.844 -6.877 13.603 1.00 2.77 O ATOM 329 CB THR A 22 4.217 -6.304 16.827 1.00 3.87 C ATOM 330 OG1 THR A 22 5.386 -7.006 17.208 1.00 4.54 O ATOM 331 CG2 THR A 22 3.041 -7.284 16.753 1.00 4.19 C ATOM 0 H THR A 22 2.729 -5.094 14.441 1.00 1.83 H new ATOM 0 HA THR A 22 5.349 -4.948 15.661 1.00 2.24 H new ATOM 0 HB THR A 22 3.963 -5.547 17.569 1.00 3.87 H new ATOM 0 HG1 THR A 22 5.225 -7.475 18.054 1.00 4.54 H new ATOM 0 HG21 THR A 22 2.915 -7.775 17.718 1.00 4.19 H new ATOM 0 HG22 THR A 22 2.130 -6.741 16.501 1.00 4.19 H new ATOM 0 HG23 THR A 22 3.240 -8.034 15.988 1.00 4.19 H new ATOM 478 N ASP A 31 1.347 4.419 14.706 1.00 1.39 N ATOM 479 CA ASP A 31 0.765 4.427 13.373 1.00 1.38 C ATOM 480 C ASP A 31 1.843 4.096 12.342 1.00 1.42 C ATOM 481 O ASP A 31 1.696 3.158 11.565 1.00 1.97 O ATOM 482 CB ASP A 31 0.106 5.787 13.101 1.00 1.56 C ATOM 483 CG ASP A 31 -1.011 5.654 12.080 1.00 2.16 C ATOM 484 OD1 ASP A 31 -2.081 5.165 12.516 1.00 2.89 O ATOM 485 OD2 ASP A 31 -0.789 6.048 10.915 1.00 3.12 O ATOM 0 HA ASP A 31 -0.011 3.665 13.299 1.00 1.38 H new ATOM 0 HB2 ASP A 31 -0.292 6.195 14.030 1.00 1.56 H new ATOM 0 HB3 ASP A 31 0.854 6.492 12.738 1.00 1.56 H new ATOM 490 N SER A 32 2.951 4.843 12.376 1.00 1.15 N ATOM 491 CA SER A 32 4.091 4.648 11.494 1.00 1.20 C ATOM 492 C SER A 32 5.391 5.032 12.217 1.00 1.14 C ATOM 493 O SER A 32 5.411 5.080 13.448 1.00 1.19 O ATOM 494 CB SER A 32 3.866 5.464 10.221 1.00 1.35 C ATOM 495 OG SER A 32 4.794 5.105 9.218 1.00 1.71 O ATOM 0 H SER A 32 3.077 5.613 13.033 1.00 1.15 H new ATOM 0 HA SER A 32 4.188 3.599 11.215 1.00 1.20 H new ATOM 0 HB2 SER A 32 2.851 5.304 9.857 1.00 1.35 H new ATOM 0 HB3 SER A 32 3.960 6.527 10.445 1.00 1.35 H new ATOM 0 HG SER A 32 4.727 4.144 9.039 1.00 1.71 H new ATOM 501 N LEU A 33 6.456 5.271 11.445 1.00 1.15 N ATOM 502 CA LEU A 33 7.815 5.551 11.911 1.00 1.11 C ATOM 503 C LEU A 33 8.215 6.982 11.548 1.00 1.06 C ATOM 504 O LEU A 33 7.456 7.724 10.920 1.00 1.19 O ATOM 505 CB LEU A 33 8.818 4.567 11.267 1.00 1.18 C ATOM 506 CG LEU A 33 8.792 3.118 11.775 1.00 1.13 C ATOM 507 CD1 LEU A 33 8.772 3.001 13.304 1.00 1.53 C ATOM 508 CD2 LEU A 33 7.622 2.355 11.172 1.00 1.23 C ATOM 0 H LEU A 33 6.388 5.274 10.427 1.00 1.15 H new ATOM 0 HA LEU A 33 7.835 5.431 12.994 1.00 1.11 H new ATOM 0 HB2 LEU A 33 8.637 4.553 10.192 1.00 1.18 H new ATOM 0 HB3 LEU A 33 9.823 4.961 11.416 1.00 1.18 H new ATOM 0 HG LEU A 33 9.729 2.670 11.444 1.00 1.13 H new ATOM 0 HD11 LEU A 33 8.754 1.949 13.588 1.00 1.53 H new ATOM 0 HD12 LEU A 33 9.663 3.473 13.717 1.00 1.53 H new ATOM 0 HD13 LEU A 33 7.884 3.498 13.695 1.00 1.53 H new ATOM 0 HD21 LEU A 33 7.624 1.331 11.546 1.00 1.23 H new ATOM 0 HD22 LEU A 33 6.688 2.842 11.451 1.00 1.23 H new ATOM 0 HD23 LEU A 33 7.715 2.345 10.086 1.00 1.23 H new ATOM 520 N SER A 34 9.441 7.350 11.916 1.00 0.95 N ATOM 521 CA SER A 34 10.045 8.610 11.502 1.00 0.86 C ATOM 522 C SER A 34 10.389 8.539 10.010 1.00 0.81 C ATOM 523 O SER A 34 10.471 7.452 9.442 1.00 0.84 O ATOM 524 CB SER A 34 11.268 8.952 12.367 1.00 0.86 C ATOM 525 OG SER A 34 11.124 8.457 13.683 1.00 1.43 O ATOM 0 H SER A 34 10.043 6.780 12.511 1.00 0.95 H new ATOM 0 HA SER A 34 9.332 9.421 11.651 1.00 0.86 H new ATOM 0 HB2 SER A 34 12.165 8.530 11.914 1.00 0.86 H new ATOM 0 HB3 SER A 34 11.404 10.033 12.396 1.00 0.86 H new ATOM 0 HG SER A 34 11.372 7.509 13.705 1.00 1.43 H new ATOM 531 N VAL A 35 10.595 9.678 9.347 1.00 0.78 N ATOM 532 CA VAL A 35 10.713 9.687 7.893 1.00 0.76 C ATOM 533 C VAL A 35 12.056 9.084 7.449 1.00 0.69 C ATOM 534 O VAL A 35 12.114 8.141 6.658 1.00 0.63 O ATOM 535 CB VAL A 35 10.543 11.125 7.392 1.00 0.85 C ATOM 536 CG1 VAL A 35 10.410 11.157 5.878 1.00 0.92 C ATOM 537 CG2 VAL A 35 9.305 11.832 7.961 1.00 0.97 C ATOM 0 H VAL A 35 10.682 10.593 9.789 1.00 0.78 H new ATOM 0 HA VAL A 35 9.931 9.067 7.456 1.00 0.76 H new ATOM 0 HB VAL A 35 11.437 11.647 7.733 1.00 0.85 H new ATOM 0 HG11 VAL A 35 10.290 12.188 5.545 1.00 0.92 H new ATOM 0 HG12 VAL A 35 11.305 10.731 5.425 1.00 0.92 H new ATOM 0 HG13 VAL A 35 9.539 10.575 5.577 1.00 0.92 H new ATOM 0 HG21 VAL A 35 9.249 12.845 7.563 1.00 0.97 H new ATOM 0 HG22 VAL A 35 8.409 11.281 7.677 1.00 0.97 H new ATOM 0 HG23 VAL A 35 9.377 11.873 9.048 1.00 0.97 H new ATOM 547 N ASN A 36 13.154 9.641 7.962 1.00 0.79 N ATOM 548 CA ASN A 36 14.498 9.145 7.689 1.00 0.84 C ATOM 549 C ASN A 36 14.620 7.684 8.138 1.00 0.83 C ATOM 550 O ASN A 36 15.143 6.846 7.414 1.00 0.86 O ATOM 551 CB ASN A 36 15.547 10.005 8.408 1.00 1.10 C ATOM 552 CG ASN A 36 16.789 10.181 7.540 1.00 1.89 C ATOM 553 OD1 ASN A 36 17.666 9.328 7.510 1.00 2.63 O ATOM 554 ND2 ASN A 36 16.870 11.291 6.809 1.00 2.29 N ATOM 0 H ASN A 36 13.133 10.452 8.581 1.00 0.79 H new ATOM 0 HA ASN A 36 14.678 9.205 6.616 1.00 0.84 H new ATOM 0 HB2 ASN A 36 15.123 10.980 8.646 1.00 1.10 H new ATOM 0 HB3 ASN A 36 15.822 9.537 9.353 1.00 1.10 H new ATOM 0 HD21 ASN A 36 17.677 11.446 6.205 1.00 2.29 H new ATOM 0 HD22 ASN A 36 16.125 11.986 6.853 1.00 2.29 H new ATOM 561 N GLU A 37 14.099 7.385 9.334 1.00 0.91 N ATOM 562 CA GLU A 37 14.012 6.032 9.874 1.00 0.96 C ATOM 563 C GLU A 37 13.373 5.119 8.827 1.00 0.81 C ATOM 564 O GLU A 37 13.970 4.128 8.410 1.00 0.84 O ATOM 565 CB GLU A 37 13.196 6.084 11.174 1.00 1.13 C ATOM 566 CG GLU A 37 12.997 4.739 11.881 1.00 1.31 C ATOM 567 CD GLU A 37 12.119 4.881 13.123 1.00 2.61 C ATOM 568 OE1 GLU A 37 11.350 5.871 13.177 1.00 3.74 O ATOM 569 OE2 GLU A 37 12.216 3.989 13.990 1.00 3.22 O ATOM 0 H GLU A 37 13.720 8.094 9.962 1.00 0.91 H new ATOM 0 HA GLU A 37 14.998 5.629 10.105 1.00 0.96 H new ATOM 0 HB2 GLU A 37 13.688 6.769 11.865 1.00 1.13 H new ATOM 0 HB3 GLU A 37 12.216 6.506 10.951 1.00 1.13 H new ATOM 0 HG2 GLU A 37 12.541 4.029 11.191 1.00 1.31 H new ATOM 0 HG3 GLU A 37 13.966 4.330 12.165 1.00 1.31 H new ATOM 576 N PHE A 38 12.169 5.487 8.375 1.00 0.74 N ATOM 577 CA PHE A 38 11.448 4.780 7.332 1.00 0.67 C ATOM 578 C PHE A 38 12.344 4.484 6.129 1.00 0.63 C ATOM 579 O PHE A 38 12.373 3.339 5.691 1.00 0.65 O ATOM 580 CB PHE A 38 10.183 5.542 6.919 1.00 0.70 C ATOM 581 CG PHE A 38 9.734 5.252 5.501 1.00 0.84 C ATOM 582 CD1 PHE A 38 9.353 3.947 5.155 1.00 1.75 C ATOM 583 CD2 PHE A 38 9.964 6.191 4.478 1.00 2.58 C ATOM 584 CE1 PHE A 38 8.924 3.660 3.853 1.00 1.80 C ATOM 585 CE2 PHE A 38 9.694 5.850 3.143 1.00 2.77 C ATOM 586 CZ PHE A 38 9.081 4.620 2.842 1.00 1.38 C ATOM 0 H PHE A 38 11.667 6.299 8.735 1.00 0.74 H new ATOM 0 HA PHE A 38 11.135 3.820 7.742 1.00 0.67 H new ATOM 0 HB2 PHE A 38 9.376 5.288 7.606 1.00 0.70 H new ATOM 0 HB3 PHE A 38 10.364 6.612 7.022 1.00 0.70 H new ATOM 0 HD1 PHE A 38 9.391 3.161 5.895 1.00 1.75 H new ATOM 0 HD2 PHE A 38 10.347 7.171 4.719 1.00 2.58 H new ATOM 0 HE1 PHE A 38 8.474 2.704 3.628 1.00 1.80 H new ATOM 0 HE2 PHE A 38 9.957 6.532 2.348 1.00 2.77 H new ATOM 0 HZ PHE A 38 8.734 4.416 1.840 1.00 1.38 H new ATOM 596 N LYS A 39 13.050 5.485 5.586 1.00 0.64 N ATOM 597 CA LYS A 39 13.939 5.290 4.438 1.00 0.73 C ATOM 598 C LYS A 39 14.791 4.030 4.630 1.00 0.67 C ATOM 599 O LYS A 39 14.809 3.130 3.785 1.00 0.68 O ATOM 600 CB LYS A 39 14.846 6.519 4.270 1.00 1.04 C ATOM 601 CG LYS A 39 15.745 6.471 3.026 1.00 1.21 C ATOM 602 CD LYS A 39 16.937 7.414 3.258 1.00 2.05 C ATOM 603 CE LYS A 39 17.893 7.430 2.059 1.00 2.52 C ATOM 604 NZ LYS A 39 19.108 8.222 2.349 1.00 3.75 N ATOM 0 H LYS A 39 13.020 6.445 5.929 1.00 0.64 H new ATOM 0 HA LYS A 39 13.334 5.165 3.540 1.00 0.73 H new ATOM 0 HB2 LYS A 39 14.223 7.412 4.221 1.00 1.04 H new ATOM 0 HB3 LYS A 39 15.474 6.617 5.155 1.00 1.04 H new ATOM 0 HG2 LYS A 39 16.094 5.454 2.848 1.00 1.21 H new ATOM 0 HG3 LYS A 39 15.186 6.775 2.141 1.00 1.21 H new ATOM 0 HD2 LYS A 39 16.571 8.424 3.444 1.00 2.05 H new ATOM 0 HD3 LYS A 39 17.479 7.102 4.151 1.00 2.05 H new ATOM 0 HE2 LYS A 39 18.175 6.409 1.803 1.00 2.52 H new ATOM 0 HE3 LYS A 39 17.383 7.847 1.191 1.00 2.52 H new ATOM 0 HZ1 LYS A 39 19.734 8.213 1.519 1.00 3.75 H new ATOM 0 HZ2 LYS A 39 18.839 9.202 2.570 1.00 3.75 H new ATOM 0 HZ3 LYS A 39 19.606 7.808 3.163 1.00 3.75 H new ATOM 618 N GLU A 40 15.516 3.987 5.747 1.00 0.70 N ATOM 619 CA GLU A 40 16.413 2.889 6.044 1.00 0.78 C ATOM 620 C GLU A 40 15.610 1.610 6.304 1.00 0.80 C ATOM 621 O GLU A 40 15.940 0.555 5.774 1.00 0.93 O ATOM 622 CB GLU A 40 17.366 3.292 7.175 1.00 0.95 C ATOM 623 CG GLU A 40 18.096 4.588 6.775 1.00 1.01 C ATOM 624 CD GLU A 40 19.343 4.851 7.609 1.00 1.60 C ATOM 625 OE1 GLU A 40 19.296 4.561 8.822 1.00 2.49 O ATOM 626 OE2 GLU A 40 20.320 5.343 7.002 1.00 2.04 O ATOM 0 H GLU A 40 15.493 4.712 6.464 1.00 0.70 H new ATOM 0 HA GLU A 40 17.049 2.662 5.188 1.00 0.78 H new ATOM 0 HB2 GLU A 40 16.810 3.443 8.100 1.00 0.95 H new ATOM 0 HB3 GLU A 40 18.087 2.496 7.362 1.00 0.95 H new ATOM 0 HG2 GLU A 40 18.375 4.531 5.723 1.00 1.01 H new ATOM 0 HG3 GLU A 40 17.412 5.430 6.879 1.00 1.01 H new ATOM 633 N LEU A 41 14.509 1.710 7.048 1.00 0.81 N ATOM 634 CA LEU A 41 13.599 0.603 7.312 1.00 0.96 C ATOM 635 C LEU A 41 13.188 -0.092 5.998 1.00 0.84 C ATOM 636 O LEU A 41 13.431 -1.284 5.813 1.00 0.97 O ATOM 637 CB LEU A 41 12.407 1.145 8.130 1.00 1.16 C ATOM 638 CG LEU A 41 11.617 0.161 9.007 1.00 1.73 C ATOM 639 CD1 LEU A 41 10.857 -0.868 8.176 1.00 3.34 C ATOM 640 CD2 LEU A 41 12.491 -0.539 10.054 1.00 1.95 C ATOM 0 H LEU A 41 14.221 2.582 7.492 1.00 0.81 H new ATOM 0 HA LEU A 41 14.085 -0.173 7.903 1.00 0.96 H new ATOM 0 HB2 LEU A 41 12.781 1.939 8.776 1.00 1.16 H new ATOM 0 HB3 LEU A 41 11.707 1.604 7.432 1.00 1.16 H new ATOM 0 HG LEU A 41 10.890 0.770 9.544 1.00 1.73 H new ATOM 0 HD11 LEU A 41 10.314 -1.542 8.839 1.00 3.34 H new ATOM 0 HD12 LEU A 41 10.152 -0.357 7.521 1.00 3.34 H new ATOM 0 HD13 LEU A 41 11.562 -1.442 7.574 1.00 3.34 H new ATOM 0 HD21 LEU A 41 11.878 -1.221 10.643 1.00 1.95 H new ATOM 0 HD22 LEU A 41 13.280 -1.101 9.553 1.00 1.95 H new ATOM 0 HD23 LEU A 41 12.938 0.206 10.712 1.00 1.95 H new ATOM 652 N VAL A 42 12.596 0.638 5.046 1.00 0.66 N ATOM 653 CA VAL A 42 12.149 0.038 3.793 1.00 0.62 C ATOM 654 C VAL A 42 13.345 -0.520 3.013 1.00 0.69 C ATOM 655 O VAL A 42 13.296 -1.662 2.556 1.00 0.77 O ATOM 656 CB VAL A 42 11.234 0.979 2.975 1.00 0.58 C ATOM 657 CG1 VAL A 42 11.924 2.250 2.460 1.00 2.44 C ATOM 658 CG2 VAL A 42 10.633 0.240 1.778 1.00 1.99 C ATOM 0 H VAL A 42 12.418 1.639 5.122 1.00 0.66 H new ATOM 0 HA VAL A 42 11.507 -0.812 4.025 1.00 0.62 H new ATOM 0 HB VAL A 42 10.462 1.293 3.677 1.00 0.58 H new ATOM 0 HG11 VAL A 42 11.208 2.850 1.898 1.00 2.44 H new ATOM 0 HG12 VAL A 42 12.298 2.828 3.305 1.00 2.44 H new ATOM 0 HG13 VAL A 42 12.756 1.975 1.811 1.00 2.44 H new ATOM 0 HG21 VAL A 42 9.992 0.919 1.215 1.00 1.99 H new ATOM 0 HG22 VAL A 42 11.434 -0.121 1.133 1.00 1.99 H new ATOM 0 HG23 VAL A 42 10.043 -0.606 2.131 1.00 1.99 H new ATOM 668 N THR A 43 14.431 0.252 2.875 1.00 0.70 N ATOM 669 CA THR A 43 15.571 -0.216 2.089 1.00 0.78 C ATOM 670 C THR A 43 16.163 -1.497 2.697 1.00 0.91 C ATOM 671 O THR A 43 16.546 -2.407 1.972 1.00 1.05 O ATOM 672 CB THR A 43 16.589 0.919 1.846 1.00 0.77 C ATOM 673 OG1 THR A 43 17.132 0.802 0.549 1.00 1.09 O ATOM 674 CG2 THR A 43 17.749 0.951 2.843 1.00 1.03 C ATOM 0 H THR A 43 14.541 1.179 3.287 1.00 0.70 H new ATOM 0 HA THR A 43 15.231 -0.500 1.093 1.00 0.78 H new ATOM 0 HB THR A 43 16.027 1.844 1.974 1.00 0.77 H new ATOM 0 HG1 THR A 43 17.776 1.525 0.398 1.00 1.09 H new ATOM 0 HG21 THR A 43 18.416 1.778 2.599 1.00 1.03 H new ATOM 0 HG22 THR A 43 17.358 1.085 3.852 1.00 1.03 H new ATOM 0 HG23 THR A 43 18.301 0.012 2.790 1.00 1.03 H new ATOM 682 N GLN A 44 16.199 -1.600 4.031 1.00 0.95 N ATOM 683 CA GLN A 44 16.612 -2.816 4.716 1.00 1.08 C ATOM 684 C GLN A 44 15.642 -3.959 4.412 1.00 1.07 C ATOM 685 O GLN A 44 16.082 -5.060 4.089 1.00 1.18 O ATOM 686 CB GLN A 44 16.704 -2.571 6.227 1.00 1.14 C ATOM 687 CG GLN A 44 17.925 -1.715 6.582 1.00 2.08 C ATOM 688 CD GLN A 44 17.852 -1.217 8.021 1.00 3.08 C ATOM 689 OE1 GLN A 44 17.852 -0.019 8.277 1.00 4.58 O ATOM 690 NE2 GLN A 44 17.795 -2.136 8.981 1.00 3.05 N ATOM 0 H GLN A 44 15.941 -0.839 4.660 1.00 0.95 H new ATOM 0 HA GLN A 44 17.599 -3.101 4.352 1.00 1.08 H new ATOM 0 HB2 GLN A 44 15.797 -2.075 6.572 1.00 1.14 H new ATOM 0 HB3 GLN A 44 16.763 -3.526 6.749 1.00 1.14 H new ATOM 0 HG2 GLN A 44 18.835 -2.299 6.443 1.00 2.08 H new ATOM 0 HG3 GLN A 44 17.985 -0.864 5.903 1.00 2.08 H new ATOM 0 HE21 GLN A 44 17.796 -3.127 8.739 1.00 3.05 H new ATOM 0 HE22 GLN A 44 17.750 -1.850 9.959 1.00 3.05 H new ATOM 699 N GLN A 45 14.332 -3.718 4.534 1.00 0.97 N ATOM 700 CA GLN A 45 13.349 -4.763 4.276 1.00 0.96 C ATOM 701 C GLN A 45 13.430 -5.286 2.843 1.00 1.03 C ATOM 702 O GLN A 45 13.193 -6.474 2.651 1.00 1.25 O ATOM 703 CB GLN A 45 11.922 -4.309 4.615 1.00 0.86 C ATOM 704 CG GLN A 45 11.640 -4.017 6.101 1.00 1.05 C ATOM 705 CD GLN A 45 12.766 -4.324 7.100 1.00 1.11 C ATOM 706 OE1 GLN A 45 13.062 -5.595 7.367 1.00 1.98 O flip ATOM 707 NE2 GLN A 45 13.356 -3.423 7.684 1.00 2.02 N flip ATOM 0 H GLN A 45 13.936 -2.818 4.807 1.00 0.97 H new ATOM 0 HA GLN A 45 13.598 -5.589 4.942 1.00 0.96 H new ATOM 0 HB2 GLN A 45 11.703 -3.409 4.041 1.00 0.86 H new ATOM 0 HB3 GLN A 45 11.228 -5.079 4.279 1.00 0.86 H new ATOM 0 HG2 GLN A 45 11.382 -2.962 6.196 1.00 1.05 H new ATOM 0 HG3 GLN A 45 10.760 -4.588 6.397 1.00 1.05 H new ATOM 0 HE21 GLN A 45 13.130 -2.449 7.480 1.00 2.02 H new ATOM 0 HE22 GLN A 45 14.073 -3.646 8.374 1.00 2.02 H new ATOM 716 N LEU A 46 13.742 -4.441 1.853 1.00 0.94 N ATOM 717 CA LEU A 46 13.933 -4.884 0.473 1.00 1.11 C ATOM 718 C LEU A 46 15.374 -5.356 0.209 1.00 1.39 C ATOM 719 O LEU A 46 16.230 -4.525 -0.074 1.00 1.94 O ATOM 720 CB LEU A 46 13.563 -3.756 -0.512 1.00 1.23 C ATOM 721 CG LEU A 46 12.050 -3.653 -0.765 1.00 1.27 C ATOM 722 CD1 LEU A 46 11.415 -2.440 -0.072 1.00 1.32 C ATOM 723 CD2 LEU A 46 11.728 -3.628 -2.262 1.00 1.99 C ATOM 0 H LEU A 46 13.868 -3.438 1.988 1.00 0.94 H new ATOM 0 HA LEU A 46 13.271 -5.736 0.316 1.00 1.11 H new ATOM 0 HB2 LEU A 46 13.926 -2.806 -0.121 1.00 1.23 H new ATOM 0 HB3 LEU A 46 14.074 -3.926 -1.460 1.00 1.23 H new ATOM 0 HG LEU A 46 11.613 -4.550 -0.327 1.00 1.27 H new ATOM 0 HD11 LEU A 46 10.346 -2.417 -0.285 1.00 1.32 H new ATOM 0 HD12 LEU A 46 11.569 -2.514 1.005 1.00 1.32 H new ATOM 0 HD13 LEU A 46 11.878 -1.526 -0.443 1.00 1.32 H new ATOM 0 HD21 LEU A 46 10.649 -3.555 -2.401 1.00 1.99 H new ATOM 0 HD22 LEU A 46 12.213 -2.768 -2.724 1.00 1.99 H new ATOM 0 HD23 LEU A 46 12.092 -4.544 -2.728 1.00 1.99 H new ATOM 735 N PRO A 47 15.670 -6.668 0.159 1.00 1.20 N ATOM 736 CA PRO A 47 16.933 -7.158 -0.385 1.00 1.36 C ATOM 737 C PRO A 47 16.941 -7.134 -1.921 1.00 1.10 C ATOM 738 O PRO A 47 17.930 -7.536 -2.532 1.00 1.13 O ATOM 739 CB PRO A 47 17.033 -8.601 0.113 1.00 1.62 C ATOM 740 CG PRO A 47 15.571 -9.032 0.042 1.00 1.42 C ATOM 741 CD PRO A 47 14.854 -7.797 0.577 1.00 1.12 C ATOM 0 HA PRO A 47 17.769 -6.535 -0.068 1.00 1.36 H new ATOM 0 HB2 PRO A 47 17.675 -9.213 -0.521 1.00 1.62 H new ATOM 0 HB3 PRO A 47 17.433 -8.662 1.125 1.00 1.62 H new ATOM 0 HG2 PRO A 47 15.265 -9.273 -0.976 1.00 1.42 H new ATOM 0 HG3 PRO A 47 15.375 -9.914 0.651 1.00 1.42 H new ATOM 0 HD2 PRO A 47 13.844 -7.723 0.174 1.00 1.12 H new ATOM 0 HD3 PRO A 47 14.762 -7.835 1.662 1.00 1.12 H new ATOM 749 N HIS A 48 15.839 -6.712 -2.557 1.00 1.15 N ATOM 750 CA HIS A 48 15.747 -6.581 -4.002 1.00 1.20 C ATOM 751 C HIS A 48 16.810 -5.589 -4.517 1.00 1.53 C ATOM 752 O HIS A 48 17.425 -4.858 -3.746 1.00 3.04 O ATOM 753 CB HIS A 48 14.341 -6.098 -4.371 1.00 1.42 C ATOM 754 CG HIS A 48 13.239 -7.088 -4.078 1.00 2.27 C ATOM 755 ND1 HIS A 48 13.290 -8.191 -3.249 1.00 3.40 N ATOM 756 CD2 HIS A 48 11.992 -7.059 -4.640 1.00 3.07 C ATOM 757 CE1 HIS A 48 12.093 -8.799 -3.310 1.00 4.58 C ATOM 758 NE2 HIS A 48 11.278 -8.156 -4.163 1.00 4.40 N ATOM 0 H HIS A 48 14.982 -6.451 -2.069 1.00 1.15 H new ATOM 0 HA HIS A 48 15.931 -7.548 -4.469 1.00 1.20 H new ATOM 0 HB2 HIS A 48 14.135 -5.174 -3.830 1.00 1.42 H new ATOM 0 HB3 HIS A 48 14.321 -5.856 -5.434 1.00 1.42 H new ATOM 0 HD1 HIS A 48 14.090 -8.490 -2.692 1.00 3.40 H new ATOM 0 HD2 HIS A 48 11.625 -6.316 -5.332 1.00 3.07 H new ATOM 0 HE1 HIS A 48 11.823 -9.683 -2.751 1.00 4.58 H new ATOM 766 N LEU A 49 17.014 -5.536 -5.838 1.00 1.06 N ATOM 767 CA LEU A 49 18.111 -4.779 -6.444 1.00 1.14 C ATOM 768 C LEU A 49 18.110 -3.282 -6.097 1.00 0.99 C ATOM 769 O LEU A 49 19.184 -2.701 -5.965 1.00 1.08 O ATOM 770 CB LEU A 49 18.117 -4.980 -7.967 1.00 1.44 C ATOM 771 CG LEU A 49 18.386 -6.431 -8.405 1.00 2.13 C ATOM 772 CD1 LEU A 49 18.222 -6.533 -9.926 1.00 2.54 C ATOM 773 CD2 LEU A 49 19.798 -6.900 -8.027 1.00 3.35 C ATOM 0 H LEU A 49 16.422 -6.017 -6.515 1.00 1.06 H new ATOM 0 HA LEU A 49 19.028 -5.180 -6.012 1.00 1.14 H new ATOM 0 HB2 LEU A 49 17.155 -4.662 -8.369 1.00 1.44 H new ATOM 0 HB3 LEU A 49 18.876 -4.332 -8.406 1.00 1.44 H new ATOM 0 HG LEU A 49 17.671 -7.071 -7.888 1.00 2.13 H new ATOM 0 HD11 LEU A 49 18.411 -7.558 -10.244 1.00 2.54 H new ATOM 0 HD12 LEU A 49 17.207 -6.249 -10.202 1.00 2.54 H new ATOM 0 HD13 LEU A 49 18.932 -5.865 -10.414 1.00 2.54 H new ATOM 0 HD21 LEU A 49 19.940 -7.929 -8.357 1.00 3.35 H new ATOM 0 HD22 LEU A 49 20.536 -6.259 -8.510 1.00 3.35 H new ATOM 0 HD23 LEU A 49 19.922 -6.845 -6.945 1.00 3.35 H new ATOM 785 N LEU A 50 16.934 -2.652 -5.989 1.00 0.96 N ATOM 786 CA LEU A 50 16.787 -1.253 -5.589 1.00 0.99 C ATOM 787 C LEU A 50 17.566 -0.326 -6.528 1.00 0.99 C ATOM 788 O LEU A 50 18.398 0.485 -6.128 1.00 1.14 O ATOM 789 CB LEU A 50 17.142 -1.065 -4.110 1.00 1.19 C ATOM 790 CG LEU A 50 16.125 -1.754 -3.189 1.00 1.58 C ATOM 791 CD1 LEU A 50 16.790 -1.945 -1.830 1.00 2.81 C ATOM 792 CD2 LEU A 50 14.842 -0.932 -3.024 1.00 2.70 C ATOM 0 H LEU A 50 16.044 -3.111 -6.181 1.00 0.96 H new ATOM 0 HA LEU A 50 15.740 -0.968 -5.687 1.00 0.99 H new ATOM 0 HB2 LEU A 50 18.136 -1.469 -3.920 1.00 1.19 H new ATOM 0 HB3 LEU A 50 17.181 -0.001 -3.878 1.00 1.19 H new ATOM 0 HG LEU A 50 15.835 -2.707 -3.631 1.00 1.58 H new ATOM 0 HD11 LEU A 50 16.093 -2.433 -1.149 1.00 2.81 H new ATOM 0 HD12 LEU A 50 17.680 -2.564 -1.944 1.00 2.81 H new ATOM 0 HD13 LEU A 50 17.073 -0.974 -1.424 1.00 2.81 H new ATOM 0 HD21 LEU A 50 14.154 -1.460 -2.364 1.00 2.70 H new ATOM 0 HD22 LEU A 50 15.085 0.039 -2.593 1.00 2.70 H new ATOM 0 HD23 LEU A 50 14.374 -0.789 -3.998 1.00 2.70 H new ATOM 804 N LYS A 51 17.268 -0.485 -7.816 1.00 1.05 N ATOM 805 CA LYS A 51 17.849 0.260 -8.926 1.00 1.15 C ATOM 806 C LYS A 51 17.363 1.719 -8.953 1.00 1.10 C ATOM 807 O LYS A 51 18.065 2.601 -9.437 1.00 1.14 O ATOM 808 CB LYS A 51 17.506 -0.499 -10.216 1.00 1.33 C ATOM 809 CG LYS A 51 15.990 -0.545 -10.478 1.00 1.36 C ATOM 810 CD LYS A 51 15.525 0.686 -11.273 1.00 1.45 C ATOM 811 CE LYS A 51 15.066 0.348 -12.691 1.00 1.60 C ATOM 812 NZ LYS A 51 14.661 1.571 -13.413 1.00 2.31 N ATOM 0 H LYS A 51 16.581 -1.171 -8.127 1.00 1.05 H new ATOM 0 HA LYS A 51 18.931 0.326 -8.815 1.00 1.15 H new ATOM 0 HB2 LYS A 51 18.004 -0.022 -11.060 1.00 1.33 H new ATOM 0 HB3 LYS A 51 17.893 -1.516 -10.151 1.00 1.33 H new ATOM 0 HG2 LYS A 51 15.741 -1.452 -11.029 1.00 1.36 H new ATOM 0 HG3 LYS A 51 15.456 -0.591 -9.529 1.00 1.36 H new ATOM 0 HD2 LYS A 51 14.707 1.168 -10.738 1.00 1.45 H new ATOM 0 HD3 LYS A 51 16.341 1.407 -11.324 1.00 1.45 H new ATOM 0 HE2 LYS A 51 15.872 -0.149 -13.231 1.00 1.60 H new ATOM 0 HE3 LYS A 51 14.230 -0.351 -12.651 1.00 1.60 H new ATOM 0 HZ1 LYS A 51 14.353 1.321 -14.374 1.00 2.31 H new ATOM 0 HZ2 LYS A 51 13.877 2.030 -12.906 1.00 2.31 H new ATOM 0 HZ3 LYS A 51 15.468 2.225 -13.468 1.00 2.31 H new ATOM 826 N ASP A 52 16.124 1.923 -8.498 1.00 1.10 N ATOM 827 CA ASP A 52 15.524 3.131 -7.964 1.00 1.10 C ATOM 828 C ASP A 52 15.985 4.457 -8.557 1.00 0.95 C ATOM 829 O ASP A 52 16.982 5.018 -8.109 1.00 1.13 O ATOM 830 CB ASP A 52 15.595 3.093 -6.429 1.00 1.42 C ATOM 831 CG ASP A 52 14.970 1.837 -5.832 1.00 1.86 C ATOM 832 OD1 ASP A 52 14.622 0.936 -6.632 1.00 3.02 O ATOM 833 OD2 ASP A 52 14.866 1.785 -4.591 1.00 2.05 O ATOM 0 H ASP A 52 15.450 1.157 -8.499 1.00 1.10 H new ATOM 0 HA ASP A 52 14.485 3.114 -8.293 1.00 1.10 H new ATOM 0 HB2 ASP A 52 16.638 3.156 -6.118 1.00 1.42 H new ATOM 0 HB3 ASP A 52 15.089 3.970 -6.026 1.00 1.42 H new ATOM 838 N VAL A 53 15.250 4.970 -9.555 1.00 0.98 N ATOM 839 CA VAL A 53 15.532 6.274 -10.136 1.00 1.06 C ATOM 840 C VAL A 53 14.270 7.121 -10.351 1.00 1.02 C ATOM 841 O VAL A 53 13.165 6.595 -10.526 1.00 1.60 O ATOM 842 CB VAL A 53 16.393 6.094 -11.400 1.00 1.85 C ATOM 843 CG1 VAL A 53 15.638 5.360 -12.515 1.00 2.27 C ATOM 844 CG2 VAL A 53 16.933 7.429 -11.924 1.00 2.67 C ATOM 0 H VAL A 53 14.452 4.491 -9.973 1.00 0.98 H new ATOM 0 HA VAL A 53 16.112 6.860 -9.423 1.00 1.06 H new ATOM 0 HB VAL A 53 17.240 5.477 -11.099 1.00 1.85 H new ATOM 0 HG11 VAL A 53 16.285 5.257 -13.386 1.00 2.27 H new ATOM 0 HG12 VAL A 53 15.341 4.372 -12.164 1.00 2.27 H new ATOM 0 HG13 VAL A 53 14.750 5.929 -12.789 1.00 2.27 H new ATOM 0 HG21 VAL A 53 17.534 7.253 -12.816 1.00 2.67 H new ATOM 0 HG22 VAL A 53 16.100 8.086 -12.172 1.00 2.67 H new ATOM 0 HG23 VAL A 53 17.550 7.898 -11.157 1.00 2.67 H new ATOM 854 N GLY A 54 14.424 8.449 -10.317 1.00 1.04 N ATOM 855 CA GLY A 54 13.395 9.415 -10.646 1.00 1.20 C ATOM 856 C GLY A 54 12.542 9.681 -9.418 1.00 1.11 C ATOM 857 O GLY A 54 12.539 10.775 -8.865 1.00 1.20 O ATOM 0 H GLY A 54 15.305 8.887 -10.048 1.00 1.04 H new ATOM 0 HA2 GLY A 54 13.849 10.342 -10.995 1.00 1.20 H new ATOM 0 HA3 GLY A 54 12.774 9.039 -11.459 1.00 1.20 H new ATOM 861 N SER A 55 11.800 8.662 -8.987 1.00 1.07 N ATOM 862 CA SER A 55 10.995 8.790 -7.781 1.00 1.06 C ATOM 863 C SER A 55 11.861 8.648 -6.530 1.00 0.94 C ATOM 864 O SER A 55 11.536 9.251 -5.510 1.00 0.99 O ATOM 865 CB SER A 55 9.825 7.814 -7.810 1.00 1.18 C ATOM 866 OG SER A 55 8.932 8.198 -8.839 1.00 1.45 O ATOM 0 H SER A 55 11.742 7.754 -9.448 1.00 1.07 H new ATOM 0 HA SER A 55 10.566 9.791 -7.746 1.00 1.06 H new ATOM 0 HB2 SER A 55 10.185 6.800 -7.982 1.00 1.18 H new ATOM 0 HB3 SER A 55 9.313 7.811 -6.848 1.00 1.18 H new ATOM 0 HG SER A 55 9.283 8.990 -9.298 1.00 1.45 H new ATOM 872 N LEU A 56 12.979 7.909 -6.611 1.00 0.85 N ATOM 873 CA LEU A 56 13.917 7.852 -5.498 1.00 0.79 C ATOM 874 C LEU A 56 14.314 9.277 -5.141 1.00 0.91 C ATOM 875 O LEU A 56 14.072 9.701 -4.021 1.00 0.81 O ATOM 876 CB LEU A 56 15.103 6.900 -5.759 1.00 1.00 C ATOM 877 CG LEU A 56 16.514 7.504 -5.566 1.00 1.35 C ATOM 878 CD1 LEU A 56 17.460 6.461 -5.004 1.00 2.56 C ATOM 879 CD2 LEU A 56 17.118 8.018 -6.878 1.00 3.38 C ATOM 0 H LEU A 56 13.245 7.354 -7.424 1.00 0.85 H new ATOM 0 HA LEU A 56 13.437 7.405 -4.628 1.00 0.79 H new ATOM 0 HB2 LEU A 56 15.004 6.039 -5.097 1.00 1.00 H new ATOM 0 HB3 LEU A 56 15.026 6.527 -6.780 1.00 1.00 H new ATOM 0 HG LEU A 56 16.395 8.342 -4.879 1.00 1.35 H new ATOM 0 HD11 LEU A 56 18.449 6.900 -4.873 1.00 2.56 H new ATOM 0 HD12 LEU A 56 17.087 6.113 -4.041 1.00 2.56 H new ATOM 0 HD13 LEU A 56 17.525 5.619 -5.693 1.00 2.56 H new ATOM 0 HD21 LEU A 56 18.108 8.431 -6.685 1.00 3.38 H new ATOM 0 HD22 LEU A 56 17.200 7.195 -7.588 1.00 3.38 H new ATOM 0 HD23 LEU A 56 16.476 8.794 -7.295 1.00 3.38 H new ATOM 891 N ASP A 57 14.878 10.006 -6.102 1.00 1.23 N ATOM 892 CA ASP A 57 15.196 11.432 -6.021 1.00 1.39 C ATOM 893 C ASP A 57 14.089 12.219 -5.298 1.00 1.36 C ATOM 894 O ASP A 57 14.329 12.843 -4.259 1.00 1.38 O ATOM 895 CB ASP A 57 15.427 11.999 -7.434 1.00 1.61 C ATOM 896 CG ASP A 57 16.343 11.139 -8.294 1.00 3.71 C ATOM 897 OD1 ASP A 57 15.842 10.105 -8.794 1.00 5.02 O ATOM 898 OD2 ASP A 57 17.530 11.506 -8.418 1.00 4.69 O ATOM 0 H ASP A 57 15.138 9.600 -7.001 1.00 1.23 H new ATOM 0 HA ASP A 57 16.110 11.542 -5.437 1.00 1.39 H new ATOM 0 HB2 ASP A 57 14.465 12.105 -7.936 1.00 1.61 H new ATOM 0 HB3 ASP A 57 15.854 12.998 -7.350 1.00 1.61 H new ATOM 903 N GLU A 58 12.864 12.174 -5.835 1.00 1.36 N ATOM 904 CA GLU A 58 11.719 12.868 -5.253 1.00 1.46 C ATOM 905 C GLU A 58 11.493 12.470 -3.791 1.00 1.25 C ATOM 906 O GLU A 58 11.163 13.308 -2.948 1.00 1.27 O ATOM 907 CB GLU A 58 10.449 12.605 -6.078 1.00 1.57 C ATOM 908 CG GLU A 58 10.511 13.207 -7.490 1.00 2.48 C ATOM 909 CD GLU A 58 10.619 14.719 -7.440 1.00 3.46 C ATOM 910 OE1 GLU A 58 9.619 15.382 -7.084 1.00 3.48 O ATOM 911 OE2 GLU A 58 11.739 15.248 -7.613 1.00 5.04 O ATOM 0 H GLU A 58 12.643 11.655 -6.685 1.00 1.36 H new ATOM 0 HA GLU A 58 11.942 13.935 -5.275 1.00 1.46 H new ATOM 0 HB2 GLU A 58 10.289 11.529 -6.155 1.00 1.57 H new ATOM 0 HB3 GLU A 58 9.589 13.018 -5.551 1.00 1.57 H new ATOM 0 HG2 GLU A 58 11.367 12.797 -8.025 1.00 2.48 H new ATOM 0 HG3 GLU A 58 9.619 12.922 -8.049 1.00 2.48 H new ATOM 918 N LYS A 59 11.662 11.190 -3.474 1.00 1.08 N ATOM 919 CA LYS A 59 11.474 10.704 -2.122 1.00 0.94 C ATOM 920 C LYS A 59 12.625 11.173 -1.230 1.00 0.85 C ATOM 921 O LYS A 59 12.403 11.577 -0.096 1.00 0.84 O ATOM 922 CB LYS A 59 11.326 9.177 -2.148 1.00 0.87 C ATOM 923 CG LYS A 59 10.504 8.668 -0.958 1.00 0.83 C ATOM 924 CD LYS A 59 9.844 7.314 -1.243 1.00 0.73 C ATOM 925 CE LYS A 59 10.774 6.107 -1.388 1.00 0.75 C ATOM 926 NZ LYS A 59 11.556 6.147 -2.641 1.00 1.09 N ATOM 0 H LYS A 59 11.931 10.470 -4.145 1.00 1.08 H new ATOM 0 HA LYS A 59 10.559 11.115 -1.695 1.00 0.94 H new ATOM 0 HB2 LYS A 59 10.846 8.873 -3.078 1.00 0.87 H new ATOM 0 HB3 LYS A 59 12.313 8.715 -2.133 1.00 0.87 H new ATOM 0 HG2 LYS A 59 11.150 8.578 -0.085 1.00 0.83 H new ATOM 0 HG3 LYS A 59 9.735 9.400 -0.711 1.00 0.83 H new ATOM 0 HD2 LYS A 59 9.139 7.104 -0.439 1.00 0.73 H new ATOM 0 HD3 LYS A 59 9.263 7.406 -2.160 1.00 0.73 H new ATOM 0 HE2 LYS A 59 11.456 6.073 -0.538 1.00 0.75 H new ATOM 0 HE3 LYS A 59 10.184 5.191 -1.360 1.00 0.75 H new ATOM 0 HZ1 LYS A 59 11.757 5.176 -2.956 1.00 1.09 H new ATOM 0 HZ2 LYS A 59 11.011 6.643 -3.375 1.00 1.09 H new ATOM 0 HZ3 LYS A 59 12.451 6.649 -2.475 1.00 1.09 H new ATOM 940 N MET A 60 13.854 11.133 -1.742 1.00 0.85 N ATOM 941 CA MET A 60 15.064 11.500 -1.035 1.00 0.85 C ATOM 942 C MET A 60 14.930 12.933 -0.532 1.00 0.91 C ATOM 943 O MET A 60 15.083 13.176 0.665 1.00 0.87 O ATOM 944 CB MET A 60 16.268 11.322 -1.971 1.00 0.94 C ATOM 945 CG MET A 60 17.606 11.427 -1.231 1.00 1.12 C ATOM 946 SD MET A 60 19.074 11.532 -2.289 1.00 1.71 S ATOM 947 CE MET A 60 18.849 10.096 -3.362 1.00 3.57 C ATOM 0 H MET A 60 14.033 10.831 -2.700 1.00 0.85 H new ATOM 0 HA MET A 60 15.221 10.857 -0.169 1.00 0.85 H new ATOM 0 HB2 MET A 60 16.203 10.351 -2.461 1.00 0.94 H new ATOM 0 HB3 MET A 60 16.230 12.078 -2.755 1.00 0.94 H new ATOM 0 HG2 MET A 60 17.578 12.307 -0.589 1.00 1.12 H new ATOM 0 HG3 MET A 60 17.710 10.560 -0.579 1.00 1.12 H new ATOM 0 HE1 MET A 60 19.736 9.962 -3.981 1.00 3.57 H new ATOM 0 HE2 MET A 60 18.694 9.206 -2.752 1.00 3.57 H new ATOM 0 HE3 MET A 60 17.981 10.253 -4.002 1.00 3.57 H new ATOM 957 N LYS A 61 14.612 13.868 -1.434 1.00 1.06 N ATOM 958 CA LYS A 61 14.427 15.255 -1.019 1.00 1.16 C ATOM 959 C LYS A 61 13.288 15.334 0.003 1.00 1.11 C ATOM 960 O LYS A 61 13.453 15.908 1.073 1.00 1.10 O ATOM 961 CB LYS A 61 14.231 16.193 -2.221 1.00 1.40 C ATOM 962 CG LYS A 61 12.861 16.021 -2.879 1.00 1.40 C ATOM 963 CD LYS A 61 12.740 16.777 -4.190 1.00 1.71 C ATOM 964 CE LYS A 61 11.271 16.804 -4.636 1.00 2.48 C ATOM 965 NZ LYS A 61 11.120 17.188 -6.051 1.00 3.03 N ATOM 0 H LYS A 61 14.481 13.693 -2.430 1.00 1.06 H new ATOM 0 HA LYS A 61 15.336 15.607 -0.531 1.00 1.16 H new ATOM 0 HB2 LYS A 61 14.347 17.226 -1.894 1.00 1.40 H new ATOM 0 HB3 LYS A 61 15.011 16.002 -2.958 1.00 1.40 H new ATOM 0 HG2 LYS A 61 12.679 14.961 -3.058 1.00 1.40 H new ATOM 0 HG3 LYS A 61 12.087 16.366 -2.193 1.00 1.40 H new ATOM 0 HD2 LYS A 61 13.113 17.794 -4.070 1.00 1.71 H new ATOM 0 HD3 LYS A 61 13.354 16.300 -4.954 1.00 1.71 H new ATOM 0 HE2 LYS A 61 10.829 15.820 -4.480 1.00 2.48 H new ATOM 0 HE3 LYS A 61 10.717 17.505 -4.011 1.00 2.48 H new ATOM 0 HZ1 LYS A 61 10.166 16.935 -6.379 1.00 3.03 H new ATOM 0 HZ2 LYS A 61 11.259 18.214 -6.149 1.00 3.03 H new ATOM 0 HZ3 LYS A 61 11.828 16.686 -6.624 1.00 3.03 H new ATOM 979 N SER A 62 12.139 14.732 -0.322 1.00 1.16 N ATOM 980 CA SER A 62 10.982 14.692 0.574 1.00 1.22 C ATOM 981 C SER A 62 11.390 14.296 2.005 1.00 1.12 C ATOM 982 O SER A 62 11.051 14.993 2.960 1.00 1.32 O ATOM 983 CB SER A 62 9.894 13.771 0.006 1.00 1.34 C ATOM 984 OG SER A 62 8.690 13.917 0.733 1.00 1.42 O ATOM 0 H SER A 62 11.987 14.260 -1.213 1.00 1.16 H new ATOM 0 HA SER A 62 10.563 15.696 0.638 1.00 1.22 H new ATOM 0 HB2 SER A 62 9.722 14.007 -1.044 1.00 1.34 H new ATOM 0 HB3 SER A 62 10.228 12.734 0.049 1.00 1.34 H new ATOM 0 HG SER A 62 8.007 13.324 0.357 1.00 1.42 H new ATOM 990 N LEU A 63 12.150 13.205 2.154 1.00 0.93 N ATOM 991 CA LEU A 63 12.684 12.801 3.448 1.00 0.93 C ATOM 992 C LEU A 63 13.587 13.897 4.011 1.00 0.91 C ATOM 993 O LEU A 63 13.396 14.320 5.146 1.00 0.99 O ATOM 994 CB LEU A 63 13.447 11.462 3.368 1.00 0.91 C ATOM 995 CG LEU A 63 12.634 10.153 3.247 1.00 1.23 C ATOM 996 CD1 LEU A 63 11.190 10.278 2.734 1.00 1.48 C ATOM 997 CD2 LEU A 63 13.379 9.184 2.322 1.00 1.82 C ATOM 0 H LEU A 63 12.407 12.586 1.385 1.00 0.93 H new ATOM 0 HA LEU A 63 11.839 12.652 4.120 1.00 0.93 H new ATOM 0 HB2 LEU A 63 14.119 11.515 2.511 1.00 0.91 H new ATOM 0 HB3 LEU A 63 14.071 11.383 4.258 1.00 0.91 H new ATOM 0 HG LEU A 63 12.547 9.799 4.274 1.00 1.23 H new ATOM 0 HD11 LEU A 63 10.731 9.290 2.696 1.00 1.48 H new ATOM 0 HD12 LEU A 63 10.619 10.918 3.407 1.00 1.48 H new ATOM 0 HD13 LEU A 63 11.195 10.715 1.735 1.00 1.48 H new ATOM 0 HD21 LEU A 63 12.811 8.258 2.232 1.00 1.82 H new ATOM 0 HD22 LEU A 63 13.494 9.637 1.337 1.00 1.82 H new ATOM 0 HD23 LEU A 63 14.363 8.967 2.738 1.00 1.82 H new ATOM 1009 N ASP A 64 14.584 14.337 3.239 1.00 0.88 N ATOM 1010 CA ASP A 64 15.576 15.303 3.696 1.00 0.97 C ATOM 1011 C ASP A 64 14.930 16.550 4.314 1.00 1.03 C ATOM 1012 O ASP A 64 15.299 16.959 5.413 1.00 1.14 O ATOM 1013 CB ASP A 64 16.497 15.668 2.528 1.00 1.05 C ATOM 1014 CG ASP A 64 17.603 16.605 2.985 1.00 1.29 C ATOM 1015 OD1 ASP A 64 18.577 16.080 3.565 1.00 2.36 O ATOM 1016 OD2 ASP A 64 17.455 17.819 2.730 1.00 1.82 O ATOM 0 H ASP A 64 14.723 14.030 2.276 1.00 0.88 H new ATOM 0 HA ASP A 64 16.166 14.845 4.490 1.00 0.97 H new ATOM 0 HB2 ASP A 64 16.933 14.762 2.106 1.00 1.05 H new ATOM 0 HB3 ASP A 64 15.917 16.142 1.736 1.00 1.05 H new ATOM 1021 N VAL A 65 13.940 17.121 3.616 1.00 1.04 N ATOM 1022 CA VAL A 65 13.309 18.402 3.940 1.00 1.19 C ATOM 1023 C VAL A 65 12.930 18.503 5.416 1.00 1.20 C ATOM 1024 O VAL A 65 13.432 19.363 6.136 1.00 1.28 O ATOM 1025 CB VAL A 65 12.076 18.606 3.037 1.00 1.33 C ATOM 1026 CG1 VAL A 65 11.158 19.749 3.490 1.00 1.86 C ATOM 1027 CG2 VAL A 65 12.533 18.933 1.621 1.00 2.42 C ATOM 0 H VAL A 65 13.544 16.687 2.782 1.00 1.04 H new ATOM 0 HA VAL A 65 14.033 19.195 3.753 1.00 1.19 H new ATOM 0 HB VAL A 65 11.512 17.675 3.092 1.00 1.33 H new ATOM 0 HG11 VAL A 65 10.314 19.831 2.806 1.00 1.86 H new ATOM 0 HG12 VAL A 65 10.791 19.544 4.496 1.00 1.86 H new ATOM 0 HG13 VAL A 65 11.716 20.685 3.491 1.00 1.86 H new ATOM 0 HG21 VAL A 65 11.662 19.077 0.982 1.00 2.42 H new ATOM 0 HG22 VAL A 65 13.130 19.845 1.633 1.00 2.42 H new ATOM 0 HG23 VAL A 65 13.135 18.111 1.234 1.00 2.42 H new ATOM 1037 N ASN A 66 11.988 17.659 5.839 1.00 1.24 N ATOM 1038 CA ASN A 66 11.496 17.630 7.221 1.00 1.39 C ATOM 1039 C ASN A 66 11.408 16.190 7.714 1.00 1.26 C ATOM 1040 O ASN A 66 10.343 15.722 8.119 1.00 1.37 O ATOM 1041 CB ASN A 66 10.135 18.339 7.355 1.00 1.68 C ATOM 1042 CG ASN A 66 10.238 19.861 7.324 1.00 2.29 C ATOM 1043 OD1 ASN A 66 10.996 20.458 8.078 1.00 2.48 O ATOM 1044 ND2 ASN A 66 9.440 20.517 6.485 1.00 3.40 N ATOM 0 H ASN A 66 11.541 16.972 5.231 1.00 1.24 H new ATOM 0 HA ASN A 66 12.206 18.174 7.844 1.00 1.39 H new ATOM 0 HB2 ASN A 66 9.481 18.010 6.547 1.00 1.68 H new ATOM 0 HB3 ASN A 66 9.665 18.033 8.290 1.00 1.68 H new ATOM 0 HD21 ASN A 66 9.452 21.537 6.462 1.00 3.40 H new ATOM 0 HD22 ASN A 66 8.816 20.000 5.865 1.00 3.40 H new ATOM 1051 N GLN A 67 12.543 15.493 7.712 1.00 1.15 N ATOM 1052 CA GLN A 67 12.606 14.096 8.116 1.00 1.08 C ATOM 1053 C GLN A 67 12.025 13.833 9.509 1.00 1.30 C ATOM 1054 O GLN A 67 11.506 12.752 9.791 1.00 1.34 O ATOM 1055 CB GLN A 67 14.030 13.535 8.056 1.00 1.16 C ATOM 1056 CG GLN A 67 15.165 14.541 8.320 1.00 1.48 C ATOM 1057 CD GLN A 67 15.032 15.273 9.650 1.00 2.75 C ATOM 1058 OE1 GLN A 67 14.463 16.356 9.712 1.00 4.69 O ATOM 1059 NE2 GLN A 67 15.500 14.668 10.737 1.00 3.12 N ATOM 0 H GLN A 67 13.442 15.883 7.430 1.00 1.15 H new ATOM 0 HA GLN A 67 11.983 13.577 7.388 1.00 1.08 H new ATOM 0 HB2 GLN A 67 14.112 12.727 8.783 1.00 1.16 H new ATOM 0 HB3 GLN A 67 14.184 13.094 7.071 1.00 1.16 H new ATOM 0 HG2 GLN A 67 16.119 14.014 8.298 1.00 1.48 H new ATOM 0 HG3 GLN A 67 15.186 15.273 7.512 1.00 1.48 H new ATOM 0 HE21 GLN A 67 15.970 13.766 10.656 1.00 3.12 H new ATOM 0 HE22 GLN A 67 15.389 15.105 11.652 1.00 3.12 H new ATOM 1068 N ASP A 68 12.180 14.805 10.399 1.00 1.50 N ATOM 1069 CA ASP A 68 11.645 14.749 11.748 1.00 1.83 C ATOM 1070 C ASP A 68 10.130 14.481 11.751 1.00 1.95 C ATOM 1071 O ASP A 68 9.608 13.838 12.660 1.00 2.24 O ATOM 1072 CB ASP A 68 11.967 16.080 12.437 1.00 2.16 C ATOM 1073 CG ASP A 68 11.322 16.166 13.811 1.00 3.10 C ATOM 1074 OD1 ASP A 68 11.958 15.668 14.764 1.00 3.37 O ATOM 1075 OD2 ASP A 68 10.215 16.742 13.876 1.00 4.24 O ATOM 0 H ASP A 68 12.689 15.666 10.198 1.00 1.50 H new ATOM 0 HA ASP A 68 12.104 13.921 12.288 1.00 1.83 H new ATOM 0 HB2 ASP A 68 13.047 16.189 12.533 1.00 2.16 H new ATOM 0 HB3 ASP A 68 11.617 16.906 11.817 1.00 2.16 H new ATOM 1080 N SER A 69 9.419 14.964 10.723 1.00 1.88 N ATOM 1081 CA SER A 69 7.965 14.945 10.652 1.00 2.15 C ATOM 1082 C SER A 69 7.416 13.524 10.509 1.00 2.36 C ATOM 1083 O SER A 69 7.078 13.083 9.412 1.00 3.74 O ATOM 1084 CB SER A 69 7.509 15.845 9.498 1.00 2.14 C ATOM 1085 OG SER A 69 6.136 16.176 9.627 1.00 2.94 O ATOM 0 H SER A 69 9.855 15.386 9.903 1.00 1.88 H new ATOM 0 HA SER A 69 7.563 15.331 11.589 1.00 2.15 H new ATOM 0 HB2 SER A 69 8.107 16.756 9.484 1.00 2.14 H new ATOM 0 HB3 SER A 69 7.677 15.338 8.548 1.00 2.14 H new ATOM 0 HG SER A 69 5.867 16.752 8.881 1.00 2.94 H new ATOM 1091 N GLU A 70 7.319 12.834 11.646 1.00 1.29 N ATOM 1092 CA GLU A 70 6.859 11.462 11.786 1.00 1.12 C ATOM 1093 C GLU A 70 5.698 11.116 10.845 1.00 1.22 C ATOM 1094 O GLU A 70 4.784 11.920 10.636 1.00 1.72 O ATOM 1095 CB GLU A 70 6.508 11.195 13.256 1.00 1.05 C ATOM 1096 CG GLU A 70 6.424 9.692 13.525 1.00 1.93 C ATOM 1097 CD GLU A 70 6.171 9.383 14.989 1.00 2.51 C ATOM 1098 OE1 GLU A 70 5.122 9.805 15.529 1.00 2.82 O ATOM 1099 OE2 GLU A 70 7.009 8.694 15.612 1.00 3.89 O ATOM 0 H GLU A 70 7.576 13.247 12.543 1.00 1.29 H new ATOM 0 HA GLU A 70 7.672 10.801 11.485 1.00 1.12 H new ATOM 0 HB2 GLU A 70 7.262 11.644 13.903 1.00 1.05 H new ATOM 0 HB3 GLU A 70 5.556 11.667 13.500 1.00 1.05 H new ATOM 0 HG2 GLU A 70 5.625 9.261 12.922 1.00 1.93 H new ATOM 0 HG3 GLU A 70 7.353 9.216 13.211 1.00 1.93 H new ATOM 1106 N LEU A 71 5.730 9.913 10.269 1.00 1.12 N ATOM 1107 CA LEU A 71 4.790 9.509 9.240 1.00 1.19 C ATOM 1108 C LEU A 71 3.488 9.024 9.879 1.00 1.27 C ATOM 1109 O LEU A 71 3.367 8.909 11.098 1.00 1.53 O ATOM 1110 CB LEU A 71 5.417 8.400 8.379 1.00 1.37 C ATOM 1111 CG LEU A 71 6.681 8.833 7.617 1.00 1.39 C ATOM 1112 CD1 LEU A 71 7.352 7.589 7.031 1.00 1.62 C ATOM 1113 CD2 LEU A 71 6.346 9.797 6.473 1.00 3.01 C ATOM 0 H LEU A 71 6.413 9.195 10.509 1.00 1.12 H new ATOM 0 HA LEU A 71 4.561 10.363 8.603 1.00 1.19 H new ATOM 0 HB2 LEU A 71 5.665 7.554 9.020 1.00 1.37 H new ATOM 0 HB3 LEU A 71 4.675 8.050 7.661 1.00 1.37 H new ATOM 0 HG LEU A 71 7.343 9.346 8.315 1.00 1.39 H new ATOM 0 HD11 LEU