USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=45 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: A 48 HIS : no HE2:sc= -4.35! C(o=-3.6!,f=-8.1!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 157:sc= 0.714 (180deg=-0.968) USER MOD Set 2.1: A 55 SER OG : rot -140:sc= 1.03 USER MOD Set 2.2: A 85 LYS NZ :NH3+ -164:sc= 1.2 (180deg=-0.0463) USER MOD Set 3.1: A 74 ASN : amide:sc= 0.804 K(o=1.9,f=-10!) USER MOD Set 3.2: B 85 LYS NZ :NH3+ -159:sc= 1.11 (180deg=0.00285) USER MOD Set 4.1: A 36 ASN : amide:sc= 0.925 K(o=1,f=-7.7!) USER MOD Set 4.2: A 39 LYS NZ :NH3+ -170:sc= -0.658 (180deg=-1.13) USER MOD Set 4.3: A 67 GLN : amide:sc= 0.736 K(o=1,f=-7.7) USER MOD Set 5.1: A 18 THR OG1 : rot 65:sc= 1.24 USER MOD Set 5.2: B 94 LYS NZ :NH3+ 152:sc= 1.84 (180deg=-2.58!) USER MOD Single : A 7 THR OG1 : rot 133:sc= 1 USER MOD Single : A 12 SER OG : rot 96:sc= 0.531 USER MOD Single : A 15 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 19 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 22 THR OG1 : rot 73:sc= 0.398 USER MOD Single : A 32 SER OG : rot -64:sc= 1.49 USER MOD Single : A 34 SER OG : rot 86:sc= 1.26 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.81 X(o=-0.81,f=-0.77) USER MOD Single : A 45 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0.271 (180deg=-0.268!) USER MOD Single : A 59 LYS NZ :NH3+ -141:sc= 0.166! (180deg=-5.96!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 2.41 (180deg=2.04) USER MOD Single : A 62 SER OG : rot 79:sc= 0.984 USER MOD Single : A 66 ASN : amide:sc= 0.791 K(o=0.79,f=-0.22) USER MOD Single : A 69 SER OG : rot -92:sc= 0.603 USER MOD Single : A 72 LYS NZ :NH3+ -148:sc= 1.83 (180deg=-0.309!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= 0.727 (180deg=0.519) USER MOD Single : A 91 LYS NZ :NH3+ -131:sc= 0.855 (180deg=-1.74!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 2.29 (180deg=2.29) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 SER OG : rot 69:sc= 0.789 USER MOD Single : B 15 THR OG1 : rot 84:sc= 1.21 USER MOD Single : B 18 THR OG1 : rot 86:sc= 0.919 USER MOD Single : B 19 THR OG1 : rot 83:sc= 1.15 USER MOD Single : B 22 THR OG1 : rot 80:sc= 1.01 USER MOD Single : B 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0137) USER MOD Single : B 32 SER OG : rot -97:sc= 0.751 USER MOD Single : B 34 SER OG : rot 79:sc= 1.29 USER MOD Single : B 36 ASN : amide:sc= -0.533 K(o=-0.53,f=-8.1!) USER MOD Single : B 39 LYS NZ :NH3+ -165:sc= 1.3 (180deg=1.05) USER MOD Single : B 43 THR OG1 : rot -32:sc= 0.207 USER MOD Single : B 44 GLN : amide:sc= -0.0289 K(o=-0.029,f=-0.99) USER MOD Single : B 45 GLN : amide:sc= -0.525 K(o=-0.53,f=-3.3!) USER MOD Single : B 48 HIS : no HD1:sc= -0.439 K(o=-0.44,f=-1.8) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot 65:sc= 1.05 USER MOD Single : B 59 LYS NZ :NH3+ -135:sc= -0.876! (180deg=-1.56!) USER MOD Single : B 60 MET CE :methyl 172:sc= 0 (180deg=-0.0534) USER MOD Single : B 61 LYS NZ :NH3+ 139:sc= -0.0268 (180deg=-1) USER MOD Single : B 62 SER OG : rot -129:sc= 1.21 USER MOD Single : B 66 ASN : amide:sc= 0.798 K(o=0.8,f=-1.8!) USER MOD Single : B 67 GLN : amide:sc= -0.5 K(o=-0.5,f=-3.5!) USER MOD Single : B 69 SER OG : rot -51:sc= 0.109 USER MOD Single : B 72 LYS NZ :NH3+ -171:sc= 1.29 (180deg=0.964) USER MOD Single : B 74 ASN : amide:sc= 0.525 K(o=0.53,f=-6.2!) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ -145:sc= 0.73 (180deg=-0.551!) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -13.815 -13.155 8.737 1.00 1.26 N ATOM 41 CA GLU A 4 -14.450 -11.875 8.435 1.00 1.32 C ATOM 42 C GLU A 4 -14.898 -11.811 6.978 1.00 1.40 C ATOM 43 O GLU A 4 -14.529 -12.680 6.188 1.00 1.39 O ATOM 44 CB GLU A 4 -13.428 -10.769 8.727 1.00 1.33 C ATOM 45 CG GLU A 4 -12.109 -10.901 7.957 1.00 1.66 C ATOM 46 CD GLU A 4 -11.283 -12.087 8.434 1.00 3.43 C ATOM 47 OE1 GLU A 4 -10.885 -12.111 9.617 1.00 4.18 O ATOM 48 OE2 GLU A 4 -11.259 -13.078 7.678 1.00 4.73 O ATOM 0 HA GLU A 4 -15.341 -11.750 9.050 1.00 1.32 H new ATOM 0 HB2 GLU A 4 -13.878 -9.805 8.489 1.00 1.33 H new ATOM 0 HB3 GLU A 4 -13.211 -10.765 9.795 1.00 1.33 H new ATOM 0 HG2 GLU A 4 -12.320 -11.011 6.893 1.00 1.66 H new ATOM 0 HG3 GLU A 4 -11.529 -9.986 8.073 1.00 1.66 H new ATOM 55 N PRO A 5 -15.643 -10.766 6.579 1.00 1.90 N ATOM 56 CA PRO A 5 -15.816 -10.434 5.177 1.00 2.30 C ATOM 57 C PRO A 5 -14.498 -9.896 4.585 1.00 2.05 C ATOM 58 O PRO A 5 -14.361 -8.712 4.287 1.00 2.72 O ATOM 59 CB PRO A 5 -16.983 -9.442 5.148 1.00 3.09 C ATOM 60 CG PRO A 5 -16.858 -8.720 6.488 1.00 3.17 C ATOM 61 CD PRO A 5 -16.412 -9.849 7.415 1.00 2.30 C ATOM 0 HA PRO A 5 -16.053 -11.292 4.548 1.00 2.30 H new ATOM 0 HB2 PRO A 5 -16.904 -8.751 4.309 1.00 3.09 H new ATOM 0 HB3 PRO A 5 -17.942 -9.951 5.052 1.00 3.09 H new ATOM 0 HG2 PRO A 5 -16.128 -7.911 6.449 1.00 3.17 H new ATOM 0 HG3 PRO A 5 -17.804 -8.281 6.805 1.00 3.17 H new ATOM 0 HD2 PRO A 5 -15.806 -9.465 8.236 1.00 2.30 H new ATOM 0 HD3 PRO A 5 -17.270 -10.352 7.861 1.00 2.30 H new ATOM 69 N LEU A 6 -13.565 -10.825 4.363 1.00 1.29 N ATOM 70 CA LEU A 6 -12.277 -10.677 3.688 1.00 1.15 C ATOM 71 C LEU A 6 -12.427 -10.637 2.153 1.00 1.17 C ATOM 72 O LEU A 6 -13.331 -11.281 1.623 1.00 1.90 O ATOM 73 CB LEU A 6 -11.336 -9.633 4.322 1.00 1.18 C ATOM 74 CG LEU A 6 -9.846 -10.063 4.426 1.00 1.70 C ATOM 75 CD1 LEU A 6 -9.455 -10.297 5.888 1.00 2.62 C ATOM 76 CD2 LEU A 6 -9.419 -11.338 3.672 1.00 2.26 C ATOM 0 H LEU A 6 -13.706 -11.784 4.680 1.00 1.29 H new ATOM 0 HA LEU A 6 -11.717 -11.593 3.874 1.00 1.15 H new ATOM 0 HB2 LEU A 6 -11.393 -8.714 3.738 1.00 1.18 H new ATOM 0 HB3 LEU A 6 -11.701 -9.398 5.322 1.00 1.18 H new ATOM 0 HG LEU A 6 -9.338 -9.224 3.950 1.00 1.70 H new ATOM 0 HD11 LEU A 6 -8.409 -10.597 5.941 1.00 2.62 H new ATOM 0 HD12 LEU A 6 -9.598 -9.377 6.455 1.00 2.62 H new ATOM 0 HD13 LEU A 6 -10.080 -11.084 6.310 1.00 2.62 H new ATOM 0 HD21 LEU A 6 -8.356 -11.517 3.833 1.00 2.26 H new ATOM 0 HD22 LEU A 6 -9.991 -12.189 4.043 1.00 2.26 H new ATOM 0 HD23 LEU A 6 -9.608 -11.211 2.606 1.00 2.26 H new ATOM 88 N THR A 7 -11.557 -9.900 1.443 1.00 0.91 N ATOM 89 CA THR A 7 -11.581 -9.753 -0.013 1.00 1.17 C ATOM 90 C THR A 7 -10.140 -9.619 -0.525 1.00 1.04 C ATOM 91 O THR A 7 -9.278 -9.177 0.227 1.00 0.86 O ATOM 92 CB THR A 7 -12.396 -8.507 -0.416 1.00 1.59 C ATOM 93 OG1 THR A 7 -13.452 -8.228 0.483 1.00 2.36 O ATOM 94 CG2 THR A 7 -12.973 -8.689 -1.820 1.00 2.10 C ATOM 0 H THR A 7 -10.799 -9.378 1.882 1.00 0.91 H new ATOM 0 HA THR A 7 -12.052 -10.631 -0.455 1.00 1.17 H new ATOM 0 HB THR A 7 -11.707 -7.663 -0.391 1.00 1.59 H new ATOM 0 HG1 THR A 7 -13.442 -7.276 0.715 1.00 2.36 H new ATOM 0 HG21 THR A 7 -13.547 -7.804 -2.095 1.00 2.10 H new ATOM 0 HG22 THR A 7 -12.160 -8.830 -2.532 1.00 2.10 H new ATOM 0 HG23 THR A 7 -13.624 -9.563 -1.835 1.00 2.10 H new ATOM 102 N GLU A 8 -9.880 -9.953 -1.793 1.00 1.44 N ATOM 103 CA GLU A 8 -8.544 -10.035 -2.387 1.00 1.62 C ATOM 104 C GLU A 8 -7.695 -8.777 -2.178 1.00 1.36 C ATOM 105 O GLU A 8 -6.605 -8.850 -1.619 1.00 1.48 O ATOM 106 CB GLU A 8 -8.626 -10.371 -3.889 1.00 2.05 C ATOM 107 CG GLU A 8 -9.570 -11.532 -4.238 1.00 2.64 C ATOM 108 CD GLU A 8 -10.999 -11.054 -4.455 1.00 3.56 C ATOM 109 OE1 GLU A 8 -11.733 -11.028 -3.444 1.00 4.25 O ATOM 110 OE2 GLU A 8 -11.309 -10.660 -5.598 1.00 4.27 O ATOM 0 H GLU A 8 -10.621 -10.181 -2.456 1.00 1.44 H new ATOM 0 HA GLU A 8 -8.040 -10.843 -1.857 1.00 1.62 H new ATOM 0 HB2 GLU A 8 -8.951 -9.482 -4.429 1.00 2.05 H new ATOM 0 HB3 GLU A 8 -7.626 -10.614 -4.248 1.00 2.05 H new ATOM 0 HG2 GLU A 8 -9.213 -12.032 -5.139 1.00 2.64 H new ATOM 0 HG3 GLU A 8 -9.551 -12.269 -3.435 1.00 2.64 H new ATOM 117 N LEU A 9 -8.150 -7.615 -2.657 1.00 1.12 N ATOM 118 CA LEU A 9 -7.312 -6.417 -2.564 1.00 1.07 C ATOM 119 C LEU A 9 -7.225 -5.941 -1.112 1.00 1.08 C ATOM 120 O LEU A 9 -6.142 -5.580 -0.647 1.00 1.17 O ATOM 121 CB LEU A 9 -7.676 -5.295 -3.555 1.00 1.37 C ATOM 122 CG LEU A 9 -9.141 -5.177 -4.004 1.00 1.23 C ATOM 123 CD1 LEU A 9 -9.389 -3.728 -4.447 1.00 2.99 C ATOM 124 CD2 LEU A 9 -9.438 -6.100 -5.199 1.00 1.80 C ATOM 0 H LEU A 9 -9.060 -7.479 -3.098 1.00 1.12 H new ATOM 0 HA LEU A 9 -6.313 -6.711 -2.886 1.00 1.07 H new ATOM 0 HB2 LEU A 9 -7.387 -4.345 -3.105 1.00 1.37 H new ATOM 0 HB3 LEU A 9 -7.063 -5.425 -4.447 1.00 1.37 H new ATOM 0 HG LEU A 9 -9.785 -5.464 -3.173 1.00 1.23 H new ATOM 0 HD11 LEU A 9 -10.424 -3.619 -4.771 1.00 2.99 H new ATOM 0 HD12 LEU A 9 -9.197 -3.054 -3.612 1.00 2.99 H new ATOM 0 HD13 LEU A 9 -8.722 -3.481 -5.273 1.00 2.99 H new ATOM 0 HD21 LEU A 9 -10.483 -5.992 -5.491 1.00 1.80 H new ATOM 0 HD22 LEU A 9 -8.797 -5.828 -6.037 1.00 1.80 H new ATOM 0 HD23 LEU A 9 -9.246 -7.135 -4.916 1.00 1.80 H new ATOM 136 N GLU A 10 -8.350 -6.007 -0.386 1.00 1.04 N ATOM 137 CA GLU A 10 -8.371 -5.823 1.063 1.00 1.05 C ATOM 138 C GLU A 10 -7.270 -6.676 1.692 1.00 1.09 C ATOM 139 O GLU A 10 -6.511 -6.174 2.509 1.00 1.10 O ATOM 140 CB GLU A 10 -9.783 -6.085 1.606 1.00 1.15 C ATOM 141 CG GLU A 10 -10.043 -5.860 3.109 1.00 1.23 C ATOM 142 CD GLU A 10 -9.811 -4.465 3.706 1.00 2.30 C ATOM 143 OE1 GLU A 10 -8.816 -3.781 3.395 1.00 3.69 O ATOM 144 OE2 GLU A 10 -10.598 -4.046 4.585 1.00 2.79 O ATOM 0 H GLU A 10 -9.268 -6.190 -0.791 1.00 1.04 H new ATOM 0 HA GLU A 10 -8.148 -4.792 1.336 1.00 1.05 H new ATOM 0 HB2 GLU A 10 -10.475 -5.452 1.051 1.00 1.15 H new ATOM 0 HB3 GLU A 10 -10.041 -7.119 1.375 1.00 1.15 H new ATOM 0 HG2 GLU A 10 -11.079 -6.134 3.308 1.00 1.23 H new ATOM 0 HG3 GLU A 10 -9.416 -6.561 3.660 1.00 1.23 H new ATOM 151 N GLU A 11 -7.075 -7.897 1.192 1.00 1.24 N ATOM 152 CA GLU A 11 -5.996 -8.807 1.541 1.00 1.45 C ATOM 153 C GLU A 11 -4.678 -8.068 1.788 1.00 1.15 C ATOM 154 O GLU A 11 -4.054 -8.197 2.843 1.00 1.14 O ATOM 155 CB GLU A 11 -6.446 -9.738 2.667 1.00 1.04 C ATOM 156 CG GLU A 11 -5.615 -11.026 2.766 1.00 1.03 C ATOM 157 CD GLU A 11 -5.858 -11.950 1.579 1.00 2.26 C ATOM 158 OE1 GLU A 11 -6.913 -12.620 1.592 1.00 3.54 O ATOM 159 OE2 GLU A 11 -4.992 -11.957 0.678 1.00 2.85 O ATOM 0 H GLU A 11 -7.704 -8.295 0.494 1.00 1.24 H new ATOM 0 HA GLU A 11 -5.769 -9.452 0.692 1.00 1.45 H new ATOM 0 HB2 GLU A 11 -6.387 -9.203 3.615 1.00 1.04 H new ATOM 0 HB3 GLU A 11 -7.493 -10.001 2.514 1.00 1.04 H new ATOM 0 HG2 GLU A 11 -4.556 -10.772 2.818 1.00 1.03 H new ATOM 0 HG3 GLU A 11 -5.863 -11.548 3.690 1.00 1.03 H new ATOM 166 N SER A 12 -4.271 -7.225 0.835 1.00 1.01 N ATOM 167 CA SER A 12 -2.968 -6.587 0.920 1.00 0.85 C ATOM 168 C SER A 12 -2.993 -5.564 2.054 1.00 0.71 C ATOM 169 O SER A 12 -2.067 -5.454 2.857 1.00 0.71 O ATOM 170 CB SER A 12 -2.648 -5.935 -0.428 1.00 0.91 C ATOM 171 OG SER A 12 -1.378 -5.312 -0.383 1.00 2.04 O ATOM 0 H SER A 12 -4.819 -6.976 0.012 1.00 1.01 H new ATOM 0 HA SER A 12 -2.187 -7.315 1.138 1.00 0.85 H new ATOM 0 HB2 SER A 12 -2.664 -6.687 -1.216 1.00 0.91 H new ATOM 0 HB3 SER A 12 -3.413 -5.199 -0.674 1.00 0.91 H new ATOM 0 HG SER A 12 -0.702 -5.921 -0.747 1.00 2.04 H new ATOM 177 N ILE A 13 -4.091 -4.818 2.116 1.00 0.72 N ATOM 178 CA ILE A 13 -4.273 -3.685 2.996 1.00 0.67 C ATOM 179 C ILE A 13 -4.246 -4.160 4.439 1.00 0.69 C ATOM 180 O ILE A 13 -3.450 -3.706 5.261 1.00 0.67 O ATOM 181 CB ILE A 13 -5.635 -3.058 2.670 1.00 0.74 C ATOM 182 CG1 ILE A 13 -5.607 -2.598 1.204 1.00 0.89 C ATOM 183 CG2 ILE A 13 -6.017 -1.884 3.587 1.00 0.73 C ATOM 184 CD1 ILE A 13 -6.934 -2.055 0.724 1.00 0.68 C ATOM 0 H ILE A 13 -4.906 -4.999 1.529 1.00 0.72 H new ATOM 0 HA ILE A 13 -3.479 -2.951 2.859 1.00 0.67 H new ATOM 0 HB ILE A 13 -6.398 -3.818 2.839 1.00 0.74 H new ATOM 0 HG12 ILE A 13 -4.843 -1.829 1.086 1.00 0.89 H new ATOM 0 HG13 ILE A 13 -5.315 -3.437 0.572 1.00 0.89 H new ATOM 0 HG21 ILE A 13 -6.992 -1.495 3.293 1.00 0.73 H new ATOM 0 HG22 ILE A 13 -6.060 -2.228 4.620 1.00 0.73 H new ATOM 0 HG23 ILE A 13 -5.270 -1.095 3.498 1.00 0.73 H new ATOM 0 HD11 ILE A 13 -6.846 -1.748 -0.318 1.00 0.68 H new ATOM 0 HD12 ILE A 13 -7.697 -2.829 0.811 1.00 0.68 H new ATOM 0 HD13 ILE A 13 -7.217 -1.196 1.333 1.00 0.68 H new ATOM 196 N GLU A 14 -5.171 -5.074 4.709 1.00 0.83 N ATOM 197 CA GLU A 14 -5.363 -5.776 5.951 1.00 1.05 C ATOM 198 C GLU A 14 -4.010 -6.348 6.393 1.00 1.09 C ATOM 199 O GLU A 14 -3.584 -6.122 7.525 1.00 1.15 O ATOM 200 CB GLU A 14 -6.510 -6.774 5.723 1.00 1.48 C ATOM 201 CG GLU A 14 -6.241 -8.214 6.093 1.00 1.38 C ATOM 202 CD GLU A 14 -6.090 -8.443 7.586 1.00 2.06 C ATOM 203 OE1 GLU A 14 -6.965 -7.972 8.344 1.00 2.98 O ATOM 204 OE2 GLU A 14 -5.123 -9.110 8.014 1.00 2.84 O ATOM 0 H GLU A 14 -5.853 -5.357 4.005 1.00 0.83 H new ATOM 0 HA GLU A 14 -5.676 -5.155 6.791 1.00 1.05 H new ATOM 0 HB2 GLU A 14 -7.376 -6.433 6.291 1.00 1.48 H new ATOM 0 HB3 GLU A 14 -6.786 -6.740 4.669 1.00 1.48 H new ATOM 0 HG2 GLU A 14 -7.056 -8.834 5.720 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -5.333 -8.545 5.590 1.00 1.38 H new ATOM 211 N THR A 15 -3.285 -6.996 5.475 1.00 1.06 N ATOM 212 CA THR A 15 -1.953 -7.506 5.771 1.00 1.08 C ATOM 213 C THR A 15 -1.016 -6.373 6.195 1.00 1.02 C ATOM 214 O THR A 15 -0.364 -6.502 7.228 1.00 1.14 O ATOM 215 CB THR A 15 -1.390 -8.353 4.620 1.00 1.06 C ATOM 216 OG1 THR A 15 -2.238 -9.460 4.402 1.00 1.18 O ATOM 217 CG2 THR A 15 -0.009 -8.919 4.965 1.00 1.13 C ATOM 0 H THR A 15 -3.603 -7.177 4.523 1.00 1.06 H new ATOM 0 HA THR A 15 -2.034 -8.184 6.621 1.00 1.08 H new ATOM 0 HB THR A 15 -1.320 -7.709 3.743 1.00 1.06 H new ATOM 0 HG1 THR A 15 -3.045 -9.166 3.930 1.00 1.18 H new ATOM 0 HG21 THR A 15 0.360 -9.513 4.129 1.00 1.13 H new ATOM 0 HG22 THR A 15 0.682 -8.099 5.160 1.00 1.13 H new ATOM 0 HG23 THR A 15 -0.085 -9.548 5.852 1.00 1.13 H new ATOM 225 N VAL A 16 -0.935 -5.256 5.462 1.00 0.87 N ATOM 226 CA VAL A 16 -0.095 -4.137 5.870 1.00 0.85 C ATOM 227 C VAL A 16 -0.437 -3.702 7.300 1.00 0.91 C ATOM 228 O VAL A 16 0.446 -3.606 8.152 1.00 0.99 O ATOM 229 CB VAL A 16 -0.209 -2.974 4.865 1.00 0.75 C ATOM 230 CG1 VAL A 16 0.413 -1.707 5.447 1.00 0.78 C ATOM 231 CG2 VAL A 16 0.497 -3.304 3.548 1.00 0.74 C ATOM 0 H VAL A 16 -1.440 -5.109 4.588 1.00 0.87 H new ATOM 0 HA VAL A 16 0.946 -4.459 5.869 1.00 0.85 H new ATOM 0 HB VAL A 16 -1.270 -2.816 4.671 1.00 0.75 H new ATOM 0 HG11 VAL A 16 0.325 -0.894 4.726 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.107 -1.435 6.366 1.00 0.78 H new ATOM 0 HG13 VAL A 16 1.466 -1.886 5.666 1.00 0.78 H new ATOM 0 HG21 VAL A 16 0.398 -2.463 2.861 1.00 0.74 H new ATOM 0 HG22 VAL A 16 1.553 -3.494 3.739 1.00 0.74 H new ATOM 0 HG23 VAL A 16 0.044 -4.190 3.104 1.00 0.74 H new ATOM 241 N VAL A 17 -1.709 -3.426 7.586 1.00 0.91 N ATOM 242 CA VAL A 17 -2.078 -2.936 8.911 1.00 1.00 C ATOM 243 C VAL A 17 -1.814 -3.970 10.013 1.00 1.18 C ATOM 244 O VAL A 17 -1.278 -3.625 11.069 1.00 1.28 O ATOM 245 CB VAL A 17 -3.482 -2.314 8.937 1.00 0.88 C ATOM 246 CG1 VAL A 17 -3.539 -1.082 8.021 1.00 0.67 C ATOM 247 CG2 VAL A 17 -4.560 -3.302 8.502 1.00 0.94 C ATOM 0 H VAL A 17 -2.486 -3.531 6.933 1.00 0.91 H new ATOM 0 HA VAL A 17 -1.408 -2.109 9.147 1.00 1.00 H new ATOM 0 HB VAL A 17 -3.678 -2.026 9.970 1.00 0.88 H new ATOM 0 HG11 VAL A 17 -4.540 -0.653 8.050 1.00 0.67 H new ATOM 0 HG12 VAL A 17 -2.816 -0.341 8.363 1.00 0.67 H new ATOM 0 HG13 VAL A 17 -3.301 -1.377 6.999 1.00 0.67 H new ATOM 0 HG21 VAL A 17 -5.535 -2.816 8.537 1.00 0.94 H new ATOM 0 HG22 VAL A 17 -4.358 -3.637 7.485 1.00 0.94 H new ATOM 0 HG23 VAL A 17 -4.559 -4.161 9.173 1.00 0.94 H new ATOM 257 N THR A 18 -2.112 -5.247 9.765 1.00 1.27 N ATOM 258 CA THR A 18 -1.759 -6.300 10.710 1.00 1.48 C ATOM 259 C THR A 18 -0.227 -6.342 10.872 1.00 1.52 C ATOM 260 O THR A 18 0.278 -6.495 11.980 1.00 1.64 O ATOM 261 CB THR A 18 -2.430 -7.638 10.314 1.00 1.62 C ATOM 262 OG1 THR A 18 -3.108 -8.217 11.418 1.00 1.99 O ATOM 263 CG2 THR A 18 -1.446 -8.669 9.749 1.00 1.61 C ATOM 0 H THR A 18 -2.592 -5.572 8.926 1.00 1.27 H new ATOM 0 HA THR A 18 -2.155 -6.089 11.703 1.00 1.48 H new ATOM 0 HB THR A 18 -3.138 -7.382 9.526 1.00 1.62 H new ATOM 0 HG1 THR A 18 -3.855 -7.641 11.682 1.00 1.99 H new ATOM 0 HG21 THR A 18 -1.983 -9.582 9.492 1.00 1.61 H new ATOM 0 HG22 THR A 18 -0.969 -8.265 8.856 1.00 1.61 H new ATOM 0 HG23 THR A 18 -0.685 -8.893 10.497 1.00 1.61 H new ATOM 271 N THR A 19 0.533 -6.127 9.793 1.00 1.40 N ATOM 272 CA THR A 19 1.987 -6.059 9.844 1.00 1.36 C ATOM 273 C THR A 19 2.436 -4.874 10.719 1.00 1.39 C ATOM 274 O THR A 19 3.322 -5.055 11.550 1.00 1.47 O ATOM 275 CB THR A 19 2.576 -6.068 8.430 1.00 1.32 C ATOM 276 OG1 THR A 19 2.190 -7.260 7.780 1.00 1.88 O ATOM 277 CG2 THR A 19 4.104 -6.043 8.457 1.00 1.45 C ATOM 0 H THR A 19 0.149 -5.995 8.857 1.00 1.40 H new ATOM 0 HA THR A 19 2.387 -6.950 10.328 1.00 1.36 H new ATOM 0 HB THR A 19 2.208 -5.182 7.913 1.00 1.32 H new ATOM 0 HG1 THR A 19 1.256 -7.188 7.491 1.00 1.88 H new ATOM 0 HG21 THR A 19 4.486 -6.050 7.436 1.00 1.45 H new ATOM 0 HG22 THR A 19 4.444 -5.141 8.965 1.00 1.45 H new ATOM 0 HG23 THR A 19 4.473 -6.920 8.989 1.00 1.45 H new ATOM 285 N PHE A 20 1.813 -3.686 10.611 1.00 1.37 N ATOM 286 CA PHE A 20 2.056 -2.608 11.581 1.00 1.48 C ATOM 287 C PHE A 20 1.791 -3.110 13.003 1.00 1.77 C ATOM 288 O PHE A 20 2.555 -2.807 13.918 1.00 1.92 O ATOM 289 CB PHE A 20 1.204 -1.346 11.338 1.00 1.43 C ATOM 290 CG PHE A 20 1.569 -0.491 10.139 1.00 1.18 C ATOM 291 CD1 PHE A 20 2.838 0.114 10.054 1.00 1.40 C ATOM 292 CD2 PHE A 20 0.574 -0.113 9.219 1.00 2.09 C ATOM 293 CE1 PHE A 20 3.179 0.862 8.914 1.00 1.37 C ATOM 294 CE2 PHE A 20 0.909 0.630 8.078 1.00 2.04 C ATOM 295 CZ PHE A 20 2.219 1.102 7.917 1.00 1.02 C ATOM 0 H PHE A 20 1.148 -3.452 9.873 1.00 1.37 H new ATOM 0 HA PHE A 20 3.100 -2.324 11.450 1.00 1.48 H new ATOM 0 HB2 PHE A 20 0.164 -1.654 11.231 1.00 1.43 H new ATOM 0 HB3 PHE A 20 1.261 -0.722 12.230 1.00 1.43 H new ATOM 0 HD1 PHE A 20 3.546 0.004 10.862 1.00 1.40 H new ATOM 0 HD2 PHE A 20 -0.454 -0.397 9.393 1.00 2.09 H new ATOM 0 HE1 PHE A 20 4.180 1.253 8.804 1.00 1.37 H new ATOM 0 HE2 PHE A 20 0.161 0.838 7.327 1.00 2.04 H new ATOM 0 HZ PHE A 20 2.490 1.650 7.027 1.00 1.02 H new ATOM 305 N PHE A 21 0.696 -3.852 13.204 1.00 1.91 N ATOM 306 CA PHE A 21 0.426 -4.457 14.502 1.00 2.17 C ATOM 307 C PHE A 21 1.589 -5.341 14.960 1.00 2.06 C ATOM 308 O PHE A 21 2.004 -5.245 16.118 1.00 2.45 O ATOM 309 CB PHE A 21 -0.924 -5.182 14.585 1.00 2.25 C ATOM 310 CG PHE A 21 -1.310 -5.495 16.021 1.00 2.35 C ATOM 311 CD1 PHE A 21 -2.016 -4.548 16.785 1.00 3.15 C ATOM 312 CD2 PHE A 21 -0.866 -6.687 16.627 1.00 2.88 C ATOM 313 CE1 PHE A 21 -2.294 -4.801 18.142 1.00 3.45 C ATOM 314 CE2 PHE A 21 -1.140 -6.937 17.983 1.00 3.14 C ATOM 315 CZ PHE A 21 -1.860 -5.997 18.739 1.00 3.02 C ATOM 0 H PHE A 21 -0.007 -4.043 12.490 1.00 1.91 H new ATOM 0 HA PHE A 21 0.341 -3.628 15.204 1.00 2.17 H new ATOM 0 HB2 PHE A 21 -1.697 -4.564 14.127 1.00 2.25 H new ATOM 0 HB3 PHE A 21 -0.875 -6.108 14.012 1.00 2.25 H new ATOM 0 HD1 PHE A 21 -2.345 -3.626 16.330 1.00 3.15 H new ATOM 0 HD2 PHE A 21 -0.313 -7.411 16.048 1.00 2.88 H new ATOM 0 HE1 PHE A 21 -2.841 -4.075 18.725 1.00 3.45 H new ATOM 0 HE2 PHE A 21 -0.797 -7.852 18.444 1.00 3.14 H new ATOM 0 HZ PHE A 21 -2.080 -6.193 19.778 1.00 3.02 H new ATOM 325 N THR A 22 2.130 -6.167 14.063 1.00 1.65 N ATOM 326 CA THR A 22 3.200 -7.108 14.361 1.00 1.68 C ATOM 327 C THR A 22 4.548 -6.381 14.338 1.00 1.94 C ATOM 328 O THR A 22 5.342 -6.512 13.408 1.00 2.10 O ATOM 329 CB THR A 22 3.152 -8.261 13.344 1.00 1.77 C ATOM 330 OG1 THR A 22 1.831 -8.751 13.242 1.00 2.89 O ATOM 331 CG2 THR A 22 4.062 -9.424 13.751 1.00 2.13 C ATOM 0 H THR A 22 1.827 -6.198 13.090 1.00 1.65 H new ATOM 0 HA THR A 22 3.071 -7.529 15.358 1.00 1.68 H new ATOM 0 HB THR A 22 3.498 -7.863 12.390 1.00 1.77 H new ATOM 0 HG1 THR A 22 1.280 -8.106 12.752 1.00 2.89 H new ATOM 0 HG21 THR A 22 3.997 -10.216 13.004 1.00 2.13 H new ATOM 0 HG22 THR A 22 5.092 -9.074 13.819 1.00 2.13 H new ATOM 0 HG23 THR A 22 3.746 -9.812 14.719 1.00 2.13 H new ATOM 478 N ASP A 31 1.643 4.601 14.811 1.00 1.22 N ATOM 479 CA ASP A 31 0.892 4.528 13.558 1.00 1.25 C ATOM 480 C ASP A 31 1.777 3.838 12.518 1.00 1.40 C ATOM 481 O ASP A 31 1.388 2.872 11.864 1.00 1.98 O ATOM 482 CB ASP A 31 0.540 5.946 13.079 1.00 1.36 C ATOM 483 CG ASP A 31 -0.527 6.636 13.917 1.00 1.92 C ATOM 484 OD1 ASP A 31 -0.148 7.174 14.982 1.00 3.07 O ATOM 485 OD2 ASP A 31 -1.666 6.756 13.419 1.00 2.66 O ATOM 0 HA ASP A 31 -0.033 3.969 13.702 1.00 1.25 H new ATOM 0 HB2 ASP A 31 1.444 6.556 13.086 1.00 1.36 H new ATOM 0 HB3 ASP A 31 0.199 5.895 12.045 1.00 1.36 H new ATOM 490 N SER A 32 2.989 4.362 12.366 1.00 1.16 N ATOM 491 CA SER A 32 4.116 3.776 11.672 1.00 1.15 C ATOM 492 C SER A 32 5.349 4.200 12.490 1.00 1.14 C ATOM 493 O SER A 32 5.218 4.339 13.708 1.00 1.31 O ATOM 494 CB SER A 32 4.068 4.215 10.201 1.00 1.21 C ATOM 495 OG SER A 32 2.866 3.764 9.608 1.00 2.53 O ATOM 0 H SER A 32 3.220 5.276 12.756 1.00 1.16 H new ATOM 0 HA SER A 32 4.126 2.688 11.612 1.00 1.15 H new ATOM 0 HB2 SER A 32 4.133 5.301 10.133 1.00 1.21 H new ATOM 0 HB3 SER A 32 4.925 3.810 9.662 1.00 1.21 H new ATOM 0 HG SER A 32 2.856 2.784 9.593 1.00 2.53 H new ATOM 501 N LEU A 33 6.526 4.356 11.878 1.00 1.08 N ATOM 502 CA LEU A 33 7.789 4.559 12.591 1.00 1.21 C ATOM 503 C LEU A 33 8.238 6.015 12.456 1.00 1.15 C ATOM 504 O LEU A 33 7.409 6.880 12.197 1.00 1.22 O ATOM 505 CB LEU A 33 8.840 3.580 12.033 1.00 1.36 C ATOM 506 CG LEU A 33 8.528 2.080 12.156 1.00 1.44 C ATOM 507 CD1 LEU A 33 7.925 1.686 13.509 1.00 1.89 C ATOM 508 CD2 LEU A 33 7.672 1.590 10.988 1.00 1.30 C ATOM 0 H LEU A 33 6.629 4.345 10.863 1.00 1.08 H new ATOM 0 HA LEU A 33 7.661 4.357 13.654 1.00 1.21 H new ATOM 0 HB2 LEU A 33 8.991 3.810 10.978 1.00 1.36 H new ATOM 0 HB3 LEU A 33 9.786 3.772 12.540 1.00 1.36 H new ATOM 0 HG LEU A 33 9.490 1.569 12.106 1.00 1.44 H new ATOM 0 HD11 LEU A 33 7.731 0.613 13.523 1.00 1.89 H new ATOM 0 HD12 LEU A 33 8.624 1.939 14.306 1.00 1.89 H new ATOM 0 HD13 LEU A 33 6.990 2.225 13.662 1.00 1.89 H new ATOM 0 HD21 LEU A 33 7.470 0.525 11.106 1.00 1.30 H new ATOM 0 HD22 LEU A 33 6.730 2.138 10.972 1.00 1.30 H new ATOM 0 HD23 LEU A 33 8.205 1.756 10.052 1.00 1.30 H new ATOM 520 N SER A 34 9.530 6.316 12.602 1.00 1.11 N ATOM 521 CA SER A 34 10.053 7.622 12.213 1.00 1.08 C ATOM 522 C SER A 34 10.227 7.640 10.690 1.00 1.03 C ATOM 523 O SER A 34 10.155 6.601 10.039 1.00 1.07 O ATOM 524 CB SER A 34 11.353 7.946 12.962 1.00 1.12 C ATOM 525 OG SER A 34 11.313 7.439 14.280 1.00 1.96 O ATOM 0 H SER A 34 10.227 5.677 12.984 1.00 1.11 H new ATOM 0 HA SER A 34 9.350 8.407 12.492 1.00 1.08 H new ATOM 0 HB2 SER A 34 12.202 7.518 12.429 1.00 1.12 H new ATOM 0 HB3 SER A 34 11.504 9.025 12.987 1.00 1.12 H new ATOM 0 HG SER A 34 11.617 6.507 14.282 1.00 1.96 H new ATOM 531 N VAL A 35 10.448 8.810 10.095 1.00 1.01 N ATOM 532 CA VAL A 35 10.437 8.975 8.643 1.00 0.95 C ATOM 533 C VAL A 35 11.744 8.471 8.018 1.00 0.85 C ATOM 534 O VAL A 35 11.749 7.689 7.066 1.00 0.76 O ATOM 535 CB VAL A 35 10.188 10.457 8.353 1.00 1.16 C ATOM 536 CG1 VAL A 35 10.206 10.775 6.862 1.00 1.11 C ATOM 537 CG2 VAL A 35 8.887 10.989 8.968 1.00 1.31 C ATOM 0 H VAL A 35 10.640 9.671 10.606 1.00 1.01 H new ATOM 0 HA VAL A 35 9.645 8.376 8.192 1.00 0.95 H new ATOM 0 HB VAL A 35 11.022 10.969 8.833 1.00 1.16 H new ATOM 0 HG11 VAL A 35 10.024 11.840 6.715 1.00 1.11 H new ATOM 0 HG12 VAL A 35 11.178 10.512 6.446 1.00 1.11 H new ATOM 0 HG13 VAL A 35 9.428 10.201 6.358 1.00 1.11 H new ATOM 0 HG21 VAL A 35 8.774 12.045 8.723 1.00 1.31 H new ATOM 0 HG22 VAL A 35 8.041 10.431 8.568 1.00 1.31 H new ATOM 0 HG23 VAL A 35 8.921 10.869 10.051 1.00 1.31 H new ATOM 547 N ASN A 36 12.879 8.930 8.545 1.00 0.92 N ATOM 548 CA ASN A 36 14.181 8.470 8.084 1.00 0.93 C ATOM 549 C ASN A 36 14.309 6.966 8.364 1.00 0.87 C ATOM 550 O ASN A 36 14.577 6.192 7.449 1.00 0.87 O ATOM 551 CB ASN A 36 15.317 9.305 8.700 1.00 1.09 C ATOM 552 CG ASN A 36 16.433 9.524 7.677 1.00 1.78 C ATOM 553 OD1 ASN A 36 16.885 8.583 7.028 1.00 2.50 O ATOM 554 ND2 ASN A 36 16.830 10.767 7.412 1.00 2.12 N ATOM 0 H ASN A 36 12.919 9.622 9.293 1.00 0.92 H new ATOM 0 HA ASN A 36 14.268 8.615 7.007 1.00 0.93 H new ATOM 0 HB2 ASN A 36 14.929 10.267 9.036 1.00 1.09 H new ATOM 0 HB3 ASN A 36 15.715 8.797 9.579 1.00 1.09 H new ATOM 0 HD21 ASN A 36 17.509 10.938 6.670 1.00 2.12 H new ATOM 0 HD22 ASN A 36 16.455 11.548 7.950 1.00 2.12 H new ATOM 561 N GLU A 37 13.990 6.564 9.602 1.00 0.91 N ATOM 562 CA GLU A 37 13.846 5.172 10.027 1.00 0.95 C ATOM 563 C GLU A 37 13.044 4.382 8.987 1.00 0.85 C ATOM 564 O GLU A 37 13.537 3.407 8.429 1.00 0.86 O ATOM 565 CB GLU A 37 13.167 5.156 11.405 1.00 1.08 C ATOM 566 CG GLU A 37 12.985 3.769 12.037 1.00 1.50 C ATOM 567 CD GLU A 37 12.228 3.842 13.362 1.00 2.58 C ATOM 568 OE1 GLU A 37 11.622 4.910 13.615 1.00 3.41 O ATOM 569 OE2 GLU A 37 12.212 2.816 14.074 1.00 3.43 O ATOM 0 H GLU A 37 13.820 7.226 10.359 1.00 0.91 H new ATOM 0 HA GLU A 37 14.822 4.693 10.108 1.00 0.95 H new ATOM 0 HB2 GLU A 37 13.753 5.772 12.087 1.00 1.08 H new ATOM 0 HB3 GLU A 37 12.188 5.625 11.313 1.00 1.08 H new ATOM 0 HG2 GLU A 37 12.445 3.123 11.345 1.00 1.50 H new ATOM 0 HG3 GLU A 37 13.962 3.314 12.201 1.00 1.50 H new ATOM 576 N PHE A 38 11.813 4.824 8.701 1.00 0.83 N ATOM 577 CA PHE A 38 10.974 4.275 7.643 1.00 0.78 C ATOM 578 C PHE A 38 11.769 4.018 6.362 1.00 0.73 C ATOM 579 O PHE A 38 11.708 2.903 5.863 1.00 0.78 O ATOM 580 CB PHE A 38 9.740 5.156 7.399 1.00 0.75 C ATOM 581 CG PHE A 38 9.109 5.014 6.026 1.00 0.76 C ATOM 582 CD1 PHE A 38 8.156 4.011 5.790 1.00 1.72 C ATOM 583 CD2 PHE A 38 9.541 5.829 4.961 1.00 1.69 C ATOM 584 CE1 PHE A 38 7.600 3.855 4.509 1.00 1.73 C ATOM 585 CE2 PHE A 38 9.076 5.587 3.656 1.00 1.87 C ATOM 586 CZ PHE A 38 8.086 4.615 3.434 1.00 1.12 C ATOM 0 H PHE A 38 11.369 5.588 9.211 1.00 0.83 H new ATOM 0 HA PHE A 38 10.612 3.304 7.979 1.00 0.78 H new ATOM 0 HB2 PHE A 38 8.989 4.920 8.153 1.00 0.75 H new ATOM 0 HB3 PHE A 38 10.022 6.199 7.546 1.00 0.75 H new ATOM 0 HD1 PHE A 38 7.850 3.358 6.594 1.00 1.72 H new ATOM 0 HD2 PHE A 38 10.230 6.640 5.147 1.00 1.69 H new ATOM 0 HE1 PHE A 38 6.798 3.149 4.352 1.00 1.73 H new ATOM 0 HE2 PHE A 38 9.479 6.148 2.826 1.00 1.87 H new ATOM 0 HZ PHE A 38 7.700 4.453 2.438 1.00 1.12 H new ATOM 596 N LYS A 39 12.511 5.000 5.832 1.00 0.69 N ATOM 597 CA LYS A 39 13.320 4.813 4.622 1.00 0.69 C ATOM 598 C LYS A 39 14.193 3.556 4.753 1.00 0.79 C ATOM 599 O LYS A 39 14.190 2.681 3.884 1.00 0.83 O ATOM 600 CB LYS A 39 14.213 6.040 4.380 1.00 0.88 C ATOM 601 CG LYS A 39 14.899 6.019 3.002 1.00 0.94 C ATOM 602 CD LYS A 39 16.361 6.504 3.045 1.00 1.50 C ATOM 603 CE LYS A 39 16.538 8.019 3.231 1.00 2.92 C ATOM 604 NZ LYS A 39 16.075 8.506 4.546 1.00 4.47 N ATOM 0 H LYS A 39 12.567 5.939 6.227 1.00 0.69 H new ATOM 0 HA LYS A 39 12.646 4.692 3.774 1.00 0.69 H new ATOM 0 HB2 LYS A 39 13.611 6.944 4.467 1.00 0.88 H new ATOM 0 HB3 LYS A 39 14.974 6.088 5.159 1.00 0.88 H new ATOM 0 HG2 LYS A 39 14.871 5.004 2.605 1.00 0.94 H new ATOM 0 HG3 LYS A 39 14.335 6.647 2.313 1.00 0.94 H new ATOM 0 HD2 LYS A 39 16.874 5.991 3.858 1.00 1.50 H new ATOM 0 HD3 LYS A 39 16.854 6.207 2.119 1.00 1.50 H new ATOM 0 HE2 LYS A 39 17.591 8.272 3.108 1.00 2.92 H new ATOM 0 HE3 LYS A 39 15.991 8.540 2.445 1.00 2.92 H new ATOM 0 HZ1 LYS A 39 16.063 9.546 4.546 1.00 4.47 H new ATOM 0 HZ2 LYS A 39 15.116 8.148 4.731 1.00 4.47 H new ATOM 0 HZ3 LYS A 39 16.720 8.167 5.288 1.00 4.47 H new ATOM 618 N GLU A 40 14.965 3.502 5.840 1.00 0.87 N ATOM 619 CA GLU A 40 15.911 2.434 6.119 1.00 1.00 C ATOM 620 C GLU A 40 15.168 1.095 6.193 1.00 0.99 C ATOM 621 O GLU A 40 15.530 0.124 5.528 1.00 1.11 O ATOM 622 CB GLU A 40 16.667 2.767 7.412 1.00 1.35 C ATOM 623 CG GLU A 40 17.442 4.090 7.280 1.00 1.49 C ATOM 624 CD GLU A 40 17.980 4.546 8.630 1.00 2.50 C ATOM 625 OE1 GLU A 40 18.903 3.865 9.124 1.00 3.41 O ATOM 626 OE2 GLU A 40 17.456 5.560 9.138 1.00 3.38 O ATOM 0 H GLU A 40 14.945 4.220 6.565 1.00 0.87 H new ATOM 0 HA GLU A 40 16.646 2.344 5.319 1.00 1.00 H new ATOM 0 HB2 GLU A 40 15.962 2.837 8.241 1.00 1.35 H new ATOM 0 HB3 GLU A 40 17.359 1.959 7.650 1.00 1.35 H new ATOM 0 HG2 GLU A 40 18.268 3.963 6.580 