A 71 8.250 7.882 6.488 1.00 1.62 H new ATOM 0 HD12 LEU A 71 7.622 6.907 7.837 1.00 1.62 H new ATOM 0 HD13 LEU A 71 6.662 7.090 6.350 1.00 1.62 H new ATOM 0 HD21 LEU A 71 7.263 10.082 5.957 1.00 3.01 H new ATOM 0 HD22 LEU A 71 5.671 9.308 5.771 1.00 3.01 H new ATOM 0 HD23 LEU A 71 5.865 10.688 6.877 1.00 3.01 H new ATOM 1125 N LYS A 72 2.508 8.734 9.026 1.00 1.12 N ATOM 1126 CA LYS A 72 1.239 8.103 9.338 1.00 1.15 C ATOM 1127 C LYS A 72 1.021 7.111 8.196 1.00 0.96 C ATOM 1128 O LYS A 72 1.719 7.224 7.177 1.00 0.79 O ATOM 1129 CB LYS A 72 0.105 9.140 9.391 1.00 1.33 C ATOM 1130 CG LYS A 72 0.385 10.304 10.352 1.00 1.61 C ATOM 1131 CD LYS A 72 1.079 11.481 9.636 1.00 2.06 C ATOM 1132 CE LYS A 72 1.622 12.506 10.643 1.00 2.40 C ATOM 1133 NZ LYS A 72 2.668 13.374 10.060 1.00 3.56 N ATOM 0 H LYS A 72 2.591 8.951 8.033 1.00 1.12 H new ATOM 0 HA LYS A 72 1.245 7.619 10.314 1.00 1.15 H new ATOM 0 HB2 LYS A 72 -0.060 9.538 8.390 1.00 1.33 H new ATOM 0 HB3 LYS A 72 -0.817 8.643 9.693 1.00 1.33 H new ATOM 0 HG2 LYS A 72 -0.552 10.647 10.791 1.00 1.61 H new ATOM 0 HG3 LYS A 72 1.013 9.956 11.172 1.00 1.61 H new ATOM 0 HD2 LYS A 72 1.896 11.104 9.021 1.00 2.06 H new ATOM 0 HD3 LYS A 72 0.373 11.968 8.964 1.00 2.06 H new ATOM 0 HE2 LYS A 72 0.801 13.125 11.005 1.00 2.40 H new ATOM 0 HE3 LYS A 72 2.030 11.981 11.507 1.00 2.40 H new ATOM 0 HZ1 LYS A 72 2.749 14.245 10.622 1.00 3.56 H new ATOM 0 HZ2 LYS A 72 3.579 12.872 10.066 1.00 3.56 H new ATOM 0 HZ3 LYS A 72 2.413 13.616 9.081 1.00 3.56 H new ATOM 1147 N PHE A 73 0.091 6.159 8.350 1.00 1.03 N ATOM 1148 CA PHE A 73 -0.158 5.117 7.356 1.00 0.97 C ATOM 1149 C PHE A 73 -0.091 5.674 5.936 1.00 0.82 C ATOM 1150 O PHE A 73 0.757 5.239 5.167 1.00 0.76 O ATOM 1151 CB PHE A 73 -1.507 4.407 7.576 1.00 1.37 C ATOM 1152 CG PHE A 73 -1.622 3.548 8.821 1.00 1.30 C ATOM 1153 CD1 PHE A 73 -0.650 2.573 9.103 1.00 3.10 C ATOM 1154 CD2 PHE A 73 -2.728 3.696 9.680 1.00 2.04 C ATOM 1155 CE1 PHE A 73 -0.755 1.783 10.261 1.00 4.68 C ATOM 1156 CE2 PHE A 73 -2.845 2.890 10.824 1.00 3.43 C ATOM 1157 CZ PHE A 73 -1.857 1.929 11.113 1.00 4.66 C ATOM 0 H PHE A 73 -0.510 6.093 9.172 1.00 1.03 H new ATOM 0 HA PHE A 73 0.634 4.379 7.484 1.00 0.97 H new ATOM 0 HB2 PHE A 73 -2.290 5.164 7.610 1.00 1.37 H new ATOM 0 HB3 PHE A 73 -1.708 3.779 6.708 1.00 1.37 H new ATOM 0 HD1 PHE A 73 0.181 2.430 8.428 1.00 3.10 H new ATOM 0 HD2 PHE A 73 -3.488 4.431 9.459 1.00 2.04 H new ATOM 0 HE1 PHE A 73 0.015 1.063 10.494 1.00 4.68 H new ATOM 0 HE2 PHE A 73 -3.693 3.007 11.482 1.00 3.43 H new ATOM 0 HZ PHE A 73 -1.949 1.306 11.990 1.00 4.66 H new ATOM 1167 N ASN A 74 -0.949 6.645 5.606 1.00 1.02 N ATOM 1168 CA ASN A 74 -1.075 7.191 4.256 1.00 1.08 C ATOM 1169 C ASN A 74 0.256 7.721 3.705 1.00 0.87 C ATOM 1170 O ASN A 74 0.554 7.530 2.523 1.00 0.95 O ATOM 1171 CB ASN A 74 -2.178 8.262 4.204 1.00 1.41 C ATOM 1172 CG ASN A 74 -1.696 9.594 4.767 1.00 1.77 C ATOM 1173 OD1 ASN A 74 -1.583 9.738 5.981 1.00 2.29 O ATOM 1174 ND2 ASN A 74 -1.383 10.547 3.895 1.00 3.09 N ATOM 0 H ASN A 74 -1.582 7.077 6.279 1.00 1.02 H new ATOM 0 HA ASN A 74 -1.366 6.369 3.602 1.00 1.08 H new ATOM 0 HB2 ASN A 74 -2.504 8.399 3.173 1.00 1.41 H new ATOM 0 HB3 ASN A 74 -3.045 7.920 4.770 1.00 1.41 H new ATOM 0 HD21 ASN A 74 -1.032 11.446 4.226 1.00 3.09 H new ATOM 0 HD22 ASN A 74 -1.494 10.380 2.895 1.00 3.09 H new ATOM 1181 N GLU A 75 1.049 8.391 4.548 1.00 0.72 N ATOM 1182 CA GLU A 75 2.296 9.017 4.132 1.00 0.63 C ATOM 1183 C GLU A 75 3.322 7.945 3.794 1.00 0.60 C ATOM 1184 O GLU A 75 3.893 7.925 2.702 1.00 0.66 O ATOM 1185 CB GLU A 75 2.834 9.943 5.233 1.00 0.70 C ATOM 1186 CG GLU A 75 1.860 11.067 5.606 1.00 1.56 C ATOM 1187 CD GLU A 75 1.519 11.940 4.409 1.00 2.56 C ATOM 1188 OE1 GLU A 75 2.373 12.051 3.500 1.00 3.60 O ATOM 1189 OE2 GLU A 75 0.394 12.481 4.381 1.00 3.42 O ATOM 0 H GLU A 75 0.838 8.511 5.539 1.00 0.72 H new ATOM 0 HA GLU A 75 2.105 9.621 3.245 1.00 0.63 H new ATOM 0 HB2 GLU A 75 3.053 9.351 6.122 1.00 0.70 H new ATOM 0 HB3 GLU A 75 3.775 10.382 4.902 1.00 0.70 H new ATOM 0 HG2 GLU A 75 0.946 10.635 6.013 1.00 1.56 H new ATOM 0 HG3 GLU A 75 2.299 11.682 6.391 1.00 1.56 H new ATOM 1196 N TYR A 76 3.539 7.033 4.744 1.00 0.60 N ATOM 1197 CA TYR A 76 4.415 5.897 4.520 1.00 0.73 C ATOM 1198 C TYR A 76 3.959 5.164 3.259 1.00 0.67 C ATOM 1199 O TYR A 76 4.776 4.803 2.414 1.00 0.68 O ATOM 1200 CB TYR A 76 4.385 4.992 5.750 1.00 0.91 C ATOM 1201 CG TYR A 76 5.426 3.887 5.756 1.00 1.60 C ATOM 1202 CD1 TYR A 76 5.235 2.734 4.968 1.00 1.74 C ATOM 1203 CD2 TYR A 76 6.426 3.889 6.747 1.00 3.31 C ATOM 1204 CE1 TYR A 76 6.050 1.606 5.156 1.00 2.03 C ATOM 1205 CE2 TYR A 76 7.183 2.732 6.986 1.00 3.90 C ATOM 1206 CZ TYR A 76 7.037 1.613 6.153 1.00 2.85 C ATOM 1207 OH TYR A 76 7.922 0.585 6.256 1.00 3.59 O ATOM 0 H TYR A 76 3.118 7.065 5.672 1.00 0.60 H new ATOM 0 HA TYR A 76 5.445 6.221 4.370 1.00 0.73 H new ATOM 0 HB2 TYR A 76 4.524 5.607 6.639 1.00 0.91 H new ATOM 0 HB3 TYR A 76 3.396 4.540 5.827 1.00 0.91 H new ATOM 0 HD1 TYR A 76 4.459 2.718 4.217 1.00 1.74 H new ATOM 0 HD2 TYR A 76 6.611 4.783 7.324 1.00 3.31 H new ATOM 0 HE1 TYR A 76 5.917 0.734 4.533 1.00 2.03 H new ATOM 0 HE2 TYR A 76 7.878 2.703 7.812 1.00 3.90 H new ATOM 0 HH TYR A 76 8.075 0.195 5.370 1.00 3.59 H new ATOM 1217 N TRP A 77 2.641 4.977 3.133 1.00 0.64 N ATOM 1218 CA TRP A 77 2.021 4.384 1.967 1.00 0.66 C ATOM 1219 C TRP A 77 2.553 5.021 0.692 1.00 0.68 C ATOM 1220 O TRP A 77 3.315 4.375 -0.020 1.00 0.74 O ATOM 1221 CB TRP A 77 0.489 4.465 2.032 1.00 0.66 C ATOM 1222 CG TRP A 77 -0.171 3.166 1.807 1.00 0.66 C ATOM 1223 CD1 TRP A 77 -0.592 2.753 0.602 1.00 0.59 C ATOM 1224 CD2 TRP A 77 -0.601 2.153 2.760 1.00 0.75 C ATOM 1225 NE1 TRP A 77 -1.138 1.506 0.715 1.00 0.67 N ATOM 1226 CE2 TRP A 77 -1.210 1.101 2.024 1.00 0.78 C ATOM 1227 CE3 TRP A 77 -0.621 2.044 4.167 1.00 0.84 C ATOM 1228 CZ2 TRP A 77 -1.764 -0.022 2.636 1.00 0.95 C ATOM 1229 CZ3 TRP A 77 -1.257 0.951 4.785 1.00 0.94 C ATOM 1230 CH2 TRP A 77 -1.763 -0.108 4.030 1.00 1.02 C ATOM 0 H TRP A 77 1.973 5.242 3.857 1.00 0.64 H new ATOM 0 HA TRP A 77 2.285 3.326 1.955 1.00 0.66 H new ATOM 0 HB2 TRP A 77 0.193 4.852 3.007 1.00 0.66 H new ATOM 0 HB3 TRP A 77 0.137 5.178 1.286 1.00 0.66 H new ATOM 0 HD1 TRP A 77 -0.512 3.318 -0.315 1.00 0.59 H new ATOM 0 HE1 TRP A 77 -1.453 0.945 -0.076 1.00 0.67 H new ATOM 0 HE3 TRP A 77 -0.146 2.802 4.772 1.00 0.84 H new ATOM 0 HZ2 TRP A 77 -2.189 -0.816 2.040 1.00 0.95 H new ATOM 0 HZ3 TRP A 77 -1.355 0.932 5.860 1.00 0.94 H new ATOM 0 HH2 TRP A 77 -2.151 -0.988 4.520 1.00 1.02 H new ATOM 1241 N ARG A 78 2.146 6.257 0.377 1.00 0.65 N ATOM 1242 CA ARG A 78 2.562 6.894 -0.864 1.00 0.64 C ATOM 1243 C ARG A 78 4.075 6.757 -1.088 1.00 0.66 C ATOM 1244 O ARG A 78 4.491 6.310 -2.152 1.00 0.67 O ATOM 1245 CB ARG A 78 2.023 8.325 -0.956 1.00 0.73 C ATOM 1246 CG ARG A 78 2.442 9.333 0.120 1.00 1.47 C ATOM 1247 CD ARG A 78 1.543 10.564 -0.058 1.00 1.56 C ATOM 1248 NE ARG A 78 1.819 11.650 0.906 1.00 2.19 N ATOM 1249 CZ ARG A 78 1.520 12.948 0.720 1.00 2.87 C ATOM 1250 NH1 ARG A 78 1.010 13.376 -0.441 1.00 3.49 N ATOM 1251 NH2 ARG A 78 1.724 13.816 1.710 1.00 3.71 N ATOM 0 H ARG A 78 1.535 6.826 0.963 1.00 0.65 H new ATOM 0 HA ARG A 78 2.111 6.365 -1.703 1.00 0.64 H new ATOM 0 HB2 ARG A 78 2.320 8.730 -1.924 1.00 0.73 H new ATOM 0 HB3 ARG A 78 0.934 8.270 -0.954 1.00 0.73 H new ATOM 0 HG2 ARG A 78 2.323 8.908 1.117 1.00 1.47 H new ATOM 0 HG3 ARG A 78 3.493 9.602 0.011 1.00 1.47 H new ATOM 0 HD2 ARG A 78 1.667 10.949 -1.070 1.00 1.56 H new ATOM 0 HD3 ARG A 78 0.501 10.259 0.042 1.00 1.56 H new ATOM 0 HE ARG A 78 2.273 11.394 1.783 1.00 2.19 H new ATOM 0 HH11 ARG A 78 0.843 12.715 -1.199 1.00 3.49 H new ATOM 0 HH12 ARG A 78 0.788 14.364 -0.567 1.00 3.49 H new ATOM 0 HH21 ARG A 78 2.104 13.494 2.600 1.00 3.71 H new ATOM 0 HH22 ARG A 78 1.500 14.802 1.578 1.00 3.71 H new ATOM 1265 N LEU A 79 4.887 6.984 -0.048 1.00 0.69 N ATOM 1266 CA LEU A 79 6.326 6.752 -0.129 1.00 0.68 C ATOM 1267 C LEU A 79 6.688 5.331 -0.618 1.00 0.68 C ATOM 1268 O LEU A 79 7.495 5.204 -1.544 1.00 0.71 O ATOM 1269 CB LEU A 79 6.997 7.089 1.211 1.00 0.70 C ATOM 1270 CG LEU A 79 7.364 8.574 1.426 1.00 0.76 C ATOM 1271 CD1 LEU A 79 6.342 9.584 0.886 1.00 0.91 C ATOM 1272 CD2 LEU A 79 7.545 8.849 2.924 1.00 0.89 C ATOM 0 H LEU A 79 4.568 7.328 0.858 1.00 0.69 H new ATOM 0 HA LEU A 79 6.718 7.426 -0.891 1.00 0.68 H new ATOM 0 HB2 LEU A 79 6.332 6.779 2.017 1.00 0.70 H new ATOM 0 HB3 LEU A 79 7.906 6.493 1.300 1.00 0.70 H new ATOM 0 HG LEU A 79 8.283 8.719 0.858 1.00 0.76 H new ATOM 0 HD11 LEU A 79 6.691 10.597 1.086 1.00 0.91 H new ATOM 0 HD12 LEU A 79 6.227 9.445 -0.189 1.00 0.91 H new ATOM 0 HD13 LEU A 79 5.382 9.428 1.377 1.00 0.91 H new ATOM 0 HD21 LEU A 79 7.804 9.897 3.073 1.00 0.89 H new ATOM 0 HD22 LEU A 79 6.616 8.626 3.450 1.00 0.89 H new ATOM 0 HD23 LEU A 79 8.344 8.219 3.316 1.00 0.89 H new ATOM 1284 N ILE A 80 6.144 4.246 -0.041 1.00 0.68 N ATOM 1285 CA ILE A 80 6.427 2.923 -0.618 1.00 0.69 C ATOM 1286 C ILE A 80 5.775 2.777 -1.992 1.00 0.64 C ATOM 1287 O ILE A 80 6.239 1.978 -2.789 1.00 0.57 O ATOM 1288 CB ILE A 80 6.127 1.698 0.274 1.00 0.73 C ATOM 1289 CG1 ILE A 80 4.656 1.274 0.199 1.00 0.77 C ATOM 1290 CG2 ILE A 80 6.605 1.912 1.692 1.00 0.77 C ATOM 1291 CD1 ILE A 80 4.247 0.016 0.966 1.00 0.73 C ATOM 0 H ILE A 80 5.538 4.253 0.780 1.00 0.68 H new ATOM 0 HA ILE A 80 7.513 2.908 -0.712 1.00 0.69 H new ATOM 0 HB ILE A 80 6.699 0.860 -0.123 1.00 0.73 H new ATOM 0 HG12 ILE A 80 4.048 2.102 0.562 1.00 0.77 H new ATOM 0 HG13 ILE A 80 4.401 1.127 -0.850 1.00 0.77 H new ATOM 0 HG21 ILE A 80 6.377 1.030 2.290 1.00 0.77 H new ATOM 0 HG22 ILE A 80 7.682 2.081 1.691 1.00 0.77 H new ATOM 0 HG23 ILE A 80 6.102 2.780 2.119 1.00 0.77 H new ATOM 0 HD11 ILE A 80 3.182 -0.166 0.825 1.00 0.73 H new ATOM 0 HD12 ILE A 80 4.813 -0.838 0.593 1.00 0.73 H new ATOM 0 HD13 ILE A 80 4.454 0.153 2.027 1.00 0.73 H new ATOM 1303 N GLY A 81 4.693 3.502 -2.275 1.00 0.67 N ATOM 1304 CA GLY A 81 4.105 3.597 -3.605 1.00 0.63 C ATOM 1305 C GLY A 81 5.145 4.022 -4.631 1.00 0.61 C ATOM 1306 O GLY A 81 5.396 3.309 -5.605 1.00 0.68 O ATOM 0 H GLY A 81 4.194 4.048 -1.572 1.00 0.67 H new ATOM 0 HA2 GLY A 81 3.681 2.634 -3.889 1.00 0.63 H new ATOM 0 HA3 GLY A 81 3.285 4.315 -3.594 1.00 0.63 H new ATOM 1310 N GLU A 82 5.786 5.162 -4.385 1.00 0.61 N ATOM 1311 CA GLU A 82 6.940 5.587 -5.152 1.00 0.63 C ATOM 1312 C GLU A 82 7.954 4.434 -5.241 1.00 0.57 C ATOM 1313 O GLU A 82 8.360 4.056 -6.339 1.00 0.59 O ATOM 1314 CB GLU A 82 7.525 6.870 -4.543 1.00 0.69 C ATOM 1315 CG GLU A 82 6.781 8.145 -4.973 1.00 1.13 C ATOM 1316 CD GLU A 82 5.446 8.343 -4.263 1.00 1.63 C ATOM 1317 OE1 GLU A 82 5.483 8.896 -3.141 1.00 2.45 O ATOM 1318 OE2 GLU A 82 4.419 7.963 -4.866 1.00 3.06 O ATOM 0 H GLU A 82 5.515 5.812 -3.647 1.00 0.61 H new ATOM 0 HA GLU A 82 6.653 5.832 -6.175 1.00 0.63 H new ATOM 0 HB2 GLU A 82 7.499 6.792 -3.456 1.00 0.69 H new ATOM 0 HB3 GLU A 82 8.573 6.955 -4.831 1.00 0.69 H new ATOM 0 HG2 GLU A 82 7.417 9.009 -4.780 1.00 1.13 H new ATOM 0 HG3 GLU A 82 6.609 8.110 -6.049 1.00 1.13 H new ATOM 1325 N LEU A 83 8.312 3.802 -4.117 1.00 0.57 N ATOM 1326 CA LEU A 83 9.246 2.680 -4.142 1.00 0.59 C ATOM 1327 C LEU A 83 8.777 1.518 -5.039 1.00 0.56 C ATOM 1328 O LEU A 83 9.578 0.910 -5.753 1.00 0.64 O ATOM 1329 CB LEU A 83 9.583 2.241 -2.717 1.00 0.79 C ATOM 1330 CG LEU A 83 10.744 1.239 -2.699 1.00 1.22 C ATOM 1331 CD1 LEU A 83 11.740 1.597 -1.592 1.00 2.23 C ATOM 1332 CD2 LEU A 83 10.173 -0.162 -2.476 1.00 2.48 C ATOM 0 H LEU A 83 7.970 4.049 -3.188 1.00 0.57 H new ATOM 0 HA LEU A 83 10.167 3.027 -4.610 1.00 0.59 H new ATOM 0 HB2 LEU A 83 9.844 3.114 -2.118 1.00 0.79 H new ATOM 0 HB3 LEU A 83 8.704 1.790 -2.256 1.00 0.79 H new ATOM 0 HG LEU A 83 11.277 1.271 -3.650 1.00 1.22 H new ATOM 0 HD11 LEU A 83 12.558 0.877 -1.592 1.00 2.23 H new ATOM 0 HD12 LEU A 83 12.137 2.597 -1.769 1.00 2.23 H new ATOM 0 HD13 LEU A 83 11.235 1.573 -0.626 1.00 2.23 H new ATOM 0 HD21 LEU A 83 10.986 -0.888 -2.460 1.00 2.48 H new ATOM 0 HD22 LEU A 83 9.642 -0.191 -1.525 1.00 2.48 H new ATOM 0 HD23 LEU A 83 9.483 -0.407 -3.284 1.00 2.48 H new ATOM 1344 N ALA A 84 7.478 1.200 -5.032 1.00 0.58 N ATOM 1345 CA ALA A 84 6.888 0.176 -5.873 1.00 0.68 C ATOM 1346 C ALA A 84 7.206 0.437 -7.345 1.00 0.74 C ATOM 1347 O ALA A 84 7.429 -0.517 -8.093 1.00 0.95 O ATOM 1348 CB ALA A 84 5.375 0.099 -5.647 1.00 0.72 C ATOM 0 H ALA A 84 6.801 1.662 -4.425 1.00 0.58 H new ATOM 0 HA ALA A 84 7.322 -0.786 -5.599 1.00 0.68 H new ATOM 0 HB1 ALA A 84 4.950 -0.675 -6.287 1.00 0.72 H new ATOM 0 HB2 ALA A 84 5.175 -0.143 -4.603 1.00 0.72 H new ATOM 0 HB3 ALA A 84 4.921 1.060 -5.890 1.00 0.72 H new ATOM 1354 N LYS A 85 7.224 1.718 -7.727 1.00 0.72 N ATOM 1355 CA LYS A 85 7.509 2.218 -9.063 1.00 0.85 C ATOM 1356 C LYS A 85 9.022 2.262 -9.340 1.00 0.84 C ATOM 1357 O LYS A 85 9.445 1.878 -10.430 1.00 1.03 O ATOM 1358 CB LYS A 85 6.791 3.574 -9.187 1.00 0.97 C ATOM 1359 CG LYS A 85 7.035 4.385 -10.464 1.00 1.46 C ATOM 1360 CD LYS A 85 8.299 5.253 -10.356 1.00 2.29 C ATOM 1361 CE LYS A 85 8.288 6.358 -11.421 1.00 2.81 C ATOM 1362 NZ LYS A 85 9.453 7.258 -11.280 1.00 3.58 N ATOM 0 H LYS A 85 7.028 2.472 -7.069 1.00 0.72 H new ATOM 0 HA LYS A 85 7.131 1.551 -9.838 1.00 0.85 H new ATOM 0 HB2 LYS A 85 5.719 3.397 -9.100 1.00 0.97 H new ATOM 0 HB3 LYS A 85 7.083 4.189 -8.336 1.00 0.97 H new ATOM 0 HG2 LYS A 85 7.131 3.707 -11.312 1.00 1.46 H new ATOM 0 HG3 LYS A 85 6.172 5.022 -10.661 1.00 1.46 H new ATOM 0 HD2 LYS A 85 8.357 5.698 -9.363 1.00 2.29 H new ATOM 0 HD3 LYS A 85 9.186 4.631 -10.479 1.00 2.29 H new ATOM 0 HE2 LYS A 85 8.293 5.908 -12.414 1.00 2.81 H new ATOM 0 HE3 LYS A 85 7.368 6.936 -11.337 1.00 2.81 H new ATOM 0 HZ1 LYS A 85 9.263 8.152 -11.777 1.00 3.58 H new ATOM 0 HZ2 LYS A 85 9.622 7.451 -10.272 1.00 3.58 H new ATOM 0 HZ3 LYS A 85 10.294 6.805 -11.692 1.00 3.58 H new ATOM 1376 N GLU A 86 9.827 2.744 -8.384 1.00 0.68 N ATOM 1377 CA GLU A 86 11.293 2.818 -8.439 1.00 0.67 C ATOM 1378 C GLU A 86 11.898 1.496 -8.935 1.00 0.77 C ATOM 1379 O GLU A 86 12.412 1.444 -10.056 1.00 0.87 O ATOM 1380 CB GLU A 86 11.798 3.229 -7.048 1.00 0.65 C ATOM 1381 CG GLU A 86 11.501 4.720 -6.851 1.00 0.78 C ATOM 1382 CD GLU A 86 11.532 5.191 -5.409 1.00 1.12 C ATOM 1383 OE1 GLU A 86 12.232 4.599 -4.560 1.00 2.11 O ATOM 1384 OE2 GLU A 86 10.826 6.180 -5.117 1.00 1.81 O ATOM 0 H GLU A 86 9.455 3.111 -7.508 1.00 0.68 H new ATOM 0 HA GLU A 86 11.614 3.568 -9.162 1.00 0.67 H new ATOM 0 HB2 GLU A 86 11.306 2.638 -6.275 1.00 0.65 H new ATOM 0 HB3 GLU A 86 12.868 3.040 -6.961 1.00 0.65 H new ATOM 0 HG2 GLU A 86 12.226 5.299 -7.423 1.00 0.78 H new ATOM 0 HG3 GLU A 86 10.518 4.938 -7.269 1.00 0.78 H new ATOM 1391 N ILE A 87 11.822 0.426 -8.139 1.00 0.79 N ATOM 1392 CA ILE A 87 12.314 -0.882 -8.554 1.00 0.91 C ATOM 1393 C ILE A 87 11.232 -1.541 -9.416 1.00 0.90 C ATOM 1394 O ILE A 87 10.182 -1.926 -8.901 1.00 0.85 O ATOM 1395 CB ILE A 87 12.768 -1.720 -7.332 1.00 0.98 C ATOM 1396 CG1 ILE A 87 13.818 -2.793 -7.678 1.00 1.45 C ATOM 1397 CG2 ILE A 87 11.643 -2.327 -6.487 1.00 1.18 C ATOM 1398 CD1 ILE A 87 13.421 -3.773 -8.785 1.00 1.33 C ATOM 0 H ILE A 87 11.422 0.445 -7.201 1.00 0.79 H new ATOM 0 HA ILE A 87 13.212 -0.794 -9.165 1.00 0.91 H new ATOM 0 HB ILE A 87 13.240 -0.966 -6.702 1.00 0.98 H new ATOM 0 HG12 ILE A 87 14.740 -2.292 -7.974 1.00 1.45 H new ATOM 0 HG13 ILE A 87 14.041 -3.362 -6.776 1.00 1.45 H new ATOM 0 HG21 ILE A 87 12.073 -2.892 -5.660 1.00 1.18 H new ATOM 0 HG22 ILE A 87 11.013 -1.529 -6.093 1.00 1.18 H new ATOM 0 HG23 ILE A 87 11.041 -2.992 -7.106 1.00 1.18 H new ATOM 0 HD11 ILE A 87 14.230 -4.485 -8.949 1.00 1.33 H new ATOM 0 HD12 ILE A 87 12.520 -4.310 -8.489 1.00 1.33 H new ATOM 0 HD13 ILE A 87 13.230 -3.223 -9.706 1.00 1.33 H new ATOM 1410 N ARG A 88 11.474 -1.673 -10.725 1.00 1.07 N ATOM 1411 CA ARG A 88 10.589 -2.411 -11.619 1.00 1.21 C ATOM 1412 C ARG A 88 10.912 -3.903 -11.508 1.00 1.20 C ATOM 1413 O ARG A 88 12.017 -4.334 -11.829 1.00 1.71 O ATOM 1414 CB ARG A 88 10.722 -1.916 -13.068 1.00 1.49 C ATOM 1415 CG ARG A 88 9.668 -2.600 -13.960 1.00 2.70 C ATOM 1416 CD ARG A 88 9.835 -2.272 -15.449 1.00 3.14 C ATOM 1417 NE ARG A 88 9.523 -0.865 -15.749 1.00 2.83 N ATOM 1418 CZ ARG A 88 9.481 -0.346 -16.988 1.00 3.28 C ATOM 1419 NH1 ARG A 88 9.772 -1.117 -18.042 1.00 3.91 N ATOM 1420 NH2 ARG A 88 9.148 0.936 -17.169 1.00 3.84 N ATOM 0 H ARG A 88 12.288 -1.270 -11.189 1.00 1.07 H new ATOM 0 HA ARG A 88 9.553 -2.243 -11.324 1.00 1.21 H new ATOM 0 HB2 ARG A 88 10.594 -0.834 -13.104 1.00 1.49 H new ATOM 0 HB3 ARG A 88 11.722 -2.131 -13.444 1.00 1.49 H new ATOM 0 HG2 ARG A 88 9.730 -3.680 -13.823 1.00 2.70 H new ATOM 0 HG3 ARG A 88 8.673 -2.294 -13.636 1.00 2.70 H new ATOM 0 HD2 ARG A 88 10.859 -2.488 -15.754 1.00 3.14 H new ATOM 0 HD3 ARG A 88 9.184 -2.920 -16.037 1.00 3.14 H new ATOM 0 HE ARG A 88 9.326 -0.243 -14.965 1.00 2.83 H new ATOM 0 HH11 ARG A 88 10.025 -2.095 -17.904 1.00 3.91 H new ATOM 0 HH12 ARG A 88 9.741 -0.726 -18.984 1.00 3.91 H new ATOM 0 HH21 ARG A 88 8.925 1.523 -16.365 1.00 3.84 H new ATOM 0 HH22 ARG A 88 9.117 1.327 -18.111 1.00 3.84 H new ATOM 1434 N LYS A 89 9.933 -4.687 -11.060 1.00 1.11 N ATOM 1435 CA LYS A 89 10.008 -6.134 -10.937 1.00 1.13 C ATOM 1436 C LYS A 89 10.004 -6.702 -12.353 1.00 1.52 C ATOM 1437 O LYS A 89 9.093 -6.403 -13.123 1.00 2.10 O ATOM 1438 CB LYS A 89 8.806 -6.648 -10.120 1.00 1.51 C ATOM 1439 CG LYS A 89 8.769 -6.187 -8.649 1.00 1.02 C ATOM 1440 CD LYS A 89 8.610 -4.668 -8.487 1.00 1.62 C ATOM 1441 CE LYS A 89 8.336 -4.173 -7.066 1.00 1.80 C ATOM 1442 NZ LYS A 89 8.464 -2.699 -7.009 1.00 3.27 N ATOM 0 H LYS A 89 9.032 -4.313 -10.762 1.00 1.11 H new ATOM 0 HA LYS A 89 10.911 -6.448 -10.414 1.00 1.13 H new ATOM 0 HB2 LYS A 89 7.888 -6.323 -10.610 1.00 1.51 H new ATOM 0 HB3 LYS A 89 8.810 -7.738 -10.143 1.00 1.51 H new ATOM 0 HG2 LYS A 89 7.945 -6.687 -8.140 1.00 1.02 H new ATOM 0 HG3 LYS A 89 9.687 -6.503 -8.154 1.00 1.02 H new ATOM 0 HD2 LYS A 89 9.518 -4.186 -8.850 1.00 1.62 H new ATOM 0 HD3 LYS A 89 7.795 -4.337 -9.130 1.00 1.62 H new ATOM 0 HE2 LYS A 89 7.335 -4.471 -6.755 1.00 1.80 H new ATOM 0 HE3 LYS A 89 9.037 -4.634 -6.370 1.00 1.80 H new ATOM 0 HZ1 LYS A 89 8.682 -2.407 -6.035 1.00 3.27 H new ATOM 0 HZ2 LYS A 89 9.230 -2.392 -7.642 1.00 3.27 H new ATOM 0 HZ3 LYS A 89 7.570 -2.261 -7.310 1.00 3.27 H new ATOM 1456 N LYS A 90 11.018 -7.501 -12.707 1.00 1.86 N ATOM 1457 CA LYS A 90 11.051 -8.181 -13.996 1.00 2.40 C ATOM 1458 C LYS A 90 9.778 -9.021 -14.129 1.00 2.02 C ATOM 1459 O LYS A 90 9.033 -8.867 -15.093 1.00 2.74 O ATOM 1460 CB LYS A 90 12.336 -9.013 -14.119 1.00 3.20 C ATOM 1461 CG LYS A 90 12.467 -9.645 -15.514 1.00 4.01 C ATOM 1462 CD LYS A 90 13.741 -10.489 -15.673 1.00 5.20 C ATOM 1463 CE LYS A 90 15.021 -9.636 -15.658 1.00 6.09 C ATOM 1464 NZ LYS A 90 16.227 -10.433 -15.970 1.00 7.52 N ATOM 0 H LYS A 90 11.826 -7.689 -12.113 1.00 1.86 H new ATOM 0 HA LYS A 90 11.071 -7.466 -14.818 1.00 2.40 H new ATOM 0 HB2 LYS A 90 13.201 -8.379 -13.923 1.00 3.20 H new ATOM 0 HB3 LYS A 90 12.337 -9.797 -13.362 1.00 3.20 H new ATOM 0 HG2 LYS A 90 11.596 -10.272 -15.706 1.00 4.01 H new ATOM 0 HG3 LYS A 90 12.464 -8.856 -16.266 1.00 4.01 H new ATOM 0 HD2 LYS A 90 13.789 -11.223 -14.869 1.00 5.20 H new ATOM 0 HD3 LYS A 90 13.690 -11.045 -16.609 1.00 5.20 H new ATOM 0 HE2 LYS A 90 14.925 -8.827 -16.382 1.00 6.09 H new ATOM 0 HE3 LYS A 90 15.136 -9.174 -14.677 1.00 6.09 H new ATOM 0 HZ1 LYS A 90 17.065 -9.817 -15.949 1.00 7.52 H new ATOM 0 HZ2 LYS A 90 16.335 -11.190 -15.265 1.00 7.52 H new ATOM 0 HZ3 LYS A 90 16.130 -10.853 -16.916 1.00 7.52 H new ATOM 1478 N LYS A 91 9.527 -9.864 -13.123 1.00 1.66 N ATOM 1479 CA LYS A 91 8.211 -10.422 -12.842 1.00 1.94 C ATOM 1480 C LYS A 91 8.239 -11.044 -11.440 1.00 2.03 C ATOM 1481 O LYS A 91 7.523 -10.608 -10.540 1.00 2.64 O ATOM 1482 CB LYS A 91 7.805 -11.458 -13.912 1.00 2.58 C ATOM 1483 CG LYS A 91 6.300 -11.758 -13.896 1.00 3.63 C ATOM 1484 CD LYS A 91 5.947 -13.253 -13.954 1.00 4.65 C ATOM 1485 CE LYS A 91 6.577 -14.030 -15.125 1.00 4.53 C ATOM 1486 NZ LYS A 91 7.714 -14.871 -14.690 1.00 4.97 N ATOM 0 H LYS A 91 10.247 -10.180 -12.474 1.00 1.66 H new ATOM 0 HA LYS A 91 7.461 -9.632 -12.874 1.00 1.94 H new ATOM 0 HB2 LYS A 91 8.088 -11.088 -14.897 1.00 2.58 H new ATOM 0 HB3 LYS A 91 8.359 -12.382 -13.747 1.00 2.58 H new ATOM 0 HG2 LYS A 91 5.867 -11.330 -12.992 1.00 3.63 H new ATOM 0 HG3 LYS A 91 5.833 -11.254 -14.742 1.00 3.63 H new ATOM 0 HD2 LYS A 91 6.258 -13.720 -13.020 1.00 4.65 H new ATOM 0 HD3 LYS A 91 4.863 -13.352 -14.014 1.00 4.65 H new ATOM 0 HE2 LYS A 91 5.819 -14.660 -15.591 1.00 4.53 H new ATOM 0 HE3 LYS A 91 6.917 -13.326 -15.885 1.00 4.53 H new ATOM 0 HZ1 LYS A 91 7.998 -15.500 -15.468 1.00 4.97 H new ATOM 0 HZ2 LYS A 91 8.515 -14.262 -14.427 1.00 4.97 H new ATOM 0 HZ3 LYS A 91 7.429 -15.442 -13.869 1.00 4.97 H new ATOM 1500 N ASP A 92 9.093 -12.050 -11.242 1.00 1.91 N ATOM 1501 CA ASP A 92 8.924 -13.022 -10.163 1.00 2.28 C ATOM 1502 C ASP A 92 9.730 -12.587 -8.941 1.00 1.84 C ATOM 1503 O ASP A 92 10.572 -13.330 -8.458 1.00 2.38 O ATOM 1504 CB ASP A 92 9.400 -14.409 -10.642 1.00 2.95 C ATOM 1505 CG ASP A 92 8.931 -14.764 -12.041 1.00 3.86 C ATOM 1506 OD1 ASP A 92 9.564 -14.279 -13.006 1.00 4.17 O ATOM 1507 OD2 ASP A 92 7.903 -15.458 -12.194 1.00 5.08 O ATOM 0 H ASP A 92 9.916 -12.212 -11.822 1.00 1.91 H new ATOM 0 HA ASP A 92 7.871 -13.078 -9.888 1.00 2.28 H new ATOM 0 HB2 ASP A 92 10.489 -14.439 -10.615 1.00 2.95 H new ATOM 0 HB3 ASP A 92 9.043 -15.167 -9.945 1.00 2.95 H new ATOM 1512 N LEU A 93 9.484 -11.386 -8.421 1.00 1.35 N ATOM 1513 CA LEU A 93 10.412 -10.761 -7.480 1.00 1.01 C ATOM 1514 C LEU A 93 10.814 -11.628 -6.275 1.00 0.99 C ATOM 1515 O LEU A 93 12.009 -11.782 -6.024 1.00 1.08 O ATOM 1516 CB LEU A 93 9.972 -9.333 -7.129 1.00 1.52 C ATOM 1517 CG LEU A 93 8.627 -9.168 -6.394 1.00 1.30 C ATOM 1518 CD1 LEU A 93 8.549 -7.780 -5.736 1.00 2.53 C ATOM 1519 CD2 LEU A 93 7.412 -9.427 -7.302 1.00 2.33 C ATOM 0 H LEU A 93 8.656 -10.829 -8.633 1.00 1.35 H new ATOM 0 HA LEU A 93 11.361 -10.673 -8.010 1.00 1.01 H new ATOM 0 HB2 LEU A 93 10.750 -8.882 -6.513 1.00 1.52 H new ATOM 0 HB3 LEU A 93 9.924 -8.758 -8.054 1.00 1.52 H new ATOM 0 HG LEU A 93 8.588 -9.931 -5.617 1.00 1.30 H new ATOM 0 HD11 LEU A 93 7.595 -7.675 -5.220 1.00 2.53 H new ATOM 0 HD12 LEU A 93 9.363 -7.671 -5.019 1.00 2.53 H new ATOM 0 HD13 LEU A 93 8.634 -7.009 -6.502 1.00 2.53 H new ATOM 0 HD21 LEU A 93 6.495 -9.296 -6.728 1.00 2.33 H new ATOM 0 HD22 LEU A 93 7.423 -8.723 -8.134 1.00 2.33 H new ATOM 0 HD23 LEU A 93 7.456 -10.446 -7.687 1.00 2.33 H new ATOM 1531 N LYS A 94 9.855 -12.266 -5.591 1.00 1.21 N ATOM 1532 CA LYS A 94 10.156 -13.141 -4.455 1.00 1.35 C ATOM 1533 C LYS A 94 11.150 -14.270 -4.787 1.00 1.46 C ATOM 1534 O LYS A 94 11.698 -14.892 -3.877 1.00 1.67 O ATOM 1535 CB LYS A 94 8.882 -13.727 -3.822 1.00 1.65 C ATOM 1536 CG LYS A 94 8.073 -12.688 -3.033 1.00 1.98 C ATOM 1537 CD LYS A 94 7.127 -13.331 -1.998 1.00 2.22 C ATOM 1538 CE LYS A 94 6.082 -14.311 -2.565 1.00 2.31 C ATOM 1539 NZ LYS A 94 4.988 -13.638 -3.297 1.00 2.84 N ATOM 0 H LYS A 94 8.861 -12.191 -5.807 1.00 1.21 H new ATOM 0 HA LYS A 94 10.644 -12.492 -3.727 1.00 1.35 H new ATOM 0 HB2 LYS A 94 8.254 -14.149 -4.607 1.00 1.65 H new ATOM 0 HB3 LYS A 94 9.157 -14.547 -3.158 1.00 1.65 H new ATOM 0 HG2 LYS A 94 8.758 -12.012 -2.522 1.00 1.98 H new ATOM 0 HG3 LYS A 94 7.489 -12.085 -3.728 1.00 1.98 H new ATOM 0 HD2 LYS A 94 7.731 -13.860 -1.260 1.00 2.22 H new ATOM 0 HD3 LYS A 94 6.602 -12.535 -1.469 1.00 2.22 H new ATOM 0 HE2 LYS A 94 6.578 -15.014 -3.233 1.00 2.31 H new ATOM 0 HE3 LYS A 94 5.658 -14.893 -1.747 1.00 2.31 H new ATOM 0 HZ1 LYS A 94 4.375 -14.353 -3.739 1.00 2.84 H new ATOM 0 HZ2 LYS A 94 4.429 -13.064 -2.634 1.00 2.84 H new ATOM 0 HZ3 LYS A 94 5.390 -13.023 -4.033 1.00 2.84 H new ATOM 1553 N ILE A 95 11.349 -14.602 -6.070 1.00 1.45 N ATOM 1554 CA ILE A 95 12.377 -15.539 -6.494 1.00 1.69 C ATOM 1555 C ILE A 95 13.770 -15.151 -5.989 1.00 1.79 C ATOM 1556 O ILE A 95 14.667 -15.992 -6.046 1.00 2.00 O ATOM 1557 CB ILE A 95 12.341 -15.724 -8.021 1.00 1.68 C ATOM 1558 CG1 ILE A 95 12.799 -17.135 -8.412 1.00 2.03 C ATOM 1559 CG2 ILE A 95 13.173 -14.652 -8.747 1.00 1.93 C ATOM 1560 CD1 ILE A 95 12.538 -17.379 -9.898 1.00 2.16 C ATOM 0 H ILE A 95 10.796 -14.223 -6.838 1.00 1.45 H new ATOM 0 HA ILE A 95 12.155 -16.502 -6.034 1.00 1.69 H new ATOM 0 HB ILE A 95 11.306 -15.600 -8.340 1.00 1.68 H new ATOM 0 HG12 ILE A 95 13.861 -17.254 -8.197 1.00 2.03 H new ATOM 0 HG13 ILE A 95 12.268 -17.877 -7.815 1.00 2.03 H new ATOM 0 HG21 ILE A 95 13.121 -14.818 -9.823 1.00 1.93 H new ATOM 0 HG22 ILE A 95 12.777 -13.664 -8.513 1.00 1.93 H new ATOM 0 HG23 ILE A 95 14.211 -14.714 -8.420 1.00 1.93 H new ATOM 0 HD11 ILE A 95 12.867 -18.383 -10.165 1.00 2.16 H new ATOM 0 HD12 ILE A 95 11.472 -17.280 -10.101 1.00 2.16 H new ATOM 0 HD13 ILE A 95 13.089 -16.648 -10.489 1.00 2.16 H new ATOM 1572 N ARG A 96 13.996 -13.891 -5.577 1.00 1.67 N ATOM 1573 CA ARG A 96 15.211 -13.446 -4.892 1.00 1.82 C ATOM 1574 C ARG A 96 16.306 -13.133 -5.913 1.00 1.98 C ATOM 1575 O ARG A 96 16.877 -12.045 -5.917 1.00 2.35 O ATOM 1576 CB ARG A 96 15.646 -14.484 -3.855 1.00 2.06 C ATOM 1577 CG ARG A 96 16.660 -13.958 -2.834 1.00 2.15 C ATOM 1578 CD ARG A 96 17.199 -15.113 -1.970 1.00 3.58 C ATOM 1579 NE ARG A 96 16.118 -15.957 -1.418 1.00 5.30 N ATOM 1580 CZ ARG A 96 16.296 -17.034 -0.634 1.00 7.14 C ATOM 1581 NH1 ARG A 96 17.539 -17.399 -0.310 1.00 7.56 N ATOM 1582 NH2 ARG A 96 15.244 -17.731 -0.172 1.00 8.98 N ATOM 0 H ARG A 96 13.320 -13.140 -5.717 1.00 1.67 H new ATOM 0 HA ARG A 96 15.009 -12.523 -4.349 1.00 1.82 H new ATOM 0 HB2 ARG A 96 14.765 -14.844 -3.324 1.00 2.06 H new ATOM 0 HB3 ARG A 96 16.078 -15.341 -4.373 1.00 2.06 H new ATOM 0 HG2 ARG A 96 17.484 -13.466 -3.351 1.00 2.15 H new ATOM 0 HG3 ARG A 96 16.190 -13.208 -2.198 1.00 2.15 H new ATOM 0 HD2 ARG A 96 17.868 -15.730 -2.570 1.00 3.58 H new ATOM 0 HD3 ARG A 96 17.791 -14.705 -1.151 1.00 3.58 H new ATOM 0 HE ARG A 96 15.159 -15.701 -1.651 1.00 5.30 H new ATOM 0 HH11 ARG A 96 18.335 -16.863 -0.657 1.00 7.56 H new ATOM 0 HH12 ARG A 96 17.693 -18.214 0.284 1.00 7.56 H new ATOM 0 HH21 ARG A 96 14.296 -17.445 -0.416 1.00 8.98 H new ATOM 0 HH22 ARG A 96 15.394 -18.546 0.422 1.00 8.98 H new ATOM 1681 N GLU B 4 12.190 -15.254 1.143 1.00 2.49 N ATOM 1682 CA GLU B 4 13.493 -14.719 0.793 1.00 2.20 C ATOM 1683 C GLU B 4 13.848 -13.796 1.965 1.00 2.21 C ATOM 1684 O GLU B 4 13.021 -13.684 2.874 1.00 2.82 O ATOM 1685 CB GLU B 4 13.459 -14.097 -0.606 1.00 2.10 C ATOM 1686 CG GLU B 4 12.800 -12.730 -0.730 1.00 2.24 C ATOM 1687 CD GLU B 4 13.418 -11.970 -1.892 1.00 2.53 C ATOM 1688 OE1 GLU B 4 14.500 -11.391 -1.666 1.00 3.30 O ATOM 1689 OE2 GLU B 4 12.847 -12.035 -2.995 1.00 3.00 O ATOM 0 HA GLU B 4 14.288 -15.457 0.687 1.00 2.20 H new ATOM 0 HB2 GLU B 4 14.484 -14.015 -0.967 1.00 2.10 H new ATOM 0 HB3 GLU B 4 12.941 -14.786 -1.273 1.00 2.10 H new ATOM 0 HG2 GLU B 4 11.727 -12.845 -0.887 1.00 2.24 H new ATOM 0 HG3 GLU B 4 12.929 -12.168 0.195 1.00 2.24 H new ATOM 1696 N PRO B 5 15.022 -13.153 2.033 1.00 2.00 N ATOM 1697 CA PRO B 5 15.355 -12.306 3.170 1.00 2.16 C ATOM 1698 C PRO B 5 14.630 -10.948 3.085 1.00 1.93 C ATOM 1699 O PRO B 5 15.233 -9.909 3.340 1.00 2.05 O ATOM 1700 CB PRO B 5 16.884 -12.211 3.134 1.00 2.62 C ATOM 1701 CG PRO B 5 17.222 -12.309 1.646 1.00 2.41 C ATOM 1702 CD PRO B 5 16.095 -13.160 1.054 1.00 2.03 C ATOM 0 HA PRO B 5 15.022 -12.708 4.127 1.00 2.16 H new ATOM 0 HB2 PRO B 5 17.236 -11.273 3.563 1.00 2.62 H new ATOM 0 HB3 PRO B 5 17.348 -13.016 3.703 1.00 2.62 H new ATOM 0 HG2 PRO B 5 17.261 -11.324 1.182 1.00 2.41 H new ATOM 0 HG3 PRO B 5 18.195 -12.774 1.489 1.00 2.41 H new ATOM 0 HD2 PRO B 5 15.756 -12.749 0.103 1.00 2.03 H new ATOM 0 HD3 PRO B 5 16.437 -14.176 0.859 1.00 2.03 H new ATOM 1710 N LEU B 6 13.337 -10.965 2.737 1.00 1.79 N ATOM 1711 CA LEU B 6 12.441 -9.820 2.682 1.00 1.75 C ATOM 1712 C LEU B 6 11.661 -9.687 3.989 1.00 1.64 C ATOM 1713 O LEU B 6 11.864 -10.456 4.930 1.00 2.06 O ATOM 1714 CB LEU B 6 11.549 -9.873 1.434 1.00 1.73 C ATOM 1715 CG LEU B 6 10.245 -10.691 1.504 1.00 1.69 C ATOM 1716 CD1 LEU B 6 9.648 -10.753 0.092 1.00 1.95 C ATOM 1717 CD2 LEU B 6 10.399 -12.118 2.038 1.00 2.92 C ATOM 0 H LEU B 6 12.869 -11.832 2.472 1.00 1.79 H new ATOM 0 HA LEU B 6 13.031 -8.909 2.583 1.00 1.75 H new ATOM 0 HB2 LEU B 6 11.286 -8.849 1.170 1.00 1.73 H new ATOM 0 HB3 LEU B 6 12.147 -10.270 0.614 1.00 1.73 H new ATOM 0 HG LEU B 6 9.599 -10.180 2.218 1.00 1.69 H new ATOM 0 HD11 LEU B 6 8.722 -11.328 0.113 1.00 1.95 H new ATOM 0 HD12 LEU B 6 9.440 -9.743 -0.260 1.00 1.95 H new ATOM 0 HD13 LEU B 6 10.357 -11.233 -0.582 1.00 1.95 H new ATOM 0 HD21 LEU B 6 9.426 -12.610 2.048 1.00 2.92 H new ATOM 0 HD22 LEU B 6 11.081 -12.675 1.396 1.00 2.92 H new ATOM 0 HD23 LEU B 6 10.800 -12.086 3.051 1.00 2.92 H new ATOM 1729 N THR B 7 10.802 -8.676 4.107 1.00 1.35 N ATOM 1730 CA THR B 7 9.964 -8.508 5.285 1.00 1.28 C ATOM 1731 C THR B 7 8.614 -7.931 4.870 1.00 1.20 C ATOM 1732 O THR B 7 8.501 -7.314 3.814 1.00 1.36 O ATOM 1733 CB THR B 7 10.691 -7.600 6.281 1.00 1.41 C ATOM 1734 OG1 THR B 7 11.998 -8.076 6.531 1.00 1.78 O ATOM 1735 CG2 THR B 7 9.973 -7.437 7.623 1.00 1.45 C ATOM 0 H THR B 7 10.670 -7.958 3.394 1.00 1.35 H new ATOM 0 HA THR B 7 9.778 -9.467 5.768 1.00 1.28 H new ATOM 0 HB THR B 7 10.714 -6.621 5.802 1.00 1.41 H new ATOM 0 HG1 THR B 7 12.556 -7.341 6.860 1.00 1.78 H new ATOM 0 HG21 THR B 7 10.554 -6.779 8.269 1.00 1.45 H new ATOM 0 HG22 THR B 7 8.987 -7.004 7.458 1.00 1.45 H new ATOM 0 HG23 THR B 7 9.866 -8.412 8.099 1.00 1.45 H new ATOM 1743 N GLU B 8 7.608 -8.125 5.725 1.00 1.15 N ATOM 1744 CA GLU B 8 6.222 -7.709 5.552 1.00 1.23 C ATOM 1745 C GLU B 8 6.068 -6.327 4.923 1.00 1.24 C ATOM 1746 O GLU B 8 5.239 -6.136 4.035 1.00 1.39 O ATOM 1747 CB GLU B 8 5.546 -7.769 6.914 1.00 1.32 C ATOM 1748 CG GLU B 8 5.436 -9.218 7.401 1.00 1.67 C ATOM 1749 CD GLU B 8 5.901 -9.377 8.834 1.00 2.19 C ATOM 1750 OE1 GLU B 8 5.471 -8.550 9.670 1.00 3.31 O ATOM 1751 OE2 GLU B 8 6.715 -10.310 9.032 1.00 2.59 O ATOM 0 H GLU B 8 7.753 -8.608 6.612 1.00 1.15 H new ATOM 0 HA GLU B 8 5.746 -8.390 4.846 1.00 1.23 H new ATOM 0 HB2 GLU B 8 6.115 -7.180 7.634 1.00 1.32 H new ATOM 0 HB3 GLU B 8 4.553 -7.324 6.852 1.00 1.32 H new ATOM 0 HG2 GLU B 8 4.401 -9.550 7.318 1.00 1.67 H new ATOM 0 HG3 GLU B 8 6.031 -9.863 6.754 1.00 1.67 H new ATOM 1758 N LEU B 9 6.867 -5.354 5.379 1.00 1.24 N ATOM 1759 CA LEU B 9 6.783 -4.001 4.855 1.00 1.43 C ATOM 1760 C LEU B 9 6.922 -4.044 3.337 1.00 1.61 C ATOM 1761 O LEU B 9 6.154 -3.387 2.634 1.00 1.94 O ATOM 1762 CB LEU B 9 7.855 -3.085 5.468 1.00 1.47 C ATOM 1763 CG LEU B 9 7.644 -2.659 6.934 1.00 1.47 C ATOM 1764 CD1 LEU B 9 6.236 -2.103 7.191 1.00 2.19 C ATOM 1765 CD2 LEU B 9 7.996 -3.750 7.951 1.00 1.96 C ATOM 0 H LEU B 9 7.572 -5.485 6.105 1.00 1.24 H new ATOM 0 HA LEU B 9 5.813 -3.584 5.126 1.00 1.43 H new ATOM 0 HB2 LEU B 9 8.817 -3.592 5.396 1.00 1.47 H new ATOM 0 HB3 LEU B 9 7.922 -2.184 4.858 1.00 1.47 H new ATOM 0 HG LEU B 9 8.356 -1.849 7.090 1.00 1.47 H new ATOM 0 HD11 LEU B 9 6.143 -1.819 8.239 1.00 2.19 H new ATOM 0 HD12 LEU B 9 6.070 -1.229 6.562 1.00 2.19 H new ATOM 0 HD13 LEU B 9 5.495 -2.866 6.955 1.00 2.19 H new ATOM 0 HD21 LEU B 9 7.822 -3.377 8.960 1.00 1.96 H new ATOM 0 HD22 LEU B 9 7.372 -4.626 7.776 1.00 1.96 H new ATOM 0 HD23 LEU B 9 9.045 -4.024 7.842 1.00 1.96 H new ATOM 1777 N GLU B 10 7.896 -4.815 2.838 1.00 1.49 N ATOM 1778 CA GLU B 10 8.065 -4.981 1.411 1.00 1.67 C ATOM 1779 C GLU B 10 7.133 -6.015 0.781 1.00 1.56 C ATOM 1780 O GLU B 10 6.521 -5.714 -0.238 1.00 1.70 O ATOM 1781 CB GLU B 10 9.526 -5.099 1.000 1.00 1.89 C ATOM 1782 CG GLU B 10 10.123 -6.509 0.979 1.00 1.98 C ATOM 1783 CD GLU B 10 10.282 -7.017 -0.450 1.00 2.14 C ATOM 1784 OE1 GLU B 10 9.234 -7.191 -1.105 1.00 2.50 O ATOM 1785 OE2 GLU B 10 11.451 -7.184 -0.860 1.00 3.29 O ATOM 0 H GLU B 10 8.570 -5.327 3.408 1.00 1.49 H new ATOM 0 HA GLU B 10 7.724 -4.046 0.966 1.00 1.67 H new ATOM 0 HB2 GLU B 10 9.635 -4.668 0.005 1.00 1.89 H new ATOM 0 HB3 GLU B 10 10.121 -4.488 1.679 1.00 1.89 H new ATOM 0 HG2 GLU B 10 11.093 -6.504 1.476 1.00 1.98 H new ATOM 0 HG3 GLU B 10 9.481 -7.188 1.540 1.00 1.98 H new ATOM 1792 N GLU B 11 6.947 -7.204 1.364 1.00 1.39 N ATOM 1793 CA GLU B 11 6.089 -8.190 0.702 1.00 1.50 C ATOM 1794 C GLU B 11 4.630 -7.725 0.560 1.00 1.25 C ATOM 1795 O GLU B 11 3.893 -8.206 -0.304 1.00 1.31 O ATOM 1796 CB GLU B 11 6.306 -9.640 1.159 1.00 1.70 C ATOM 1797 CG GLU B 11 6.201 -9.937 2.652 1.00 2.31 C ATOM 1798 CD GLU B 11 4.757 -10.116 3.098 1.00 2.94 C ATOM 1799 OE1 GLU B 11 4.052 -9.091 3.170 1.00 4.32 O ATOM 1800 OE2 GLU B 11 4.397 -11.283 3.362 1.00 3.19 O ATOM 0 H GLU B 11 7.357 -7.498 2.250 1.00 1.39 H new ATOM 0 HA GLU B 11 6.437 -8.239 -0.330 1.00 1.50 H new ATOM 0 HB2 GLU B 11 5.581 -10.267 0.641 1.00 1.70 H new ATOM 0 HB3 GLU B 11 7.295 -9.953 0.824 1.00 1.70 H new ATOM 0 HG2 GLU B 11 6.766 -10.840 2.883 1.00 2.31 H new ATOM 0 HG3 GLU B 11 6.656 -9.123 3.216 1.00 2.31 H new ATOM 1807 N SER B 12 4.221 -6.702 1.316 1.00 1.07 N ATOM 1808 CA SER B 12 2.909 -6.117 1.090 1.00 0.99 C ATOM 1809 C SER B 12 2.851 -5.547 -0.332 1.00 0.94 C ATOM 1810 O SER B 12 1.829 -5.634 -1.019 1.00 0.99 O ATOM 1811 CB SER B 12 2.647 -5.042 2.139 1.00 1.08 C ATOM 1812 OG SER B 12 2.642 -5.631 3.425 1.00 1.70 O ATOM 0 H SER B 12 4.765 -6.276 2.067 1.00 1.07 H new ATOM 0 HA SER B 12 2.131 -6.875 1.184 1.00 0.99 H new ATOM 0 HB2 SER B 12 3.414 -4.270 2.084 1.00 1.08 H new ATOM 0 HB3 SER B 12 1.691 -4.556 1.946 1.00 1.08 H new ATOM 0 HG SER B 12 3.556 -5.880 3.674 1.00 1.70 H new ATOM 1818 N ILE B 13 3.981 -4.986 -0.772 1.00 0.88 N ATOM 1819 CA ILE B 13 4.183 -4.407 -2.082 1.00 0.87 C ATOM 1820 C ILE B 13 4.109 -5.507 -3.128 1.00 0.85 C ATOM 1821 O ILE B 13 3.354 -5.377 -4.087 1.00 0.83 O ATOM 1822 CB ILE B 13 5.549 -3.690 -2.182 1.00 0.88 C ATOM 1823 CG1 ILE B 13 5.772 -2.731 -1.004 1.00 1.02 C ATOM 1824 CG2 ILE B 13 5.786 -2.945 -3.505 1.00 0.88 C ATOM 1825 CD1 ILE B 13 7.239 -2.358 -0.895 1.00 1.07 C ATOM 0 H ILE B 13 4.814 -4.926 -0.187 1.00 0.88 H new ATOM 0 HA ILE B 13 3.403 -3.666 -2.253 1.00 0.87 H new ATOM 0 HB ILE B 13 6.280 -4.498 -2.146 1.00 0.88 H new ATOM 0 HG12 ILE B 13 5.171 -1.832 -1.140 1.00 1.02 H new ATOM 0 HG13 ILE B 13 5.440 -3.199 -0.078 1.00 1.02 H new ATOM 0 HG21 ILE B 13 6.768 -2.473 -3.486 1.00 0.88 H new ATOM 0 HG22 ILE B 13 5.739 -3.651 -4.334 1.00 0.88 H new ATOM 0 HG23 ILE B 13 5.019 -2.182 -3.635 1.00 0.88 H new ATOM 0 HD11 ILE B 13 7.380 -1.678 -0.055 1.00 1.07 H new ATOM 0 HD12 ILE B 13 7.833 -3.258 -0.736 1.00 1.07 H new ATOM 0 HD13 ILE B 13 7.560 -1.870 -1.815 1.00 1.07 H new ATOM 1837 N GLU B 14 4.913 -6.564 -2.971 1.00 0.96 N ATOM 1838 CA GLU B 14 5.002 -7.619 -3.973 1.00 1.10 C ATOM 1839 C GLU B 14 3.611 -8.232 -4.210 1.00 1.08 C ATOM 1840 O GLU B 14 3.184 -8.464 -5.347 1.00 1.14 O ATOM 1841 CB GLU B 14 6.123 -8.612 -3.628 1.00 1.38 C ATOM 1842 CG GLU B 14 5.778 -9.717 -2.636 1.00 1.27 C ATOM 1843 CD GLU B 14 4.945 -10.823 -3.243 1.00 1.99 C ATOM 1844 OE1 GLU B 14 5.313 -11.311 -4.335 1.00 2.52 O ATOM 1845 OE2 GLU B 14 4.028 -11.322 -2.554 1.00 3.03 O ATOM 0 H GLU B 14 5.510 -6.707 -2.157 1.00 0.96 H new ATOM 0 HA GLU B 14 5.302 -7.210 -4.938 1.00 1.10 H new ATOM 0 HB2 GLU B 14 6.461 -9.079 -4.553 1.00 1.38 H new ATOM 0 HB3 GLU B 14 6.966 -8.048 -3.229 1.00 1.38 H new ATOM 0 HG2 GLU B 14 6.700 -10.141 -2.239 1.00 1.27 H new ATOM 0 HG3 GLU B 14 5.238 -9.285 -1.794 1.00 1.27 H new ATOM 1852 N THR B 15 2.877 -8.417 -3.113 1.00 1.05 N ATOM 1853 CA THR B 15 1.499 -8.870 -3.138 1.00 1.08 C ATOM 1854 C THR B 15 0.585 -7.829 -3.809 1.00 0.96 C ATOM 1855 O THR B 15 -0.234 -8.207 -4.644 1.00 0.95 O ATOM 1856 CB THR B 15 1.080 -9.296 -1.724 1.00 1.22 C ATOM 1857 OG1 THR B 15 1.753 -10.500 -1.392 1.00 1.39 O ATOM 1858 CG2 THR B 15 -0.423 -9.573 -1.618 1.00 1.20 C ATOM 0 H THR B 15 3.234 -8.252 -2.172 1.00 1.05 H new ATOM 0 HA THR B 15 1.395 -9.756 -3.764 1.00 1.08 H new ATOM 0 HB THR B 15 1.335 -8.477 -1.051 1.00 1.22 H new ATOM 0 HG1 THR B 15 2.548 -10.597 -1.957 1.00 1.39 H new ATOM 0 HG21 THR B 15 -0.667 -9.871 -0.598 1.00 1.20 H new ATOM 0 HG22 THR B 15 -0.978 -8.671 -1.876 1.00 1.20 H new ATOM 0 HG23 THR B 15 -0.695 -10.375 -2.305 1.00 1.20 H new ATOM 1866 N VAL B 16 0.707 -6.527 -3.521 1.00 0.89 N ATOM 1867 CA VAL B 16 -0.058 -5.520 -4.255 1.00 0.82 C ATOM 1868 C VAL B 16 0.216 -5.608 -5.762 1.00 0.82 C ATOM 1869 O VAL B 16 -0.720 -5.716 -6.554 1.00 0.82 O ATOM 1870 CB VAL B 16 0.219 -4.111 -3.701 1.00 0.76 C ATOM 1871 CG1 VAL B 16 -0.162 -3.026 -4.710 1.00 0.86 C ATOM 1872 CG2 VAL B 16 -0.590 -3.859 -2.426 1.00 0.79 C ATOM 0 H VAL B 16 1.319 -6.153 -2.796 1.00 0.89 H new ATOM 0 HA VAL B 16 -1.119 -5.724 -4.110 1.00 0.82 H new ATOM 0 HB VAL B 16 1.288 -4.065 -3.493 1.00 0.76 H new ATOM 0 HG11 VAL B 16 0.047 -2.044 -4.285 1.00 0.86 H new ATOM 0 HG12 VAL B 16 0.419 -3.158 -5.623 1.00 0.86 H new ATOM 0 HG13 VAL B 16 -1.224 -3.102 -4.942 1.00 0.86 H new ATOM 0 HG21 VAL B 16 -0.378 -2.857 -2.053 1.00 0.79 H new ATOM 0 HG22 VAL B 16 -1.654 -3.946 -2.647 1.00 0.79 H new ATOM 0 HG23 VAL B 16 -0.315 -4.594 -1.669 1.00 0.79 H new ATOM 1882 N VAL B 17 1.486 -5.534 -6.177 1.00 0.86 N ATOM 1883 CA VAL B 17 1.814 -5.493 -7.599 1.00 0.93 C ATOM 1884 C VAL B 17 1.321 -6.761 -8.301 1.00 0.92 C ATOM 1885 O VAL B 17 0.791 -6.686 -9.408 1.00 0.92 O ATOM 1886 CB VAL B 17 3.289 -5.163 -7.881 1.00 0.90 C ATOM 1887 CG1 VAL B 17 3.659 -3.787 -7.309 1.00 1.19 C ATOM 1888 CG2 VAL B 17 4.239 -6.225 -7.332 1.00 0.87 C ATOM 0 H VAL B 17 2.292 -5.502 -5.553 1.00 0.86 H new ATOM 0 HA VAL B 17 1.273 -4.652 -8.034 1.00 0.93 H new ATOM 0 HB VAL B 17 3.403 -5.147 -8.965 1.00 0.90 H new ATOM 0 HG11 VAL B 17 4.707 -3.575 -7.520 1.00 1.19 H new ATOM 0 HG12 VAL B 17 3.034 -3.022 -7.769 1.00 1.19 H new ATOM 0 HG13 VAL B 17 3.499 -3.786 -6.231 1.00 1.19 H new ATOM 0 HG21 VAL B 17 5.268 -5.944 -7.558 1.00 0.87 H new ATOM 0 HG22 VAL B 17 4.113 -6.303 -6.252 1.00 0.87 H new ATOM 0 HG23 VAL B 17 4.016 -7.187 -7.794 1.00 0.87 H new ATOM 1898 N THR B 18 1.445 -7.910 -7.630 1.00 0.97 N ATOM 1899 CA THR B 18 0.799 -9.146 -8.041 1.00 0.99 C ATOM 1900 C THR B 18 -0.699 -8.915 -8.257 1.00 1.00 C ATOM 1901 O THR B 18 -1.233 -9.191 -9.329 1.00 1.11 O ATOM 1902 CB THR B 18 1.048 -10.204 -6.955 1.00 1.12 C ATOM 1903 OG1 THR B 18 2.401 -10.605 -6.984 1.00 2.12 O ATOM 1904 CG2 THR B 18 0.094 -11.395 -7.045 1.00 1.26 C ATOM 0 H THR B 18 2.002 -8.002 -6.781 1.00 0.97 H new ATOM 0 HA THR B 18 1.214 -9.494 -8.987 1.00 0.99 H new ATOM 0 HB THR B 18 0.836 -9.744 -5.990 1.00 1.12 H new ATOM 0 HG1 THR B 18 2.941 -9.973 -6.465 1.00 2.12 H new ATOM 0 HG21 THR B 18 0.323 -12.105 -6.250 1.00 1.26 H new ATOM 0 HG22 THR B 18 -0.933 -11.047 -6.936 1.00 1.26 H new ATOM 0 HG23 THR B 18 0.211 -11.883 -8.013 1.00 1.26 H new ATOM 1912 N THR B 19 -1.376 -8.439 -7.215 1.00 0.93 N ATOM 1913 CA THR B 19 -2.826 -8.414 -7.114 1.00 0.93 C ATOM 1914 C THR B 19 -3.490 -7.620 -8.245 1.00 0.86 C ATOM 1915 O THR B 19 -4.614 -7.944 -8.622 1.00 0.98 O ATOM 1916 CB THR B 19 -3.200 -7.924 -5.711 1.00 1.03 C ATOM 1917 OG1 THR B 19 -2.850 -8.904 -4.758 1.00 1.19 O ATOM 1918 CG2 THR B 19 -4.678 -7.576 -5.522 1.00 1.15 C ATOM 0 H THR B 19 -0.913 -8.049 -6.394 1.00 0.93 H new ATOM 0 HA THR B 19 -3.219 -9.422 -7.247 1.00 0.93 H new ATOM 0 HB THR B 19 -2.642 -6.998 -5.574 1.00 1.03 H new ATOM 0 HG1 THR B 19 -1.883 -8.879 -4.603 1.00 1.19 H new ATOM 0 HG21 THR B 19 -4.845 -7.240 -4.499 1.00 1.15 H new ATOM 0 HG22 THR B 19 -4.956 -6.782 -6.215 1.00 1.15 H new ATOM 0 HG23 THR B 19 -5.287 -8.458 -5.718 1.00 1.15 H new ATOM 1926 N PHE B 20 -2.818 -6.630 -8.847 1.00 0.77 N ATOM 1927 CA PHE B 20 -3.343 -5.978 -10.052 1.00 0.78 C ATOM 1928 C PHE B 20 -3.732 -6.987 -11.143 1.00 0.94 C ATOM 1929 O PHE B 20 -4.654 -6.733 -11.914 1.00 1.16 O ATOM 1930 CB PHE B 20 -2.341 -4.977 -10.634 1.00 0.75 C ATOM 1931 CG PHE B 20 -2.048 -3.776 -9.758 1.00 0.73 C ATOM 1932 CD1 PHE B 20 -3.062 -2.850 -9.458 1.00 1.23 C ATOM 1933 CD2 PHE B 20 -0.729 -3.512 -9.355 1.00 1.90 C ATOM 1934 CE1 PHE B 20 -2.762 -1.701 -8.706 1.00 1.24 C ATOM 1935 CE2 PHE B 20 -0.457 -2.436 -8.495 1.00 2.13 C ATOM 1936 CZ PHE B 20 -1.477 -1.528 -8.166 1.00 1.22 C ATOM 0 H PHE B 20 -1.921 -6.267 -8.524 1.00 0.77 H new ATOM 0 HA PHE B 20 -4.241 -5.449 -9.734 1.00 0.78 H new ATOM 0 HB2 PHE B 20 -1.405 -5.498 -10.834 1.00 0.75 H new ATOM 0 HB3 PHE B 20 -2.720 -4.624 -11.593 1.00 0.75 H new ATOM 0 HD1 PHE B 20 -4.070 -3.021 -9.805 1.00 1.23 H new ATOM 0 HD2 PHE B 20 0.078 -4.138 -9.707 1.00 1.90 H new ATOM 0 HE1 PHE B 20 -3.521 -0.950 -8.543 1.00 1.24 H new ATOM 0 HE2 PHE B 20 0.535 -2.307 -8.087 1.00 2.13 H new ATOM 0 HZ PHE B 20 -1.274 -0.701 -7.501 1.00 1.22 H new ATOM 1946 N PHE B 21 -3.027 -8.121 -11.218 1.00 0.94 N ATOM 1947 CA PHE B 21 -3.362 -9.223 -12.109 1.00 1.23 C ATOM 1948 C PHE B 21 -4.814 -9.676 -11.916 1.00 1.44 C ATOM 1949 O PHE B 21 -5.491 -10.024 -12.882 1.00 1.56 O ATOM 1950 CB PHE B 21 -2.382 -10.381 -11.872 1.00 1.47 C ATOM 1951 CG PHE B 21 -2.395 -11.441 -12.956 1.00 2.23 C ATOM 1952 CD1 PHE B 21 -3.278 -12.533 -12.870 1.00 3.47 C ATOM 1953 CD2 PHE B 21 -1.522 -11.333 -14.055 1.00 2.67 C ATOM 1954 CE1 PHE B 21 -3.283 -13.516 -13.875 1.00 4.41 C ATOM 1955 CE2 PHE B 21 -1.524 -12.319 -15.057 1.00 3.55 C ATOM 1956 CZ PHE B 21 -2.404 -13.412 -14.966 1.00 4.23 C ATOM 0 H PHE B 21 -2.197 -8.296 -10.651 1.00 0.94 H new ATOM 0 HA PHE B 21 -3.271 -8.884 -13.141 1.00 1.23 H new ATOM 0 HB2 PHE B 21 -1.373 -9.976 -11.788 1.00 1.47 H new ATOM 0 HB3 PHE B 21 -2.618 -10.851 -10.917 1.00 1.47 H new ATOM 0 HD1 PHE B 21 -3.953 -12.616 -12.031 1.00 3.47 H new ATOM 0 HD2 PHE B 21 -0.849 -10.491 -14.129 1.00 2.67 H new ATOM 0 HE1 PHE B 21 -3.963 -14.352 -13.808 1.00 4.41 H new ATOM 0 HE2 PHE B 21 -0.850 -12.237 -15.897 1.00 3.55 H new ATOM 0 HZ PHE B 21 -2.404 -14.171 -15.734 1.00 4.23 H new ATOM 1966 N THR B 22 -5.322 -9.643 -10.682 1.00 1.74 N ATOM 1967 CA THR B 22 -6.666 -10.093 -10.358 1.00 2.19 C ATOM 1968 C THR B 22 -7.661 -8.966 -10.665 1.00 2.30 C ATOM 1969 O THR B 22 -8.374 -8.490 -9.784 1.00 2.85 O ATOM 1970 CB THR B 22 -6.714 -10.539 -8.882 1.00 2.91 C ATOM 1971 OG1 THR B 22 -5.537 -11.246 -8.535 1.00 3.08 O ATOM 1972 CG2 THR B 22 -7.915 -11.461 -8.643 1.00 3.49 C ATOM 0 H THR B 22 -4.802 -9.298 -9.875 1.00 1.74 H new ATOM 0 HA THR B 22 -6.945 -10.953 -10.966 1.00 2.19 H new ATOM 0 HB THR B 22 -6.801 -9.643 -8.268 1.00 2.91 H new ATOM 0 HG1 THR B 22 -5.469 -11.309 -7.559 1.00 3.08 H new ATOM 0 HG21 THR B 22 -7.936 -11.768 -7.597 1.00 3.49 H new ATOM 0 HG22 THR B 22 -8.836 -10.929 -8.884 1.00 3.49 H new ATOM 0 HG23 THR B 22 -7.829 -12.343 -9.278 1.00 3.49 H new ATOM 2097 N LYS B 30 -3.238 -3.953 -18.107 1.00 1.63 N ATOM 2098 CA LYS B 30 -2.556 -2.671 -18.119 1.00 1.54 C ATOM 2099 C LYS B 30 -1.642 -2.594 -16.889 1.00 1.42 C ATOM 2100 O LYS B 30 -0.633 -3.300 -16.808 1.00 2.21 O ATOM 2101 CB LYS B 30 -3.582 -1.540 -18.285 1.00 1.92 C ATOM 2102 CG LYS B 30 -2.919 -0.166 -18.477 1.00 3.00 C ATOM 2103 CD LYS B 30 -3.907 0.827 -19.097 1.00 3.48 C ATOM 2104 CE LYS B 30 -4.008 0.667 -20.623 1.00 3.37 C ATOM 2105 NZ LYS B 30 -5.055 1.544 -21.178 1.00 4.14 N ATOM 0 HA LYS B 30 -1.894 -2.553 -18.977 1.00 1.54 H new ATOM 0 HB2 LYS B 30 -4.219 -1.755 -19.143 1.00 1.92 H new ATOM 0 HB3 LYS B 30 -4.228 -1.508 -17.408 1.00 1.92 H new ATOM 0 HG2 LYS B 30 -2.569 0.212 -17.517 1.00 3.00 H new ATOM 0 HG3 LYS B 30 -2.044 -0.265 -19.119 1.00 3.00 H new ATOM 0 HD2 LYS B 30 -4.892 0.683 -18.652 1.00 3.48 H new ATOM 0 HD3 LYS B 30 -3.595 1.844 -18.860 1.00 3.48 H new ATOM 0 HE2 LYS B 30 -3.048 0.905 -21.082 1.00 3.37 H new ATOM 0 HE3 LYS B 30 -4.230 -0.371 -20.869 1.00 3.37 H new ATOM 0 HZ1 LYS B 30 -5.035 1.494 -22.217 1.00 4.14 H new ATOM 0 HZ2 LYS B 30 -5.986 1.234 -20.834 1.00 4.14 H new ATOM 0 HZ3 LYS B 30 -4.883 2.524 -20.875 1.00 4.14 H new ATOM 2119 N ASP B 31 -2.020 -1.774 -15.912 1.00 1.12 N ATOM 2120 CA ASP B 31 -1.239 -1.426 -14.736 1.00 1.01 C ATOM 2121 C ASP B 31 -2.155 -1.530 -13.522 1.00 1.00 C ATOM 2122 O ASP B 31 -1.960 -2.390 -12.670 1.00 1.29 O ATOM 2123 CB ASP B 31 -0.673 -0.010 -14.884 1.00 1.14 C ATOM 2124 CG ASP B 31 0.372 0.093 -15.983 1.00 1.84 C ATOM 2125 OD1 ASP B 31 1.570 -0.030 -15.662 1.00 2.32 O ATOM 2126 OD2 ASP B 31 -0.001 0.493 -17.109 1.00 3.11 O ATOM 0 H ASP B 31 -2.929 -1.311 -15.923 1.00 1.12 H new ATOM 0 HA ASP B 31 -0.394 -2.104 -14.616 1.00 1.01 H new ATOM 0 HB2 ASP B 31 -1.488 0.682 -15.097 1.00 1.14 H new ATOM 0 HB3 ASP B 31 -0.231 0.301 -13.938 1.00 1.14 H new ATOM 2131 N SER B 32 -3.168 -0.660 -13.476 1.00 0.93 N ATOM 2132 CA SER B 32 -4.274 -0.728 -12.541 1.00 0.93 C ATOM 2133 C SER B 32 -5.590 -0.536 -13.311 1.00 0.95 C ATOM 2134 O SER B 32 -5.714 -0.998 -14.444 1.00 1.08 O ATOM 2135 CB SER B 32 -4.059 0.314 -11.438 1.00 0.94 C ATOM 2136 OG SER B 32 -5.012 0.159 -10.405 1.00 1.66 O ATOM 0 H SER B 32 -3.235 0.134 -14.113 1.00 0.93 H new ATOM 0 HA SER B 32 -4.327 -1.702 -12.054 1.00 0.93 H new ATOM 0 HB2 SER B 32 -3.054 0.214 -11.029 1.00 0.94 H new ATOM 0 HB3 SER B 32 -4.133 1.316 -11.860 1.00 0.94 H new ATOM 0 HG SER B 32 -4.814 -0.655 -9.897 1.00 1.66 H new ATOM 2142 N LEU B 33 -6.562 0.111 -12.670 1.00 0.92 N ATOM 2143 CA LEU B 33 -7.973 0.117 -13.019 1.00 1.04 C ATOM 2144 C LEU B 33 -8.364 1.458 -13.641 1.00 0.90 C ATOM 2145 O LEU B 33 -7.539 2.372 -13.727 1.00 0.90 O ATOM 2146 CB LEU B 33 -8.760 -0.106 -11.714 1.00 1.30 C ATOM 2147 CG LEU B 33 -8.305 -1.331 -10.898 1.00 1.66 C ATOM 2148 CD1 LEU B 33 -9.028 -1.405 -9.553 1.00 3.82 C ATOM 2149 CD2 LEU B 33 -8.610 -2.605 -11.668 1.00 1.41 C ATOM 0 H LEU B 33 -6.369 0.678 -11.844 1.00 0.92 H new ATOM 0 HA LEU B 33 -8.192 -0.663 -13.748 1.00 1.04 H new ATOM 0 HB2 LEU B 33 -8.668 0.784 -11.092 1.00 1.30 H new ATOM 0 HB3 LEU B 33 -9.817 -0.218 -11.956 1.00 1.30 H new ATOM 0 HG LEU B 33 -7.234 -1.230 -10.725 1.00 1.66 H new ATOM 0 HD11 LEU B 33 -8.684 -2.281 -9.003 1.00 3.82 H new ATOM 0 HD12 LEU B 33 -8.814 -0.506 -8.975 1.00 3.82 H new ATOM 0 HD13 LEU B 33 -10.102 -1.481 -9.721 1.00 3.82 H new ATOM 0 HD21 LEU B 33 -8.286 -3.468 -11.086 1.00 1.41 H new ATOM 0 HD22 LEU B 33 -9.683 -2.672 -11.850 1.00 1.41 H new ATOM 0 HD23 LEU B 33 -8.080 -2.590 -12.621 1.00 1.41 H new ATOM 2161 N SER B 34 -9.639 1.602 -14.014 1.00 0.94 N ATOM 2162 CA SER B 34 -10.238 2.920 -14.157 1.00 0.98 C ATOM 2163 C SER B 34 -10.458 3.518 -12.765 1.00 0.90 C ATOM 2164 O SER B 34 -10.488 2.805 -11.762 1.00 0.87 O ATOM 2165 CB SER B 34 -11.506 2.877 -15.022 1.00 1.20 C ATOM 2166 OG SER B 34 -12.071 4.171 -15.185 1.00 2.08 O ATOM 0 H SER B 34 -10.267 0.825 -14.220 1.00 0.94 H new ATOM 0 HA SER B 34 -9.560 3.581 -14.697 1.00 0.98 H new ATOM 0 HB2 SER B 34 -11.267 2.458 -15.999 1.00 1.20 H new ATOM 0 HB3 SER B 34 -12.239 2.214 -14.562 1.00 1.20 H new ATOM 0 HG SER B 34 -11.358 4.820 -15.359 1.00 2.08 H new ATOM 2172 N VAL B 35 -10.553 4.842 -12.679 1.00 0.95 N ATOM 2173 CA VAL B 35 -10.519 5.541 -11.400 1.00 0.90 C ATOM 2174 C VAL B 35 -11.815 5.274 -10.617 1.00 0.94 C ATOM 2175 O VAL B 35 -11.797 4.867 -9.453 1.00 0.89 O ATOM 2176 CB VAL B 35 -10.267 7.028 -11.673 1.00 1.03 C ATOM 2177 CG1 VAL B 35 -10.148 7.815 -10.377 1.00 1.13 C ATOM 2178 CG2 VAL B 35 -8.994 7.292 -12.489 1.00 1.06 C ATOM 0 H VAL B 35 -10.655 5.455 -13.487 1.00 0.95 H new ATOM 0 HA VAL B 35 -9.709 5.175 -10.769 1.00 0.90 H new ATOM 0 HB VAL B 35 -11.131 7.354 -12.252 1.00 1.03 H new ATOM 0 HG11 VAL B 35 -9.970 8.866 -10.605 1.00 1.13 H new ATOM 0 HG12 VAL B 35 -11.072 7.719 -9.807 1.00 1.13 H new ATOM 0 HG13 VAL B 35 -9.317 7.425 -9.789 1.00 1.13 H new ATOM 0 HG21 VAL B 35 -8.878 8.364 -12.645 1.00 1.06 H new ATOM 0 HG22 VAL B 35 -8.129 6.908 -11.948 1.00 1.06 H new ATOM 0 HG23 VAL B 35 -9.070 6.791 -13.454 1.00 1.06 H new ATOM 2188 N ASN B 36 -12.953 5.482 -11.280 1.00 1.10 N ATOM 2189 CA ASN B 36 -14.273 5.109 -10.776 1.00 1.33 C ATOM 2190 C ASN B 36 -14.285 3.624 -10.378 1.00 1.27 C ATOM 2191 O ASN B 36 -14.642 3.287 -9.251 1.00 1.29 O ATOM 2192 CB ASN B 36 -15.379 5.373 -11.822 1.00 1.69 C ATOM 2193 CG ASN B 36 -15.066 4.751 -13.185 1.00 3.53 C ATOM 2194 OD1 ASN B 36 -15.462 3.627 -13.464 1.00 4.72 O ATOM 2195 ND2 ASN B 36 -14.278 5.432 -14.010 1.00 4.39 N ATOM 0 H ASN B 36 -12.983 5.923 -12.199 1.00 1.10 H new ATOM 0 HA ASN B 36 -14.479 5.727 -9.902 1.00 1.33 H new ATOM 0 HB2 ASN B 36 -16.324 4.974 -11.454 1.00 1.69 H new ATOM 0 HB3 ASN B 36 -15.512 6.448 -11.940 1.00 1.69 H new ATOM 0 HD21 ASN B 36 -13.991 5.019 -14.897 1.00 4.39 H new ATOM 0 HD22 ASN B 36 -13.961 6.367 -13.756 1.00 4.39 H new ATOM 2202 N GLU B 37 -13.878 2.744 -11.302 1.00 1.28 N ATOM 2203 CA GLU B 37 -13.824 1.299 -11.117 1.00 1.34 C ATOM 2204 C GLU B 37 -13.092 0.994 -9.813 1.00 1.18 C ATOM 2205 O GLU B 37 -13.644 0.348 -8.925 1.00 1.25 O ATOM 2206 CB GLU B 37 -13.133 0.687 -12.346 1.00 1.42 C ATOM 2207 CG GLU B 37 -12.934 -0.836 -12.317 1.00 2.05 C ATOM 2208 CD GLU B 37 -12.165 -1.319 -13.547 1.00 2.79 C ATOM 2209 OE1 GLU B 37 -11.279 -0.558 -13.997 1.00 3.32 O ATOM 2210 OE2 GLU B 37 -12.466 -2.438 -14.015 1.00 3.58 O ATOM 0 H GLU B 37 -13.568 3.035 -12.229 1.00 1.28 H new ATOM 0 HA GLU B 37 -14.819 0.861 -11.037 1.00 1.34 H new ATOM 0 HB2 GLU B 37 -13.717 0.940 -13.231 1.00 1.42 H new ATOM 0 HB3 GLU B 37 -12.157 1.159 -12.462 1.00 1.42 H new ATOM 0 HG2 GLU B 37 -12.393 -1.117 -11.414 1.00 2.05 H new ATOM 0 HG3 GLU B 37 -13.904 -1.331 -12.274 1.00 2.05 H new ATOM 2217 N PHE B 38 -11.870 1.516 -9.683 1.00 0.98 N ATOM 2218 CA PHE B 38 -11.068 1.400 -8.479 1.00 0.84 C ATOM 2219 C PHE B 38 -11.901 1.690 -7.235 1.00 0.83 C ATOM 2220 O PHE B 38 -11.982 0.819 -6.378 1.00 0.84 O ATOM 2221 CB PHE B 38 -9.829 2.300 -8.570 1.00 0.75 C ATOM 2222 CG PHE B 38 -9.141 2.633 -7.259 1.00 0.89 C ATOM 2223 CD1 PHE B 38 -9.541 3.764 -6.522 1.00 2.43 C ATOM 2224 CD2 PHE B 38 -8.080 1.837 -6.791 1.00 1.93 C ATOM 2225 CE1 PHE B 38 -8.950 4.040 -5.277 1.00 2.70 C ATOM 2226 CE2 PHE B 38 -7.437 2.161 -5.584 1.00 1.99 C ATOM 2227 CZ PHE B 38 -7.889 3.245 -4.813 1.00 1.56 C ATOM 0 H PHE B 38 -11.409 2.038 -10.428 1.00 0.98 H new ATOM 0 HA PHE B 38 -10.718 0.371 -8.391 1.00 0.84 H new ATOM 0 HB2 PHE B 38 -9.103 1.817 -9.224 1.00 0.75 H new ATOM 0 HB3 PHE B 38 -10.119 3.234 -9.051 1.00 0.75 H new ATOM 0 HD1 PHE B 38 -10.303 4.421 -6.914 1.00 2.43 H new ATOM 0 HD2 PHE B 38 -7.759 0.976 -7.359 1.00 1.93 H new ATOM 0 HE1 PHE B 38 -9.311 4.863 -4.678 1.00 2.70 H new ATOM 0 HE2 PHE B 38 -6.594 1.576 -5.249 1.00 1.99 H new ATOM 0 HZ PHE B 38 -7.421 3.467 -3.865 1.00 1.56 H new ATOM 2237 N LYS B 39 -12.530 2.872 -7.145 1.00 0.88 N ATOM 2238 CA LYS B 39 -13.343 3.268 -5.991 1.00 0.94 C ATOM 2239 C LYS B 39 -14.268 2.120 -5.568 1.00 1.07 C ATOM 2240 O LYS B 39 -14.345 1.747 -4.394 1.00 1.11 O ATOM 2241 CB LYS B 39 -14.177 4.516 -6.345 1.00 1.26 C ATOM 2242 CG LYS B 39 -14.901 5.155 -5.147 1.00 1.17 C ATOM 2243 CD LYS B 39 -16.138 5.928 -5.647 1.00 1.40 C ATOM 2244 CE LYS B 39 -17.401 5.044 -5.647 1.00 2.54 C ATOM 2245 NZ LYS B 39 -18.279 5.256 -6.824 1.00 3.53 N ATOM 0 H LYS B 39 -12.487 3.582 -7.876 1.00 0.88 H new ATOM 0 HA LYS B 39 -12.680 3.503 -5.158 1.00 0.94 H new ATOM 0 HB2 LYS B 39 -13.522 5.260 -6.797 1.00 1.26 H new ATOM 0 HB3 LYS B 39 -14.916 4.243 -7.098 1.00 1.26 H new ATOM 0 HG2 LYS B 39 -15.203 4.384 -4.438 1.00 1.17 H new ATOM 0 HG3 LYS B 39 -14.227 5.829 -4.618 1.00 1.17 H new ATOM 0 HD2 LYS B 39 -16.304 6.799 -5.013 1.00 1.40 H new ATOM 0 HD3 LYS B 39 -15.953 6.298 -6.655 1.00 1.40 H new ATOM 0 HE2 LYS B 39 -17.100 3.997 -5.613 1.00 2.54 H new ATOM 0 HE3 LYS B 39 -17.971 5.241 -4.739 1.00 2.54 H new ATOM 0 HZ1 LYS B 39 -19.260 5.020 -6.572 1.00 3.53 H new ATOM 0 HZ2 LYS B 39 -18.228 6.252 -7.120 1.00 3.53 H new ATOM 0 HZ3 LYS B 39 -17.965 4.646 -7.605 1.00 3.53 H new ATOM 2259 N GLU B 40 -14.996 1.586 -6.545 1.00 1.19 N ATOM 2260 CA GLU B 40 -16.076 0.644 -6.322 1.00 1.27 C ATOM 2261 C GLU B 40 -15.513 -0.737 -5.975 1.00 1.23 C ATOM 2262 O GLU B 40 -15.956 -1.362 -5.011 1.00 1.31 O ATOM 2263 CB GLU B 40 -17.029 0.707 -7.526 1.00 1.35 C ATOM 2264 CG GLU B 40 -17.630 2.124 -7.515 1.00 1.44 C ATOM 2265 CD GLU B 40 -18.462 2.509 -8.721 1.00 1.63 C ATOM 2266 OE1 GLU B 40 -18.924 1.606 -9.445 1.00 2.35 O ATOM 2267 OE2 GLU B 40 -18.632 3.746 -8.840 1.00 2.20 O ATOM 0 H GLU B 40 -14.845 1.803 -7.530 1.00 1.19 H new ATOM 0 HA GLU B 40 -16.679 0.903 -5.452 1.00 1.27 H new ATOM 0 HB2 GLU B 40 -16.495 0.516 -8.457 1.00 1.35 H new ATOM 0 HB3 GLU B 40 -17.810 -0.049 -7.446 1.00 1.35 H new ATOM 0 HG2 GLU B 40 -18.250 2.226 -6.625 1.00 1.44 H new ATOM 0 HG3 GLU B 40 -16.815 2.841 -7.419 1.00 1.44 H new ATOM 2274 N LEU B 41 -14.487 -1.187 -6.697 1.00 1.16 N ATOM 2275 CA LEU B 41 -13.759 -2.399 -6.347 1.00 1.15 C ATOM 2276 C LEU B 41 -13.227 -2.294 -4.911 1.00 0.99 C ATOM 2277 O LEU B 41 -13.599 -3.090 -4.053 1.00 1.05 O ATOM 2278 CB LEU B 41 -12.629 -2.656 -7.361 1.00 1.18 C ATOM 2279 CG LEU B 41 -13.035 -3.474 -8.605 1.00 1.22 C ATOM 2280 CD1 LEU B 41 -13.181 -4.965 -8.279 1.00 2.43 C ATOM 2281 CD2 LEU B 41 -14.314 -2.979 -9.292 1.00 2.20 C ATOM 0 H LEU B 41 -14.141 -0.722 -7.536 1.00 1.16 H new ATOM 0 HA LEU B 41 -14.435 -3.253 -6.390 1.00 1.15 H new ATOM 0 HB2 LEU B 41 -12.233 -1.695 -7.691 1.00 1.18 H new ATOM 0 