1.00 1.49 H new ATOM 0 HG3 GLU A 40 16.789 4.858 6.867 1.00 1.49 H new ATOM 633 N LEU A 41 14.088 1.059 6.972 1.00 0.95 N ATOM 634 CA LEU A 41 13.210 -0.094 7.073 1.00 1.02 C ATOM 635 C LEU A 41 12.739 -0.542 5.687 1.00 0.92 C ATOM 636 O LEU A 41 12.981 -1.683 5.301 1.00 1.01 O ATOM 637 CB LEU A 41 12.031 0.223 8.004 1.00 1.07 C ATOM 638 CG LEU A 41 12.257 -0.288 9.435 1.00 1.31 C ATOM 639 CD1 LEU A 41 13.502 0.325 10.090 1.00 1.97 C ATOM 640 CD2 LEU A 41 11.022 0.050 10.272 1.00 2.87 C ATOM 0 H LEU A 41 13.799 1.843 7.557 1.00 0.95 H new ATOM 0 HA LEU A 41 13.764 -0.926 7.507 1.00 1.02 H new ATOM 0 HB2 LEU A 41 11.871 1.301 8.028 1.00 1.07 H new ATOM 0 HB3 LEU A 41 11.123 -0.225 7.601 1.00 1.07 H new ATOM 0 HG LEU A 41 12.419 -1.365 9.387 1.00 1.31 H new ATOM 0 HD11 LEU A 41 13.614 -0.071 11.099 1.00 1.97 H new ATOM 0 HD12 LEU A 41 14.384 0.073 9.501 1.00 1.97 H new ATOM 0 HD13 LEU A 41 13.393 1.409 10.135 1.00 1.97 H new ATOM 0 HD21 LEU A 41 11.165 -0.306 11.292 1.00 2.87 H new ATOM 0 HD22 LEU A 41 10.874 1.130 10.282 1.00 2.87 H new ATOM 0 HD23 LEU A 41 10.146 -0.433 9.839 1.00 2.87 H new ATOM 652 N VAL A 42 12.070 0.322 4.921 1.00 0.82 N ATOM 653 CA VAL A 42 11.513 -0.107 3.650 1.00 0.83 C ATOM 654 C VAL A 42 12.599 -0.635 2.721 1.00 0.87 C ATOM 655 O VAL A 42 12.403 -1.707 2.170 1.00 1.01 O ATOM 656 CB VAL A 42 10.562 0.904 2.992 1.00 0.79 C ATOM 657 CG1 VAL A 42 9.342 1.130 3.890 1.00 1.71 C ATOM 658 CG2 VAL A 42 11.222 2.235 2.627 1.00 1.41 C ATOM 0 H VAL A 42 11.906 1.301 5.157 1.00 0.82 H new ATOM 0 HA VAL A 42 10.854 -0.945 3.875 1.00 0.83 H new ATOM 0 HB VAL A 42 10.252 0.465 2.044 1.00 0.79 H new ATOM 0 HG11 VAL A 42 8.671 1.848 3.418 1.00 1.71 H new ATOM 0 HG12 VAL A 42 8.818 0.185 4.036 1.00 1.71 H new ATOM 0 HG13 VAL A 42 9.668 1.518 4.855 1.00 1.71 H new ATOM 0 HG21 VAL A 42 10.484 2.893 2.168 1.00 1.41 H new ATOM 0 HG22 VAL A 42 11.616 2.705 3.528 1.00 1.41 H new ATOM 0 HG23 VAL A 42 12.036 2.057 1.925 1.00 1.41 H new ATOM 668 N THR A 43 13.760 0.014 2.575 1.00 0.81 N ATOM 669 CA THR A 43 14.813 -0.616 1.772 1.00 0.96 C ATOM 670 C THR A 43 15.197 -1.992 2.345 1.00 1.16 C ATOM 671 O THR A 43 15.417 -2.936 1.587 1.00 1.40 O ATOM 672 CB THR A 43 16.017 0.311 1.525 1.00 0.97 C ATOM 673 OG1 THR A 43 16.901 -0.274 0.591 1.00 1.56 O ATOM 674 CG2 THR A 43 16.824 0.640 2.778 1.00 1.22 C ATOM 0 H THR A 43 13.988 0.923 2.977 1.00 0.81 H new ATOM 0 HA THR A 43 14.403 -0.796 0.778 1.00 0.96 H new ATOM 0 HB THR A 43 15.585 1.240 1.153 1.00 0.97 H new ATOM 0 HG1 THR A 43 17.662 0.325 0.441 1.00 1.56 H new ATOM 0 HG21 THR A 43 17.653 1.297 2.515 1.00 1.22 H new ATOM 0 HG22 THR A 43 16.182 1.139 3.504 1.00 1.22 H new ATOM 0 HG23 THR A 43 17.215 -0.281 3.211 1.00 1.22 H new ATOM 682 N GLN A 44 15.237 -2.132 3.675 1.00 1.14 N ATOM 683 CA GLN A 44 15.584 -3.387 4.325 1.00 1.28 C ATOM 684 C GLN A 44 14.574 -4.504 4.016 1.00 1.29 C ATOM 685 O GLN A 44 14.993 -5.576 3.590 1.00 1.32 O ATOM 686 CB GLN A 44 15.798 -3.152 5.829 1.00 1.31 C ATOM 687 CG GLN A 44 16.585 -4.277 6.514 1.00 2.06 C ATOM 688 CD GLN A 44 15.784 -5.564 6.702 1.00 3.43 C ATOM 689 OE1 GLN A 44 16.208 -6.636 6.289 1.00 4.39 O ATOM 690 NE2 GLN A 44 14.622 -5.473 7.345 1.00 4.47 N ATOM 0 H GLN A 44 15.029 -1.374 4.325 1.00 1.14 H new ATOM 0 HA GLN A 44 16.527 -3.747 3.913 1.00 1.28 H new ATOM 0 HB2 GLN A 44 16.327 -2.210 5.971 1.00 1.31 H new ATOM 0 HB3 GLN A 44 14.828 -3.049 6.315 1.00 1.31 H new ATOM 0 HG2 GLN A 44 17.475 -4.497 5.924 1.00 2.06 H new ATOM 0 HG3 GLN A 44 16.927 -3.927 7.488 1.00 2.06 H new ATOM 0 HE21 GLN A 44 14.293 -4.567 7.678 1.00 4.47 H new ATOM 0 HE22 GLN A 44 14.061 -6.309 7.505 1.00 4.47 H new ATOM 699 N GLN A 45 13.268 -4.300 4.253 1.00 1.30 N ATOM 700 CA GLN A 45 12.262 -5.339 3.974 1.00 1.28 C ATOM 701 C GLN A 45 11.853 -5.414 2.496 1.00 1.47 C ATOM 702 O GLN A 45 11.368 -6.459 2.055 1.00 1.55 O ATOM 703 CB GLN A 45 11.024 -5.261 4.884 1.00 1.54 C ATOM 704 CG GLN A 45 10.431 -3.867 5.049 1.00 1.67 C ATOM 705 CD GLN A 45 10.763 -3.199 6.384 1.00 2.29 C ATOM 706 OE1 GLN A 45 10.021 -2.336 6.835 1.00 3.70 O ATOM 707 NE2 GLN A 45 11.840 -3.603 7.054 1.00 1.96 N ATOM 0 H GLN A 45 12.886 -3.434 4.633 1.00 1.30 H new ATOM 0 HA GLN A 45 12.774 -6.271 4.213 1.00 1.28 H new ATOM 0 HB2 GLN A 45 10.255 -5.921 4.483 1.00 1.54 H new ATOM 0 HB3 GLN A 45 11.291 -5.644 5.869 1.00 1.54 H new ATOM 0 HG2 GLN A 45 10.791 -3.233 4.239 1.00 1.67 H new ATOM 0 HG3 GLN A 45 9.348 -3.931 4.947 1.00 1.67 H new ATOM 0 HE21 GLN A 45 12.445 -4.324 6.660 1.00 1.96 H new ATOM 0 HE22 GLN A 45 12.060 -3.192 7.961 1.00 1.96 H new ATOM 716 N LEU A 46 12.043 -4.321 1.748 1.00 1.64 N ATOM 717 CA LEU A 46 11.899 -4.246 0.300 1.00 1.82 C ATOM 718 C LEU A 46 13.277 -4.058 -0.357 1.00 2.00 C ATOM 719 O LEU A 46 13.514 -3.029 -0.994 1.00 2.40 O ATOM 720 CB LEU A 46 10.945 -3.106 -0.151 1.00 2.16 C ATOM 721 CG LEU A 46 9.453 -3.048 0.246 1.00 2.25 C ATOM 722 CD1 LEU A 46 9.171 -3.022 1.746 1.00 2.59 C ATOM 723 CD2 LEU A 46 8.839 -1.778 -0.355 1.00 2.90 C ATOM 0 H LEU A 46 12.313 -3.428 2.160 1.00 1.64 H new ATOM 0 HA LEU A 46 11.454 -5.187 -0.023 1.00 1.82 H new ATOM 0 HB2 LEU A 46 11.393 -2.174 0.194 1.00 2.16 H new ATOM 0 HB3 LEU A 46 10.976 -3.090 -1.240 1.00 2.16 H new ATOM 0 HG LEU A 46 9.018 -3.972 -0.136 1.00 2.25 H new ATOM 0 HD11 LEU A 46 8.095 -2.981 1.913 1.00 2.59 H new ATOM 0 HD12 LEU A 46 9.576 -3.922 2.208 1.00 2.59 H new ATOM 0 HD13 LEU A 46 9.640 -2.144 2.189 1.00 2.59 H new ATOM 0 HD21 LEU A 46 7.785 -1.721 -0.085 1.00 2.90 H new ATOM 0 HD22 LEU A 46 9.361 -0.903 0.032 1.00 2.90 H new ATOM 0 HD23 LEU A 46 8.934 -1.806 -1.440 1.00 2.90 H new ATOM 735 N PRO A 47 14.176 -5.060 -0.331 1.00 1.84 N ATOM 736 CA PRO A 47 15.434 -5.019 -1.070 1.00 2.10 C ATOM 737 C PRO A 47 15.172 -5.346 -2.551 1.00 2.30 C ATOM 738 O PRO A 47 15.851 -6.172 -3.165 1.00 2.37 O ATOM 739 CB PRO A 47 16.315 -6.062 -0.386 1.00 2.03 C ATOM 740 CG PRO A 47 15.295 -7.128 0.002 1.00 1.72 C ATOM 741 CD PRO A 47 14.059 -6.320 0.381 1.00 1.55 C ATOM 0 HA PRO A 47 15.916 -4.041 -1.062 1.00 2.10 H new ATOM 0 HB2 PRO A 47 17.080 -6.453 -1.056 1.00 2.03 H new ATOM 0 HB3 PRO A 47 16.831 -5.654 0.483 1.00 2.03 H new ATOM 0 HG2 PRO A 47 15.091 -7.808 -0.825 1.00 1.72 H new ATOM 0 HG3 PRO A 47 15.648 -7.736 0.835 1.00 1.72 H new ATOM 0 HD2 PRO A 47 13.147 -6.845 0.099 1.00 1.55 H new ATOM 0 HD3 PRO A 47 14.013 -6.158 1.458 1.00 1.55 H new ATOM 749 N HIS A 48 14.153 -4.707 -3.126 1.00 2.55 N ATOM 750 CA HIS A 48 13.584 -5.026 -4.422 1.00 2.86 C ATOM 751 C HIS A 48 14.471 -4.429 -5.517 1.00 2.88 C ATOM 752 O HIS A 48 14.097 -3.465 -6.183 1.00 4.60 O ATOM 753 CB HIS A 48 12.132 -4.519 -4.454 1.00 3.16 C ATOM 754 CG HIS A 48 11.935 -3.076 -4.034 1.00 4.88 C ATOM 755 ND1 HIS A 48 12.878 -2.072 -4.080 1.00 6.32 N ATOM 756 CD2 HIS A 48 10.750 -2.497 -3.667 1.00 6.17 C ATOM 757 CE1 HIS A 48 12.282 -0.928 -3.709 1.00 8.15 C ATOM 758 NE2 HIS A 48 10.983 -1.139 -3.455 1.00 8.03 N ATOM 0 H HIS A 48 13.686 -3.920 -2.676 1.00 2.55 H new ATOM 0 HA HIS A 48 13.552 -6.101 -4.602 1.00 2.86 H new ATOM 0 HB2 HIS A 48 11.745 -4.641 -5.466 1.00 3.16 H new ATOM 0 HB3 HIS A 48 11.530 -5.154 -3.804 1.00 3.16 H new ATOM 0 HD1 HIS A 48 13.856 -2.179 -4.349 1.00 6.32 H new ATOM 0 HD2 HIS A 48 9.802 -3.003 -3.560 1.00 6.17 H new ATOM 0 HE1 HIS A 48 12.779 0.027 -3.627 1.00 8.15 H new ATOM 766 N LEU A 49 15.682 -4.968 -5.660 1.00 1.44 N ATOM 767 CA LEU A 49 16.714 -4.504 -6.581 1.00 1.35 C ATOM 768 C LEU A 49 17.295 -3.166 -6.106 1.00 1.07 C ATOM 769 O LEU A 49 18.489 -3.101 -5.834 1.00 1.20 O ATOM 770 CB LEU A 49 16.187 -4.469 -8.030 1.00 1.52 C ATOM 771 CG LEU A 49 17.268 -4.707 -9.099 1.00 1.60 C ATOM 772 CD1 LEU A 49 16.599 -4.776 -10.477 1.00 2.82 C ATOM 773 CD2 LEU A 49 18.343 -3.614 -9.122 1.00 2.55 C ATOM 0 H LEU A 49 15.981 -5.775 -5.112 1.00 1.44 H new ATOM 0 HA LEU A 49 17.540 -5.215 -6.583 1.00 1.35 H new ATOM 0 HB2 LEU A 49 15.410 -5.225 -8.141 1.00 1.52 H new ATOM 0 HB3 LEU A 49 15.719 -3.501 -8.211 1.00 1.52 H new ATOM 0 HG LEU A 49 17.766 -5.644 -8.850 1.00 1.60 H new ATOM 0 HD11 LEU A 49 17.357 -4.944 -11.242 1.00 2.82 H new ATOM 0 HD12 LEU A 49 15.880 -5.595 -10.492 1.00 2.82 H new ATOM 0 HD13 LEU A 49 16.083 -3.837 -10.678 1.00 2.82 H new ATOM 0 HD21 LEU A 49 19.075 -3.840 -9.897 1.00 2.55 H new ATOM 0 HD22 LEU A 49 17.878 -2.651 -9.332 1.00 2.55 H new ATOM 0 HD23 LEU A 49 18.841 -3.573 -8.153 1.00 2.55 H new ATOM 785 N LEU A 50 16.451 -2.130 -6.002 1.00 1.03 N ATOM 786 CA LEU A 50 16.804 -0.736 -5.725 1.00 1.07 C ATOM 787 C LEU A 50 17.388 -0.168 -7.008 1.00 1.14 C ATOM 788 O LEU A 50 18.539 0.253 -7.080 1.00 1.48 O ATOM 789 CB LEU A 50 17.709 -0.500 -4.493 1.00 1.41 C ATOM 790 CG LEU A 50 17.033 -0.603 -3.116 1.00 1.76 C ATOM 791 CD1 LEU A 50 15.979 0.492 -2.903 1.00 2.83 C ATOM 792 CD2 LEU A 50 16.433 -1.981 -2.843 1.00 2.03 C ATOM 0 H LEU A 50 15.445 -2.253 -6.116 1.00 1.03 H new ATOM 0 HA LEU A 50 15.898 -0.207 -5.430 1.00 1.07 H new ATOM 0 HB2 LEU A 50 18.526 -1.221 -4.527 1.00 1.41 H new ATOM 0 HB3 LEU A 50 18.154 0.491 -4.581 1.00 1.41 H new ATOM 0 HG LEU A 50 17.834 -0.451 -2.392 1.00 1.76 H new ATOM 0 HD11 LEU A 50 15.530 0.377 -1.917 1.00 2.83 H new ATOM 0 HD12 LEU A 50 16.452 1.471 -2.975 1.00 2.83 H new ATOM 0 HD13 LEU A 50 15.206 0.406 -3.666 1.00 2.83 H new ATOM 0 HD21 LEU A 50 15.971 -1.988 -1.856 1.00 2.03 H new ATOM 0 HD22 LEU A 50 15.679 -2.206 -3.598 1.00 2.03 H new ATOM 0 HD23 LEU A 50 17.220 -2.734 -2.881 1.00 2.03 H new ATOM 804 N LYS A 51 16.566 -0.212 -8.059 1.00 1.07 N ATOM 805 CA LYS A 51 16.924 0.402 -9.317 1.00 1.26 C ATOM 806 C LYS A 51 16.926 1.916 -9.169 1.00 1.12 C ATOM 807 O LYS A 51 17.770 2.567 -9.778 1.00 1.27 O ATOM 808 CB LYS A 51 16.020 -0.080 -10.444 1.00 1.42 C ATOM 809 CG LYS A 51 14.582 0.421 -10.323 1.00 1.32 C ATOM 810 CD LYS A 51 14.278 1.836 -10.875 1.00 1.49 C ATOM 811 CE LYS A 51 15.015 2.335 -12.136 1.00 1.97 C ATOM 812 NZ LYS A 51 16.268 3.098 -11.875 1.00 3.04 N ATOM 0 H LYS A 51 15.653 -0.667 -8.053 1.00 1.07 H new ATOM 0 HA LYS A 51 17.934 0.097 -9.591 1.00 1.26 H new ATOM 0 HB2 LYS A 51 16.433 0.249 -11.397 1.00 1.42 H new ATOM 0 HB3 LYS A 51 16.018 -1.170 -10.457 1.00 1.42 H new ATOM 0 HG2 LYS A 51 13.933 -0.289 -10.836 1.00 1.32 H new ATOM 0 HG3 LYS A 51 14.305 0.403 -9.269 1.00 1.32 H new ATOM 0 HD2 LYS A 51 13.209 1.883 -11.082 1.00 1.49 H new ATOM 0 HD3 LYS A 51 14.480 2.549 -10.075 1.00 1.49 H new ATOM 0 HE2 LYS A 51 15.255 1.475 -12.762 1.00 1.97 H new ATOM 0 HE3 LYS A 51 14.336 2.967 -12.709 1.00 1.97 H new ATOM 0 HZ1 LYS A 51 16.664 3.434 -12.776 1.00 3.04 H new ATOM 0 HZ2 LYS A 51 16.057 3.913 -11.264 1.00 3.04 H new ATOM 0 HZ3 LYS A 51 16.959 2.480 -11.403 1.00 3.04 H new ATOM 826 N ASP A 52 15.911 2.459 -8.484 1.00 0.99 N ATOM 827 CA ASP A 52 15.846 3.836 -8.008 1.00 1.10 C ATOM 828 C ASP A 52 15.621 4.826 -9.148 1.00 1.18 C ATOM 829 O ASP A 52 16.501 5.063 -9.975 1.00 2.11 O ATOM 830 CB ASP A 52 17.020 4.179 -7.092 1.00 1.95 C ATOM 831 CG ASP A 52 17.044 3.325 -5.820 1.00 2.28 C ATOM 832 OD1 ASP A 52 16.201 2.403 -5.710 1.00 2.31 O ATOM 833 OD2 ASP A 52 17.888 3.635 -4.954 1.00 3.41 O ATOM 0 H ASP A 52 15.079 1.922 -8.239 1.00 0.99 H new ATOM 0 HA ASP A 52 14.961 3.931 -7.378 1.00 1.10 H new ATOM 0 HB2 ASP A 52 17.954 4.039 -7.637 1.00 1.95 H new ATOM 0 HB3 ASP A 52 16.966 5.232 -6.817 1.00 1.95 H new ATOM 838 N VAL A 53 14.367 5.229 -9.349 1.00 0.92 N ATOM 839 CA VAL A 53 14.003 6.291 -10.277 1.00 1.29 C ATOM 840 C VAL A 53 13.846 7.601 -9.499 1.00 0.98 C ATOM 841 O VAL A 53 13.913 7.602 -8.274 1.00 2.27 O ATOM 842 CB VAL A 53 12.750 5.863 -11.071 1.00 2.86 C ATOM 843 CG1 VAL A 53 11.425 6.390 -10.505 1.00 4.12 C ATOM 844 CG2 VAL A 53 12.867 6.245 -12.552 1.00 3.24 C ATOM 0 H VAL A 53 13.568 4.820 -8.865 1.00 0.92 H new ATOM 0 HA VAL A 53 14.783 6.468 -11.018 1.00 1.29 H new ATOM 0 HB VAL A 53 12.720 4.778 -10.968 1.00 2.86 H new ATOM 0 HG11 VAL A 53 10.600 6.040 -11.125 1.00 4.12 H new ATOM 0 HG12 VAL A 53 11.294 6.025 -9.486 1.00 4.12 H new ATOM 0 HG13 VAL A 53 11.439 7.480 -10.501 1.00 4.12 H new ATOM 0 HG21 VAL A 53 11.968 5.929 -13.081 1.00 3.24 H new ATOM 0 HG22 VAL A 53 12.980 7.325 -12.641 1.00 3.24 H new ATOM 0 HG23 VAL A 53 13.736 5.752 -12.987 1.00 3.24 H new ATOM 854 N GLY A 54 13.608 8.714 -10.197 1.00 0.89 N ATOM 855 CA GLY A 54 13.516 10.050 -9.619 1.00 1.49 C ATOM 856 C GLY A 54 12.598 10.178 -8.396 1.00 1.30 C ATOM 857 O GLY A 54 12.791 11.076 -7.588 1.00 1.41 O ATOM 0 H GLY A 54 13.471 8.707 -11.208 1.00 0.89 H new ATOM 0 HA2 GLY A 54 14.517 10.374 -9.336 1.00 1.49 H new ATOM 0 HA3 GLY A 54 13.165 10.737 -10.389 1.00 1.49 H new ATOM 861 N SER A 55 11.602 9.303 -8.228 1.00 1.15 N ATOM 862 CA SER A 55 10.717 9.370 -7.070 1.00 1.09 C ATOM 863 C SER A 55 11.361 8.758 -5.820 1.00 0.82 C ATOM 864 O SER A 55 10.969 9.080 -4.696 1.00 0.86 O ATOM 865 CB SER A 55 9.374 8.744 -7.416 1.00 1.32 C ATOM 866 OG SER A 55 8.711 9.534 -8.390 1.00 1.87 O ATOM 0 H SER A 55 11.392 8.545 -8.878 1.00 1.15 H new ATOM 0 HA SER A 55 10.541 10.416 -6.818 1.00 1.09 H new ATOM 0 HB2 SER A 55 9.521 7.732 -7.794 1.00 1.32 H new ATOM 0 HB3 SER A 55 8.759 8.663 -6.520 1.00 1.32 H new ATOM 0 HG SER A 55 7.755 9.578 -8.180 1.00 1.87 H new ATOM 872 N LEU A 56 12.386 7.918 -5.982 1.00 0.79 N ATOM 873 CA LEU A 56 13.277 7.580 -4.883 1.00 1.02 C ATOM 874 C LEU A 56 13.857 8.893 -4.363 1.00 1.10 C ATOM 875 O LEU A 56 13.686 9.229 -3.194 1.00 1.07 O ATOM 876 CB LEU A 56 14.385 6.644 -5.385 1.00 1.34 C ATOM 877 CG LEU A 56 15.174 5.910 -4.290 1.00 2.58 C ATOM 878 CD1 LEU A 56 15.662 6.781 -3.128 1.00 3.10 C ATOM 879 CD2 LEU A 56 14.400 4.701 -3.750 1.00 4.06 C ATOM 0 H LEU A 56 12.615 7.462 -6.865 1.00 0.79 H new ATOM 0 HA LEU A 56 12.750 7.060 -4.083 1.00 1.02 H new ATOM 0 HB2 LEU A 56 13.938 5.902 -6.047 1.00 1.34 H new ATOM 0 HB3 LEU A 56 15.085 7.226 -5.985 1.00 1.34 H new ATOM 0 HG LEU A 56 16.076 5.577 -4.803 1.00 2.58 H new ATOM 0 HD11 LEU A 56 16.206 6.163 -2.414 1.00 3.10 H new ATOM 0 HD12 LEU A 56 