HB3 LEU B 41 -11.818 -3.177 -6.852 1.00 1.18 H new ATOM 0 HG LEU B 41 -12.215 -3.327 -9.308 1.00 1.22 H new ATOM 0 HD11 LEU B 41 -13.468 -5.508 -9.180 1.00 2.43 H new ATOM 0 HD12 LEU B 41 -12.231 -5.351 -7.909 1.00 2.43 H new ATOM 0 HD13 LEU B 41 -13.948 -5.097 -7.516 1.00 2.43 H new ATOM 0 HD21 LEU B 41 -14.529 -3.607 -10.156 1.00 2.20 H new ATOM 0 HD22 LEU B 41 -15.147 -3.029 -8.590 1.00 2.20 H new ATOM 0 HD23 LEU B 41 -14.176 -1.948 -9.618 1.00 2.20 H new ATOM 2293 N VAL B 42 -12.378 -1.306 -4.613 1.00 0.86 N ATOM 2294 CA VAL B 42 -11.718 -1.241 -3.315 1.00 0.80 C ATOM 2295 C VAL B 42 -12.737 -1.146 -2.179 1.00 0.91 C ATOM 2296 O VAL B 42 -12.616 -1.870 -1.193 1.00 1.03 O ATOM 2297 CB VAL B 42 -10.628 -0.161 -3.234 1.00 0.74 C ATOM 2298 CG1 VAL B 42 -9.550 -0.399 -4.297 1.00 1.77 C ATOM 2299 CG2 VAL B 42 -11.173 1.268 -3.298 1.00 1.44 C ATOM 0 H VAL B 42 -12.136 -0.548 -5.251 1.00 0.86 H new ATOM 0 HA VAL B 42 -11.182 -2.182 -3.191 1.00 0.80 H new ATOM 0 HB VAL B 42 -10.175 -0.255 -2.247 1.00 0.74 H new ATOM 0 HG11 VAL B 42 -8.788 0.377 -4.222 1.00 1.77 H new ATOM 0 HG12 VAL B 42 -9.091 -1.375 -4.138 1.00 1.77 H new ATOM 0 HG13 VAL B 42 -10.003 -0.368 -5.288 1.00 1.77 H new ATOM 0 HG21 VAL B 42 -10.346 1.976 -3.235 1.00 1.44 H new ATOM 0 HG22 VAL B 42 -11.704 1.413 -4.239 1.00 1.44 H new ATOM 0 HG23 VAL B 42 -11.857 1.434 -2.466 1.00 1.44 H new ATOM 2309 N THR B 43 -13.762 -0.296 -2.309 1.00 0.98 N ATOM 2310 CA THR B 43 -14.757 -0.200 -1.250 1.00 1.15 C ATOM 2311 C THR B 43 -15.440 -1.565 -1.049 1.00 1.25 C ATOM 2312 O THR B 43 -15.543 -2.039 0.080 1.00 1.49 O ATOM 2313 CB THR B 43 -15.701 0.996 -1.478 1.00 1.28 C ATOM 2314 OG1 THR B 43 -16.213 1.464 -0.251 1.00 1.64 O ATOM 2315 CG2 THR B 43 -16.888 0.701 -2.394 1.00 1.43 C ATOM 0 H THR B 43 -13.917 0.314 -3.111 1.00 0.98 H new ATOM 0 HA THR B 43 -14.279 0.026 -0.297 1.00 1.15 H new ATOM 0 HB THR B 43 -15.081 1.745 -1.971 1.00 1.28 H new ATOM 0 HG1 THR B 43 -16.809 2.225 -0.414 1.00 1.64 H new ATOM 0 HG21 THR B 43 -17.499 1.598 -2.498 1.00 1.43 H new ATOM 0 HG22 THR B 43 -16.524 0.394 -3.374 1.00 1.43 H new ATOM 0 HG23 THR B 43 -17.490 -0.100 -1.964 1.00 1.43 H new ATOM 2323 N GLN B 44 -15.821 -2.251 -2.137 1.00 1.19 N ATOM 2324 CA GLN B 44 -16.383 -3.596 -2.036 1.00 1.33 C ATOM 2325 C GLN B 44 -15.396 -4.576 -1.388 1.00 1.27 C ATOM 2326 O GLN B 44 -15.813 -5.462 -0.647 1.00 1.30 O ATOM 2327 CB GLN B 44 -16.827 -4.095 -3.418 1.00 1.40 C ATOM 2328 CG GLN B 44 -18.092 -3.374 -3.907 1.00 1.82 C ATOM 2329 CD GLN B 44 -19.342 -3.841 -3.169 1.00 3.66 C ATOM 2330 OE1 GLN B 44 -19.935 -3.099 -2.394 1.00 5.19 O ATOM 2331 NE2 GLN B 44 -19.759 -5.083 -3.403 1.00 4.39 N ATOM 0 H GLN B 44 -15.749 -1.894 -3.090 1.00 1.19 H new ATOM 0 HA GLN B 44 -17.258 -3.545 -1.388 1.00 1.33 H new ATOM 0 HB2 GLN B 44 -16.021 -3.942 -4.136 1.00 1.40 H new ATOM 0 HB3 GLN B 44 -17.015 -5.168 -3.374 1.00 1.40 H new ATOM 0 HG2 GLN B 44 -17.972 -2.299 -3.770 1.00 1.82 H new ATOM 0 HG3 GLN B 44 -18.217 -3.547 -4.976 1.00 1.82 H new ATOM 0 HE21 GLN B 44 -19.246 -5.679 -4.053 1.00 4.39 H new ATOM 0 HE22 GLN B 44 -20.591 -5.439 -2.932 1.00 4.39 H new ATOM 2340 N GLN B 45 -14.100 -4.433 -1.673 1.00 1.23 N ATOM 2341 CA GLN B 45 -13.043 -5.264 -1.107 1.00 1.23 C ATOM 2342 C GLN B 45 -12.768 -4.950 0.367 1.00 1.22 C ATOM 2343 O GLN B 45 -12.191 -5.802 1.035 1.00 1.31 O ATOM 2344 CB GLN B 45 -11.752 -5.109 -1.917 1.00 1.16 C ATOM 2345 CG GLN B 45 -11.602 -6.065 -3.106 1.00 1.00 C ATOM 2346 CD GLN B 45 -12.686 -5.954 -4.174 1.00 1.20 C ATOM 2347 OE1 GLN B 45 -12.443 -5.417 -5.249 1.00 1.65 O ATOM 2348 NE2 GLN B 45 -13.872 -6.500 -3.922 1.00 2.03 N ATOM 0 H GLN B 45 -13.752 -3.722 -2.316 1.00 1.23 H new ATOM 0 HA GLN B 45 -13.393 -6.295 -1.160 1.00 1.23 H new ATOM 0 HB2 GLN B 45 -11.696 -4.085 -2.287 1.00 1.16 H new ATOM 0 HB3 GLN B 45 -10.904 -5.253 -1.248 1.00 1.16 H new ATOM 0 HG2 GLN B 45 -10.634 -5.886 -3.574 1.00 1.00 H new ATOM 0 HG3 GLN B 45 -11.590 -7.088 -2.729 1.00 1.00 H new ATOM 0 HE21 GLN B 45 -14.049 -6.941 -3.019 1.00 2.03 H new ATOM 0 HE22 GLN B 45 -14.605 -6.478 -4.631 1.00 2.03 H new ATOM 2357 N LEU B 46 -13.153 -3.772 0.877 1.00 1.15 N ATOM 2358 CA LEU B 46 -13.044 -3.433 2.297 1.00 1.15 C ATOM 2359 C LEU B 46 -14.441 -3.392 2.948 1.00 1.16 C ATOM 2360 O LEU B 46 -14.875 -2.330 3.384 1.00 1.19 O ATOM 2361 CB LEU B 46 -12.313 -2.085 2.479 1.00 1.14 C ATOM 2362 CG LEU B 46 -10.777 -2.149 2.399 1.00 1.39 C ATOM 2363 CD1 LEU B 46 -10.244 -2.350 0.975 1.00 1.25 C ATOM 2364 CD2 LEU B 46 -10.190 -0.848 2.958 1.00 1.91 C ATOM 0 H LEU B 46 -13.551 -3.024 0.309 1.00 1.15 H new ATOM 0 HA LEU B 46 -12.457 -4.206 2.794 1.00 1.15 H new ATOM 0 HB2 LEU B 46 -12.671 -1.392 1.718 1.00 1.14 H new ATOM 0 HB3 LEU B 46 -12.592 -1.668 3.447 1.00 1.14 H new ATOM 0 HG LEU B 46 -10.472 -3.017 2.984 1.00 1.39 H new ATOM 0 HD11 LEU B 46 -9.155 -2.385 0.996 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -10.630 -3.286 0.571 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -10.568 -1.522 0.345 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -9.102 -0.887 2.904 1.00 1.91 H new ATOM 0 HD22 LEU B 46 -10.552 -0.004 2.371 1.00 1.91 H new ATOM 0 HD23 LEU B 46 -10.498 -0.727 3.997 1.00 1.91 H new ATOM 2376 N PRO B 47 -15.160 -4.521 3.085 1.00 1.16 N ATOM 2377 CA PRO B 47 -16.511 -4.535 3.637 1.00 1.19 C ATOM 2378 C PRO B 47 -16.556 -4.364 5.162 1.00 1.25 C ATOM 2379 O PRO B 47 -17.639 -4.450 5.747 1.00 1.36 O ATOM 2380 CB PRO B 47 -17.093 -5.889 3.220 1.00 1.20 C ATOM 2381 CG PRO B 47 -15.862 -6.788 3.182 1.00 1.14 C ATOM 2382 CD PRO B 47 -14.779 -5.855 2.657 1.00 1.13 C ATOM 0 HA PRO B 47 -17.084 -3.689 3.257 1.00 1.19 H new ATOM 0 HB2 PRO B 47 -17.834 -6.248 3.934 1.00 1.20 H new ATOM 0 HB3 PRO B 47 -17.585 -5.836 2.249 1.00 1.20 H new ATOM 0 HG2 PRO B 47 -15.616 -7.178 4.169 1.00 1.14 H new ATOM 0 HG3 PRO B 47 -16.008 -7.647 2.527 1.00 1.14 H new ATOM 0 HD2 PRO B 47 -13.802 -6.128 3.055 1.00 1.13 H new ATOM 0 HD3 PRO B 47 -14.708 -5.911 1.571 1.00 1.13 H new ATOM 2390 N HIS B 48 -15.411 -4.185 5.830 1.00 1.36 N ATOM 2391 CA HIS B 48 -15.345 -3.791 7.228 1.00 1.37 C ATOM 2392 C HIS B 48 -15.468 -2.266 7.392 1.00 1.87 C ATOM 2393 O HIS B 48 -14.747 -1.502 6.754 1.00 3.46 O ATOM 2394 CB HIS B 48 -14.102 -4.398 7.890 1.00 1.87 C ATOM 2395 CG HIS B 48 -12.783 -3.862 7.398 1.00 1.90 C ATOM 2396 ND1 HIS B 48 -12.012 -4.362 6.368 1.00 3.55 N ATOM 2397 CD2 HIS B 48 -12.090 -2.827 7.964 1.00 2.36 C ATOM 2398 CE1 HIS B 48 -10.895 -3.620 6.309 1.00 4.46 C ATOM 2399 NE2 HIS B 48 -10.897 -2.669 7.256 1.00 3.72 N ATOM 0 H HIS B 48 -14.494 -4.314 5.402 1.00 1.36 H new ATOM 0 HA HIS B 48 -16.205 -4.198 7.759 1.00 1.37 H new ATOM 0 HB2 HIS B 48 -14.165 -4.230 8.965 1.00 1.87 H new ATOM 0 HB3 HIS B 48 -14.118 -5.477 7.734 1.00 1.87 H new ATOM 0 HD1 HIS B 48 -12.247 -5.149 5.764 1.00 3.55 H new ATOM 0 HD2 HIS B 48 -12.410 -2.236 8.810 1.00 2.36 H new ATOM 0 HE1 HIS B 48 -10.100 -3.769 5.594 1.00 4.46 H new ATOM 2407 N LEU B 49 -16.368 -1.825 8.279 1.00 2.06 N ATOM 2408 CA LEU B 49 -16.583 -0.438 8.697 1.00 2.42 C ATOM 2409 C LEU B 49 -17.060 0.494 7.574 1.00 2.24 C ATOM 2410 O LEU B 49 -18.179 0.992 7.675 1.00 2.61 O ATOM 2411 CB LEU B 49 -15.366 0.116 9.458 1.00 2.66 C ATOM 2412 CG LEU B 49 -15.505 -0.021 10.982 1.00 3.84 C ATOM 2413 CD1 LEU B 49 -15.697 -1.477 11.418 1.00 4.73 C ATOM 2414 CD2 LEU B 49 -14.252 0.550 11.657 1.00 5.48 C ATOM 0 H LEU B 49 -17.003 -2.468 8.752 1.00 2.06 H new ATOM 0 HA LEU B 49 -17.420 -0.465 9.394 1.00 2.42 H new ATOM 0 HB2 LEU B 49 -14.469 -0.409 9.131 1.00 2.66 H new ATOM 0 HB3 LEU B 49 -15.231 1.167 9.203 1.00 2.66 H new ATOM 0 HG LEU B 49 -16.393 0.534 11.285 1.00 3.84 H new ATOM 0 HD11 LEU B 49 -15.790 -1.523 12.503 1.00 4.73 H new ATOM 0 HD12 LEU B 49 -16.601 -1.878 10.959 1.00 4.73 H new ATOM 0 HD13 LEU B 49 -14.837 -2.068 11.103 1.00 4.73 H new ATOM 0 HD21 LEU B 49 -14.346 0.455 12.739 1.00 5.48 H new ATOM 0 HD22 LEU B 49 -13.374 -0.001 11.319 1.00 5.48 H new ATOM 0 HD23 LEU B 49 -14.144 1.602 11.393 1.00 5.48 H new ATOM 2426 N LEU B 50 -16.283 0.723 6.505 1.00 1.74 N ATOM 2427 CA LEU B 50 -16.790 1.395 5.314 1.00 1.60 C ATOM 2428 C LEU B 50 -17.199 2.839 5.646 1.00 1.44 C ATOM 2429 O LEU B 50 -18.255 3.322 5.250 1.00 1.63 O ATOM 2430 CB LEU B 50 -17.947 0.565 4.709 1.00 2.37 C ATOM 2431 CG LEU B 50 -18.031 0.602 3.176 1.00 1.89 C ATOM 2432 CD1 LEU B 50 -17.849 2.008 2.605 1.00 3.04 C ATOM 2433 CD2 LEU B 50 -16.993 -0.337 2.564 1.00 2.14 C ATOM 0 H LEU B 50 -15.302 0.450 6.447 1.00 1.74 H new ATOM 0 HA LEU B 50 -16.006 1.463 4.559 1.00 1.60 H new ATOM 0 HB2 LEU B 50 -17.838 -0.471 5.028 1.00 2.37 H new ATOM 0 HB3 LEU B 50 -18.889 0.928 5.120 1.00 2.37 H new ATOM 0 HG LEU B 50 -19.035 0.271 2.912 1.00 1.89 H new ATOM 0 HD11 LEU B 50 -17.918 1.971 1.518 1.00 3.04 H new ATOM 0 HD12 LEU B 50 -18.627 2.663 2.996 1.00 3.04 H new ATOM 0 HD13 LEU B 50 -16.871 2.394 2.893 1.00 3.04 H new ATOM 0 HD21 LEU B 50 -17.065 -0.300 1.477 1.00 2.14 H new ATOM 0 HD22 LEU B 50 -15.995 -0.027 2.873 1.00 2.14 H new ATOM 0 HD23 LEU B 50 -17.178 -1.356 2.905 1.00 2.14 H new ATOM 2445 N LYS B 51 -16.373 3.527 6.435 1.00 1.25 N ATOM 2446 CA LYS B 51 -16.714 4.848 6.943 1.00 1.25 C ATOM 2447 C LYS B 51 -16.434 5.967 5.924 1.00 1.12 C ATOM 2448 O LYS B 51 -17.189 6.931 5.874 1.00 1.19 O ATOM 2449 CB LYS B 51 -16.031 5.051 8.304 1.00 1.41 C ATOM 2450 CG LYS B 51 -14.505 5.133 8.189 1.00 1.43 C ATOM 2451 CD LYS B 51 -14.051 6.598 8.073 1.00 1.67 C ATOM 2452 CE LYS B 51 -13.803 7.330 9.394 1.00 2.03 C ATOM 2453 NZ LYS B 51 -12.790 6.669 10.227 1.00 3.45 N ATOM 0 H LYS B 51 -15.460 3.186 6.735 1.00 1.25 H new ATOM 0 HA LYS B 51 -17.791 4.908 7.100 1.00 1.25 H new ATOM 0 HB2 LYS B 51 -16.407 5.965 8.763 1.00 1.41 H new ATOM 0 HB3 LYS B 51 -16.298 4.228 8.967 1.00 1.41 H new ATOM 0 HG2 LYS B 51 -14.043 4.671 9.062 1.00 1.43 H new ATOM 0 HG3 LYS B 51 -14.170 4.572 7.317 1.00 1.43 H new ATOM 0 HD2 LYS B 51 -13.133 6.628 7.486 1.00 1.67 H new ATOM 0 HD3 LYS B 51 -14.806 7.148 7.512 1.00 1.67 H new ATOM 0 HE2 LYS B 51 -13.485 8.351 9.185 1.00 2.03 H new ATOM 0 HE3 LYS B 51 -14.738 7.395 9.950 1.00 2.03 H new ATOM 0 HZ1 LYS B 51 -12.094 7.371 10.550 1.00 3.45 H new ATOM 0 HZ2 LYS B 51 -13.250 6.232 11.052 1.00 3.45 H new ATOM 0 HZ3 LYS B 51 -12.308 5.935 9.670 1.00 3.45 H new ATOM 2467 N ASP B 52 -15.299 5.875 5.213 1.00 1.07 N ATOM 2468 CA ASP B 52 -14.724 6.884 4.320 1.00 1.07 C ATOM 2469 C ASP B 52 -15.090 8.338 4.662 1.00 1.02 C ATOM 2470 O ASP B 52 -15.891 8.970 3.983 1.00 1.25 O ATOM 2471 CB ASP B 52 -14.864 6.503 2.834 1.00 1.36 C ATOM 2472 CG ASP B 52 -13.675 5.688 2.330 1.00 2.15 C ATOM 2473 OD1 ASP B 52 -13.417 4.633 2.945 1.00 2.50 O ATOM 2474 OD2 ASP B 52 -13.005 6.155 1.375 1.00 3.32 O ATOM 0 H ASP B 52 -14.722 5.035 5.252 1.00 1.07 H new ATOM 0 HA ASP B 52 -13.652 6.870 4.517 1.00 1.07 H new ATOM 0 HB2 ASP B 52 -15.780 5.930 2.693 1.00 1.36 H new ATOM 0 HB3 ASP B 52 -14.960 7.409 2.236 1.00 1.36 H new ATOM 2479 N VAL B 53 -14.427 8.881 5.687 1.00 0.99 N ATOM 2480 CA VAL B 53 -14.247 10.306 5.925 1.00 1.15 C ATOM 2481 C VAL B 53 -12.841 10.444 6.497 1.00 1.49 C ATOM 2482 O VAL B 53 -12.386 9.535 7.198 1.00 2.04 O ATOM 2483 CB VAL B 53 -15.323 10.927 6.839 1.00 1.58 C ATOM 2484 CG1 VAL B 53 -16.702 10.925 6.171 1.00 2.93 C ATOM 2485 CG2 VAL B 53 -15.429 10.272 8.220 1.00 2.45 C ATOM 0 H VAL B 53 -13.982 8.308 6.404 1.00 0.99 H new ATOM 0 HA VAL B 53 -14.364 10.866 4.997 1.00 1.15 H new ATOM 0 HB VAL B 53 -14.988 11.952 6.996 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -17.434 11.370 6.845 1.00 2.93 H new ATOM 0 HG12 VAL B 53 -16.660 11.503 5.248 1.00 2.93 H new ATOM 0 HG13 VAL B 53 -16.995 9.900 5.944 1.00 2.93 H new ATOM 0 HG21 VAL B 53 -16.208 10.768 8.799 1.00 2.45 H new ATOM 0 HG22 VAL B 53 -15.678 9.217 8.104 1.00 2.45 H new ATOM 0 HG23 VAL B 53 -14.476 10.364 8.741 1.00 2.45 H new ATOM 2495 N GLY B 54 -12.144 11.527 6.163 1.00 1.80 N ATOM 2496 CA GLY B 54 -10.759 11.758 6.533 1.00 2.44 C ATOM 2497 C GLY B 54 -10.003 12.256 5.308 1.00 2.06 C ATOM 2498 O GLY B 54 -9.887 13.459 5.099 1.00 2.60 O ATOM 0 H GLY B 54 -12.543 12.287 5.612 1.00 1.80 H new ATOM 0 HA2 GLY B 54 -10.700 12.491 7.337 1.00 2.44 H new ATOM 0 HA3 GLY B 54 -10.309 10.838 6.907 1.00 2.44 H new ATOM 2502 N SER B 55 -9.420 11.341 4.531 1.00 1.59 N ATOM 2503 CA SER B 55 -8.973 11.631 3.178 1.00 1.24 C ATOM 2504 C SER B 55 -10.082 11.491 2.140 1.00 1.10 C ATOM 2505 O SER B 55 -9.920 12.065 1.071 1.00 1.28 O ATOM 2506 CB SER B 55 -7.756 10.803 2.771 1.00 1.57 C ATOM 2507 OG SER B 55 -6.554 11.514 3.007 1.00 2.34 O ATOM 0 H SER B 55 -9.247 10.380 4.827 1.00 1.59 H new ATOM 0 HA SER B 55 -8.674 12.679 3.199 1.00 1.24 H new ATOM 0 HB2 SER B 55 -7.745 9.868 3.331 1.00 1.57 H new ATOM 0 HB3 SER B 55 -7.826 10.542 1.715 1.00 1.57 H new ATOM 0 HG SER B 55 -6.072 11.632 2.162 1.00 2.34 H new ATOM 2513 N LEU B 56 -11.168 10.737 2.379 1.00 1.08 N ATOM 2514 CA LEU B 56 -12.267 10.636 1.406 1.00 1.03 C ATOM 2515 C LEU B 56 -12.606 12.013 0.872 1.00 1.08 C ATOM 2516 O LEU B 56 -12.734 12.211 -0.331 1.00 1.18 O ATOM 2517 CB LEU B 56 -13.522 10.025 2.033 1.00 1.18 C ATOM 2518 CG LEU B 56 -14.781 10.014 1.132 1.00 1.56 C ATOM 2519 CD1 LEU B 56 -15.533 11.349 1.000 1.00 1.81 C ATOM 2520 CD2 LEU B 56 -14.538 9.352 -0.230 1.00 2.50 C ATOM 0 H LEU B 56 -11.308 10.193 3.230 1.00 1.08 H new ATOM 0 HA LEU B 56 -11.933 9.986 0.598 1.00 1.03 H new ATOM 0 HB2 LEU B 56 -13.298 8.999 2.326 1.00 1.18 H new ATOM 0 HB3 LEU B 56 -13.755 10.574 2.946 1.00 1.18 H new ATOM 0 HG LEU B 56 -15.470 9.381 1.691 1.00 1.56 H new ATOM 0 HD11 LEU B 56 -16.395 11.218 0.346 1.00 1.81 H new ATOM 0 HD12 LEU B 56 -15.870 11.675 1.984 1.00 1.81 H new ATOM 0 HD13 LEU B 56 -14.867 12.101 0.577 1.00 1.81 H new ATOM 0 HD21 LEU B 56 -15.457 9.375 -0.815 1.00 2.50 H new ATOM 0 HD22 LEU B 56 -13.755 9.892 -0.762 1.00 2.50 H new ATOM 0 HD23 LEU B 56 -14.229 8.317 -0.082 1.00 2.50 H new ATOM 2532 N ASP B 57 -12.710 12.960 1.794 1.00 1.32 N ATOM 2533 CA ASP B 57 -12.948 14.361 1.561 1.00 1.76 C ATOM 2534 C ASP B 57 -12.164 14.870 0.343 1.00 1.61 C ATOM 2535 O ASP B 57 -12.704 15.638 -0.448 1.00 2.27 O ATOM 2536 CB ASP B 57 -12.573 15.123 2.844 1.00 2.25 C ATOM 2537 CG ASP B 57 -13.247 14.557 4.097 1.00 4.12 C ATOM 2538 OD1 ASP B 57 -13.018 13.354 4.376 1.00 5.50 O ATOM 2539 OD2 ASP B 57 -13.985 15.326 4.747 1.00 4.88 O ATOM 0 H ASP B 57 -12.623 12.746 2.788 1.00 1.32 H new ATOM 0 HA ASP B 57 -14.000 14.528 1.330 1.00 1.76 H new ATOM 0 HB2 ASP B 57 -11.491 15.092 2.975 1.00 2.25 H new ATOM 0 HB3 ASP B 57 -12.850 16.171 2.731 1.00 2.25 H new ATOM 2544 N GLU B 58 -10.896 14.469 0.198 1.00 1.10 N ATOM 2545 CA GLU B 58 -10.027 14.660 -0.963 1.00 1.17 C ATOM 2546 C GLU B 58 -10.298 13.622 -2.061 1.00 1.14 C ATOM 2547 O GLU B 58 -10.540 13.962 -3.220 1.00 1.56 O ATOM 2548 CB GLU B 58 -8.555 14.590 -0.517 1.00 1.31 C ATOM 2549 CG GLU B 58 -8.185 15.798 0.359 1.00 1.79 C ATOM 2550 CD GLU B 58 -8.263 17.105 -0.423 1.00 3.46 C ATOM 2551 OE1 GLU B 58 -7.321 17.366 -1.197 1.00 4.52 O ATOM 2552 OE2 GLU B 58 -9.298 17.796 -0.283 1.00 4.63 O ATOM 0 H GLU B 58 -10.418 13.966 0.945 1.00 1.10 H new ATOM 0 HA GLU B 58 -10.240 15.641 -1.387 1.00 1.17 H new ATOM 0 HB2 GLU B 58 -8.383 13.668 0.038 1.00 1.31 H new ATOM 0 HB3 GLU B 58 -7.907 14.560 -1.393 1.00 1.31 H new ATOM 0 HG2 GLU B 58 -8.857 15.846 1.216 1.00 1.79 H new ATOM 0 HG3 GLU B 58 -7.176 15.668 0.751 1.00 1.79 H new ATOM 2559 N LYS B 59 -10.213 12.346 -1.691 1.00 0.82 N ATOM 2560 CA LYS B 59 -10.241 11.184 -2.566 1.00 0.78 C ATOM 2561 C LYS B 59 -11.415 11.251 -3.543 1.00 0.84 C ATOM 2562 O LYS B 59 -11.256 10.988 -4.732 1.00 0.98 O ATOM 2563 CB LYS B 59 -10.258 9.902 -1.706 1.00 0.89 C ATOM 2564 CG LYS B 59 -9.288 8.858 -2.263 1.00 0.90 C ATOM 2565 CD LYS B 59 -8.994 7.702 -1.297 1.00 0.95 C ATOM 2566 CE LYS B 59 -10.190 6.818 -0.931 1.00 1.21 C ATOM 2567 NZ LYS B 59 -10.803 7.182 0.375 1.00 1.55 N ATOM 0 H LYS B 59 -10.117 12.083 -0.710 1.00 0.82 H new ATOM 0 HA LYS B 59 -9.341 11.170 -3.181 1.00 0.78 H new ATOM 0 HB2 LYS B 59 -9.987 10.145 -0.679 1.00 0.89 H new ATOM 0 HB3 LYS B 59 -11.267 9.490 -1.680 1.00 0.89 H new ATOM 0 HG2 LYS B 59 -9.700 8.451 -3.186 1.00 0.90 H new ATOM 0 HG3 LYS B 59 -8.350 9.350 -2.522 1.00 0.90 H new ATOM 0 HD2 LYS B 59 -8.222 7.072 -1.739 1.00 0.95 H new ATOM 0 HD3 LYS B 59 -8.579 8.118 -0.379 1.00 0.95 H new ATOM 0 HE2 LYS B 59 -10.944 6.894 -1.714 1.00 1.21 H new ATOM 0 HE3 LYS B 59 -9.869 5.777 -0.898 1.00 1.21 H new ATOM 0 HZ1 LYS B 59 -11.361 6.380 0.732 1.00 1.55 H new ATOM 0 HZ2 LYS B 59 -10.053 7.414 1.058 1.00 1.55 H new ATOM 0 HZ3 LYS B 59 -11.424 8.007 0.249 1.00 1.55 H new ATOM 2581 N MET B 60 -12.588 11.641 -3.044 1.00 0.86 N ATOM 2582 CA MET B 60 -13.776 11.876 -3.839 1.00 0.95 C ATOM 2583 C MET B 60 -13.457 12.795 -5.016 1.00 0.94 C ATOM 2584 O MET B 60 -13.747 12.429 -6.152 1.00 1.07 O ATOM 2585 CB MET B 60 -14.884 12.444 -2.944 1.00 1.02 C ATOM 2586 CG MET B 60 -16.196 12.649 -3.710 1.00 1.15 C ATOM 2587 SD MET B 60 -17.590 13.140 -2.666 1.00 2.53 S ATOM 2588 CE MET B 60 -18.884 13.275 -3.920 1.00 2.93 C ATOM 0 H MET B 60 -12.734 11.804 -2.048 1.00 0.86 H new ATOM 0 HA MET B 60 -14.132 10.935 -4.259 1.00 0.95 H new ATOM 0 HB2 MET B 60 -15.056 11.767 -2.107 1.00 1.02 H new ATOM 0 HB3 MET B 60 -14.558 13.395 -2.524 1.00 1.02 H new ATOM 0 HG2 MET B 60 -16.043 13.410 -4.475 1.00 1.15 H new ATOM 0 HG3 MET B 60 -16.451 11.724 -4.227 1.00 1.15 H new ATOM 0 HE1 MET B 60 -19.820 13.572 -3.447 1.00 2.93 H new ATOM 0 HE2 MET B 60 -18.598 14.023 -4.659 1.00 2.93 H new ATOM 0 HE3 MET B 60 -19.016 12.311 -4.412 1.00 2.93 H new ATOM 2598 N LYS B 61 -12.834 13.958 -4.767 1.00 0.89 N ATOM 2599 CA LYS B 61 -12.517 14.889 -5.849 1.00 1.04 C ATOM 2600 C LYS B 61 -11.620 14.193 -6.868 1.00 1.14 C ATOM 2601 O LYS B 61 -11.816 14.316 -8.076 1.00 1.26 O ATOM 2602 CB LYS B 61 -11.808 16.159 -5.361 1.00 1.16 C ATOM 2603 CG LYS B 61 -12.629 17.016 -4.388 1.00 1.99 C ATOM 2604 CD LYS B 61 -11.855 17.122 -3.075 1.00 1.70 C ATOM 2605 CE LYS B 61 -12.499 18.088 -2.073 1.00 2.29 C ATOM 2606 NZ LYS B 61 -11.789 18.088 -0.780 1.00 2.36 N ATOM 0 H LYS B 61 -12.546 14.268 -3.839 1.00 0.89 H new ATOM 0 HA LYS B 61 -13.466 15.191 -6.293 1.00 1.04 H new ATOM 0 HB2 LYS B 61 -10.875 15.874 -4.875 1.00 1.16 H new ATOM 0 HB3 LYS B 61 -11.544 16.767 -6.226 1.00 1.16 H new ATOM 0 HG2 LYS B 61 -12.803 18.007 -4.808 1.00 1.99 H new ATOM 0 HG3 LYS B 61 -13.607 16.566 -4.217 1.00 1.99 H new ATOM 0 HD2 LYS B 61 -11.783 16.133 -2.622 1.00 1.70 H new ATOM 0 HD3 LYS B 61 -10.838 17.451 -3.286 1.00 1.70 H new ATOM 0 HE2 LYS B 61 -12.499 19.096 -2.488 1.00 2.29 H new ATOM 0 HE3 LYS B 61 -13.541 17.808 -1.916 1.00 2.29 H new ATOM 0 HZ1 LYS B 61 -11.989 18.974 -0.274 1.00 2.36 H new ATOM 0 HZ2 LYS B 61 -12.111 17.282 -0.207 1.00 2.36 H new ATOM 0 HZ3 LYS B 61 -10.765 18.008 -0.946 1.00 2.36 H new ATOM 2620 N SER B 62 -10.626 13.460 -6.353 1.00 1.15 N ATOM 2621 CA SER B 62 -9.659 12.747 -7.175 1.00 1.26 C ATOM 2622 C SER B 62 -10.322 11.780 -8.161 1.00 1.34 C ATOM 2623 O SER B 62 -9.716 11.491 -9.191 1.00 1.62 O ATOM 2624 CB SER B 62 -8.619 12.025 -6.309 1.00 1.23 C ATOM 2625 OG SER B 62 -7.517 11.637 -7.109 1.00 1.85 O ATOM 0 H SER B 62 -10.475 13.348 -5.350 1.00 1.15 H new ATOM 0 HA SER B 62 -9.144 13.500 -7.772 1.00 1.26 H new ATOM 0 HB2 SER B 62 -8.284 12.680 -5.505 1.00 1.23 H new ATOM 0 HB3 SER B 62 -9.067 11.149 -5.841 1.00 1.23 H new ATOM 0 HG SER B 62 -6.854 11.178 -6.552 1.00 1.85 H new ATOM 2631 N LEU B 63 -11.520 11.258 -7.862 1.00 1.25 N ATOM 2632 CA LEU B 63 -12.289 10.497 -8.844 1.00 1.32 C ATOM 2633 C LEU B 63 -13.151 11.482 -9.650 1.00 1.41 C ATOM 2634 O LEU B 63 -13.079 11.494 -10.878 1.00 1.50 O ATOM 2635 CB LEU B 63 -13.094 9.349 -8.198 1.00 1.31 C ATOM 2636 CG LEU B 63 -12.293 8.221 -7.503 1.00 1.26 C ATOM 2637 CD1 LEU B 63 -10.813 8.486 -7.179 1.00 1.21 C ATOM 2638 CD2 LEU B 63 -12.968 7.891 -6.169 1.00 1.46 C ATOM 0 H LEU B 63 -11.971 11.351 -6.952 1.00 1.25 H new ATOM 0 HA LEU B 63 -11.613 9.989 -9.532 1.00 1.32 H new ATOM 0 HB2 LEU B 63 -13.771 9.784 -7.462 1.00 1.31 H new ATOM 0 HB3 LEU B 63 -13.713 8.895 -8.971 1.00 1.31 H new ATOM 0 HG LEU B 63 -12.298 7.420 -8.243 1.00 1.26 H new ATOM 0 HD11 LEU B 63 -10.384 7.609 -6.695 1.00 1.21 H new ATOM 0 HD12 LEU B 63 -10.270 8.694 -8.101 1.00 1.21 H new ATOM 0 HD13 LEU B 63 -10.735 9.344 -6.511 1.00 1.21 H new ATOM 0 HD21 LEU B 63 -12.414 7.097 -5.668 1.00 1.46 H new ATOM 0 HD22 LEU B 63 -12.980 8.780 -5.538 1.00 1.46 H new ATOM 0 HD23 LEU B 63 -13.991 7.561 -6.351 1.00 1.46 H new ATOM 2650 N ASP B 64 -13.919 12.327 -8.953 1.00 1.41 N ATOM 2651 CA ASP B 64 -14.872 13.291 -9.505 1.00 1.54 C ATOM 2652 C ASP B 64 -14.362 13.975 -10.775 1.00 1.65 C ATOM 2653 O ASP B 64 -15.084 14.020 -11.770 1.00 1.88 O ATOM 2654 CB ASP B 64 -15.208 14.344 -8.447 1.00 1.42 C ATOM 2655 CG ASP B 64 -16.304 15.282 -8.922 1.00 1.64 C ATOM 2656 OD1 ASP B 64 -17.483 14.909 -8.744 1.00 2.50 O ATOM 2657 OD2 ASP B 64 -15.938 16.365 -9.425 1.00 1.51 O ATOM 0 H ASP B 64 -13.889 12.357 -7.934 1.00 1.41 H new ATOM 0 HA ASP B 64 -15.766 12.734 -9.784 1.00 1.54 H new ATOM 0 HB2 ASP B 64 -15.524 13.850 -7.528 1.00 1.42 H new ATOM 0 HB3 ASP B 64 -14.314 14.919 -8.208 1.00 1.42 H new ATOM 2662 N VAL B 65 -13.119 14.476 -10.739 1.00 1.56 N ATOM 2663 CA VAL B 65 -12.481 15.175 -11.854 1.00 1.71 C ATOM 2664 C VAL B 65 -12.754 14.534 -13.221 1.00 1.99 C ATOM 2665 O VAL B 65 -13.531 15.050 -14.019 1.00 2.35 O ATOM 2666 CB VAL B 65 -10.962 15.325 -11.621 1.00 1.72 C ATOM 2667 CG1 VAL B 65 -10.698 16.563 -10.774 1.00 2.51 C ATOM 2668 CG2 VAL B 65 -10.257 14.130 -10.952 1.00 3.18 C ATOM 0 H VAL B 65 -12.521 14.403 -9.916 1.00 1.56 H new ATOM 0 HA VAL B 65 -12.939 16.164 -11.882 1.00 1.71 H new ATOM 0 HB VAL B 65 -10.541 15.397 -12.624 1.00 1.72 H new ATOM 0 HG11 VAL B 65 -9.626 16.669 -10.609 1.00 2.51 H new ATOM 0 HG12 VAL B 65 -11.075 17.445 -11.292 1.00 2.51 H new ATOM 0 HG13 VAL B 65 -11.204 16.462 -9.814 1.00 2.51 H new ATOM 0 HG21 VAL B 65 -9.195 14.350 -10.840 1.00 3.18 H new ATOM 0 HG22 VAL B 65 -10.696 13.952 -9.970 1.00 3.18 H new ATOM 0 HG23 VAL B 65 -10.380 13.242 -11.571 1.00 3.18 H new ATOM 2678 N ASN B 66 -12.046 13.444 -13.520 1.00 1.85 N ATOM 2679 CA ASN B 66 -12.149 12.725 -14.788 1.00 2.06 C ATOM 2680 C ASN B 66 -12.007 11.225 -14.536 1.00 1.95 C ATOM 2681 O ASN B 66 -11.136 10.568 -15.110 1.00 2.04 O ATOM 2682 CB ASN B 66 -11.077 13.214 -15.777 1.00 2.24 C ATOM 2683 CG ASN B 66 -11.289 14.655 -16.227 1.00 2.37 C ATOM 2684 OD1 ASN B 66 -12.029 14.916 -17.171 1.00 3.37 O ATOM 2685 ND2 ASN B 66 -10.622 15.609 -15.581 1.00 2.48 N ATOM 0 H ASN B 66 -11.373 13.030 -12.875 1.00 1.85 H new ATOM 0 HA ASN B 66 -13.126 12.920 -15.231 1.00 2.06 H new ATOM 0 HB2 ASN B 66 -10.095 13.126 -15.312 1.00 2.24 H new ATOM 0 HB3 ASN B 66 -11.075 12.563 -16.652 1.00 2.24 H new ATOM 0 HD21 ASN B 66 -10.720 16.583 -15.868 1.00 2.48 H new ATOM 0 HD22 ASN B 66 -10.013 15.366 -14.800 1.00 2.48 H new ATOM 2692 N GLN B 67 -12.889 10.665 -13.698 1.00 1.80 N ATOM 2693 CA GLN B 67 -12.800 9.282 -13.279 1.00 1.64 C ATOM 2694 C GLN B 67 -12.764 8.303 -14.445 1.00 1.87 C ATOM 2695 O GLN B 67 -12.270 7.193 -14.280 1.00 1.87 O ATOM 2696 CB GLN B 67 -13.943 8.878 -12.341 1.00 1.62 C ATOM 2697 CG GLN B 67 -15.347 9.280 -12.827 1.00 1.99 C ATOM 2698 CD GLN B 67 -15.761 10.633 -12.270 1.00 2.54 C ATOM 2699 OE1 GLN B 67 -16.128 10.722 -11.104 1.00 3.57 O ATOM 2700 NE2 GLN B 67 -15.694 11.685 -13.082 1.00 2.97 N ATOM 0 H GLN B 67 -13.681 11.168 -13.298 1.00 1.80 H new ATOM 0 HA GLN B 67 -11.853 9.223 -12.743 1.00 1.64 H new ATOM 0 HB2 GLN B 67 -13.917 7.797 -12.203 1.00 1.62 H new ATOM 0 HB3 GLN B 67 -13.769 9.328 -11.364 1.00 1.62 H new ATOM 0 HG2 GLN B 67 -15.361 9.314 -13.916 1.00 1.99 H new ATOM 0 HG3 GLN B 67 -16.070 8.523 -12.522 1.00 1.99 H new ATOM 0 HE21 GLN B 67 -15.383 11.566 -14.046 1.00 2.97 H new ATOM 0 HE22 GLN B 67 -15.954 12.610 -12.740 1.00 2.97 H new ATOM 2709 N ASP B 68 -13.370 8.678 -15.571 1.00 2.13 N ATOM 2710 CA ASP B 68 -13.397 7.894 -16.795 1.00 2.29 C ATOM 2711 C ASP B 68 -12.021 7.312 -17.125 1.00 2.39 C ATOM 2712 O ASP B 68 -11.915 6.170 -17.571 1.00 2.66 O ATOM 2713 CB ASP B 68 -13.894 8.805 -17.922 1.00 2.25 C ATOM 2714 CG ASP B 68 -13.755 8.142 -19.285 1.00 2.74 C ATOM 2715 OD1 ASP B 68 -14.702 7.420 -19.661 1.00 4.13 O ATOM 2716 OD2 ASP B 68 -12.711 8.392 -19.922 1.00 2.84 O ATOM 0 H ASP B 68 -13.869 9.563 -15.654 1.00 2.13 H new ATOM 0 HA ASP B 68 -14.067 7.043 -16.671 1.00 2.29 H new ATOM 0 HB2 ASP B 68 -14.939 9.063 -17.748 1.00 2.25 H new ATOM 0 HB3 ASP B 68 -13.330 9.737 -17.912 1.00 2.25 H new ATOM 2721 N SER B 69 -10.968 8.096 -16.879 1.00 2.25 N ATOM 2722 CA SER B 69 -9.615 7.698 -17.216 1.00 2.37 C ATOM 2723 C SER B 69 -9.130 6.486 -16.403 1.00 2.29 C ATOM 2724 O SER B 69 -9.866 5.866 -15.625 1.00 3.52 O ATOM 2725 CB SER B 69 -8.674 8.901 -17.059 1.00 2.31 C ATOM 2726 OG SER B 69 -7.466 8.675 -17.765 1.00 2.70 O ATOM 0 H SER B 69 -11.037 9.016 -16.444 1.00 2.25 H new ATOM 0 HA SER B 69 -9.609 7.373 -18.256 1.00 2.37 H new ATOM 0 HB2 SER B 69 -9.159 9.802 -17.434 1.00 2.31 H new ATOM 0 HB3 SER B 69 -8.460 9.069 -16.003 1.00 2.31 H new ATOM 0 HG SER B 69 -6.726 8.592 -17.128 1.00 2.70 H new ATOM 2732 N GLU B 70 -7.852 6.173 -16.603 1.00 1.25 N ATOM 2733 CA GLU B 70 -7.139 5.071 -15.981 1.00 1.02 C ATOM 2734 C GLU B 70 -6.256 5.581 -14.858 1.00 0.86 C ATOM 2735 O GLU B 70 -5.909 6.762 -14.813 1.00 1.15 O ATOM 2736 CB GLU B 70 -6.309 4.331 -17.034 1.00 1.10 C ATOM 2737 CG GLU B 70 -7.257 3.475 -17.877 1.00 1.82 C ATOM 2738 CD GLU B 70 -6.603 2.930 -19.133 1.00 2.27 C ATOM 2739 OE1 GLU B 70 -5.587 3.500 -19.597 1.00 2.17 O ATOM 2740 OE2 GLU B 70 -7.068 1.886 -19.640 1.00 3.56 O ATOM 0 H GLU B 70 -7.260 6.711 -17.236 1.00 1.25 H new ATOM 0 HA GLU B 70 -7.860 4.374 -15.553 1.00 1.02 H new ATOM 0 HB2 GLU B 70 -5.776 5.042 -17.666 1.00 1.10 H new ATOM 0 HB3 GLU B 70 -5.557 3.705 -16.554 1.00 1.10 H new ATOM 0 HG2 GLU B 70 -7.621 2.644 -17.273 1.00 1.82 H new ATOM 0 HG3 GLU B 70 -8.126 4.071 -18.156 1.00 1.82 H new ATOM 2747 N LEU B 71 -5.872 4.665 -13.972 1.00 0.74 N ATOM 2748 CA LEU B 71 -4.860 4.920 -12.957 1.00 0.82 C ATOM 2749 C LEU B 71 -3.727 3.901 -13.051 1.00 0.70 C ATOM 2750 O LEU B 71 -3.792 2.931 -13.808 1.00 0.77 O ATOM 2751 CB LEU B 71 -5.492 4.991 -11.564 1.00 1.27 C ATOM 2752 CG LEU B 71 -5.943 3.628 -11.027 1.00 1.28 C ATOM 2753 CD1 LEU B 71 -5.203 3.279 -9.734 1.00 1.97 C ATOM 2754 CD2 LEU B 71 -7.434 3.647 -10.747 1.00 2.32 C ATOM 0 H LEU B 71 -6.258 3.721 -13.940 1.00 0.74 H new ATOM 0 HA LEU B 71 -4.412 5.896 -13.142 1.00 0.82 H new ATOM 0 HB2 LEU B 71 -4.774 5.427 -10.870 1.00 1.27 H new ATOM 0 HB3 LEU B 71 -6.351 5.662 -11.597 1.00 1.27 H new ATOM 0 HG LEU B 71 -5.715 2.877 -11.784 1.00 1.28 H new ATOM 0 HD11 LEU B 71 -5.540 2.308 -9.373 1.00 1.97 H new ATOM 0 HD12 LEU B 71 -4.131 3.242 -9.927 1.00 1.97 H new ATOM 0 HD13 LEU B 71 -5.410 4.038 -8.980 1.00 1.97 H new ATOM 0 HD21 LEU B 71 -7.745 2.674 -10.366 1.00 2.32 H new ATOM 0 HD22 LEU B 71 -7.655 4.415 -10.006 1.00 2.32 H new ATOM 0 HD23 LEU B 71 -7.974 3.865 -11.668 1.00 2.32 H new ATOM 2766 N LYS B 72 -2.665 4.153 -12.289 1.00 0.66 N ATOM 2767 CA LYS B 72 -1.417 3.413 -12.277 1.00 0.68 C ATOM 2768 C LYS B 72 -1.069 3.120 -10.817 1.00 0.62 C ATOM 2769 O LYS B 72 -1.638 3.728 -9.909 1.00 0.55 O ATOM 2770 CB LYS B 72 -0.328 4.268 -12.941 1.00 0.80 C ATOM 2771 CG LYS B 72 -0.755 4.824 -14.312 1.00 1.11 C ATOM 2772 CD LYS B 72 0.315 4.641 -15.397 1.00 1.92 C ATOM 2773 CE LYS B 72 0.247 3.178 -15.851 1.00 3.28 C ATOM 2774 NZ LYS B 72 1.193 2.826 -16.926 1.00 4.78 N ATOM 0 H LYS B 72 -2.658 4.927 -11.625 1.00 0.66 H new ATOM 0 HA LYS B 72 -1.499 2.476 -12.827 1.00 0.68 H new ATOM 0 HB2 LYS B 72 -0.072 5.098 -12.282 1.00 0.80 H new ATOM 0 HB3 LYS B 72 0.574 3.668 -13.063 1.00 0.80 H new ATOM 0 HG2 LYS B 72 -1.673 4.328 -14.628 1.00 1.11 H new ATOM 0 HG3 LYS B 72 -0.984 5.885 -14.212 1.00 1.11 H new ATOM 0 HD2 LYS B 72 0.133 5.314 -16.235 1.00 1.92 H new ATOM 0 HD3 LYS B 72 1.305 4.878 -15.007 1.00 1.92 H new ATOM 0 HE2 LYS B 72 0.438 2.535 -14.992 1.00 3.28 H new ATOM 0 HE3 LYS B 72 -0.766 2.963 -16.191 1.00 3.28 H new ATOM 0 HZ1 LYS B 72 0.844 1.989 -17.435 1.00 4.78 H new ATOM 0 HZ2 LYS B 72 1.278 3.623 -17.588 1.00 4.78 H new ATOM 0 HZ3 LYS B 72 2.125 2.618 -16.514 1.00 4.78 H new ATOM 2788 N PHE B 73 -0.135 2.199 -10.574 1.00 0.72 N ATOM 2789 CA PHE B 73 0.229 1.772 -9.226 1.00 0.76 C ATOM 2790 C PHE B 73 0.572 2.953 -8.307 1.00 0.76 C ATOM 2791 O PHE B 73 0.168 2.973 -7.148 1.00 0.82 O ATOM 2792 CB PHE B 73 1.341 0.714 -9.272 1.00 0.97 C ATOM 2793 CG PHE B 73 2.337 0.868 -10.403 1.00 1.02 C ATOM 2794 CD1 PHE B 73 3.342 1.848 -10.331 1.00 2.46 C ATOM 2795 CD2 PHE B 73 2.174 0.118 -11.584 1.00 1.84 C ATOM 2796 CE1 PHE B 73 4.148 2.108 -11.452 1.00 3.07 C ATOM 2797 CE2 PHE B 73 3.005 0.356 -12.691 1.00 2.43 C ATOM 2798 CZ PHE B 73 3.985 1.359 -12.630 1.00 2.64 C ATOM 0 H PHE B 73 0.391 1.728 -11.310 1.00 0.72 H new ATOM 0 HA PHE B 73 -0.649 1.304 -8.780 1.00 0.76 H new ATOM 0 HB2 PHE B 73 1.883 0.740 -8.327 1.00 0.97 H new ATOM 0 HB3 PHE B 73 0.880 -0.271 -9.348 1.00 0.97 H new ATOM 0 HD1 PHE B 73 3.494 2.400 -9.415 1.00 2.46 H new ATOM 0 HD2 PHE B 73 1.408 -0.642 -11.638 1.00 1.84 H new ATOM 0 HE1 PHE B 73 4.896 2.886 -11.408 1.00 3.07 H new ATOM 0 HE2 PHE B 73 2.890 -0.233 -13.589 1.00 2.43 H new ATOM 0 HZ PHE B 73 4.613 1.555 -13.487 1.00 2.64 H new ATOM 2808 N ASN B 74 1.289 3.950 -8.826 1.00 0.89 N ATOM 2809 CA ASN B 74 1.644 5.171 -8.101 1.00 1.10 C ATOM 2810 C ASN B 74 0.401 5.991 -7.693 1.00 1.08 C ATOM 2811 O ASN B 74 0.425 6.665 -6.660 1.00 1.50 O ATOM 2812 CB ASN B 74 2.647 5.996 -8.927 1.00 1.34 C ATOM 2813 CG ASN B 74 2.111 6.235 -10.329 1.00 2.65 C ATOM 2814 OD1 ASN B 74 2.100 5.308 -11.136 1.00 4.14 O ATOM 2815 ND2 ASN B 74 1.608 7.427 -10.600 1.00 3.16 N ATOM 0 H ASN B 74 1.647 3.931 -9.781 1.00 0.89 H new ATOM 0 HA ASN B 74 2.126 4.887 -7.166 1.00 1.10 H new ATOM 0 HB2 ASN B 74 2.834 6.950 -8.435 1.00 1.34 H new ATOM 0 HB3 ASN B 74 3.601 5.472 -8.980 1.00 1.34 H new ATOM 0 HD21 ASN B 74 1.188 7.608 -11.512 1.00 3.16 H new ATOM 0 HD22 ASN B 74 1.640 8.166 -9.898 1.00 3.16 H new ATOM 2822 N GLU B 75 -0.690 5.951 -8.471 1.00 0.75 N ATOM 2823 CA GLU B 75 -1.975 6.549 -8.096 1.00 0.66 C ATOM 2824 C GLU B 75 -2.673 5.663 -7.069 1.00 0.49 C ATOM 2825 O GLU B 75 -3.045 6.139 -5.996 1.00 0.60 O ATOM 2826 CB GLU B 75 -2.877 6.757 -9.322 1.00 0.89 C ATOM 2827 CG GLU B 75 -2.675 8.094 -10.044 1.00 1.56 C ATOM 2828 CD GLU B 75 -1.247 8.307 -10.511 1.00 1.88 C ATOM 2829 OE1 GLU B 75 -0.852 7.642 -11.493 1.00 3.03 O ATOM 2830 OE2 GLU B 75 -0.558 9.120 -9.849 1.00 2.60 O ATOM 0 H GLU B 75 -0.703 5.499 -9.385 1.00 0.75 H new ATOM 0 HA GLU B 75 -1.782 7.529 -7.659 1.00 0.66 H new ATOM 0 HB2 GLU B 75 -2.699 5.947 -10.029 1.00 0.89 H new ATOM 0 HB3 GLU B 75 -3.918 6.683 -9.007 1.00 0.89 H new ATOM 0 HG2 GLU B 75 -3.343 8.141 -10.904 1.00 1.56 H new ATOM 0 HG3 GLU B 75 -2.958 8.908 -9.376 1.00 1.56 H new ATOM 2837 N TYR B 76 -2.851 4.382 -7.407 1.00 0.48 N ATOM 2838 CA TYR B 76 -3.449 3.382 -6.530 1.00 0.62 C ATOM 2839 C TYR B 76 -2.917 3.553 -5.109 1.00 0.61 C ATOM 2840 O TYR B 76 -3.696 3.650 -4.160 1.00 0.63 O ATOM 2841 CB TYR B 76 -3.132 1.979 -7.070 1.00 0.84 C ATOM 2842 CG TYR B 76 -3.400 0.825 -6.123 1.00 1.25 C ATOM 2843 CD1 TYR B 76 -2.415 0.446 -5.190 1.00 2.36 C ATOM 2844 CD2 TYR B 76 -4.564 0.048 -6.258 1.00 1.65 C ATOM 2845 CE1 TYR B 76 -2.629 -0.653 -4.348 1.00 2.74 C ATOM 2846 CE2 TYR B 76 -4.729 -1.113 -5.483 1.00 2.00 C ATOM 2847 CZ TYR B 76 -3.757 -1.464 -4.528 1.00 2.19 C ATOM 2848 OH TYR B 76 -3.864 -2.613 -3.810 1.00 2.65 O ATOM 0 H TYR B 76 -2.577 4.009 -8.316 1.00 0.48 H new ATOM 0 HA TYR B 76 -4.531 3.512 -6.505 1.00 0.62 H new ATOM 0 HB2 TYR B 76 -3.714 1.821 -7.978 1.00 0.84 H new ATOM 0 HB3 TYR B 76 -2.081 1.951 -7.357 1.00 0.84 H new ATOM 0 HD1 TYR B 76 -1.493 1.004 -5.124 1.00 2.36 H new ATOM 0 HD2 TYR B 76 -5.332 0.343 -6.958 1.00 1.65 H new ATOM 0 HE1 TYR B 76 -1.924 -0.875 -3.560 1.00 2.74 H new ATOM 0 HE2 TYR B 76 -5.601 -1.735 -5.620 1.00 2.00 H new ATOM 0 HH TYR B 76 -3.406 -2.505 -2.950 1.00 2.65 H new ATOM 2858 N TRP B 77 -1.586 3.582 -4.977 1.00 0.64 N ATOM 2859 CA TRP B 77 -0.940 3.511 -3.687 1.00 0.65 C ATOM 2860 C TRP B 77 -1.477 4.548 -2.717 1.00 0.60 C ATOM 2861 O TRP B 77 -2.177 4.199 -1.770 1.00 0.60 O ATOM 2862 CB TRP B 77 0.582 3.589 -3.823 1.00 0.71 C ATOM 2863 CG TRP B 77 1.213 2.530 -3.022 1.00 0.71 C ATOM 2864 CD1 TRP B 77 1.542 2.662 -1.731 1.00 0.71 C ATOM 2865 CD2 TRP B 77 1.606 1.194 -3.416 1.00 0.69 C ATOM 2866 NE1 TRP B 77 2.049 1.478 -1.268 1.00 0.70 N ATOM 2867 CE2 TRP B 77 2.166 0.550 -2.278 1.00 0.68 C ATOM 2868 CE3 TRP B 77 1.620 0.494 -4.635 1.00 0.70 C ATOM 2869 CZ2 TRP B 77 2.715 -0.735 -2.347 1.00 0.68 C ATOM 2870 CZ3 TRP B 77 2.218 -0.769 -4.708 1.00 0.71 C ATOM 2871 CH2 TRP B 77 2.717 -1.400 -3.576 1.00 0.71 C ATOM 0 H TRP B 77 -0.941 3.655 -5.764 1.00 0.64 H new ATOM 0 HA TRP B 77 -1.181 2.537 -3.261 1.00 0.65 H new ATOM 0 HB2 TRP B 77 0.868 3.484 -4.870 1.00 0.71 H new ATOM 0 HB3 TRP B 77 0.935 4.566 -3.493 1.00 0.71 H new ATOM 0 HD1 TRP B 77 1.426 3.562 -1.146 1.00 0.71 H new ATOM 0 HE1 TRP B 77 2.308 1.305 -0.297 1.00 0.70 H new ATOM 0 HE3 TRP B 77 1.170 0.931 -5.514 1.00 0.70 H new ATOM 0 HZ2 TRP B 77 3.129 -1.204 -1.467 1.00 0.68 H new ATOM 0 HZ3 TRP B 77 2.293 -1.264 -5.665 1.00 0.71 H new ATOM 0 HH2 TRP B 77 3.107 -2.405 -3.646 1.00 0.71 H new ATOM 2882 N ARG B 78 -1.143 5.817 -2.944 1.00 0.59 N ATOM 2883 CA ARG B 78 -1.582 6.893 -2.080 1.00 0.60 C ATOM 2884 C ARG B 78 -3.084 6.796 -1.763 1.00 0.60 C ATOM 2885 O ARG B 78 -3.439 6.887 -0.595 1.00 0.64 O ATOM 2886 CB ARG B 78 -1.121 8.241 -2.650 1.00 0.77 C ATOM 2887 CG ARG B 78 -1.662 8.627 -4.028 1.00 1.41 C ATOM 2888 CD ARG B 78 -0.831 9.808 -4.542 1.00 1.33 C ATOM 2889 NE ARG B 78 -1.394 10.386 -5.772 1.00 2.38 N ATOM 2890 CZ ARG B 78 -0.984 10.128 -7.025 1.00 3.45 C ATOM 2891 NH1 ARG B 78 -0.061 9.205 -7.291 1.00 4.05 N ATOM 2892 NH2 ARG B 78 -1.513 10.780 -8.061 1.00 4.66 N ATOM 0 H ARG B 78 -0.565 6.119 -3.728 1.00 0.59 H new ATOM 0 HA ARG B 78 -1.105 6.800 -1.104 1.00 0.60 H new ATOM 0 HB2 ARG B 78 -1.401 9.022 -1.944 1.00 0.77 H new ATOM 0 HB3 ARG B 78 -0.032 8.234 -2.702 1.00 0.77 H new ATOM 0 HG2 ARG B 78 -1.594 7.784 -4.715 1.00 1.41 H new ATOM 0 HG3 ARG B 78 -2.715 8.900 -3.962 1.00 1.41 H new ATOM 0 HD2 ARG B 78 -0.779 10.577 -3.771 1.00 1.33 H new ATOM 0 HD3 ARG B 78 0.190 9.477 -4.732 1.00 1.33 H new ATOM 0 HE ARG B 78 -2.167 11.043 -5.664 1.00 2.38 H new ATOM 0 HH11 ARG B 78 0.358 8.668 -6.531 1.00 4.05 H new ATOM 0 HH12 ARG B 78 0.227 9.035 -8.255 1.00 4.05 H new ATOM 0 HH21 ARG B 78 -2.236 11.482 -7.906 1.00 4.66 H new ATOM 0 HH22 ARG B 78 -1.194 10.576 -9.008 1.00 4.66 H new ATOM 2906 N LEU B 79 -3.958 6.525 -2.746 1.00 0.58 N ATOM 2907 CA LEU B 79 -5.393 6.396 -2.468 1.00 0.62 C ATOM 2908 C LEU B 79 -5.694 5.247 -1.493 1.00 0.62 C ATOM 2909 O LEU B 79 -6.527 5.413 -0.602 1.00 0.63 O ATOM 2910 CB LEU B 79 -6.238 6.231 -3.742 1.00 0.68 C ATOM 2911 CG LEU B 79 -6.520 7.527 -4.529 1.00 0.87 C ATOM 2912 CD1 LEU B 79 -5.330 8.479 -4.666 1.00 1.18 C ATOM 2913 CD2 LEU B 79 -7.045 7.182 -5.927 1.00 1.19 C ATOM 0 H LEU B 79 -3.700 6.393 -3.724 1.00 0.58 H new ATOM 0 HA LEU B 79 -5.678 7.337 -1.998 1.00 0.62 H new ATOM 0 HB2 LEU B 79 -5.731 5.529 -4.404 1.00 0.68 H new ATOM 0 HB3 LEU B 79 -7.191 5.779 -3.468 1.00 0.68 H new ATOM 0 HG