16.321 7.561 -3.510 1.00 3.10 H new ATOM 0 HD13 LEU A 56 14.806 7.240 -2.633 1.00 3.10 H new ATOM 0 HD21 LEU A 56 14.989 4.207 -2.978 1.00 4.06 H new ATOM 0 HD22 LEU A 56 13.453 5.035 -3.326 1.00 4.06 H new ATOM 0 HD23 LEU A 56 14.207 4.000 -4.562 1.00 4.06 H new ATOM 891 N ASP A 57 14.500 9.647 -5.259 1.00 1.35 N ATOM 892 CA ASP A 57 15.102 10.933 -4.935 1.00 1.65 C ATOM 893 C ASP A 57 14.068 11.874 -4.296 1.00 1.48 C ATOM 894 O ASP A 57 14.268 12.353 -3.183 1.00 1.51 O ATOM 895 CB ASP A 57 15.767 11.526 -6.187 1.00 2.07 C ATOM 896 CG ASP A 57 15.897 13.038 -6.104 1.00 2.33 C ATOM 897 OD1 ASP A 57 16.498 13.523 -5.127 1.00 3.29 O ATOM 898 OD2 ASP A 57 15.339 13.709 -6.999 1.00 2.45 O ATOM 0 H ASP A 57 14.615 9.376 -6.235 1.00 1.35 H new ATOM 0 HA ASP A 57 15.885 10.795 -4.190 1.00 1.65 H new ATOM 0 HB2 ASP A 57 16.755 11.084 -6.316 1.00 2.07 H new ATOM 0 HB3 ASP A 57 15.182 11.261 -7.068 1.00 2.07 H new ATOM 903 N GLU A 58 12.941 12.105 -4.977 1.00 1.41 N ATOM 904 CA GLU A 58 11.841 12.932 -4.486 1.00 1.47 C ATOM 905 C GLU A 58 11.494 12.592 -3.032 1.00 1.17 C ATOM 906 O GLU A 58 11.407 13.456 -2.155 1.00 1.33 O ATOM 907 CB GLU A 58 10.624 12.805 -5.420 1.00 1.60 C ATOM 908 CG GLU A 58 9.955 14.171 -5.635 1.00 2.34 C ATOM 909 CD GLU A 58 10.795 15.063 -6.551 1.00 3.62 C ATOM 910 OE1 GLU A 58 10.629 14.930 -7.779 1.00 4.27 O ATOM 911 OE2 GLU A 58 11.628 15.833 -6.019 1.00 4.78 O ATOM 0 H GLU A 58 12.767 11.713 -5.903 1.00 1.41 H new ATOM 0 HA GLU A 58 12.158 13.975 -4.493 1.00 1.47 H new ATOM 0 HB2 GLU A 58 10.938 12.394 -6.379 1.00 1.60 H new ATOM 0 HB3 GLU A 58 9.904 12.106 -4.994 1.00 1.60 H new ATOM 0 HG2 GLU A 58 8.965 14.029 -6.069 1.00 2.34 H new ATOM 0 HG3 GLU A 58 9.813 14.664 -4.673 1.00 2.34 H new ATOM 918 N LYS A 59 11.321 11.302 -2.764 1.00 0.82 N ATOM 919 CA LYS A 59 11.031 10.827 -1.430 1.00 0.72 C ATOM 920 C LYS A 59 12.204 11.060 -0.476 1.00 0.73 C ATOM 921 O LYS A 59 11.988 11.502 0.650 1.00 0.77 O ATOM 922 CB LYS A 59 10.644 9.369 -1.577 1.00 0.78 C ATOM 923 CG LYS A 59 9.867 8.775 -0.412 1.00 0.81 C ATOM 924 CD LYS A 59 9.166 7.478 -0.841 1.00 0.87 C ATOM 925 CE LYS A 59 9.859 6.577 -1.873 1.00 1.10 C ATOM 926 NZ LYS A 59 9.822 7.118 -3.259 1.00 1.90 N ATOM 0 H LYS A 59 11.379 10.565 -3.467 1.00 0.82 H new ATOM 0 HA LYS A 59 10.211 11.381 -0.974 1.00 0.72 H new ATOM 0 HB2 LYS A 59 10.047 9.260 -2.482 1.00 0.78 H new ATOM 0 HB3 LYS A 59 11.552 8.783 -1.721 1.00 0.78 H new ATOM 0 HG2 LYS A 59 10.543 8.573 0.419 1.00 0.81 H new ATOM 0 HG3 LYS A 59 9.129 9.493 -0.055 1.00 0.81 H new ATOM 0 HD2 LYS A 59 8.993 6.883 0.056 1.00 0.87 H new ATOM 0 HD3 LYS A 59 8.187 7.746 -1.239 1.00 0.87 H new ATOM 0 HE2 LYS A 59 10.898 6.432 -1.576 1.00 1.10 H new ATOM 0 HE3 LYS A 59 9.385 5.596 -1.862 1.00 1.10 H new ATOM 0 HZ1 LYS A 59 9.664 6.340 -3.931 1.00 1.90 H new ATOM 0 HZ2 LYS A 59 9.049 7.809 -3.341 1.00 1.90 H new ATOM 0 HZ3 LYS A 59 10.727 7.583 -3.474 1.00 1.90 H new ATOM 940 N MET A 60 13.441 10.788 -0.906 1.00 0.85 N ATOM 941 CA MET A 60 14.627 11.080 -0.112 1.00 1.05 C ATOM 942 C MET A 60 14.609 12.543 0.331 1.00 1.04 C ATOM 943 O MET A 60 14.754 12.799 1.524 1.00 1.06 O ATOM 944 CB MET A 60 15.914 10.688 -0.858 1.00 1.37 C ATOM 945 CG MET A 60 17.181 11.048 -0.065 1.00 1.54 C ATOM 946 SD MET A 60 17.736 12.772 -0.222 1.00 2.50 S ATOM 947 CE MET A 60 19.001 12.828 1.069 1.00 3.49 C ATOM 0 H MET A 60 13.642 10.361 -1.810 1.00 0.85 H new ATOM 0 HA MET A 60 14.614 10.468 0.790 1.00 1.05 H new ATOM 0 HB2 MET A 60 15.904 9.616 -1.056 1.00 1.37 H new ATOM 0 HB3 MET A 60 15.938 11.191 -1.825 1.00 1.37 H new ATOM 0 HG2 MET A 60 17.002 10.836 0.989 1.00 1.54 H new ATOM 0 HG3 MET A 60 17.990 10.393 -0.388 1.00 1.54 H new ATOM 0 HE1 MET A 60 19.442 13.824 1.103 1.00 3.49 H new ATOM 0 HE2 MET A 60 18.547 12.599 2.033 1.00 3.49 H new ATOM 0 HE3 MET A 60 19.777 12.095 0.850 1.00 3.49 H new ATOM 957 N LYS A 61 14.386 13.483 -0.595 1.00 1.09 N ATOM 958 CA LYS A 61 14.255 14.895 -0.241 1.00 1.14 C ATOM 959 C LYS A 61 13.170 15.044 0.825 1.00 1.04 C ATOM 960 O LYS A 61 13.414 15.588 1.899 1.00 1.15 O ATOM 961 CB LYS A 61 13.868 15.741 -1.460 1.00 1.25 C ATOM 962 CG LYS A 61 14.929 15.838 -2.566 1.00 2.72 C ATOM 963 CD LYS A 61 14.213 15.713 -3.915 1.00 2.45 C ATOM 964 CE LYS A 61 14.918 16.369 -5.102 1.00 3.01 C ATOM 965 NZ LYS A 61 14.243 15.989 -6.360 1.00 2.99 N ATOM 0 H LYS A 61 14.293 13.289 -1.592 1.00 1.09 H new ATOM 0 HA LYS A 61 15.217 15.244 0.133 1.00 1.14 H new ATOM 0 HB2 LYS A 61 12.956 15.328 -1.892 1.00 1.25 H new ATOM 0 HB3 LYS A 61 13.631 16.749 -1.119 1.00 1.25 H new ATOM 0 HG2 LYS A 61 15.461 16.787 -2.503 1.00 2.72 H new ATOM 0 HG3 LYS A 61 15.672 15.048 -2.453 1.00 2.72 H new ATOM 0 HD2 LYS A 61 14.077 14.655 -4.137 1.00 2.45 H new ATOM 0 HD3 LYS A 61 13.219 16.149 -3.820 1.00 2.45 H new ATOM 0 HE2 LYS A 61 14.909 17.453 -4.988 1.00 3.01 H new ATOM 0 HE3 LYS A 61 15.963 16.060 -5.132 1.00 3.01 H new ATOM 0 HZ1 LYS A 61 14.651 16.529 -7.150 1.00 2.99 H new ATOM 0 HZ2 LYS A 61 14.376 14.972 -6.532 1.00 2.99 H new ATOM 0 HZ3 LYS A 61 13.227 16.198 -6.286 1.00 2.99 H new ATOM 979 N SER A 62 11.965 14.551 0.524 1.00 0.92 N ATOM 980 CA SER A 62 10.827 14.642 1.434 1.00 0.92 C ATOM 981 C SER A 62 11.187 14.188 2.858 1.00 0.89 C ATOM 982 O SER A 62 10.823 14.846 3.829 1.00 1.04 O ATOM 983 CB SER A 62 9.640 13.847 0.879 1.00 0.97 C ATOM 984 OG SER A 62 9.340 14.251 -0.445 1.00 1.87 O ATOM 0 H SER A 62 11.755 14.079 -0.356 1.00 0.92 H new ATOM 0 HA SER A 62 10.541 15.691 1.505 1.00 0.92 H new ATOM 0 HB2 SER A 62 9.870 12.782 0.896 1.00 0.97 H new ATOM 0 HB3 SER A 62 8.768 13.995 1.516 1.00 0.97 H new ATOM 0 HG SER A 62 9.978 13.840 -1.065 1.00 1.87 H new ATOM 990 N LEU A 63 11.908 13.071 2.983 1.00 0.85 N ATOM 991 CA LEU A 63 12.412 12.588 4.262 1.00 1.00 C ATOM 992 C LEU A 63 13.433 13.572 4.846 1.00 1.10 C ATOM 993 O LEU A 63 13.325 13.954 6.008 1.00 1.22 O ATOM 994 CB LEU A 63 13.026 11.184 4.089 1.00 1.11 C ATOM 995 CG LEU A 63 12.046 9.993 3.987 1.00 1.48 C ATOM 996 CD1 LEU A 63 10.609 10.323 3.553 1.00 1.79 C ATOM 997 CD2 LEU A 63 12.598 8.972 2.987 1.00 2.09 C ATOM 0 H LEU A 63 12.158 12.476 2.193 1.00 0.85 H new ATOM 0 HA LEU A 63 11.583 12.516 4.966 1.00 1.00 H new ATOM 0 HB2 LEU A 63 13.642 11.193 3.190 1.00 1.11 H new ATOM 0 HB3 LEU A 63 13.694 11.001 4.931 1.00 1.11 H new ATOM 0 HG LEU A 63 11.976 9.618 5.008 1.00 1.48 H new ATOM 0 HD11 LEU A 63 10.020 9.407 3.519 1.00 1.79 H new ATOM 0 HD12 LEU A 63 10.163 11.015 4.267 1.00 1.79 H new ATOM 0 HD13 LEU A 63 10.624 10.782 2.564 1.00 1.79 H new ATOM 0 HD21 LEU A 63 11.911 8.129 2.911 1.00 2.09 H new ATOM 0 HD22 LEU A 63 12.706 9.442 2.009 1.00 2.09 H new ATOM 0 HD23 LEU A 63 13.571 8.617 3.328 1.00 2.09 H new ATOM 1009 N ASP A 64 14.430 13.964 4.053 1.00 1.14 N ATOM 1010 CA ASP A 64 15.523 14.833 4.469 1.00 1.35 C ATOM 1011 C ASP A 64 15.005 16.118 5.129 1.00 1.30 C ATOM 1012 O ASP A 64 15.459 16.479 6.215 1.00 1.44 O ATOM 1013 CB ASP A 64 16.403 15.134 3.250 1.00 1.49 C ATOM 1014 CG ASP A 64 17.673 15.869 3.640 1.00 1.87 C ATOM 1015 OD1 ASP A 64 17.614 17.115 3.681 1.00 1.95 O ATOM 1016 OD2 ASP A 64 18.682 15.165 3.859 1.00 3.05 O ATOM 0 H ASP A 64 14.499 13.676 3.077 1.00 1.14 H new ATOM 0 HA ASP A 64 16.121 14.324 5.226 1.00 1.35 H new ATOM 0 HB2 ASP A 64 16.662 14.201 2.749 1.00 1.49 H new ATOM 0 HB3 ASP A 64 15.841 15.734 2.535 1.00 1.49 H new ATOM 1021 N VAL A 65 14.020 16.765 4.485 1.00 1.16 N ATOM 1022 CA VAL A 65 13.435 18.047 4.895 1.00 1.16 C ATOM 1023 C VAL A 65 13.210 18.096 6.402 1.00 1.12 C ATOM 1024 O VAL A 65 13.787 18.926 7.098 1.00 1.26 O ATOM 1025 CB VAL A 65 12.105 18.297 4.156 1.00 1.19 C ATOM 1026 CG1 VAL A 65 11.298 19.472 4.733 1.00 1.89 C ATOM 1027 CG2 VAL A 65 12.375 18.617 2.691 1.00 1.92 C ATOM 0 H VAL A 65 13.596 16.395 3.635 1.00 1.16 H new ATOM 0 HA VAL A 65 14.142 18.833 4.629 1.00 1.16 H new ATOM 0 HB VAL A 65 11.525 17.382 4.277 1.00 1.19 H new ATOM 0 HG11 VAL A 65 10.375 19.592 4.166 1.00 1.89 H new ATOM 0 HG12 VAL A 65 11.059 19.271 5.777 1.00 1.89 H new ATOM 0 HG13 VAL A 65 11.887 20.386 4.665 1.00 1.89 H new ATOM 0 HG21 VAL A 65 11.430 18.792 2.177 1.00 1.92 H new ATOM 0 HG22 VAL A 65 12.997 19.510 2.622 1.00 1.92 H new ATOM 0 HG23 VAL A 65 12.892 17.778 2.225 1.00 1.92 H new ATOM 1037 N ASN A 66 12.332 17.220 6.887 1.00 0.99 N ATOM 1038 CA ASN A 66 12.120 17.054 8.320 1.00 0.99 C ATOM 1039 C ASN A 66 11.505 15.695 8.628 1.00 0.99 C ATOM 1040 O ASN A 66 10.357 15.570 9.056 1.00 1.08 O ATOM 1041 CB ASN A 66 11.340 18.219 8.962 1.00 1.25 C ATOM 1042 CG ASN A 66 12.238 19.240 9.661 1.00 2.08 C ATOM 1043 OD1 ASN A 66 12.079 20.441 9.459 1.00 2.40 O ATOM 1044 ND2 ASN A 66 13.150 18.799 10.527 1.00 3.72 N ATOM 0 H ASN A 66 11.755 16.613 6.305 1.00 0.99 H new ATOM 0 HA ASN A 66 13.104 17.083 8.789 1.00 0.99 H new ATOM 0 HB2 ASN A 66 10.759 18.725 8.191 1.00 1.25 H new ATOM 0 HB3 ASN A 66 10.630 17.816 9.684 1.00 1.25 H new ATOM 0 HD21 ASN A 66 13.732 19.463 11.037 1.00 3.72 H new ATOM 0 HD22 ASN A 66 13.266 17.797 10.680 1.00 3.72 H new ATOM 1051 N GLN A 67 12.331 14.664 8.468 1.00 1.15 N ATOM 1052 CA GLN A 67 12.081 13.321 8.952 1.00 1.34 C ATOM 1053 C GLN A 67 11.573 13.290 10.395 1.00 1.53 C ATOM 1054 O GLN A 67 10.891 12.359 10.822 1.00 1.76 O ATOM 1055 CB GLN A 67 13.365 12.473 8.898 1.00 1.59 C ATOM 1056 CG GLN A 67 14.600 13.095 9.584 1.00 1.77 C ATOM 1057 CD GLN A 67 15.361 14.003 8.634 1.00 1.76 C ATOM 1058 OE1 GLN A 67 16.046 13.489 7.753 1.00 2.28 O ATOM 1059 NE2 GLN A 67 15.221 15.317 8.781 1.00 2.26 N ATOM 0 H GLN A 67 13.222 14.750 7.980 1.00 1.15 H new ATOM 0 HA GLN A 67 11.311 12.915 8.296 1.00 1.34 H new ATOM 0 HB2 GLN A 67 13.162 11.507 9.361 1.00 1.59 H new ATOM 0 HB3 GLN A 67 13.609 12.281 7.853 1.00 1.59 H new ATOM 0 HG2 GLN A 67 14.285 13.663 10.459 1.00 1.77 H new ATOM 0 HG3 GLN A 67 15.259 12.303 9.939 1.00 1.77 H new ATOM 0 HE21 GLN A 67 14.638 15.687 9.532 1.00 2.26 H new ATOM 0 HE22 GLN A 67 15.696 15.955 8.143 1.00 2.26 H new ATOM 1068 N ASP A 68 12.014 14.282 11.160 1.00 1.49 N ATOM 1069 CA ASP A 68 12.036 14.316 12.603 1.00 1.49 C ATOM 1070 C ASP A 68 10.627 14.167 13.191 1.00 1.59 C ATOM 1071 O ASP A 68 10.481 13.752 14.336 1.00 1.80 O ATOM 1072 CB ASP A 68 12.691 15.647 13.022 1.00 1.52 C ATOM 1073 CG ASP A 68 13.970 15.962 12.241 1.00 2.40 C ATOM 1074 OD1 ASP A 68 13.838 16.204 11.014 1.00 3.93 O ATOM 1075 OD2 ASP A 68 15.052 15.927 12.863 1.00 2.98 O ATOM 0 H ASP A 68 12.390 15.138 10.753 1.00 1.49 H new ATOM 0 HA ASP A 68 12.611 13.476 12.993 1.00 1.49 H new ATOM 0 HB2 ASP A 68 11.976 16.457 12.878 1.00 1.52 H new ATOM 0 HB3 ASP A 68 12.922 15.611 14.087 1.00 1.52 H new ATOM 1080 N SER A 69 9.606 14.517 12.398 1.00 1.57 N ATOM 1081 CA SER A 69 8.181 14.401 12.703 1.00 1.66 C ATOM 1082 C SER A 69 7.826 13.087 13.415 1.00 2.08 C ATOM 1083 O SER A 69 7.600 13.066 14.622 1.00 3.90 O ATOM 1084 CB SER A 69 7.408 14.581 11.375 1.00 1.60 C ATOM 1085 OG SER A 69 6.065 14.130 11.434 1.00 3.09 O ATOM 0 H SER A 69 9.767 14.912 11.471 1.00 1.57 H new ATOM 0 HA SER A 69 7.894 15.177 13.413 1.00 1.66 H new ATOM 0 HB2 SER A 69 7.416 15.636 11.100 1.00 1.60 H new ATOM 0 HB3 SER A 69 7.929 14.041 10.585 1.00 1.60 H new ATOM 0 HG SER A 69 6.020 13.196 11.140 1.00 3.09 H new ATOM 1091 N GLU A 70 7.711 12.030 12.613 1.00 0.95 N ATOM 1092 CA GLU A 70 7.069 10.732 12.793 1.00 1.02 C ATOM 1093 C GLU A 70 6.556 10.404 11.393 1.00 0.94 C ATOM 1094 O GLU A 70 6.350 11.327 10.599 1.00 1.12 O ATOM 1095 CB GLU A 70 5.867 10.689 13.761 1.00 1.16 C ATOM 1096 CG GLU A 70 5.896 9.447 14.661 1.00 2.12 C ATOM 1097 CD GLU A 70 4.518 9.124 15.224 1.00 2.85 C ATOM 1098 OE1 GLU A 70 3.596 8.943 14.396 1.00 3.50 O ATOM 1099 OE2 GLU A 70 4.382 9.072 16.463 1.00 3.44 O ATOM 0 H GLU A 70 8.130 12.075 11.684 1.00 0.95 H new ATOM 0 HA GLU A 70 7.789 10.042 13.234 1.00 1.02 H new ATOM 0 HB2 GLU A 70 5.869 11.586 14.381 1.00 1.16 H new ATOM 0 HB3 GLU A 70 4.940 10.700 13.188 1.00 1.16 H new ATOM 0 HG2 GLU A 70 6.265 8.594 14.091 1.00 2.12 H new ATOM 0 HG3 GLU A 70 6.595 9.609 15.481 1.00 2.12 H new ATOM 1106 N LEU A 71 6.356 9.121 11.112 1.00 1.03 N ATOM 1107 CA LEU A 71 5.791 8.593 9.885 1.00 1.10 C ATOM 1108 C LEU A 71 4.562 7.797 10.316 1.00 1.11 C ATOM 1109 O LEU A 71 4.559 7.188 11.386 1.00 1.29 O ATOM 1110 CB LEU A 71 6.870 7.728 9.214 1.00 1.52 C ATOM 1111 CG LEU A 71 6.734 7.371 7.725 1.00 1.06 C ATOM 1112 CD1 LEU A 71 5.710 6.268 7.478 1.00 2.36 C ATOM 1113 CD2 LEU A 71 6.486 8.562 6.797 1.00 2.10 C ATOM 0 H LEU A 71 6.599 8.384 11.774 1.00 1.03 H new ATOM 0 HA LEU A 71 5.491 9.349 9.159 1.00 1.10 H new ATOM 0 HB2 LEU A 71 7.825 8.239 9.342 1.00 1.52 H new ATOM 0 HB3 LEU A 71 6.932 6.793 9.770 1.00 1.52 H new ATOM 0 HG LEU A 71 7.720 6.990 7.460 1.00 1.06 H new ATOM 0 HD11 LEU A 71 5.654 6.056 6.410 1.00 2.36 H new ATOM 0 HD12 LEU A 71 6.010 5.367 8.012 1.00 2.36 H new ATOM 0 HD13 LEU A 71 4.733 6.592 7.835 1.00 2.36 H new ATOM 0 HD21 LEU A 71 6.404 8.211 5.768 1.00 2.10 H new ATOM 0 HD22 LEU A 71 5.561 9.061 7.085 1.00 2.10 H new ATOM 0 HD23 LEU A 71 7.316 9.264 6.876 1.00 2.10 H new ATOM 1125 N LYS A 72 3.500 7.827 9.515 1.00 1.00 N ATOM 1126 CA LYS A 72 2.178 7.313 9.829 1.00 0.90 C ATOM 1127 C LYS A 72 1.622 6.615 8.580 1.00 0.70 C ATOM 1128 O LYS A 72 2.080 6.858 7.459 1.00 0.63 O ATOM 1129 CB LYS A 72 1.278 8.459 10.334 1.00 1.04 C ATOM 1130 CG LYS A 72 2.034 9.385 11.311 1.00 1.30 C ATOM 1131 CD LYS A 72 1.152 10.423 12.024 1.00 1.70 C ATOM 1132 CE LYS A 72 0.294 9.822 13.148 1.00 3.14 C ATOM 1133 NZ LYS A 72 1.092 9.366 14.309 1.00 4.54 N ATOM 0 H LYS A 72 3.545 8.233 8.580 1.00 1.00 H new ATOM 0 HA LYS A 72 2.219 6.578 10.633 1.00 0.90 H new ATOM 0 HB2 LYS A 72 0.918 9.041 9.486 1.00 1.04 H new ATOM 0 HB3 LYS A 72 0.402 8.043 10.831 1.00 1.04 H new ATOM 0 HG2 LYS A 72 2.529 8.771 12.063 1.00 1.30 H new ATOM 0 HG3 LYS A 72 2.817 9.909 10.762 1.00 1.30 H new ATOM 0 HD2 LYS A 72 1.787 11.205 12.440 1.00 1.70 H new ATOM 0 HD3 LYS A 72 0.499 10.898 11.292 1.00 1.70 H new ATOM 0 HE2 LYS A 72 -0.429 10.566 13.482 1.00 3.14 H new ATOM 0 HE3 LYS A 72 -0.274 8.980 12.752 1.00 3.14 H new ATOM 0 HZ1 LYS A 72 0.629 8.545 14.748 1.00 4.54 H new ATOM 0 HZ2 LYS A 72 2.045 9.097 13.991 1.00 4.54 H new ATOM 0 HZ3 LYS A 72 1.164 10.136 15.005 1.00 4.54 H new ATOM 1147 N PHE A 73 0.664 5.705 8.774 1.00 0.72 N ATOM 1148 CA PHE A 73 0.305 4.704 7.770 1.00 0.71 C ATOM 1149 C PHE A 73 -0.100 5.309 6.424 1.00 0.58 C ATOM 1150 O PHE A 73 0.254 4.764 5.385 1.00 0.56 O ATOM 1151 CB PHE A 73 -0.734 3.713 8.319 1.00 0.96 C ATOM 1152 CG PHE A 73 -1.840 4.316 9.161 1.00 0.83 C ATOM 1153 CD1 PHE A 73 -3.066 4.681 8.577 1.00 2.02 C ATOM 1154 CD2 PHE A 73 -1.703 4.334 10.561 1.00 2.28 C ATOM 1155 CE1 PHE A 73 -4.152 5.030 9.398 1.00 2.57 C ATOM 1156 CE2 PHE A 73 -2.768 4.756 11.372 1.00 2.72 C ATOM 1157 CZ PHE A 73 -3.995 5.110 10.791 1.00 2.34 C ATOM 0 H PHE A 73 0.116 5.643 9.632 1.00 0.72 H new ATOM 0 HA PHE A 73 1.211 4.137 7.556 1.00 0.71 H new ATOM 0 HB2 PHE A 73 -1.188 3.189 7.478 1.00 0.96 H new ATOM 0 HB3 PHE A 73 -0.214 2.965 8.918 1.00 0.96 H new ATOM 0 HD1 PHE A 73 -3.173 4.693 7.502 1.00 2.02 H new ATOM 0 HD2 PHE A 73 -0.774 4.022 11.014 1.00 2.28 H new ATOM 0 HE1 PHE A 73 -5.114 5.238 8.954 1.00 2.57 H new ATOM 0 HE2 PHE A 73 -2.643 4.808 12.443 1.00 2.72 H new ATOM 0 HZ PHE A 73 -4.814 5.442 11.412 1.00 2.34 H new ATOM 1167 N ASN A 74 -0.815 6.436 6.424 1.00 0.62 N ATOM 1168 CA ASN A 74 -1.140 7.171 5.200 1.00 0.65 C ATOM 1169 C ASN A 74 0.125 7.526 4.410 1.00 0.56 C ATOM 1170 O ASN A 74 0.224 7.190 3.230 1.00 0.61 O ATOM 1171 CB ASN A 74 -1.954 8.431 5.507 1.00 0.86 C ATOM 1172 CG ASN A 74 -1.338 9.235 6.647 1.00 2.20 C ATOM 1173 OD1 ASN A 74 -1.356 8.784 7.795 1.00 3.36 O ATOM 1174 ND2 ASN A 74 -0.786 10.399 6.348 1.00 3.22 N ATOM 0 H ASN A 74 -1.185 6.865 7.272 1.00 0.62 H new ATOM 0 HA ASN A 74 -1.752 6.515 4.581 1.00 0.65 H new ATOM 0 HB2 ASN A 74 -2.014 9.053 4.614 1.00 0.86 H new ATOM 0 HB3 ASN A 74 -2.974 8.151 5.769 1.00 0.86 H new ATOM 0 HD21 ASN A 74 -0.353 10.961 7.081 1.00 3.22 H new ATOM 0 HD22 ASN A 74 -0.793 10.734 5.385 1.00 3.22 H new ATOM 1181 N GLU A 75 1.091 8.207 5.042 1.00 0.53 N ATOM 1182 CA GLU A 75 2.323 8.599 4.374 1.00 0.56 C ATOM 1183 C GLU A 75 3.054 7.349 3.900 1.00 0.55 C ATOM 1184 O GLU A 75 3.425 7.260 2.730 1.00 0.59 O ATOM 1185 CB GLU A 75 3.239 9.390 5.314 1.00 0.82 C ATOM 1186 CG GLU A 75 2.606 10.666 5.893 1.00 1.38 C ATOM 1187 CD GLU A 75 2.362 10.574 7.395 1.00 2.96 C ATOM 1188 OE1 GLU A 75 3.248 10.013 8.077 1.00 4.26 O ATOM 1189 OE2 GLU A 75 1.294 11.048 7.834 1.00 3.93 O ATOM 0 H GLU A 75 1.035 8.495 6.019 1.00 0.53 H new ATOM 0 HA GLU A 75 2.066 9.236 3.528 1.00 0.56 H new ATOM 0 HB2 GLU A 75 3.540 8.743 6.138 1.00 0.82 H new ATOM 0 HB3 GLU A 75 4.146 9.662 4.774 1.00 0.82 H new ATOM 0 HG2 GLU A 75 3.257 11.515 5.686 1.00 1.38 H new ATOM 0 HG3 GLU A 75 1.660 10.859 5.387 1.00 1.38 H new ATOM 1196 N TYR A 76 3.240 6.394 4.824 1.00 0.56 N ATOM 1197 CA TYR A 76 3.857 5.104 4.540 1.00 0.60 C ATOM 1198 C TYR A 76 3.314 4.580 3.219 1.00 0.55 C ATOM 1199 O TYR A 76 4.075 4.257 2.310 1.00 0.56 O ATOM 1200 CB TYR A 76 3.562 4.110 5.676 1.00 0.70 C ATOM 1201 CG TYR A 76 4.271 2.774 5.560 1.00 0.72 C ATOM 1202 CD1 TYR A 76 3.822 1.809 4.638 1.00 1.83 C ATOM 1203 CD2 TYR A 76 5.288 2.437 6.473 1.00 1.87 C ATOM 1204 CE1 TYR A 76 4.483 0.574 4.532 1.00 1.85 C ATOM 1205 CE2 TYR A 76 5.960 1.209 6.354 1.00 2.15 C ATOM 1206 CZ TYR A 76 5.584 0.298 5.356 1.00 1.33 C ATOM 1207 OH TYR A 76 6.317 -0.833 5.166 1.00 1.80 O ATOM 0 H TYR A 76 2.960 6.504 5.799 1.00 0.56 H new ATOM 0 HA TYR A 76 4.938 5.222 4.468 1.00 0.60 H new ATOM 0 HB2 TYR A 76 3.841 4.571 6.623 1.00 0.70 H new ATOM 0 HB3 TYR A 76 2.487 3.932 5.712 1.00 0.70 H new ATOM 0 HD1 TYR A 76 2.968 2.019 4.011 1.00 1.83 H new ATOM 0 HD2 TYR A 76 5.552 3.122 7.265 1.00 1.87 H new ATOM 0 HE1 TYR A 76 4.144 -0.162 3.817 1.00 1.85 H new ATOM 0 HE2 TYR A 76 6.766 0.967 7.031 1.00 2.15 H new ATOM 0 HH TYR A 76 7.043 -0.867 5.823 1.00 1.80 H new ATOM 1217 N TRP A 77 1.985 4.521 3.119 1.00 0.53 N ATOM 1218 CA TRP A 77 1.314 4.016 1.952 1.00 0.50 C ATOM 1219 C TRP A 77 1.760 4.715 0.676 1.00 0.49 C ATOM 1220 O TRP A 77 2.455 4.120 -0.146 1.00 0.52 O ATOM 1221 CB TRP A 77 -0.193 4.120 2.151 1.00 0.53 C ATOM 1222 CG TRP A 77 -0.835 2.884 1.703 1.00 0.52 C ATOM 1223 CD1 TRP A 77 -1.090 2.584 0.423 1.00 0.51 C ATOM 1224 CD2 TRP A 77 -1.316 1.783 2.505 1.00 0.52 C ATOM 1225 NE1 TRP A 77 -1.668 1.340 0.366 1.00 0.53 N ATOM 1226 CE2 TRP A 77 -1.905 0.835 1.628 1.00 0.53 C ATOM 1227 CE3 TRP A 77 -1.383 1.529 3.887 1.00 0.54 C ATOM 1228 CZ2 TRP A 77 -2.568 -0.297 2.109 1.00 0.56 C ATOM 1229 CZ3 TRP A 77 -2.109 0.426 4.360 1.00 0.55 C ATOM 1230 CH2 TRP A 77 -2.682 -0.489 3.486 1.00 0.55 C ATOM 0 H TRP A 77 1.353 4.828 3.858 1.00 0.53 H new ATOM 0 HA TRP A 77 1.587 2.968 1.828 1.00 0.50 H new ATOM 0 HB2 TRP A 77 -0.419 4.299 3.202 1.00 0.53 H new ATOM 0 HB3 TRP A 77 -0.586 4.969 1.592 1.00 0.53 H new ATOM 0 HD1 TRP A 77 -0.876 3.217 -0.425 1.00 0.51 H new ATOM 0 HE1 TRP A 77 -1.894 0.851 -0.500 1.00 0.53 H new ATOM 0 HE3 TRP A 77 -0.876 2.182 4.582 1.00 0.54 H new ATOM 0 HZ2 TRP A 77 -2.988 -1.016 1.421 1.00 0.56 H new ATOM 0 HZ3 TRP A 77 -2.225 0.285 5.425 1.00 0.55 H new ATOM 0 HH2 TRP A 77 -3.214 -1.346 3.871 1.00 0.55 H new ATOM 1241 N ARG A 78 1.345 5.970 0.502 1.00 0.54 N ATOM 1242 CA ARG A 78 1.718 6.806 -0.618 1.00 0.64 C ATOM 1243 C ARG A 78 3.203 6.608 -0.990 1.00 0.64 C ATOM 1244 O ARG A 78 3.520 6.388 -2.158 1.00 0.74 O ATOM 1245 CB ARG A 78 1.409 8.279 -0.251 1.00 0.81 C ATOM 1246 CG ARG A 78 -0.052 8.602 0.161 1.00 1.91 C ATOM 1247 CD ARG A 78 -0.168 10.038 0.694 1.00 2.15 C ATOM 1248 NE ARG A 78 -1.535 10.377 1.158 1.00 3.90 N ATOM 1249 CZ ARG A 78 -2.028 11.611 1.393 1.00 4.67 C ATOM 1250 NH1 ARG A 78 -1.290 12.692 1.124 1.00 4.17 N ATOM 1251 NH2 ARG A 78 -3.250 11.796 1.900 1.00 6.46 N ATOM 0 H ARG A 78 0.722 6.438 1.161 1.00 0.54 H new ATOM 0 HA ARG A 78 1.141 6.526 -1.499 1.00 0.64 H new ATOM 0 HB2 ARG A 78 2.066 8.571 0.568 1.00 0.81 H new ATOM 0 HB3 ARG A 78 1.668 8.904 -1.105 1.00 0.81 H new ATOM 0 HG2 ARG A 78 -0.712 8.474 -0.697 1.00 1.91 H new ATOM 0 HG3 ARG A 78 -0.382 7.899 0.925 1.00 1.91 H new ATOM 0 HD2 ARG A 78 0.533 10.171 1.518 1.00 2.15 H new ATOM 0 HD3 ARG A 78 0.127 10.735 -0.090 1.00 2.15 H new ATOM 0 HE ARG A 78 -2.170 9.595 1.316 1.00 3.90 H new ATOM 0 HH11 ARG A 78 -0.351 12.586 0.740 1.00 4.17 H new ATOM 0 HH12 ARG A 78 -1.666 13.623 1.303 1.00 4.17 H new ATOM 0 HH21 ARG A 78 -3.838 10.992 2.120 1.00 6.46 H new ATOM 0 HH22 ARG A 78 -3.595 12.741 2.067 1.00 6.46 H new ATOM 1265 N LEU A 79 4.104 6.629 0.000 1.00 0.59 N ATOM 1266 CA LEU A 79 5.535 6.432 -0.215 1.00 0.62 C ATOM 1267 C LEU A 79 5.867 5.041 -0.783 1.00 0.63 C ATOM 1268 O LEU A 79 6.593 4.951 -1.775 1.00 0.75 O ATOM 1269 CB LEU A 79 6.312 6.698 1.085 1.00 0.64 C ATOM 1270 CG LEU A 79 6.603 8.181 1.417 1.00 0.73 C ATOM 1271 CD1 LEU A 79 5.574 9.193 0.896 1.00 0.88 C ATOM 1272 CD2 LEU A 79 6.739 8.366 2.932 1.00 1.04 C ATOM 0 H LEU A 79 3.855 6.784 0.977 1.00 0.59 H new ATOM 0 HA LEU A 79 5.848 7.153 -0.970 1.00 0.62 H new ATOM 0 HB2 LEU A 79 5.751 6.265 1.914 1.00 0.64 H new ATOM 0 HB3 LEU A 79 7.262 6.166 1.031 1.00 0.64 H new ATOM 0 HG LEU A 79 7.534 8.396 0.892 1.00 0.73 H new ATOM 0 HD11 LEU A 79 5.876 10.200 1.185 1.00 0.88 H new ATOM 0 HD12 LEU A 79 5.518 9.128 -0.191 1.00 0.88 H new ATOM 0 HD13 LEU A 79 4.596 8.970 1.323 1.00 0.88 H new ATOM 0 HD21 LEU A 79 6.944 9.413 3.154 1.00 1.04 H new ATOM 0 HD22 LEU A 79 5.811 8.066 3.420 1.00 1.04 H new ATOM 0 HD23 LEU A 79 7.559 7.750 3.302 1.00 1.04 H new ATOM 1284 N ILE A 80 5.383 3.940 -0.194 1.00 0.55 N ATOM 1285 CA ILE A 80 5.664 2.617 -0.769 1.00 0.56 C ATOM 1286 C ILE A 80 5.049 2.494 -2.169 1.00 0.55 C ATOM 1287 O ILE A 80 5.594 1.835 -3.053 1.00 0.58 O ATOM 1288 CB ILE A 80 5.311 1.448 0.169 1.00 0.56 C ATOM 1289 CG1 ILE A 80 3.824 1.287 0.510 1.00 0.68 C ATOM 1290 CG2 ILE A 80 6.067 1.601 1.483 1.00 0.54 C ATOM 1291 CD1 ILE A 80 3.418 -0.192 0.528 1.00 0.66 C ATOM 0 H ILE A 80 4.814 3.934 0.652 1.00 0.55 H new ATOM 0 HA ILE A 80 6.745 2.537 -0.885 1.00 0.56 H new ATOM 0 HB ILE A 80 5.598 0.558 -0.392 1.00 0.56 H new ATOM 0 HG12 ILE A 80 3.620 1.735 1.483 1.00 0.68 H new ATOM 0 HG13 ILE A 80 3.220 1.824 -0.221 1.00 0.68 H new ATOM 0 HG21 ILE A 80 5.816 0.773 2.146 1.00 0.54 H new ATOM 0 HG22 ILE A 80 7.139 1.598 1.288 1.00 0.54 H new ATOM 0 HG23 ILE A 80 5.787 2.542 1.956 1.00 0.54 H new ATOM 0 HD11 ILE A 80 2.359 -0.276 0.772 1.00 0.66 H new ATOM 0 HD12 ILE A 80 3.600 -0.631 -0.453 1.00 0.66 H new ATOM 0 HD13 ILE A 80 4.006 -0.722 1.277 1.00 0.66 H new ATOM 1303 N GLY A 81 3.944 3.200 -2.388 1.00 0.53 N ATOM 1304 CA GLY A 81 3.388 3.442 -3.709 1.00 0.54 C ATOM 1305 C GLY A 81 4.389 4.021 -4.703 1.00 0.59 C ATOM 1306 O GLY A 81 4.368 3.661 -5.882 1.00 0.89 O ATOM 0 H GLY A 81 3.402 3.627 -1.636 1.00 0.53 H new ATOM 0 HA2 GLY A 81 2.997 2.505 -4.106 1.00 0.54 H new ATOM 0 HA3 GLY A 81 2.544 4.126 -3.618 1.00 0.54 H new ATOM 1310 N GLU A 82 5.252 4.938 -4.262 1.00 0.44 N ATOM 1311 CA GLU A 82 6.364 5.380 -5.087 1.00 0.47 C ATOM 1312 C GLU A 82 7.342 4.216 -5.248 1.00 0.54 C ATOM 1313 O GLU A 82 7.674 3.868 -6.369 1.00 0.69 O ATOM 1314 CB GLU A 82 7.007 6.645 -4.521 1.00 0.47 C ATOM 1315 CG GLU A 82 6.008 7.805 -4.457 1.00 0.69 C ATOM 1316 CD GLU A 82 6.636 8.994 -3.757 1.00 1.57 C ATOM 1317 OE1 GLU A 82 7.854 8.888 -3.483 1.00 2.78 O ATOM 1318 OE2 GLU A 82 5.892 9.962 -3.500 1.00 2.44 O ATOM 0 H GLU A 82 5.199 5.382 -3.345 1.00 0.44 H new ATOM 0 HA GLU A 82 6.012 5.663 -6.079 1.00 0.47 H new ATOM 0 HB2 GLU A 82 7.394 6.442 -3.522 1.00 0.47 H new ATOM 0 HB3 GLU A 82 7.857 6.930 -5.140 1.00 0.47 H new ATOM 0 HG2 GLU A 82 5.701 8.087 -5.464 1.00 0.69 H new ATOM 0 HG3 GLU A 82 5.109 7.493 -3.925 1.00 0.69 H new ATOM 1325 N LEU A 83 7.748 3.541 -4.170 1.00 0.49 N ATOM 1326 CA LEU A 83 8.668 2.406 -4.307 1.00 0.57 C ATOM 1327 C LEU A 83 8.230 1.376 -5.369 1.00 0.61 C ATOM 1328 O LEU A 83 9.047 0.944 -6.184 1.00 0.65 O ATOM 1329 CB LEU A 83 8.940 1.737 -2.957 1.00 0.64 C ATOM 1330 CG LEU A 83 9.590 2.666 -1.922 1.00 1.70 C ATOM 1331 CD1 LEU A 83 9.868 1.863 -0.653 1.00 2.75 C ATOM 1332 CD2 LEU A 83 10.913 3.272 -2.412 1.00 2.63 C ATOM 0 H LEU A 83 7.463 3.752 -3.214 1.00 0.49 H new ATOM 0 HA LEU A 83 9.604 2.829 -4.673 1.00 0.57 H new ATOM 0 HB2 LEU A 83 8.000 1.361 -2.553 1.00 0.64 H new ATOM 0 HB3 LEU A 83 9.588 0.874 -3.114 1.00 0.64 H new ATOM 0 HG LEU A 83 8.898 3.488 -1.741 1.00 1.70 H new ATOM 0 HD11 LEU A 83 10.330 2.510 0.093 1.00 2.75 H new ATOM 0 HD12 LEU A 83 8.931 1.468 -0.260 1.00 2.75 H new ATOM 0 HD13 LEU A 83 10.541 1.038 -0.885 1.00 2.75 H new ATOM 0 HD21 LEU A 83 11.325 3.919 -1.638 1.00 2.63 H new ATOM 0 HD22 LEU A 83 11.620 2.472 -2.631 1.00 2.63 H new ATOM 0 HD23 LEU A 83 10.734 3.855 -3.315 1.00 2.63 H new ATOM 1344 N ALA A 84 6.947 1.001 -5.417 1.00 0.63 N ATOM 1345 CA ALA A 84 6.441 0.154 -6.498 1.00 0.72 C ATOM 1346 C ALA A 84 6.604 0.794 -7.894 1.00 0.80 C ATOM 1347 O ALA A 84 6.808 0.093 -8.883 1.00 1.00 O ATOM 1348 CB ALA A 84 4.976 -0.193 -6.220 1.00 0.70 C ATOM 0 H ALA A 84 6.247 1.269 -4.725 1.00 0.63 H new ATOM 0 HA ALA A 84 7.041 -0.756 -6.517 1.00 0.72 H new ATOM 0 HB1 ALA A 84 4.593 -0.824 -7.022 1.00 0.70 H new ATOM 0 HB2 ALA A 84 4.902 -0.726 -5.272 1.00 0.70 H new ATOM 0 HB3 ALA A 84 4.389 0.724 -6.168 1.00 0.70 H new ATOM 1354 N LYS A 85 6.496 2.121 -7.991 1.00 0.76 N ATOM 1355 CA LYS A 85 6.694 2.892 -9.215 1.00 0.93 C ATOM 1356 C LYS A 85 8.185 2.992 -9.582 1.00 0.98 C ATOM 1357 O LYS A 85 8.525 3.048 -10.768 1.00 1.30 O ATOM 1358 CB LYS A 85 6.005 4.254 -9.039 1.00 1.10 C ATOM 1359 CG LYS A 85 6.149 5.238 -10.205 1.00 1.20 C ATOM 1360 CD LYS A 85 7.303 6.220 -9.946 1.00 1.44 C ATOM 1361 CE LYS A 85 7.273 7.355 -10.976 1.00 2.05 C ATOM 1362 NZ LYS A 85 8.340 8.344 -10.730 1.00 2.82 N ATOM 0 H LYS A 85 6.260 2.706 -7.190 1.00 0.76 H new ATOM 0 HA LYS A 85 6.236 2.388 -10.066 1.00 0.93 H new ATOM 0 HB2 LYS A 85 4.943 4.081 -8.865 1.00 1.10 H new ATOM 0 HB3 LYS A 85 6.403 4.726 -8.141 1.00 1.10 H new ATOM 0 HG2 LYS A 85 6.331 4.690 -11.130 1.00 1.20 H new ATOM 0 HG3 LYS A 85 5.218 5.789 -10.339 1.00 1.20 H new ATOM 0 HD2 LYS A 85 7.222 6.630 -8.939 1.00 1.44 H new ATOM 0 HD3 LYS A 85 8.256 5.695 -10.000 1.00 1.44 H new ATOM 0 HE2 LYS A 85 7.385 6.940 -11.978 1.00 2.05 H new ATOM 0 HE3 LYS A 85 6.303 7.851 -10.943 1.00 2.05 H new ATOM 0 HZ1 LYS A 85 8.133 9.217 -11.257 1.00 2.82 H new ATOM 0 HZ2 LYS A 85 8.389 8.557 -9.713 1.00 2.82 H new ATOM 0 HZ3 LYS A 85 9.252 7.957 -11.047 1.00 2.82 H new ATOM 1376 N GLU A 86 9.079 2.998 -8.589 1.00 0.75 N ATOM 1377 CA GLU A 86 10.514 2.913 -8.806 1.00 0.84 C ATOM 1378 C GLU A 86 10.779 1.600 -9.555 1.00 1.16 C ATOM 1379 O GLU A 86 10.900 1.599 -10.780 1.00 1.52 O ATOM 1380 CB GLU A 86 11.298 3.015 -7.476 1.00 0.82 C ATOM 1381 CG GLU A 86 11.533 4.431 -6.913 1.00 0.86 C ATOM 1382 CD GLU A 86 10.286 5.253 -6.619 1.00 1.93 C ATOM 1383 OE1 GLU A 86 9.586 5.562 -7.605 1.00 3.76 O ATOM 1384 OE2 GLU A 86 10.099 5.641 -5.439 1.00 1.99 O ATOM 0 H GLU A 86 8.818 3.063 -7.605 1.00 0.75 H new ATOM 0 HA GLU A 86 10.867 3.753 -9.404 1.00 0.84 H new ATOM 0 HB2 GLU A 86 10.766 2.434 -6.723 1.00 0.82 H new ATOM 0 HB3 GLU A 86 12.269 2.540 -7.617 1.00 0.82 H new ATOM 0 HG2 GLU A 86 12.110 4.342 -5.992 1.00 0.86 H new ATOM 0 HG3 GLU A 86 12.148 4.984 -7.623 1.00 0.86 H new ATOM 1391 N ILE A 87 10.877 0.483 -8.839 1.00 1.13 N ATOM 1392 CA ILE A 87 11.108 -0.833 -9.425 1.00 1.46 C ATOM 1393 C ILE A 87 9.795 -1.480 -9.911 1.00 1.39 C ATOM 1394 O ILE A 87 9.016 -1.986 -9.108 1.00 1.18 O ATOM 1395 CB ILE A 87 11.877 -1.724 -8.436 1.00 1.61 C ATOM 1396 CG1 ILE A 87 12.074 -3.156 -8.966 1.00 2.27 C ATOM 1397 CG2 ILE A 87 11.245 -1.752 -7.040 1.00 1.33 C ATOM 1398 CD1 ILE A 87 12.886 -3.215 -10.262 1.00 2.37 C ATOM 0 H ILE A 87 10.797 0.467 -7.822 1.00 1.13 H new ATOM 0 HA