LEU B 79 -7.264 8.061 -3.937 1.00 0.87 H new ATOM 0 HD11 LEU B 79 -5.631 9.359 -5.235 1.00 1.18 H new ATOM 0 HD12 LEU B 79 -4.993 8.785 -3.676 1.00 1.18 H new ATOM 0 HD13 LEU B 79 -4.517 7.972 -5.185 1.00 1.18 H new ATOM 0 HD21 LEU B 79 -7.243 8.101 -6.479 1.00 1.19 H new ATOM 0 HD22 LEU B 79 -6.300 6.592 -6.460 1.00 1.19 H new ATOM 0 HD23 LEU B 79 -7.967 6.607 -5.838 1.00 1.19 H new ATOM 2925 N ILE B 80 -5.075 4.069 -1.635 1.00 0.65 N ATOM 2926 CA ILE B 80 -5.356 3.000 -0.670 1.00 0.66 C ATOM 2927 C ILE B 80 -4.689 3.283 0.679 1.00 0.69 C ATOM 2928 O ILE B 80 -5.205 2.909 1.728 1.00 0.72 O ATOM 2929 CB ILE B 80 -5.072 1.586 -1.205 1.00 0.67 C ATOM 2930 CG1 ILE B 80 -3.593 1.236 -1.399 1.00 0.84 C ATOM 2931 CG2 ILE B 80 -5.785 1.374 -2.534 1.00 0.57 C ATOM 2932 CD1 ILE B 80 -3.314 -0.174 -0.859 1.00 0.74 C ATOM 0 H ILE B 80 -4.408 3.837 -2.371 1.00 0.65 H new ATOM 0 HA ILE B 80 -6.433 3.008 -0.505 1.00 0.66 H new ATOM 0 HB ILE B 80 -5.447 0.925 -0.424 1.00 0.67 H new ATOM 0 HG12 ILE B 80 -3.334 1.288 -2.456 1.00 0.84 H new ATOM 0 HG13 ILE B 80 -2.967 1.963 -0.882 1.00 0.84 H new ATOM 0 HG21 ILE B 80 -5.576 0.370 -2.903 1.00 0.57 H new ATOM 0 HG22 ILE B 80 -6.859 1.493 -2.394 1.00 0.57 H new ATOM 0 HG23 ILE B 80 -5.430 2.107 -3.258 1.00 0.57 H new ATOM 0 HD11 ILE B 80 -2.261 -0.416 -1.000 1.00 0.74 H new ATOM 0 HD12 ILE B 80 -3.555 -0.211 0.203 1.00 0.74 H new ATOM 0 HD13 ILE B 80 -3.928 -0.897 -1.396 1.00 0.74 H new ATOM 2944 N GLY B 81 -3.567 3.999 0.665 1.00 0.68 N ATOM 2945 CA GLY B 81 -3.008 4.617 1.856 1.00 0.69 C ATOM 2946 C GLY B 81 -4.045 5.489 2.556 1.00 0.67 C ATOM 2947 O GLY B 81 -4.224 5.410 3.771 1.00 0.72 O ATOM 0 H GLY B 81 -3.020 4.165 -0.180 1.00 0.68 H new ATOM 0 HA2 GLY B 81 -2.656 3.845 2.540 1.00 0.69 H new ATOM 0 HA3 GLY B 81 -2.143 5.222 1.585 1.00 0.69 H new ATOM 2951 N GLU B 82 -4.746 6.317 1.784 1.00 0.64 N ATOM 2952 CA GLU B 82 -5.876 7.071 2.278 1.00 0.66 C ATOM 2953 C GLU B 82 -6.936 6.113 2.847 1.00 0.73 C ATOM 2954 O GLU B 82 -7.310 6.256 4.009 1.00 0.84 O ATOM 2955 CB GLU B 82 -6.345 8.074 1.219 1.00 0.70 C ATOM 2956 CG GLU B 82 -5.289 9.170 1.026 1.00 0.77 C ATOM 2957 CD GLU B 82 -5.771 10.240 0.063 1.00 1.56 C ATOM 2958 OE1 GLU B 82 -6.203 9.858 -1.046 1.00 2.42 O ATOM 2959 OE2 GLU B 82 -5.747 11.413 0.492 1.00 2.62 O ATOM 0 H GLU B 82 -4.539 6.478 0.798 1.00 0.64 H new ATOM 0 HA GLU B 82 -5.603 7.698 3.127 1.00 0.66 H new ATOM 0 HB2 GLU B 82 -6.524 7.560 0.274 1.00 0.70 H new ATOM 0 HB3 GLU B 82 -7.292 8.520 1.524 1.00 0.70 H new ATOM 0 HG2 GLU B 82 -5.054 9.624 1.989 1.00 0.77 H new ATOM 0 HG3 GLU B 82 -4.367 8.727 0.649 1.00 0.77 H new ATOM 2966 N LEU B 83 -7.344 5.061 2.123 1.00 0.72 N ATOM 2967 CA LEU B 83 -8.246 4.057 2.707 1.00 0.87 C ATOM 2968 C LEU B 83 -7.769 3.559 4.077 1.00 0.93 C ATOM 2969 O LEU B 83 -8.566 3.506 5.017 1.00 1.02 O ATOM 2970 CB LEU B 83 -8.526 2.870 1.779 1.00 0.98 C ATOM 2971 CG LEU B 83 -9.322 3.266 0.532 1.00 1.39 C ATOM 2972 CD1 LEU B 83 -9.359 2.089 -0.442 1.00 2.42 C ATOM 2973 CD2 LEU B 83 -10.770 3.659 0.862 1.00 1.94 C ATOM 0 H LEU B 83 -7.072 4.885 1.156 1.00 0.72 H new ATOM 0 HA LEU B 83 -9.189 4.586 2.846 1.00 0.87 H new ATOM 0 HB2 LEU B 83 -7.580 2.423 1.474 1.00 0.98 H new ATOM 0 HB3 LEU B 83 -9.077 2.107 2.329 1.00 0.98 H new ATOM 0 HG LEU B 83 -8.822 4.130 0.094 1.00 1.39 H new ATOM 0 HD11 LEU B 83 -9.925 2.369 -1.330 1.00 2.42 H new ATOM 0 HD12 LEU B 83 -8.342 1.822 -0.729 1.00 2.42 H new ATOM 0 HD13 LEU B 83 -9.836 1.235 0.038 1.00 2.42 H new ATOM 0 HD21 LEU B 83 -11.291 3.931 -0.056 1.00 1.94 H new ATOM 0 HD22 LEU B 83 -11.278 2.816 1.332 1.00 1.94 H new ATOM 0 HD23 LEU B 83 -10.770 4.509 1.545 1.00 1.94 H new ATOM 2985 N ALA B 84 -6.480 3.221 4.216 1.00 0.90 N ATOM 2986 CA ALA B 84 -5.919 2.846 5.505 1.00 0.99 C ATOM 2987 C ALA B 84 -6.187 3.877 6.616 1.00 1.02 C ATOM 2988 O ALA B 84 -6.374 3.461 7.759 1.00 1.14 O ATOM 2989 CB ALA B 84 -4.426 2.528 5.374 1.00 1.00 C ATOM 0 H ALA B 84 -5.812 3.202 3.446 1.00 0.90 H new ATOM 0 HA ALA B 84 -6.440 1.941 5.819 1.00 0.99 H new ATOM 0 HB1 ALA B 84 -4.026 2.250 6.349 1.00 1.00 H new ATOM 0 HB2 ALA B 84 -4.290 1.701 4.677 1.00 1.00 H new ATOM 0 HB3 ALA B 84 -3.898 3.406 5.003 1.00 1.00 H new ATOM 2995 N LYS B 85 -6.187 5.191 6.349 1.00 1.00 N ATOM 2996 CA LYS B 85 -6.555 6.174 7.376 1.00 1.11 C ATOM 2997 C LYS B 85 -8.077 6.304 7.522 1.00 1.11 C ATOM 2998 O LYS B 85 -8.557 6.421 8.650 1.00 1.25 O ATOM 2999 CB LYS B 85 -5.839 7.530 7.224 1.00 1.38 C ATOM 3000 CG LYS B 85 -5.905 8.095 5.808 1.00 1.32 C ATOM 3001 CD LYS B 85 -5.401 9.537 5.662 1.00 1.50 C ATOM 3002 CE LYS B 85 -6.418 10.529 6.246 1.00 1.95 C ATOM 3003 NZ LYS B 85 -6.304 11.872 5.639 1.00 2.45 N ATOM 0 H LYS B 85 -5.940 5.593 5.444 1.00 1.00 H new ATOM 0 HA LYS B 85 -6.183 5.777 8.321 1.00 1.11 H new ATOM 0 HB2 LYS B 85 -6.284 8.247 7.914 1.00 1.38 H new ATOM 0 HB3 LYS B 85 -4.794 7.415 7.513 1.00 1.38 H new ATOM 0 HG2 LYS B 85 -5.320 7.453 5.149 1.00 1.32 H new ATOM 0 HG3 LYS B 85 -6.938 8.050 5.463 1.00 1.32 H new ATOM 0 HD2 LYS B 85 -4.444 9.647 6.172 1.00 1.50 H new ATOM 0 HD3 LYS B 85 -5.229 9.762 4.610 1.00 1.50 H new ATOM 0 HE2 LYS B 85 -7.427 10.146 6.089 1.00 1.95 H new ATOM 0 HE3 LYS B 85 -6.270 10.606 7.323 1.00 1.95 H new ATOM 0 HZ1 LYS B 85 -7.215 12.368 5.720 1.00 2.45 H new ATOM 0 HZ2 LYS B 85 -5.569 12.416 6.134 1.00 2.45 H new ATOM 0 HZ3 LYS B 85 -6.048 11.779 4.635 1.00 2.45 H new ATOM 3017 N GLU B 86 -8.838 6.272 6.419 1.00 1.02 N ATOM 3018 CA GLU B 86 -10.299 6.272 6.468 1.00 1.08 C ATOM 3019 C GLU B 86 -10.777 5.155 7.399 1.00 1.21 C ATOM 3020 O GLU B 86 -11.316 5.419 8.475 1.00 1.33 O ATOM 3021 CB GLU B 86 -10.912 6.080 5.069 1.00 1.04 C ATOM 3022 CG GLU B 86 -11.123 7.380 4.281 1.00 1.08 C ATOM 3023 CD GLU B 86 -9.841 8.007 3.793 1.00 2.08 C ATOM 3024 OE1 GLU B 86 -9.222 8.696 4.629 1.00 3.54 O ATOM 3025 OE2 GLU B 86 -9.557 7.862 2.578 1.00 2.35 O ATOM 0 H GLU B 86 -8.456 6.246 5.474 1.00 1.02 H new ATOM 0 HA GLU B 86 -10.626 7.240 6.847 1.00 1.08 H new ATOM 0 HB2 GLU B 86 -10.265 5.421 4.490 1.00 1.04 H new ATOM 0 HB3 GLU B 86 -11.872 5.574 5.173 1.00 1.04 H new ATOM 0 HG2 GLU B 86 -11.766 7.175 3.425 1.00 1.08 H new ATOM 0 HG3 GLU B 86 -11.650 8.096 4.912 1.00 1.08 H new ATOM 3032 N ILE B 87 -10.600 3.896 7.006 1.00 1.23 N ATOM 3033 CA ILE B 87 -11.206 2.792 7.729 1.00 1.24 C ATOM 3034 C ILE B 87 -10.333 2.503 8.953 1.00 1.25 C ATOM 3035 O ILE B 87 -9.148 2.188 8.836 1.00 1.34 O ATOM 3036 CB ILE B 87 -11.393 1.543 6.841 1.00 1.45 C ATOM 3037 CG1 ILE B 87 -11.934 1.823 5.428 1.00 2.37 C ATOM 3038 CG2 ILE B 87 -12.283 0.534 7.569 1.00 2.28 C ATOM 3039 CD1 ILE B 87 -13.240 2.606 5.434 1.00 3.38 C ATOM 0 H ILE B 87 -10.045 3.621 6.196 1.00 1.23 H new ATOM 0 HA ILE B 87 -12.212 3.068 8.047 1.00 1.24 H new ATOM 0 HB ILE B 87 -10.395 1.136 6.678 1.00 1.45 H new ATOM 0 HG12 ILE B 87 -11.186 2.379 4.862 1.00 2.37 H new ATOM 0 HG13 ILE B 87 -12.087 0.876 4.910 1.00 2.37 H new ATOM 0 HG21 ILE B 87 -12.417 -0.349 6.945 1.00 2.28 H new ATOM 0 HG22 ILE B 87 -11.813 0.246 8.509 1.00 2.28 H new ATOM 0 HG23 ILE B 87 -13.254 0.986 7.772 1.00 2.28 H new ATOM 0 HD11 ILE B 87 -13.570 2.772 4.408 1.00 3.38 H new ATOM 0 HD12 ILE B 87 -14.001 2.041 5.973 1.00 3.38 H new ATOM 0 HD13 ILE B 87 -13.086 3.567 5.925 1.00 3.38 H new ATOM 3051 N ARG B 88 -10.926 2.605 10.148 1.00 1.32 N ATOM 3052 CA ARG B 88 -10.213 2.425 11.412 1.00 1.42 C ATOM 3053 C ARG B 88 -10.087 0.929 11.696 1.00 1.41 C ATOM 3054 O ARG B 88 -10.588 0.410 12.691 1.00 1.74 O ATOM 3055 CB ARG B 88 -10.925 3.163 12.557 1.00 1.69 C ATOM 3056 CG ARG B 88 -10.619 4.666 12.543 1.00 2.01 C ATOM 3057 CD ARG B 88 -11.310 5.347 13.733 1.00 2.64 C ATOM 3058 NE ARG B 88 -10.860 6.740 13.901 1.00 3.45 N ATOM 3059 CZ ARG B 88 -11.259 7.556 14.895 1.00 4.47 C ATOM 3060 NH1 ARG B 88 -12.174 7.138 15.774 1.00 5.14 N ATOM 3061 NH2 ARG B 88 -10.740 8.786 15.001 1.00 5.47 N ATOM 0 H ARG B 88 -11.917 2.816 10.263 1.00 1.32 H new ATOM 0 HA ARG B 88 -9.215 2.857 11.336 1.00 1.42 H new ATOM 0 HB2 ARG B 88 -12.001 3.010 12.474 1.00 1.69 H new ATOM 0 HB3 ARG B 88 -10.615 2.738 13.512 1.00 1.69 H new ATOM 0 HG2 ARG B 88 -9.542 4.828 12.594 1.00 2.01 H new ATOM 0 HG3 ARG B 88 -10.964 5.108 11.608 1.00 2.01 H new ATOM 0 HD2 ARG B 88 -12.390 5.329 13.586 1.00 2.64 H new ATOM 0 HD3 ARG B 88 -11.103 4.785 14.644 1.00 2.64 H new ATOM 0 HE ARG B 88 -10.201 7.112 13.217 1.00 3.45 H new ATOM 0 HH11 ARG B 88 -12.570 6.201 15.692 1.00 5.14 H new ATOM 0 HH12 ARG B 88 -12.477 7.755 16.527 1.00 5.14 H new ATOM 0 HH21 ARG B 88 -10.042 9.105 14.329 1.00 5.47 H new ATOM 0 HH22 ARG B 88 -11.042 9.404 15.754 1.00 5.47 H new ATOM 3075 N LYS B 89 -9.380 0.242 10.802 1.00 1.24 N ATOM 3076 CA LYS B 89 -9.239 -1.196 10.835 1.00 1.30 C ATOM 3077 C LYS B 89 -8.384 -1.689 12.005 1.00 1.74 C ATOM 3078 O LYS B 89 -8.484 -2.857 12.366 1.00 1.92 O ATOM 3079 CB LYS B 89 -8.817 -1.723 9.458 1.00 1.53 C ATOM 3080 CG LYS B 89 -7.327 -1.721 9.092 1.00 1.81 C ATOM 3081 CD LYS B 89 -6.755 -0.363 8.652 1.00 2.20 C ATOM 3082 CE LYS B 89 -6.115 0.414 9.811 1.00 4.41 C ATOM 3083 NZ LYS B 89 -5.429 1.634 9.345 1.00 5.88 N ATOM 0 H LYS B 89 -8.885 0.683 10.027 1.00 1.24 H new ATOM 0 HA LYS B 89 -10.216 -1.633 11.042 1.00 1.30 H new ATOM 0 HB2 LYS B 89 -9.177 -2.748 9.372 1.00 1.53 H new ATOM 0 HB3 LYS B 89 -9.343 -1.137 8.705 1.00 1.53 H new ATOM 0 HG2 LYS B 89 -6.759 -2.073 9.953 1.00 1.81 H new ATOM 0 HG3 LYS B 89 -7.167 -2.440 8.289 1.00 1.81 H new ATOM 0 HD2 LYS B 89 -6.010 -0.523 7.872 1.00 2.20 H new ATOM 0 HD3 LYS B 89 -7.552 0.238 8.214 1.00 2.20 H new ATOM 0 HE2 LYS B 89 -6.884 0.684 10.535 1.00 4.41 H new ATOM 0 HE3 LYS B 89 -5.402 -0.228 10.328 1.00 4.41 H new ATOM 0 HZ1 LYS B 89 -4.779 1.971 10.084 1.00 5.88 H new ATOM 0 HZ2 LYS B 89 -4.890 1.421 8.481 1.00 5.88 H new ATOM 0 HZ3 LYS B 89 -6.133 2.372 9.141 1.00 5.88 H new ATOM 3097 N LYS B 90 -7.562 -0.829 12.632 1.00 2.04 N ATOM 3098 CA LYS B 90 -6.775 -1.217 13.803 1.00 2.59 C ATOM 3099 C LYS B 90 -7.650 -1.294 15.068 1.00 1.67 C ATOM 3100 O LYS B 90 -7.322 -0.704 16.094 1.00 2.02 O ATOM 3101 CB LYS B 90 -5.479 -0.379 13.938 1.00 4.09 C ATOM 3102 CG LYS B 90 -5.597 1.123 14.269 1.00 4.77 C ATOM 3103 CD LYS B 90 -4.186 1.752 14.337 1.00 6.54 C ATOM 3104 CE LYS B 90 -4.211 3.241 14.737 1.00 7.59 C ATOM 3105 NZ LYS B 90 -2.897 3.929 14.610 1.00 9.35 N ATOM 0 H LYS B 90 -7.429 0.140 12.342 1.00 2.04 H new ATOM 0 HA LYS B 90 -6.412 -2.235 13.657 1.00 2.59 H new ATOM 0 HB2 LYS B 90 -4.867 -0.841 14.713 1.00 4.09 H new ATOM 0 HB3 LYS B 90 -4.929 -0.468 13.001 1.00 4.09 H new ATOM 0 HG2 LYS B 90 -6.195 1.627 13.510 1.00 4.77 H new ATOM 0 HG3 LYS B 90 -6.112 1.257 15.220 1.00 4.77 H new ATOM 0 HD2 LYS B 90 -3.581 1.198 15.055 1.00 6.54 H new ATOM 0 HD3 LYS B 90 -3.701 1.650 13.366 1.00 6.54 H new ATOM 0 HE2 LYS B 90 -4.942 3.760 14.117 1.00 7.59 H new ATOM 0 HE3 LYS B 90 -4.553 3.323 15.769 1.00 7.59 H new ATOM 0 HZ1 LYS B 90 -2.827 4.678 15.328 1.00 9.35 H new ATOM 0 HZ2 LYS B 90 -2.130 3.241 14.752 1.00 9.35 H new ATOM 0 HZ3 LYS B 90 -2.815 4.349 13.662 1.00 9.35 H new ATOM 3119 N LYS B 91 -8.753 -2.047 14.980 1.00 1.48 N ATOM 3120 CA LYS B 91 -9.634 -2.444 16.067 1.00 2.18 C ATOM 3121 C LYS B 91 -10.640 -3.466 15.517 1.00 2.37 C ATOM 3122 O LYS B 91 -10.641 -4.616 15.948 1.00 3.01 O ATOM 3123 CB LYS B 91 -10.360 -1.223 16.664 1.00 3.12 C ATOM 3124 CG LYS B 91 -11.295 -1.622 17.815 1.00 3.78 C ATOM 3125 CD LYS B 91 -12.110 -0.409 18.286 1.00 4.59 C ATOM 3126 CE LYS B 91 -13.264 -0.804 19.222 1.00 5.29 C ATOM 3127 NZ LYS B 91 -14.345 -1.511 18.503 1.00 5.95 N ATOM 0 H LYS B 91 -9.068 -2.416 14.083 1.00 1.48 H new ATOM 0 HA LYS B 91 -9.051 -2.892 16.872 1.00 2.18 H new ATOM 0 HB2 LYS B 91 -9.625 -0.504 17.026 1.00 3.12 H new ATOM 0 HB3 LYS B 91 -10.936 -0.725 15.884 1.00 3.12 H new ATOM 0 HG2 LYS B 91 -11.967 -2.415 17.488 1.00 3.78 H new ATOM 0 HG3 LYS B 91 -10.711 -2.021 18.645 1.00 3.78 H new ATOM 0 HD2 LYS B 91 -11.451 0.290 18.801 1.00 4.59 H new ATOM 0 HD3 LYS B 91 -12.513 0.114 17.418 1.00 4.59 H new ATOM 0 HE2 LYS B 91 -12.882 -1.442 20.019 1.00 5.29 H new ATOM 0 HE3 LYS B 91 -13.669 0.090 19.696 1.00 5.29 H new ATOM 0 HZ1 LYS B 91 -15.171 -1.609 19.127 1.00 5.95 H new ATOM 0 HZ2 LYS B 91 -14.612 -0.968 17.657 1.00 5.95 H new ATOM 0 HZ3 LYS B 91 -14.013 -2.455 18.218 1.00 5.95 H new ATOM 3141 N ASP B 92 -11.478 -3.053 14.556 1.00 2.34 N ATOM 3142 CA ASP B 92 -12.671 -3.806 14.166 1.00 2.93 C ATOM 3143 C ASP B 92 -12.542 -4.305 12.725 1.00 2.22 C ATOM 3144 O ASP B 92 -13.383 -4.017 11.878 1.00 2.75 O ATOM 3145 CB ASP B 92 -13.906 -2.899 14.309 1.00 4.14 C ATOM 3146 CG ASP B 92 -14.167 -2.443 15.733 1.00 4.83 C ATOM 3147 OD1 ASP B 92 -14.125 -3.284 16.659 1.00 4.95 O ATOM 3148 OD2 ASP B 92 -14.384 -1.229 15.947 1.00 5.89 O ATOM 0 H ASP B 92 -11.346 -2.189 14.030 1.00 2.34 H new ATOM 0 HA ASP B 92 -12.779 -4.674 14.816 1.00 2.93 H new ATOM 0 HB2 ASP B 92 -13.777 -2.022 13.674 1.00 4.14 H new ATOM 0 HB3 ASP B 92 -14.782 -3.433 13.942 1.00 4.14 H new ATOM 3153 N LEU B 93 -11.488 -5.071 12.438 1.00 1.44 N ATOM 3154 CA LEU B 93 -11.204 -5.486 11.068 1.00 0.99 C ATOM 3155 C LEU B 93 -12.070 -6.684 10.680 1.00 0.91 C ATOM 3156 O LEU B 93 -12.952 -6.601 9.828 1.00 1.10 O ATOM 3157 CB LEU B 93 -9.706 -5.808 10.987 1.00 1.49 C ATOM 3158 CG LEU B 93 -9.137 -5.781 9.562 1.00 1.29 C ATOM 3159 CD1 LEU B 93 -7.702 -5.258 9.645 1.00 2.10 C ATOM 3160 CD2 LEU B 93 -9.165 -7.164 8.901 1.00 2.26 C ATOM 0 H LEU B 93 -10.823 -5.413 13.132 1.00 1.44 H new ATOM 0 HA LEU B 93 -11.445 -4.692 10.361 1.00 0.99 H new ATOM 0 HB2 LEU B 93 -9.158 -5.092 11.600 1.00 1.49 H new ATOM 0 HB3 LEU B 93 -9.533 -6.794 11.417 1.00 1.49 H new ATOM 0 HG LEU B 93 -9.754 -5.131 8.942 1.00 1.29 H new ATOM 0 HD11 LEU B 93 -7.268 -5.227 8.646 1.00 2.10 H new ATOM 0 HD12 LEU B 93 -7.704 -4.255 10.071 1.00 2.10 H new ATOM 0 HD13 LEU B 93 -7.110 -5.919 10.277 1.00 2.10 H new ATOM 0 HD21 LEU B 93 -8.753 -7.095 7.894 1.00 2.26 H new ATOM 0 HD22 LEU B 93 -8.569 -7.861 9.490 1.00 2.26 H new ATOM 0 HD23 LEU B 93 -10.193 -7.521 8.848 1.00 2.26 H new ATOM 3172 N LYS B 94 -11.874 -7.791 11.398 1.00 1.01 N ATOM 3173 CA LYS B 94 -12.517 -9.065 11.110 1.00 1.09 C ATOM 3174 C LYS B 94 -13.995 -9.056 11.510 1.00 1.26 C ATOM 3175 O LYS B 94 -14.770 -9.891 11.057 1.00 1.39 O ATOM 3176 CB LYS B 94 -11.700 -10.215 11.719 1.00 1.44 C ATOM 3177 CG LYS B 94 -10.352 -10.333 10.977 1.00 2.28 C ATOM 3178 CD LYS B 94 -9.651 -11.699 11.072 1.00 3.09 C ATOM 3179 CE LYS B 94 -8.840 -11.918 12.352 1.00 4.17 C ATOM 3180 NZ LYS B 94 -9.696 -11.939 13.552 1.00 5.25 N ATOM 0 H LYS B 94 -11.254 -7.824 12.207 1.00 1.01 H new ATOM 0 HA LYS B 94 -12.527 -9.232 10.033 1.00 1.09 H new ATOM 0 HB2 LYS B 94 -11.529 -10.033 12.780 1.00 1.44 H new ATOM 0 HB3 LYS B 94 -12.254 -11.151 11.641 1.00 1.44 H new ATOM 0 HG2 LYS B 94 -10.517 -10.103 9.924 1.00 2.28 H new ATOM 0 HG3 LYS B 94 -9.677 -9.572 11.367 1.00 2.28 H new ATOM 0 HD2 LYS B 94 -10.404 -12.484 10.997 1.00 3.09 H new ATOM 0 HD3 LYS B 94 -8.987 -11.811 10.215 1.00 3.09 H new ATOM 0 HE2 LYS B 94 -8.295 -12.859 12.279 1.00 4.17 H new ATOM 0 HE3 LYS B 94 -8.097 -11.126 12.450 1.00 4.17 H new ATOM 0 HZ1 LYS B 94 -9.213 -12.457 14.314 1.00 5.25 H new ATOM 0 HZ2 LYS B 94 -9.884 -10.964 13.861 1.00 5.25 H new ATOM 0 HZ3 LYS B 94 -10.595 -12.411 13.329 1.00 5.25 H new ATOM 3194 N ILE B 95 -14.391 -8.110 12.365 1.00 1.44 N ATOM 3195 CA ILE B 95 -15.784 -7.899 12.733 1.00 1.76 C ATOM 3196 C ILE B 95 -16.692 -7.805 11.498 1.00 1.76 C ATOM 3197 O ILE B 95 -17.826 -8.274 11.562 1.00 2.02 O ATOM 3198 CB ILE B 95 -15.904 -6.645 13.624 1.00 2.13 C ATOM 3199 CG1 ILE B 95 -15.028 -6.713 14.890 1.00 2.27 C ATOM 3200 CG2 ILE B 95 -17.365 -6.361 14.009 1.00 2.88 C ATOM 3201 CD1 ILE B 95 -15.369 -7.866 15.840 1.00 2.38 C ATOM 0 H ILE B 95 -13.745 -7.466 12.822 1.00 1.44 H new ATOM 0 HA ILE B 95 -16.125 -8.764 13.302 1.00 1.76 H new ATOM 0 HB ILE B 95 -15.531 -5.820 13.017 1.00 2.13 H new ATOM 0 HG12 ILE B 95 -13.984 -6.804 14.589 1.00 2.27 H new ATOM 0 HG13 ILE B 95 -15.123 -5.772 15.433 1.00 2.27 H new ATOM 0 HG21 ILE B 95 -17.409 -5.471 14.636 1.00 2.88 H new ATOM 0 HG22 ILE B 95 -17.954 -6.199 13.106 1.00 2.88 H new ATOM 0 HG23 ILE B 95 -17.769 -7.212 14.558 1.00 2.88 H new ATOM 0 HD11 ILE B 95 -14.703 -7.836 16.702 1.00 2.38 H new ATOM 0 HD12 ILE B 95 -16.402 -7.768 16.175 1.00 2.38 H new ATOM 0 HD13 ILE B 95 -15.245 -8.815 15.319 1.00 2.38 H new ATOM 3213 N ARG B 96 -16.197 -7.221 10.394 1.00 1.60 N ATOM 3214 CA ARG B 96 -16.895 -7.006 9.124 1.00 1.75 C ATOM 3215 C ARG B 96 -18.217 -6.222 9.237 1.00 2.22 C ATOM 3216 O ARG B 96 -18.847 -6.170 10.295 1.00 2.84 O ATOM 3217 CB ARG B 96 -16.937 -8.273 8.241 1.00 1.98 C ATOM 3218 CG ARG B 96 -17.555 -9.583 8.764 1.00 1.87 C ATOM 3219 CD ARG B 96 -19.084 -9.665 8.681 1.00 2.35 C ATOM 3220 NE ARG B 96 -19.697 -8.800 9.687 1.00 3.19 N ATOM 3221 CZ ARG B 96 -20.948 -8.341 9.689 1.00 3.97 C ATOM 3222 NH1 ARG B 96 -21.869 -8.887 8.888 1.00 3.89 N ATOM 3223 NH2 ARG B 96 -21.248 -7.312 10.485 1.00 5.55 N ATOM 0 H ARG B 96 -15.241 -6.867 10.367 1.00 1.60 H new ATOM 0 HA ARG B 96 -16.273 -6.309 8.563 1.00 1.75 H new ATOM 0 HB2 ARG B 96 -17.472 -8.009 7.329 1.00 1.98 H new ATOM 0 HB3 ARG B 96 -15.909 -8.497 7.954 1.00 1.98 H new ATOM 0 HG2 ARG B 96 -17.132 -10.415 8.201 1.00 1.87 H new ATOM 0 HG3 ARG B 96 -17.256 -9.717 9.804 1.00 1.87 H new ATOM 0 HD2 ARG B 96 -19.417 -9.369 7.686 1.00 2.35 H new ATOM 0 HD3 ARG B 96 -19.408 -10.695 8.832 1.00 2.35 H new ATOM 0 HE ARG B 96 -19.106 -8.518 10.469 1.00 3.19 H new ATOM 0 HH11 ARG B 96 -21.615 -9.659 8.271 1.00 3.89 H new ATOM 0 HH12 ARG B 96 -22.825 -8.532 8.894 1.00 3.89 H new ATOM 0 HH21 ARG B 96 -20.527 -6.895 11.074 1.00 5.55 H new ATOM 0 HH22 ARG B 96 -22.199 -6.942 10.504 1.00 5.55 H new