ILE A 87 11.728 -0.715 -10.314 1.00 1.46 H new ATOM 0 HB ILE A 87 12.860 -1.262 -8.340 1.00 1.61 H new ATOM 0 HG12 ILE A 87 12.575 -3.752 -8.204 1.00 2.27 H new ATOM 0 HG13 ILE A 87 11.098 -3.611 -9.136 1.00 2.27 H new ATOM 0 HG21 ILE A 87 11.833 -2.398 -6.387 1.00 1.33 H new ATOM 0 HG22 ILE A 87 11.225 -0.742 -6.629 1.00 1.33 H new ATOM 0 HG23 ILE A 87 10.227 -2.136 -7.109 1.00 1.33 H new ATOM 0 HD11 ILE A 87 12.988 -4.252 -10.581 1.00 2.37 H new ATOM 0 HD12 ILE A 87 12.375 -2.645 -11.038 1.00 2.37 H new ATOM 0 HD13 ILE A 87 13.875 -2.789 -10.091 1.00 2.37 H new ATOM 1410 N ARG A 88 9.564 -1.573 -11.224 1.00 1.73 N ATOM 1411 CA ARG A 88 8.352 -2.212 -11.742 1.00 1.90 C ATOM 1412 C ARG A 88 8.524 -3.740 -11.761 1.00 2.03 C ATOM 1413 O ARG A 88 8.575 -4.356 -12.827 1.00 2.73 O ATOM 1414 CB ARG A 88 8.002 -1.674 -13.141 1.00 2.40 C ATOM 1415 CG ARG A 88 7.363 -0.276 -13.135 1.00 2.51 C ATOM 1416 CD ARG A 88 8.335 0.874 -12.866 1.00 2.63 C ATOM 1417 NE ARG A 88 9.345 1.005 -13.926 1.00 2.56 N ATOM 1418 CZ ARG A 88 10.195 2.039 -14.026 1.00 3.69 C ATOM 1419 NH1 ARG A 88 10.309 2.912 -13.020 1.00 4.86 N ATOM 1420 NH2 ARG A 88 10.917 2.196 -15.143 1.00 4.56 N ATOM 0 H ARG A 88 10.195 -1.217 -11.942 1.00 1.73 H new ATOM 0 HA ARG A 88 7.521 -1.969 -11.080 1.00 1.90 H new ATOM 0 HB2 ARG A 88 8.909 -1.644 -13.744 1.00 2.40 H new ATOM 0 HB3 ARG A 88 7.319 -2.372 -13.626 1.00 2.40 H new ATOM 0 HG2 ARG A 88 6.882 -0.108 -14.098 1.00 2.51 H new ATOM 0 HG3 ARG A 88 6.578 -0.254 -12.379 1.00 2.51 H new ATOM 0 HD2 ARG A 88 7.777 1.807 -12.780 1.00 2.63 H new ATOM 0 HD3 ARG A 88 8.833 0.711 -11.910 1.00 2.63 H new ATOM 0 HE ARG A 88 9.403 0.266 -14.627 1.00 2.56 H new ATOM 0 HH11 ARG A 88 9.750 2.793 -12.175 1.00 4.86 H new ATOM 0 HH12 ARG A 88 10.955 3.697 -13.097 1.00 4.86 H new ATOM 0 HH21 ARG A 88 10.819 1.532 -15.911 1.00 4.56 H new ATOM 0 HH22 ARG A 88 11.565 2.980 -15.226 1.00 4.56 H new ATOM 1434 N LYS A 89 8.601 -4.366 -10.579 1.00 1.50 N ATOM 1435 CA LYS A 89 8.742 -5.818 -10.466 1.00 1.51 C ATOM 1436 C LYS A 89 7.439 -6.546 -10.833 1.00 2.58 C ATOM 1437 O LYS A 89 6.697 -7.009 -9.975 1.00 3.48 O ATOM 1438 CB LYS A 89 9.374 -6.242 -9.124 1.00 1.27 C ATOM 1439 CG LYS A 89 8.572 -6.140 -7.814 1.00 1.07 C ATOM 1440 CD LYS A 89 8.019 -4.753 -7.465 1.00 1.26 C ATOM 1441 CE LYS A 89 7.504 -4.678 -6.016 1.00 1.67 C ATOM 1442 NZ LYS A 89 8.546 -4.945 -4.996 1.00 2.66 N ATOM 0 H LYS A 89 8.567 -3.881 -9.682 1.00 1.50 H new ATOM 0 HA LYS A 89 9.464 -6.147 -11.214 1.00 1.51 H new ATOM 0 HB2 LYS A 89 9.686 -7.281 -9.230 1.00 1.27 H new ATOM 0 HB3 LYS A 89 10.279 -5.649 -8.994 1.00 1.27 H new ATOM 0 HG2 LYS A 89 7.737 -6.838 -7.868 1.00 1.07 H new ATOM 0 HG3 LYS A 89 9.211 -6.470 -6.995 1.00 1.07 H new ATOM 0 HD2 LYS A 89 8.799 -4.006 -7.610 1.00 1.26 H new ATOM 0 HD3 LYS A 89 7.208 -4.504 -8.150 1.00 1.26 H new ATOM 0 HE2 LYS A 89 7.083 -3.688 -5.841 1.00 1.67 H new ATOM 0 HE3 LYS A 89 6.694 -5.396 -5.891 1.00 1.67 H new ATOM 0 HZ1 LYS A 89 8.265 -4.514 -4.092 1.00 2.66 H new ATOM 0 HZ2 LYS A 89 8.655 -5.972 -4.871 1.00 2.66 H new ATOM 0 HZ3 LYS A 89 9.450 -4.536 -5.308 1.00 2.66 H new ATOM 1456 N LYS A 90 7.155 -6.640 -12.134 1.00 3.33 N ATOM 1457 CA LYS A 90 5.876 -7.106 -12.659 1.00 4.49 C ATOM 1458 C LYS A 90 5.843 -8.620 -12.955 1.00 3.75 C ATOM 1459 O LYS A 90 4.791 -9.120 -13.372 1.00 4.62 O ATOM 1460 CB LYS A 90 5.537 -6.247 -13.893 1.00 6.02 C ATOM 1461 CG LYS A 90 4.053 -6.286 -14.282 1.00 7.82 C ATOM 1462 CD LYS A 90 3.750 -5.264 -15.387 1.00 9.28 C ATOM 1463 CE LYS A 90 2.320 -5.460 -15.908 1.00 11.02 C ATOM 1464 NZ LYS A 90 1.946 -4.447 -16.912 1.00 12.07 N ATOM 0 H LYS A 90 7.822 -6.389 -12.863 1.00 3.33 H new ATOM 0 HA LYS A 90 5.109 -6.980 -11.895 1.00 4.49 H new ATOM 0 HB2 LYS A 90 5.825 -5.214 -13.696 1.00 6.02 H new ATOM 0 HB3 LYS A 90 6.134 -6.589 -14.738 1.00 6.02 H new ATOM 0 HG2 LYS A 90 3.789 -7.287 -14.624 1.00 7.82 H new ATOM 0 HG3 LYS A 90 3.438 -6.075 -13.407 1.00 7.82 H new ATOM 0 HD2 LYS A 90 3.869 -4.252 -15.000 1.00 9.28 H new ATOM 0 HD3 LYS A 90 4.462 -5.378 -16.204 1.00 9.28 H new ATOM 0 HE2 LYS A 90 2.229 -6.454 -16.346 1.00 11.02 H new ATOM 0 HE3 LYS A 90 1.622 -5.415 -15.072 1.00 11.02 H new ATOM 0 HZ1 LYS A 90 0.917 -4.467 -17.059 1.00 12.07 H new ATOM 0 HZ2 LYS A 90 2.229 -3.504 -16.576 1.00 12.07 H new ATOM 0 HZ3 LYS A 90 2.428 -4.654 -17.810 1.00 12.07 H new ATOM 1478 N LYS A 91 6.961 -9.346 -12.775 1.00 2.57 N ATOM 1479 CA LYS A 91 7.059 -10.756 -13.165 1.00 2.35 C ATOM 1480 C LYS A 91 7.403 -11.702 -12.001 1.00 2.33 C ATOM 1481 O LYS A 91 6.560 -12.530 -11.663 1.00 3.03 O ATOM 1482 CB LYS A 91 8.066 -10.896 -14.319 1.00 2.49 C ATOM 1483 CG LYS A 91 7.979 -12.284 -14.970 1.00 3.07 C ATOM 1484 CD LYS A 91 9.068 -12.466 -16.036 1.00 3.57 C ATOM 1485 CE LYS A 91 9.122 -13.922 -16.525 1.00 4.30 C ATOM 1486 NZ LYS A 91 9.786 -14.808 -15.543 1.00 5.01 N ATOM 0 H LYS A 91 7.813 -8.972 -12.358 1.00 2.57 H new ATOM 0 HA LYS A 91 6.069 -11.068 -13.497 1.00 2.35 H new ATOM 0 HB2 LYS A 91 7.873 -10.128 -15.068 1.00 2.49 H new ATOM 0 HB3 LYS A 91 9.076 -10.730 -13.945 1.00 2.49 H new ATOM 0 HG2 LYS A 91 8.082 -13.054 -14.206 1.00 3.07 H new ATOM 0 HG3 LYS A 91 6.997 -12.415 -15.424 1.00 3.07 H new ATOM 0 HD2 LYS A 91 8.872 -11.803 -16.878 1.00 3.57 H new ATOM 0 HD3 LYS A 91 10.036 -12.181 -15.624 1.00 3.57 H new ATOM 0 HE2 LYS A 91 8.110 -14.280 -16.711 1.00 4.30 H new ATOM 0 HE3 LYS A 91 9.656 -13.967 -17.474 1.00 4.30 H new ATOM 0 HZ1 LYS A 91 10.503 -15.386 -16.026 1.00 5.01 H new ATOM 0 HZ2 LYS A 91 10.243 -14.231 -14.808 1.00 5.01 H new ATOM 0 HZ3 LYS A 91 9.079 -15.431 -15.104 1.00 5.01 H new ATOM 1500 N ASP A 92 8.588 -11.600 -11.380 1.00 1.96 N ATOM 1501 CA ASP A 92 9.103 -12.568 -10.441 1.00 2.13 C ATOM 1502 C ASP A 92 9.648 -11.712 -9.304 1.00 1.75 C ATOM 1503 O ASP A 92 10.568 -10.922 -9.503 1.00 2.42 O ATOM 1504 CB ASP A 92 10.201 -13.419 -11.095 1.00 2.70 C ATOM 1505 CG ASP A 92 9.843 -14.042 -12.435 1.00 3.68 C ATOM 1506 OD1 ASP A 92 8.911 -14.865 -12.527 1.00 4.23 O ATOM 1507 OD2 ASP A 92 10.501 -13.685 -13.434 1.00 4.63 O ATOM 0 H ASP A 92 9.221 -10.814 -11.532 1.00 1.96 H new ATOM 0 HA ASP A 92 8.353 -13.279 -10.095 1.00 2.13 H new ATOM 0 HB2 ASP A 92 11.086 -12.797 -11.229 1.00 2.70 H new ATOM 0 HB3 ASP A 92 10.475 -14.218 -10.406 1.00 2.70 H new ATOM 1512 N LEU A 93 9.009 -11.799 -8.144 1.00 1.66 N ATOM 1513 CA LEU A 93 9.406 -11.090 -6.932 1.00 1.67 C ATOM 1514 C LEU A 93 10.536 -11.800 -6.180 1.00 1.12 C ATOM 1515 O LEU A 93 11.630 -11.258 -6.030 1.00 1.26 O ATOM 1516 CB LEU A 93 8.173 -10.969 -6.025 1.00 2.69 C ATOM 1517 CG LEU A 93 7.277 -9.767 -6.345 1.00 2.04 C ATOM 1518 CD1 LEU A 93 7.783 -8.528 -5.604 1.00 2.44 C ATOM 1519 CD2 LEU A 93 7.047 -9.515 -7.841 1.00 2.77 C ATOM 0 H LEU A 93 8.180 -12.379 -8.016 1.00 1.66 H new ATOM 0 HA LEU A 93 9.786 -10.109 -7.215 1.00 1.67 H new ATOM 0 HB2 LEU A 93 7.583 -11.881 -6.109 1.00 2.69 H new ATOM 0 HB3 LEU A 93 8.503 -10.897 -4.989 1.00 2.69 H new ATOM 0 HG LEU A 93 6.281 -10.014 -5.978 1.00 2.04 H new ATOM 0 HD11 LEU A 93 7.142 -7.678 -5.836 1.00 2.44 H new ATOM 0 HD12 LEU A 93 7.765 -8.714 -4.530 1.00 2.44 H new ATOM 0 HD13 LEU A 93 8.804 -8.308 -5.917 1.00 2.44 H new ATOM 0 HD21 LEU A 93 6.402 -8.646 -7.969 1.00 2.77 H new ATOM 0 HD22 LEU A 93 8.004 -9.332 -8.330 1.00 2.77 H new ATOM 0 HD23 LEU A 93 6.572 -10.388 -8.288 1.00 2.77 H new ATOM 1531 N LYS A 94 10.280 -13.027 -5.707 1.00 1.11 N ATOM 1532 CA LYS A 94 11.116 -13.651 -4.676 1.00 1.13 C ATOM 1533 C LYS A 94 12.486 -14.028 -5.221 1.00 1.35 C ATOM 1534 O LYS A 94 13.423 -14.182 -4.460 1.00 1.71 O ATOM 1535 CB LYS A 94 10.401 -14.818 -3.962 1.00 1.62 C ATOM 1536 CG LYS A 94 9.181 -14.236 -3.247 1.00 1.67 C ATOM 1537 CD LYS A 94 8.168 -15.208 -2.622 1.00 2.04 C ATOM 1538 CE LYS A 94 6.816 -14.469 -2.649 1.00 2.14 C ATOM 1539 NZ LYS A 94 5.842 -14.861 -1.615 1.00 2.84 N ATOM 0 H LYS A 94 9.501 -13.606 -6.022 1.00 1.11 H new ATOM 0 HA LYS A 94 11.288 -12.903 -3.902 1.00 1.13 H new ATOM 0 HB2 LYS A 94 10.098 -15.580 -4.680 1.00 1.62 H new ATOM 0 HB3 LYS A 94 11.070 -15.300 -3.249 1.00 1.62 H new ATOM 0 HG2 LYS A 94 9.542 -13.579 -2.456 1.00 1.67 H new ATOM 0 HG3 LYS A 94 8.645 -13.611 -3.961 1.00 1.67 H new ATOM 0 HD2 LYS A 94 8.118 -16.139 -3.187 1.00 2.04 H new ATOM 0 HD3 LYS A 94 8.452 -15.469 -1.603 1.00 2.04 H new ATOM 0 HE2 LYS A 94 7.007 -13.400 -2.553 1.00 2.14 H new ATOM 0 HE3 LYS A 94 6.360 -14.624 -3.627 1.00 2.14 H new ATOM 0 HZ1 LYS A 94 4.972 -14.302 -1.728 1.00 2.84 H new ATOM 0 HZ2 LYS A 94 5.619 -15.872 -1.714 1.00 2.84 H new ATOM 0 HZ3 LYS A 94 6.246 -14.686 -0.673 1.00 2.84 H new ATOM 1553 N ILE A 95 12.621 -14.128 -6.537 1.00 1.41 N ATOM 1554 CA ILE A 95 13.905 -14.144 -7.224 1.00 1.99 C ATOM 1555 C ILE A 95 14.912 -13.132 -6.657 1.00 2.29 C ATOM 1556 O ILE A 95 16.103 -13.435 -6.583 1.00 2.83 O ATOM 1557 CB ILE A 95 13.629 -13.955 -8.735 1.00 2.14 C ATOM 1558 CG1 ILE A 95 13.012 -15.204 -9.378 1.00 2.09 C ATOM 1559 CG2 ILE A 95 12.714 -12.776 -8.991 1.00 2.85 C ATOM 1560 CD1 ILE A 95 14.092 -16.234 -9.677 1.00 2.87 C ATOM 0 H ILE A 95 11.824 -14.202 -7.169 1.00 1.41 H new ATOM 0 HA ILE A 95 14.395 -15.104 -7.060 1.00 1.99 H new ATOM 0 HB ILE A 95 14.602 -13.770 -9.191 1.00 2.14 H new ATOM 0 HG12 ILE A 95 12.265 -15.634 -8.710 1.00 2.09 H new ATOM 0 HG13 ILE A 95 12.496 -14.930 -10.299 1.00 2.09 H new ATOM 0 HG21 ILE A 95 12.543 -12.674 -10.063 1.00 2.85 H new ATOM 0 HG22 ILE A 95 11.762 -12.938 -8.485 1.00 2.85 H new ATOM 0 HG23 ILE A 95 13.178 -11.866 -8.610 1.00 2.85 H new ATOM 0 HD11 ILE A 95 13.639 -17.114 -10.133 1.00 2.87 H new ATOM 0 HD12 ILE A 95 14.823 -15.806 -10.363 1.00 2.87 H new ATOM 0 HD13 ILE A 95 14.588 -16.520 -8.750 1.00 2.87 H new ATOM 1572 N ARG A 96 14.468 -11.963 -6.173 1.00 2.13 N ATOM 1573 CA ARG A 96 15.276 -11.167 -5.250 1.00 2.52 C ATOM 1574 C ARG A 96 16.298 -10.299 -6.004 1.00 3.24 C ATOM 1575 O ARG A 96 16.282 -9.068 -5.941 1.00 4.06 O ATOM 1576 CB ARG A 96 14.353 -10.401 -4.287 1.00 4.27 C ATOM 1577 CG ARG A 96 14.805 -10.488 -2.825 1.00 4.29 C ATOM 1578 CD ARG A 96 16.010 -9.609 -2.490 1.00 4.76 C ATOM 1579 NE ARG A 96 17.302 -10.121 -2.975 1.00 4.16 N ATOM 1580 CZ ARG A 96 18.281 -9.305 -3.403 1.00 5.01 C ATOM 1581 NH1 ARG A 96 17.976 -8.184 -4.062 1.00 6.12 N ATOM 1582 NH2 ARG A 96 19.560 -9.616 -3.166 1.00 5.41 N ATOM 0 H ARG A 96 13.563 -11.554 -6.405 1.00 2.13 H new ATOM 0 HA ARG A 96 15.890 -11.818 -4.627 1.00 2.52 H new ATOM 0 HB2 ARG A 96 14.313 -9.354 -4.587 1.00 4.27 H new ATOM 0 HB3 ARG A 96 13.341 -10.796 -4.372 1.00 4.27 H new ATOM 0 HG2 ARG A 96 13.972 -10.205 -2.181 1.00 4.29 H new ATOM 0 HG3 ARG A 96 15.049 -11.525 -2.593 1.00 4.29 H new ATOM 0 HD2 ARG A 96 15.847 -8.617 -2.912 1.00 4.76 H new ATOM 0 HD3 ARG A 96 16.065 -9.490 -1.408 1.00 4.76 H new ATOM 0 HE ARG A 96 17.460 -11.129 -2.987 1.00 4.16 H new ATOM 0 HH11 ARG A 96 17.000 -7.947 -4.241 1.00 6.12 H new ATOM 0 HH12 ARG A 96 18.719 -7.565 -4.387 1.00 6.12 H new ATOM 0 HH21 ARG A 96 19.792 -10.471 -2.661 1.00 5.41 H new ATOM 0 HH22 ARG A 96 20.304 -8.998 -3.490 1.00 5.41 H new ATOM 1681 N GLU B 4 13.668 -15.897 -0.888 1.00 2.44 N ATOM 1682 CA GLU B 4 14.750 -14.944 -0.616 1.00 1.96 C ATOM 1683 C GLU B 4 14.221 -13.753 0.165 1.00 1.45 C ATOM 1684 O GLU B 4 13.005 -13.691 0.321 1.00 2.09 O ATOM 1685 CB GLU B 4 15.196 -14.414 -1.979 1.00 2.33 C ATOM 1686 CG GLU B 4 15.731 -15.548 -2.825 1.00 4.58 C ATOM 1687 CD GLU B 4 17.204 -15.852 -2.597 1.00 6.03 C ATOM 1688 OE1 GLU B 4 18.000 -14.913 -2.358 1.00 6.33 O ATOM 1689 OE2 GLU B 4 17.589 -17.032 -2.747 1.00 7.34 O ATOM 0 HA GLU B 4 15.547 -15.427 -0.051 1.00 1.96 H new ATOM 0 HB2 GLU B 4 14.357 -13.936 -2.485 1.00 2.33 H new ATOM 0 HB3 GLU B 4 15.965 -13.653 -1.848 1.00 2.33 H new ATOM 0 HG2 GLU B 4 15.150 -16.447 -2.619 1.00 4.58 H new ATOM 0 HG3 GLU B 4 15.580 -15.305 -3.877 1.00 4.58 H new ATOM 1696 N PRO B 5 15.089 -12.807 0.593 1.00 1.40 N ATOM 1697 CA PRO B 5 14.761 -11.662 1.449 1.00 1.86 C ATOM 1698 C PRO B 5 13.747 -10.630 0.925 1.00 1.97 C ATOM 1699 O PRO B 5 13.903 -9.450 1.218 1.00 2.36 O ATOM 1700 CB PRO B 5 16.101 -10.986 1.769 1.00 2.60 C ATOM 1701 CG PRO B 5 17.105 -12.125 1.654 1.00 2.43 C ATOM 1702 CD PRO B 5 16.542 -12.892 0.464 1.00 1.83 C ATOM 0 HA PRO B 5 14.232 -12.062 2.314 1.00 1.86 H new ATOM 0 HB2 PRO B 5 16.323 -10.182 1.068 1.00 2.60 H new ATOM 0 HB3 PRO B 5 16.102 -10.548 2.767 1.00 2.60 H new ATOM 0 HG2 PRO B 5 18.117 -11.765 1.471 1.00 2.43 H new ATOM 0 HG3 PRO B 5 17.142 -12.734 2.557 1.00 2.43 H new ATOM 0 HD2 PRO B 5 16.878 -12.457 -0.477 1.00 1.83 H new ATOM 0 HD3 PRO B 5 16.876 -13.929 0.473 1.00 1.83 H new ATOM 1710 N LEU B 6 12.658 -11.037 0.269 1.00 1.98 N ATOM 1711 CA LEU B 6 11.458 -10.203 0.262 1.00 2.11 C ATOM 1712 C LEU B 6 10.783 -10.464 1.609 1.00 1.99 C ATOM 1713 O LEU B 6 10.596 -11.617 1.964 1.00 2.42 O ATOM 1714 CB LEU B 6 10.573 -10.538 -0.964 1.00 2.26 C ATOM 1715 CG LEU B 6 9.122 -11.014 -0.722 1.00 2.03 C ATOM 1716 CD1 LEU B 6 8.350 -10.919 -2.049 1.00 3.27 C ATOM 1717 CD2 LEU B 6 9.026 -12.451 -0.184 1.00 2.30 C ATOM 0 H LEU B 6 12.583 -11.912 -0.249 1.00 1.98 H new ATOM 0 HA LEU B 6 11.671 -9.139 0.157 1.00 2.11 H new ATOM 0 HB2 LEU B 6 10.529 -9.649 -1.593 1.00 2.26 H new ATOM 0 HB3 LEU B 6 11.083 -11.311 -1.539 1.00 2.26 H new ATOM 0 HG LEU B 6 8.694 -10.367 0.044 1.00 2.03 H new ATOM 0 HD11 LEU B 6 7.323 -11.251 -1.897 1.00 3.27 H new ATOM 0 HD12 LEU B 6 8.349 -9.886 -2.396 1.00 3.27 H new ATOM 0 HD13 LEU B 6 8.830 -11.552 -2.795 1.00 3.27 H new ATOM 0 HD21 LEU B 6 7.979 -12.716 -0.039 1.00 2.30 H new ATOM 0 HD22 LEU B 6 9.478 -13.138 -0.899 1.00 2.30 H new ATOM 0 HD23 LEU B 6 9.553 -12.519 0.768 1.00 2.30 H new ATOM 1729 N THR B 7 10.502 -9.428 2.404 1.00 1.55 N ATOM 1730 CA THR B 7 9.843 -9.592 3.702 1.00 1.55 C ATOM 1731 C THR B 7 8.337 -9.346 3.571 1.00 1.60 C ATOM 1732 O THR B 7 7.848 -8.919 2.533 1.00 1.76 O ATOM 1733 CB THR B 7 10.574 -8.706 4.740 1.00 1.42 C ATOM 1734 OG1 THR B 7 11.673 -9.417 5.265 1.00 1.56 O ATOM 1735 CG2 THR B 7 9.794 -8.217 5.966 1.00 1.64 C ATOM 0 H THR B 7 10.723 -8.460 2.169 1.00 1.55 H new ATOM 0 HA THR B 7 9.917 -10.616 4.067 1.00 1.55 H new ATOM 0 HB THR B 7 10.810 -7.819 4.153 1.00 1.42 H new ATOM 0 HG1 THR B 7 12.140 -8.859 5.922 1.00 1.56 H new ATOM 0 HG21 THR B 7 10.446 -7.610 6.594 1.00 1.64 H new ATOM 0 HG22 THR B 7 8.943 -7.618 5.641 1.00 1.64 H new ATOM 0 HG23 THR B 7 9.437 -9.075 6.536 1.00 1.64 H new ATOM 1743 N GLU B 8 7.625 -9.606 4.664 1.00 1.58 N ATOM 1744 CA GLU B 8 6.203 -9.478 4.935 1.00 1.58 C ATOM 1745 C GLU B 8 5.621 -8.228 4.247 1.00 1.65 C ATOM 1746 O GLU B 8 4.549 -8.273 3.641 1.00 1.77 O ATOM 1747 CB GLU B 8 6.040 -9.442 6.482 1.00 1.55 C ATOM 1748 CG GLU B 8 6.435 -10.752 7.227 1.00 2.03 C ATOM 1749 CD GLU B 8 7.913 -11.168 7.200 1.00 2.98 C ATOM 1750 OE1 GLU B 8 8.363 -11.669 6.145 1.00 4.32 O ATOM 1751 OE2 GLU B 8 8.671 -10.930 8.167 1.00 3.38 O ATOM 0 H GLU B 8 8.104 -9.960 5.492 1.00 1.58 H new ATOM 0 HA GLU B 8 5.643 -10.320 4.527 1.00 1.58 H new ATOM 0 HB2 GLU B 8 6.644 -8.624 6.875 1.00 1.55 H new ATOM 0 HB3 GLU B 8 5.001 -9.211 6.715 1.00 1.55 H new ATOM 0 HG2 GLU B 8 6.134 -10.649 8.270 1.00 2.03 H new ATOM 0 HG3 GLU B 8 5.849 -11.568 6.805 1.00 2.03 H new ATOM 1758 N LEU B 9 6.351 -7.107 4.288 1.00 1.66 N ATOM 1759 CA LEU B 9 5.968 -5.913 3.554 1.00 1.81 C ATOM 1760 C LEU B 9 6.024 -6.173 2.043 1.00 1.84 C ATOM 1761 O LEU B 9 4.971 -6.104 1.417 1.00 2.14 O ATOM 1762 CB LEU B 9 6.819 -4.708 3.961 1.00 1.80 C ATOM 1763 CG LEU B 9 6.591 -4.169 5.388 1.00 1.88 C ATOM 1764 CD1 LEU B 9 5.126 -3.784 5.637 1.00 2.90 C ATOM 1765 CD2 LEU B 9 7.095 -5.097 6.502 1.00 2.50 C ATOM 0 H LEU B 9 7.212 -7.010 4.826 1.00 1.66 H new ATOM 0 HA LEU B 9 4.938 -5.668 3.811 1.00 1.81 H new ATOM 0 HB2 LEU B 9 7.870 -4.980 3.861 1.00 1.80 H new ATOM 0 HB3 LEU B 9 6.630 -3.900 3.254 1.00 1.80 H new ATOM 0 HG LEU B 9 7.203 -3.269 5.436 1.00 1.88 H new ATOM 0 HD11 LEU B 9 5.016 -3.410 6.655 1.00 2.90 H new ATOM 0 HD12 LEU B 9 4.829 -3.008 4.931 1.00 2.90 H new ATOM 0 HD13 LEU B 9 4.492 -4.660 5.502 1.00 2.90 H new ATOM 0 HD21 LEU B 9 6.895 -4.642 7.472 1.00 2.50 H new ATOM 0 HD22 LEU B 9 6.580 -6.056 6.438 1.00 2.50 H new ATOM 0 HD23 LEU B 9 8.168 -5.253 6.388 1.00 2.50 H new ATOM 1777 N GLU B 10 7.187 -6.508 1.454 1.00 1.63 N ATOM 1778 CA GLU B 10 7.251 -7.011 0.069 1.00 1.74 C ATOM 1779 C GLU B 10 6.114 -7.984 -0.266 1.00 1.72 C ATOM 1780 O GLU B 10 5.468 -7.815 -1.292 1.00 1.78 O ATOM 1781 CB GLU B 10 8.598 -7.629 -0.318 1.00 1.83 C ATOM 1782 CG GLU B 10 9.556 -6.636 -0.972 1.00 1.20 C ATOM 1783 CD GLU B 10 9.117 -6.126 -2.348 1.00 2.04 C ATOM 1784 OE1 GLU B 10 9.347 -6.806 -3.373 1.00 2.61 O ATOM 1785 OE2 GLU B 10 8.576 -5.003 -2.428 1.00 3.29 O ATOM 0 H GLU B 10 8.094 -6.440 1.915 1.00 1.63 H new ATOM 0 HA GLU B 10 7.129 -6.112 -0.535 1.00 1.74 H new ATOM 0 HB2 GLU B 10 9.069 -8.043 0.574 1.00 1.83 H new ATOM 0 HB3 GLU B 10 8.425 -8.460 -1.002 1.00 1.83 H new ATOM 0 HG2 GLU B 10 9.680 -5.782 -0.307 1.00 1.20 H new ATOM 0 HG3 GLU B 10 10.534 -7.108 -1.071 1.00 1.20 H new ATOM 1792 N GLU B 11 5.840 -8.983 0.573 1.00 1.69 N ATOM 1793 CA GLU B 11 4.721 -9.886 0.317 1.00 1.71 C ATOM 1794 C GLU B 11 3.379 -9.136 0.218 1.00 1.57 C ATOM 1795 O GLU B 11 2.511 -9.481 -0.584 1.00 1.64 O ATOM 1796 CB GLU B 11 4.686 -11.036 1.328 1.00 1.73 C ATOM 1797 CG GLU B 11 6.008 -11.817 1.289 1.00 1.94 C ATOM 1798 CD GLU B 11 5.833 -13.273 1.696 1.00 2.32 C ATOM 1799 OE1 GLU B 11 5.300 -13.501 2.800 1.00 2.76 O ATOM 1800 OE2 GLU B 11 6.219 -14.139 0.874 1.00 3.09 O ATOM 0 H GLU B 11 6.368 -9.185 1.422 1.00 1.69 H new ATOM 0 HA GLU B 11 4.883 -10.336 -0.662 1.00 1.71 H new ATOM 0 HB2 GLU B 11 4.517 -10.643 2.331 1.00 1.73 H new ATOM 0 HB3 GLU B 11 3.854 -11.703 1.102 1.00 1.73 H new ATOM 0 HG2 GLU B 11 6.424 -11.771 0.283 1.00 1.94 H new ATOM 0 HG3 GLU B 11 6.728 -11.341 1.954 1.00 1.94 H new ATOM 1807 N SER B 12 3.197 -8.060 0.983 1.00 1.45 N ATOM 1808 CA SER B 12 2.021 -7.221 0.835 1.00 1.35 C ATOM 1809 C SER B 12 2.064 -6.495 -0.514 1.00 1.19 C ATOM 1810 O SER B 12 1.047 -6.412 -1.203 1.00 1.20 O ATOM 1811 CB SER B 12 1.917 -6.243 2.007 1.00 1.38 C ATOM 1812 OG SER B 12 2.100 -6.906 3.246 1.00 1.98 O ATOM 0 H SER B 12 3.848 -7.755 1.706 1.00 1.45 H new ATOM 0 HA SER B 12 1.126 -7.843 0.849 1.00 1.35 H new ATOM 0 HB2 SER B 12 2.666 -5.459 1.897 1.00 1.38 H new ATOM 0 HB3 SER B 12 0.942 -5.756 1.993 1.00 1.38 H new ATOM 0 HG SER B 12 3.031 -7.201 3.325 1.00 1.98 H new ATOM 1818 N ILE B 13 3.244 -5.988 -0.900 1.00 1.13 N ATOM 1819 CA ILE B 13 3.459 -5.345 -2.197 1.00 1.08 C ATOM 1820 C ILE B 13 3.057 -6.312 -3.321 1.00 1.14 C ATOM 1821 O ILE B 13 2.240 -5.958 -4.173 1.00 1.07 O ATOM 1822 CB ILE B 13 4.919 -4.866 -2.387 1.00 1.20 C ATOM 1823 CG1 ILE B 13 5.565 -4.157 -1.184 1.00 1.46 C ATOM 1824 CG2 ILE B 13 5.072 -3.954 -3.608 1.00 1.05 C ATOM 1825 CD1 ILE B 13 4.848 -2.964 -0.579 1.00 1.98 C ATOM 0 H ILE B 13 4.079 -6.015 -0.315 1.00 1.13 H new ATOM 0 HA ILE B 13 2.832 -4.454 -2.234 1.00 1.08 H new ATOM 0 HB ILE B 13 5.452 -5.807 -2.522 1.00 1.20 H new ATOM 0 HG12 ILE B 13 5.701 -4.898 -0.396 1.00 1.46 H new ATOM 0 HG13 ILE B 13 6.559 -3.828 -1.487 1.00 1.46 H new ATOM 0 HG21 ILE B 13 6.112 -3.643 -3.702 1.00 1.05 H new ATOM 0 HG22 ILE B 13 4.773 -4.495 -4.506 1.00 1.05 H new ATOM 0 HG23 ILE B 13 4.440 -3.075 -3.487 1.00 1.05 H new ATOM 0 HD11 ILE B 13 5.429 -2.576 0.258 1.00 1.98 H new ATOM 0 HD12 ILE B 13 4.736 -2.186 -1.334 1.00 1.98 H new ATOM 0 HD13 ILE B 13 3.864 -3.272 -0.226 1.00 1.98 H new ATOM 1837 N GLU B 14 3.623 -7.528 -3.340 1.00 1.31 N ATOM 1838 CA GLU B 14 3.383 -8.482 -4.416 1.00 1.42 C ATOM 1839 C GLU B 14 1.896 -8.784 -4.544 1.00 1.38 C ATOM 1840 O GLU B 14 1.392 -8.937 -5.653 1.00 1.42 O ATOM 1841 CB GLU B 14 4.237 -9.752 -4.314 1.00 1.75 C ATOM 1842 CG GLU B 14 3.715 -10.847 -3.382 1.00 2.63 C ATOM 1843 CD GLU B 14 4.613 -12.078 -3.360 1.00 2.63 C ATOM 1844 OE1 GLU B 14 5.616 -12.090 -4.106 1.00 2.70 O ATOM 1845 OE2 GLU B 14 4.289 -13.012 -2.589 1.00 3.63 O ATOM 0 H GLU B 14 4.253 -7.869 -2.614 1.00 1.31 H new ATOM 0 HA GLU B 14 3.710 -8.005 -5.340 1.00 1.42 H new ATOM 0 HB2 GLU B 14 4.342 -10.175 -5.313 1.00 1.75 H new ATOM 0 HB3 GLU B 14 5.235 -9.467 -3.982 1.00 1.75 H new ATOM 0 HG2 GLU B 14 3.628 -10.447 -2.372 1.00 2.63 H new ATOM 0 HG3 GLU B 14 2.713 -11.139 -3.696 1.00 2.63 H new ATOM 1852 N THR B 15 1.191 -8.842 -3.413 1.00 1.34 N ATOM 1853 CA THR B 15 -0.245 -9.074 -3.384 1.00 1.36 C ATOM 1854 C THR B 15 -0.982 -8.005 -4.203 1.00 1.27 C ATOM 1855 O THR B 15 -1.923 -8.336 -4.926 1.00 1.40 O ATOM 1856 CB THR B 15 -0.757 -9.195 -1.941 1.00 1.39 C ATOM 1857 OG1 THR B 15 -0.049 -10.222 -1.277 1.00 1.49 O ATOM 1858 CG2 THR B 15 -2.240 -9.580 -1.899 1.00 1.49 C ATOM 0 H THR B 15 1.607 -8.728 -2.489 1.00 1.34 H new ATOM 0 HA THR B 15 -0.459 -10.031 -3.860 1.00 1.36 H new ATOM 0 HB THR B 15 -0.613 -8.225 -1.464 1.00 1.39 H new ATOM 0 HG1 THR B 15 0.795 -9.865 -0.929 1.00 1.49 H new ATOM 0 HG21 THR B 15 -2.567 -9.656 -0.862 1.00 1.49 H new ATOM 0 HG22 THR B 15 -2.828 -8.818 -2.410 1.00 1.49 H new ATOM 0 HG23 THR B 15 -2.381 -10.540 -2.395 1.00 1.49 H new ATOM 1866 N VAL B 16 -0.560 -6.735 -4.149 1.00 1.12 N ATOM 1867 CA VAL B 16 -1.200 -5.690 -4.932 1.00 1.06 C ATOM 1868 C VAL B 16 -1.049 -5.994 -6.422 1.00 1.18 C ATOM 1869 O VAL B 16 -2.037 -6.148 -7.139 1.00 1.20 O ATOM 1870 CB VAL B 16 -0.596 -4.317 -4.591 1.00 1.03 C ATOM 1871 CG1 VAL B 16 -1.136 -3.266 -5.554 1.00 1.02 C ATOM 1872 CG2 VAL B 16 -0.894 -3.910 -3.147 1.00 1.02 C ATOM 0 H VAL B 16 0.218 -6.415 -3.572 1.00 1.12 H new ATOM 0 HA VAL B 16 -2.262 -5.662 -4.687 1.00 1.06 H new ATOM 0 HB VAL B 16 0.487 -4.389 -4.695 1.00 1.03 H new ATOM 0 HG11 VAL B 16 -0.707 -2.294 -5.310 1.00 1.02 H new ATOM 0 HG12 VAL B 16 -0.867 -3.536 -6.575 1.00 1.02 H new ATOM 0 HG13 VAL B 16 -2.221 -3.215 -5.466 1.00 1.02 H new ATOM 0 HG21 VAL B 16 -0.451 -2.935 -2.945 1.00 1.02 H new ATOM 0 HG22 VAL B 16 -1.973 -3.856 -2.999 1.00 1.02 H new ATOM 0 HG23 VAL B 16 -0.471 -4.649 -2.466 1.00 1.02 H new ATOM 1882 N VAL B 17 0.197 -6.067 -6.893 1.00 1.29 N ATOM 1883 CA VAL B 17 0.500 -6.271 -8.305 1.00 1.42 C ATOM 1884 C VAL B 17 -0.144 -7.579 -8.803 1.00 1.43 C ATOM 1885 O VAL B 17 -0.809 -7.595 -9.839 1.00 1.59 O ATOM 1886 CB VAL B 17 2.015 -6.127 -8.565 1.00 1.43 C ATOM 1887 CG1 VAL B 17 2.488 -4.678 -8.374 1.00 1.57 C ATOM 1888 CG2 VAL B 17 2.873 -7.004 -7.656 1.00 1.35 C ATOM 0 H VAL B 17 1.024 -5.986 -6.302 1.00 1.29 H new ATOM 0 HA VAL B 17 0.047 -5.487 -8.912 1.00 1.42 H new ATOM 0 HB VAL B 17 2.145 -6.448 -9.599 1.00 1.43 H new ATOM 0 HG11 VAL B 17 3.559 -4.617 -8.566 1.00 1.57 H new ATOM 0 HG12 VAL B 17 1.957 -4.027 -9.069 1.00 1.57 H new ATOM 0 HG13 VAL B 17 2.284 -4.360 -7.352 1.00 1.57 H new ATOM 0 HG21 VAL B 17 3.926 -6.853 -7.893 1.00 1.35 H new ATOM 0 HG22 VAL B 17 2.693 -6.735 -6.615 1.00 1.35 H new ATOM 0 HG23 VAL B 17 2.613 -8.051 -7.810 1.00 1.35 H new ATOM 1898 N THR B 18 -0.046 -8.645 -8.004 1.00 1.34 N ATOM 1899 CA THR B 18 -0.763 -9.897 -8.193 1.00 1.40 C ATOM 1900 C THR B 18 -2.240 -9.639 -8.435 1.00 1.36 C ATOM 1901 O THR B 18 -2.818 -10.162 -9.384 1.00 1.43 O ATOM 1902 CB THR B 18 -0.598 -10.773 -6.945 1.00 1.60 C ATOM 1903 OG1 THR B 18 0.719 -11.274 -6.901 1.00 1.65 O ATOM 1904 CG2 THR B 18 -1.630 -11.898 -6.858 1.00 1.94 C ATOM 0 H THR B 18 0.557 -8.655 -7.181 1.00 1.34 H new ATOM 0 HA THR B 18 -0.350 -10.407 -9.064 1.00 1.40 H new ATOM 0 HB THR B 18 -0.781 -10.147 -6.071 1.00 1.60 H new ATOM 0 HG1 THR B 18 1.304 -10.618 -6.468 1.00 1.65 H new ATOM 0 HG21 THR B 18 -1.458 -12.480 -5.953 1.00 1.94 H new ATOM 0 HG22 THR B 18 -2.632 -11.471 -6.830 1.00 1.94 H new ATOM 0 HG23 THR B 18 -1.536 -12.546 -7.729 1.00 1.94 H new ATOM 1912 N THR B 19 -2.873 -8.892 -7.535 1.00 1.29 N ATOM 1913 CA THR B 19 -4.308 -8.729 -7.575 1.00 1.31 C ATOM 1914 C THR B 19 -4.706 -7.890 -8.792 1.00 1.22 C ATOM 1915 O THR B 19 -5.688 -8.210 -9.455 1.00 1.28 O ATOM 1916 CB THR B 19 -4.791 -8.198 -6.226 1.00 1.38 C ATOM 1917 OG1 THR B 19 -4.508 -9.160 -5.233 1.00 1.46 O ATOM 1918 CG2 THR B 19 -6.295 -7.921 -6.211 1.00 1.48 C ATOM 0 H THR B 19 -2.410 -8.395 -6.775 1.00 1.29 H new ATOM 0 HA THR B 19 -4.816 -9.683 -7.716 1.00 1.31 H new ATOM 0 HB THR B 19 -4.273 -7.257 -6.038 1.00 1.38 H new ATOM 0 HG1 THR B 19 -3.577 -9.065 -4.941 1.00 1.46 H new ATOM 0 HG21 THR B 19 -6.586 -7.546 -5.230 1.00 1.48 H new ATOM 0 HG22 THR B 19 -6.535 -7.177 -6.970 1.00 1.48 H new ATOM 0 HG23 THR B 19 -6.837 -8.843 -6.422 1.00 1.48 H new ATOM 1926 N PHE B 20 -3.914 -6.873 -9.153 1.00 1.12 N ATOM 1927 CA PHE B 20 -4.084 -6.203 -10.436 1.00 1.05 C ATOM 1928 C PHE B 20 -4.068 -7.191 -11.601 1.00 1.07 C ATOM 1929 O PHE B 20 -4.904 -7.084 -12.497 1.00 1.22 O ATOM 1930 CB PHE B 20 -3.013 -5.132 -10.648 1.00 1.00 C ATOM 1931 CG PHE B 20 -3.277 -3.848 -9.901 1.00 1.09 C ATOM 1932 CD1 PHE B 20 -4.363 -3.047 -10.288 1.00 2.06 C ATOM 1933 CD2 PHE B 20 -2.382 -3.385 -8.922 1.00 1.59 C ATOM 1934 CE1 PHE B 20 -4.464 -1.731 -9.815 1.00 2.26 C ATOM 1935 CE2 PHE B 20 -2.480 -2.065 -8.455 1.00 1.59 C ATOM 1936 CZ PHE B 20 -3.451 -1.214 -8.997 1.00 1.44 C ATOM 0 H PHE B 20 -3.158 -6.503 -8.577 1.00 1.12 H new ATOM 0 HA PHE B 20 -5.062 -5.723 -10.411 1.00 1.05 H new ATOM 0 HB2 PHE B 20 -2.048 -5.531 -10.336 1.00 1.00 H new ATOM 0 HB3 PHE B 20 -2.938 -4.913 -11.713 1.00 1.00 H new ATOM 0 HD1 PHE B 20 -5.119 -3.444 -10.949 1.00 2.06 H new ATOM 0 HD2 PHE B 20 -1.621 -4.043 -8.530 1.00 1.59 H new ATOM 0 HE1 PHE B 20 -5.315 -1.121 -10.079 1.00 2.26 H new ATOM 0 HE2 PHE B 20 -1.812 -1.709 -7.684 1.00 1.59 H new ATOM 0 HZ PHE B 20 -3.419 -0.156 -8.784 1.00 1.44 H new ATOM 1946 N PHE B 21 -3.124 -8.139 -11.617 1.00 1.02 N ATOM 1947 CA PHE B 21 -3.150 -9.185 -12.635 1.00 1.16 C ATOM 1948 C PHE B 21 -4.472 -9.949 -12.529 1.00 1.25 C ATOM 1949 O PHE B 21 -5.200 -10.097 -13.508 1.00 1.46 O ATOM 1950 CB PHE B 21 -1.959 -10.148 -12.500 1.00 1.25 C ATOM 1951 CG PHE B 21 -0.575 -9.529 -12.372 1.00 2.23 C ATOM 1952 CD1 PHE B 21 -0.293 -8.244 -12.876 1.00 3.67 C ATOM 1953 CD2 PHE B 21 0.425 -10.233 -11.674 1.00 3.39 C ATOM 1954 CE1 PHE B 21 0.953 -7.643 -12.622 1.00 5.33 C ATOM 1955 CE2 PHE B 21 1.667 -9.629 -11.413 1.00 5.23 C ATOM 1956 CZ PHE B 21 1.932 -8.336 -11.891 1.00 5.97 C ATOM 0 H PHE B 21 -2.352 -8.201 -10.953 1.00 1.02 H new ATOM 0 HA PHE B 21 -3.068 -8.716 -13.615 1.00 1.16 H new ATOM 0 HB2 PHE B 21 -2.130 -10.776 -11.626 1.00 1.25 H new ATOM 0 HB3 PHE B 21 -1.956 -10.805 -13.369 1.00 1.25 H new ATOM 0 HD1 PHE B 21 -1.035 -7.719 -13.459 1.00 3.67 H new ATOM 0 HD2 PHE B 21 0.237 -11.242 -11.338 1.00 3.39 H new ATOM 0 HE1 PHE B 21 1.157 -6.648 -12.989 1.00 5.33 H new ATOM 0 HE2 PHE B 21 2.417 -10.159 -10.845 1.00 5.23 H new ATOM 0 HZ PHE B 21 2.889 -7.874 -11.697 1.00 5.97 H new ATOM 1966 N THR B 22 -4.793 -10.410 -11.322 1.00 1.25 N ATOM 1967 CA THR B 22 -5.915 -11.292 -11.043 1.00 1.47 C ATOM 1968 C THR B 22 -7.189 -10.455 -10.892 1.00 1.56 C ATOM 1969 O THR B 22 -7.872 -10.506 -9.873 1.00 1.88 O ATOM 1970 CB THR B 22 -5.590 -12.117 -9.784 1.00 1.78 C ATOM 1971 OG1 THR B 22 -4.237 -12.536 -9.817 1.00 2.47 O ATOM 1972 CG2 THR B 22 -6.469 -13.365 -9.679 1.00 2.42 C ATOM 0 H THR B 22 -4.259 -10.170 -10.487 1.00 1.25 H new ATOM 0 HA THR B 22 -6.086 -11.990 -11.862 1.00 1.47 H new ATOM 0 HB THR B 22 -5.779 -11.475 -8.923 1.00 1.78 H new ATOM 0 HG1 THR B 22 -3.659 -11.797 -9.534 1.00 2.47 H new ATOM 0 HG21 THR B 22 -6.208 -13.919 -8.777 1.00 2.42 H new ATOM 0 HG22 THR B 22 -7.517 -13.069 -9.632 1.00 2.42 H new ATOM 0 HG23 THR B 22 -6.309 -13.997 -10.552 1.00 2.42 H new ATOM 2097 N LYS B 30 -2.264 -4.831 -18.513 1.00 1.96 N ATOM 2098 CA LYS B 30 -1.844 -3.489 -18.882 1.00 1.88 C ATOM 2099 C LYS B 30 -1.011 -2.892 -17.759 1.00 1.83 C ATOM 2100 O LYS B 30 0.192 -2.722 -17.930 1.00 2.54 O ATOM 2101 CB LYS B 30 -3.093 -2.652 -19.199 1.00 2.07 C ATOM 2102 CG LYS B 30 -3.712 -3.058 -20.548 1.00 2.88 C ATOM 2103 CD LYS B 30 -5.231 -2.823 -20.598 1.00 3.53 C ATOM 2104 CE LYS B 30 -6.065 -3.859 -19.818 1.00 4.75 C ATOM 2105 NZ LYS B 30 -6.024 -5.215 -20.416 1.00 6.52 N ATOM 0 HA LYS B 30 -1.216 -3.505 -19.773 1.00 1.88 H new ATOM 0 HB2 LYS B 30 -3.830 -2.780 -18.406 1.00 2.07 H new ATOM 0 HB3 LYS B 30 -2.829 -1.595 -19.222 1.00 2.07 H new ATOM 0 HG2 LYS B 30 -3.234 -2.492 -21.348 1.00 2.88 H new ATOM 0 HG3 LYS B 30 -3.505 -4.112 -20.736 1.00 2.88 H new ATOM 0 HD2 LYS B 30 -5.445 -1.830 -20.202 1.00 3.53 H new ATOM 0 HD3 LYS B 30 -5.552 -2.827 -21.640 1.00 3.53 H new ATOM 0 HE2 LYS B 30 -5.700 -3.911 -18.792 1.00 4.75 H new ATOM 0 HE3 LYS B 30 -7.100 -3.521 -19.772 1.00 4.75 H new ATOM 0 HZ1 LYS B 30 -6.657 -5.848 -19.886 1.00 6.52 H new ATOM 0 HZ2 LYS B 30 -6.334 -5.167 -21.408 1.00 6.52 H new ATOM 0 HZ3 LYS B 30 -5.052 -5.583 -20.375 1.00 6.52 H new ATOM 2119 N ASP B 31 -1.647 -2.694 -16.603 1.00 1.56 N ATOM 2120 CA ASP B 31 -1.026 -2.362 -15.328 1.00 1.58 C ATOM 2121 C ASP B 31 -2.120 -2.293 -14.258 1.00 1.42 C ATOM 2122 O ASP B 31 -1.991 -2.887 -13.189 1.00 1.43 O ATOM 2123 CB ASP B 31 -0.247 -1.028 -15.370 1.00 1.73 C ATOM 2124 CG ASP B 31 1.216 -1.138 -15.797 1.00 2.49 C ATOM 2125 OD1 ASP B 31 1.833 -2.198 -15.551 1.00 3.94 O ATOM 2126 OD2 ASP B 31 1.718 -0.138 -16.355 1.00 2.56 O ATOM 0 H ASP B 31 -2.662 -2.766 -16.532 1.00 1.56 H new ATOM 0 HA ASP B 31 -0.299 -3.140 -15.095 1.00 1.58 H new ATOM 0 HB2 ASP B 31 -0.758 -0.350 -16.054 1.00 1.73 H new ATOM 0 HB3 ASP B 31 -0.286 -0.572 -14.381 1.00 1.73 H new ATOM 2131 N SER B 32 -3.197 -1.556 -14.540 1.00 1.53 N ATOM 2132 CA SER B 32 -4.273 -1.286 -13.596 1.00 1.31 C ATOM 2133 C SER B 32 -5.573 -0.977 -14.357 1.00 1.22 C ATOM 2134 O SER B 32 -5.616 -1.147 -15.576 1.00 1.28 O ATOM 2135 CB SER B 32 -3.836 -0.129 -12.692 1.00 1.41 C ATOM 2136 OG SER B 32 -2.594 -0.393 -12.061 1.00 2.85 O ATOM 0 H SER B 32 -3.344 -1.123 -15.452 1.00 1.53 H new ATOM 0 HA SER B 32 -4.475 -2.156 -12.972 1.00 1.31 H new ATOM 0 HB2 SER B 32 -3.757 0.784 -13.283 1.00 1.41 H new ATOM 0 HB3 SER B 32 -4.599 0.048 -11.933 1.00 1.41 H new ATOM 0 HG SER B 32 -2.753 -0.741 -11.159 1.00 2.85 H new ATOM 2142 N LEU B 33 -6.626 -0.574 -13.633 1.00 1.18 N ATOM 2143 CA LEU B 33 -7.987 -0.398 -14.138 1.00 1.14 C ATOM 2144 C LEU B 33 -8.224 1.083 -14.476 1.00 1.06 C ATOM 2145 O LEU B 33 -7.262 1.815 -14.709 1.00 1.23 O ATOM 2146 CB LEU B 33 -8.988 -0.889 -13.071 1.00 1.17 C ATOM 2147 CG LEU B 33 -8.804 -2.319 -12.530 1.00 1.31 C ATOM 2148 CD1 LEU B 33 -8.373 -3.322 -13.606 1.00 2.07 C ATOM 2149 CD2 LEU B 33 -7.859 -2.360 -11.328 1.00 1.14 C ATOM 0 H LEU B 33 -6.546 -0.354 -12.640 1.00 1.18 H new ATOM 0 HA LEU B 33 -8.129 -0.982 -15.047 1.00 1.14 H new ATOM 0 HB2 LEU B 33 -8.944 -0.201 -12.226 1.00 1.17 H new ATOM 0 HB3 LEU B 33 -9.991 -0.814 -13.491 1.00 1.17 H new ATOM 0 HG LEU B 33 -9.791 -2.632 -12.191 1.00 1.31 H new ATOM 0 HD11 LEU B 33 -8.261 -4.310 -13.159 1.00 2.07 H new ATOM 0 HD12 LEU B 33 -9.129 -3.362 -14.390 1.00 2.07 H new ATOM 0 HD13 LEU B 33 -7.422 -3.008 -14.036 1.00 2.07 H new ATOM 0 HD21 LEU B 33 -7.758 -3.388 -10.979 1.00 1.14 H new ATOM 0 HD22 LEU B 33 -6.881 -1.979 -11.621 1.00 1.14 H new ATOM 0 HD23 LEU B 33 -8.263 -1.743 -10.526 1.00 1.14 H new ATOM 2161 N SER B 34 -9.477 1.548 -14.458 1.00 0.93 N ATOM 2162 CA SER B 34 -9.811 2.971 -14.476 1.00 0.87 C ATOM 2163 C SER B 34 -9.904 3.476 -13.029 1.00 0.87 C ATOM 2164 O SER B 34 -10.156 2.685 -12.118 1.00 0.89 O ATOM 2165 CB SER B 34 -11.122 3.194 -15.245 1.00 0.91 C ATOM 2166 OG SER B 34 -11.268 2.242 -16.281 1.00 1.88 O ATOM 0 H SER B 34 -10.295 0.939 -14.430 1.00 0.93 H new ATOM 0 HA SER B 34 -9.034 3.537 -14.991 1.00 0.87 H new ATOM 0 HB2 SER B 34 -11.967 3.124 -14.560 1.00 0.91 H new ATOM 0 HB3 SER B 34 -11.135 4.200 -15.665 1.00 0.91 H new ATOM 0 HG SER B 34 -11.574 1.391 -15.903 1.00 1.88 H new ATOM 2172 N VAL B 35 -9.690 4.772 -12.774 1.00 0.93 N ATOM 2173 CA VAL B 35 -9.617 5.247 -11.393 1.00 1.02 C ATOM 2174 C VAL B 35 -11.005 5.191 -10.731 1.00 0.91 C ATOM 2175 O VAL B 35 -11.187 4.607 -9.665 1.00 0.93 O ATOM 2176 CB VAL B 35 -9.054 6.672 -11.364 1.00 1.20 C ATOM 2177 CG1 VAL B 35 -8.698 7.097 -9.941 1.00 1.44 C ATOM 2178 CG2 VAL B 35 -7.817 6.879 -12.245 1.00 1.24 C ATOM 0 H VAL B 35 -9.568 5.492 -13.486 1.00 0.93 H new ATOM 0 HA VAL B 35 -8.949 4.597 -10.827 1.00 1.02 H new ATOM 0 HB VAL B 35 -9.857 7.289 -11.768 1.00 1.20 H new ATOM 0 HG11 VAL B 35 -8.301 8.112 -9.953 1.00 1.44 H new ATOM 0 HG12 VAL B 35 -9.591 7.064 -9.317 1.00 1.44 H new ATOM 0 HG13 VAL B 35 -7.947 6.419 -9.536 1.00 1.44 H new ATOM 0 HG21 VAL B 35 -7.483 7.914 -12.166 1.00 1.24 H new ATOM 0 HG22 VAL B 35 -7.019 6.214 -11.914 1.00 1.24 H new ATOM 0 HG23 VAL B 35 -8.068 6.656 -13.282 1.00 1.24 H new ATOM 2188 N ASN B 36 -11.990 5.822 -11.372 1.00 0.91 N ATOM 2189 CA ASN B 36 -13.403 5.795 -10.987 1.00 0.95 C ATOM 2190 C ASN B 36 -13.881 4.359 -10.705 1.00 0.91 C ATOM 2191 O ASN B 36 -14.502 4.101 -9.670 1.00 0.94 O ATOM 2192 CB ASN B 36 -14.297 6.420 -12.081 1.00 1.23 C ATOM 2193 CG ASN B 36 -13.827 6.147 -13.517 1.00 3.37 C ATOM 2194 OD1 ASN B 36 -13.305 5.078 -13.816 1.00 4.85 O ATOM 2195 ND2 ASN B 36 -13.945 7.126 -14.409 1.00 3.95 N ATOM 0 H ASN B 36 -11.820 6.387 -12.204 1.00 0.91 H new ATOM 0 HA ASN B 36 -13.490 6.385 -10.075 1.00 0.95 H new ATOM 0 HB2 ASN B 36 -15.312 6.039 -11.965 1.00 1.23 H new ATOM 0 HB3 ASN B 36 -14.341 7.498 -11.925 1.00 1.23 H new ATOM 0 HD21 ASN B 36 -13.599 6.995 -15.359 1.00 3.95 H new ATOM 0 HD22 ASN B 36 -14.382 8.008 -14.143 1.00 3.95 H new ATOM 2202 N GLU B 37 -13.606 3.448 -11.639 1.00 0.93 N ATOM 2203 CA GLU B 37 -13.885 2.020 -11.556 1.00 0.94 C ATOM 2204 C GLU B 37 -13.277 1.463 -10.268 1.00 0.88 C ATOM 2205 O GLU B 37 -13.986 0.967 -9.391 1.00 0.92 O ATOM 2206 CB GLU B 37 -13.282 1.381 -12.817 1.00 1.02 C ATOM 2207 CG GLU B 37 -13.338 -0.146 -12.918 1.00 1.37 C ATOM 2208 CD GLU B 37 -12.573 -0.648 -14.142 1.00 2.29 C ATOM 2209 OE1 GLU B 37 -11.815 0.165 -14.726 1.00 2.90 O ATOM 2210 OE2 GLU B 37 -12.726 -1.848 -14.448 1.00 3.21 O ATOM 0 H GLU B 37 -13.159 3.703 -12.519 1.00 0.93 H new ATOM 0 HA GLU B 37 -14.952 1.803 -11.518 1.00 0.94 H new ATOM 0 HB2 GLU B 37 -13.794 1.797 -13.685 1.00 1.02 H new ATOM 0 HB3 GLU B 37 -12.238 1.687 -12.886 1.00 1.02 H new ATOM 0 HG2 GLU B 37 -12.916 -0.588 -12.016 1.00 1.37 H new ATOM 0 HG3 GLU B 37 -14.377 -0.471 -12.977 1.00 1.37 H new ATOM 2217 N PHE B 38 -11.953 1.589 -10.136 1.00 0.86 N ATOM 2218 CA PHE B 38 -11.232 1.213 -8.930 1.00 0.82 C ATOM 2219 C PHE B 38 -11.935 1.714 -7.662 1.00 0.73 C ATOM 2220 O PHE B 38 -12.182 0.906 -6.770 1.00 0.74 O ATOM 2221 CB PHE B 38 -9.780 1.691 -9.025 1.00 0.89 C ATOM 2222 CG PHE B 38 -9.141 2.027 -7.695 1.00 0.81 C ATOM 2223 CD1 PHE B 38 -8.841 1.001 -6.783 1.00 1.88 C ATOM 2224 CD2 PHE B 38 -9.106 3.369 -7.274 1.00 1.61 C ATOM 2225 CE1 PHE B 38 -8.443 1.320 -5.474 1.00 1.92 C ATOM 2226 CE2 PHE B 38 -8.825 3.676 -5.936 1.00 1.95 C ATOM 2227 CZ PHE B 38 -8.431 2.661 -5.050 1.00 1.42 C ATOM 0 H PHE B 38 -11.352 1.959 -10.873 1.00 0.86 H new ATOM 0 HA PHE B 38 -11.225 0.126 -8.852 1.00 0.82 H new ATOM 0 HB2 PHE B 38 -9.187 0.917 -9.513 1.00 0.89 H new ATOM 0 HB3 PHE B 38 -9.742 2.573 -9.665 1.00 0.89 H new ATOM 0 HD1 PHE B 38 -8.916 -0.032 -7.088 1.00 1.88 H new ATOM 0 HD2 PHE B 38 -9.296 4.162 -7.982 1.00 1.61 H new ATOM 0 HE1 PHE B 38 -8.146 0.536 -4.793 1.00 1.92 H new ATOM 0 HE2 PHE B 38 -8.912 4.694 -5.586 1.00 1.95 H new ATOM 0 HZ PHE B 38 -8.120 2.909 -4.046 1.00 1.42 H new ATOM 2237 N LYS B 39 -12.267 3.011 -7.582 1.00 0.74 N ATOM 2238 CA LYS B 39 -12.980 3.598 -6.447 1.00 0.73 C ATOM 2239 C LYS B 39 -14.193 2.724 -6.083 1.00 0.79 C ATOM 2240 O LYS B 39 -14.367 2.349 -4.921 1.00 0.84 O ATOM 2241 CB LYS B 39 -13.357 5.066 -6.761 1.00 0.91 C ATOM 2242 CG LYS B 39 -14.315 5.738 -5.763 1.00 0.93 C ATOM 2243 CD LYS B 39 -15.183 6.836 -6.414 1.00 1.81 C ATOM 2244 CE LYS B 39 -16.428 6.326 -7.162 1.00 2.99 C ATOM 2245 NZ LYS B 39 -16.160 5.909 -8.558 1.00 4.48 N ATOM 0 H LYS B 39 -12.044 3.686 -8.314 1.00 0.74 H new ATOM 0 HA LYS B 39 -12.335 3.623 -5.569 1.00 0.73 H new ATOM 0 HB2 LYS B 39 -12.441 5.655 -6.809 1.00 0.91 H new ATOM 0 HB3 LYS B 39 -13.811 5.101 -7.751 1.00 0.91 H new ATOM 0 HG2 LYS B 39 -14.964 4.981 -5.324 1.00 0.93 H new ATOM 0 HG3 LYS B 39 -13.737 6.174 -4.948 1.00 0.93 H new ATOM 0 HD2 LYS B 39 -15.504 7.531 -5.638 1.00 1.81 H new ATOM 0 HD3 LYS B 39 -14.565 7.400 -7.112 1.00 1.81 H new ATOM 0 HE2 LYS B 39 -16.848 5.482 -6.615 1.00 2.99 H new ATOM 0 HE3 LYS B 39 -17.184 7.111 -7.166 1.00 2.99 H new ATOM 0 HZ1 LYS B 39 -17.059 5.822 -9.073 1.00 4.48 H new ATOM 0 HZ2 LYS B 39 -15.561 6.620 -9.024 1.00 4.48 H new ATOM 0 HZ3 LYS B 39 -15.671 4.991 -8.558 1.00 4.48 H new ATOM 2259 N GLU B 40 -15.027 2.401 -7.077 1.00 0.84 N ATOM 2260 CA GLU B 40 -16.214 1.576 -6.881 1.00 0.95 C ATOM 2261 C GLU B 40 -15.850 0.164 -6.416 1.00 0.90 C ATOM 2262 O GLU B 40 -16.479 -0.359 -5.499 1.00 1.07 O ATOM 2263 CB GLU B 40 -17.064 1.579 -8.158 1.00 1.08 C ATOM 2264 CG GLU B 40 -17.779 2.932 -8.269 1.00 1.16 C ATOM 2265 CD GLU B 40 -18.056 3.344 -9.706 1.00 1.86 C ATOM 2266 OE1 GLU B 40 -18.478 2.472 -10.489 1.00 2.35 O ATOM 2267 OE2 GLU B 40 -17.823 4.544 -9.977 1.00 2.93 O ATOM 0 H GLU B 40 -14.894 2.707 -8.041 1.00 0.84 H new ATOM 0 HA GLU B 40 -16.815 2.005 -6.080 1.00 0.95 H new ATOM 0 HB2 GLU B 40 -16.434 1.412 -9.032 1.00 1.08 H new ATOM 0 HB3 GLU B 40 -17.792 0.768 -8.130 1.00 1.08 H new ATOM 0 HG2 GLU B 40 -18.721 2.884 -7.723 1.00 1.16 H new ATOM 0 HG3 GLU B 40 -17.171 3.698 -7.788 1.00 1.16 H new ATOM 2274 N LEU B 41 -14.835 -0.458 -7.015 1.00 0.80 N ATOM 2275 CA LEU B 41 -14.394 -1.776 -6.568 1.00 0.88 C ATOM 2276 C LEU B 41 -13.948 -1.731 -5.101 1.00 0.88 C ATOM 2277 O LEU B 41 -14.497 -2.436 -4.253 1.00 1.10 O ATOM 2278 CB LEU B 41 -13.276 -2.319 -7.474 1.00 1.01 C ATOM 2279 CG LEU B 41 -13.817 -3.163 -8.640 1.00 1.26 C ATOM 2280 CD1 LEU B 41 -14.642 -2.337 -9.633 1.00 2.38 C ATOM 2281 CD2 LEU B 41 -12.647 -3.819 -9.381 1.00 2.24 C ATOM 0 H LEU B 41 -14.309 -0.075 -7.801 1.00 0.80 H new ATOM 0 HA LEU B 41 -15.239 -2.460 -6.640 1.00 0.88 H new ATOM 0 HB2 LEU B 41 -12.698 -1.485 -7.872 1.00 1.01 H new ATOM 0 HB3 LEU B 41 -12.593 -2.924 -6.878 1.00 1.01 H new ATOM 0 HG LEU B 41 -14.477 -3.918 -8.213 1.00 1.26 H new ATOM 0 HD11 LEU B 41 -14.999 -2.983 -10.435 1.00 2.38 H new ATOM 0 HD12 LEU B 41 -15.494 -1.894 -9.118 1.00 2.38 H new ATOM 0 HD13 LEU B 41 -14.021 -1.546 -10.053 1.00 2.38 H new ATOM 0 HD21 LEU B 41 -13.030 -4.418 -10.208 1.00 2.24 H new ATOM 0 HD22 LEU B 41 -11.983 -3.047 -9.769 1.00 2.24 H new ATOM 0 HD23 LEU B 41 -12.095 -4.460 -8.694 1.00 2.24 H new ATOM 2293 N VAL B 42 -12.938 -0.919 -4.782 1.00 0.71 N ATOM 2294 CA VAL B 42 -12.332 -0.951 -3.459 1.00 0.68 C ATOM 2295 C VAL B 42 -13.378 -0.690 -2.364 1.00 0.79 C ATOM 2296 O VAL B 42 -13.383 -1.387 -1.351 1.00 0.92 O ATOM 2297 CB VAL B 42 -11.082 -0.058 -3.376 1.00 0.63 C ATOM 2298 CG1 VAL B 42 -11.438 1.425 -3.495 1.00 2.07 C ATOM 2299 CG2 VAL B 42 -10.302 -0.339 -2.088 1.00 2.26 C ATOM 0 H VAL B 42 -12.528 -0.237 -5.420 1.00 0.71 H new ATOM 0 HA VAL B 42 -11.961 -1.959 -3.273 1.00 0.68 H new ATOM 0 HB VAL B 42 -10.442 -0.304 -4.223 1.00 0.63 H new ATOM 0 HG11 VAL B 42 -10.529 2.024 -3.432 1.00 2.07 H new ATOM 0 HG12 VAL B 42 -11.926 1.606 -4.453 1.00 2.07 H new ATOM 0 HG13 VAL B 42 -12.113 1.703 -2.685 1.00 2.07 H new ATOM 0 HG21 VAL B 42 -9.422 0.303 -2.048 1.00 2.26 H new ATOM 0 HG22 VAL B 42 -10.938 -0.136 -1.226 1.00 2.26 H new ATOM 0 HG23 VAL B 42 -9.991 -1.383 -2.072 1.00 2.26 H new ATOM 2309 N THR B 43 -14.304 0.260 -2.562 1.00 0.87 N ATOM 2310 CA THR B 43 -15.307 0.520 -1.530 1.00 1.10 C ATOM 2311 C THR B 43 -16.230 -0.681 -1.286 1.00 1.29 C ATOM 2312 O THR B 43 -16.831 -0.753 -0.217 1.00 1.70 O ATOM 2313 CB THR B 43 -16.097 1.814 -1.785 1.00 1.30 C ATOM 2314 OG1 THR B 43 -16.842 2.147 -0.631 1.00 1.58 O ATOM 2315 CG2 THR B 43 -17.064 1.717 -2.964 1.00 1.54 C ATOM 0 H THR B 43 -14.377 0.840 -3.398 1.00 0.87 H new ATOM 0 HA THR B 43 -14.750 0.674 -0.606 1.00 1.10 H new ATOM 0 HB THR B 43 -15.359 2.579 -2.026 1.00 1.30 H new ATOM 0 HG1 THR B 43 -17.112 1.327 -0.168 1.00 1.58 H new ATOM 0 HG21 THR B 43 -17.587 2.666 -3.085 1.00 1.54 H new ATOM 0 HG22 THR B 43 -16.507 1.491 -3.873 1.00 1.54 H new ATOM 0 HG23 THR B 43 -17.789 0.925 -2.776 1.00 1.54 H new ATOM 2323 N GLN B 44 -16.364 -1.607 -2.246 1.00 1.21 N ATOM 2324 CA GLN B 44 -17.048 -2.872 -2.006 1.00 1.45 C ATOM 2325 C GLN B 44 -16.095 -3.819 -1.276 1.00 1.44 C ATOM 2326 O GLN B 44 -16.472 -4.439 -0.285 1.00 1.64 O ATOM 2327 CB GLN B 44 -17.531 -3.490 -3.328 1.00 1.57 C ATOM 2328 CG GLN B 44 -18.567 -2.619 -4.054 1.00 1.99 C ATOM 2329 CD GLN B 44 -19.920 -2.554 -3.350 1.00 3.95 C ATOM 2330 OE1 GLN B 44 -20.202 -3.310 -2.425 1.00 5.23 O ATOM 2331 NE2 GLN B 44 -20.787 -1.648 -3.791 1.00 4.89 N ATOM 0 H GLN B 44 -16.005 -1.497 -3.194 1.00 1.21 H new ATOM 0 HA GLN B 44 -17.928 -2.698 -1.387 1.00 1.45 H new ATOM 0 HB2 GLN B 44 -16.674 -3.648 -3.983 1.00 1.57 H new ATOM 0 HB3 GLN B 44 -17.964 -4.470 -3.128 1.00 1.57 H new ATOM 0 HG2 GLN B 44 -18.171 -1.608 -4.155 1.00 1.99 H new ATOM 0 HG3 GLN B 44 -18.711 -3.007 -5.062 1.00 1.99 H new ATOM 0 HE21 GLN B 44 -20.531 -1.030 -4.561 1.00 4.89 H new ATOM 0 HE22 GLN B 44 -21.708 -1.571 -3.359 1.00 4.89 H new ATOM 2340 N GLN B 45 -14.854 -3.918 -1.763 1.00 1.25 N ATOM 2341 CA GLN B 45 -13.870 -4.864 -1.242 1.00 1.19 C ATOM 2342 C GLN B 45 -13.490 -4.575 0.210 1.00 1.12 C ATOM 2343 O GLN B 45 -13.016 -5.487 0.887 1.00 1.14 O ATOM 2344 CB GLN B 45 -12.605 -4.869 -2.104 1.00 1.12 C ATOM 2345 CG GLN B 45 -12.692 -5.563 -3.482 1.00 1.11 C ATOM 2346 CD GLN B 45 -14.044 -5.580 -4.203 1.00 1.68 C ATOM 2347 OE1 GLN B 45 -15.055 -6.022 -3.671 1.00 3.34 O ATOM 2348 NE2 GLN B 45 -14.068 -5.160 -5.466 1.00 1.70 N ATOM 0 H GLN B 45 -14.506 -3.343 -2.530 1.00 1.25 H new ATOM 0 HA GLN B 45 -14.343 -5.845 -1.278 1.00 1.19 H new ATOM 0 HB2 GLN B 45 -12.302 -3.834 -2.265 1.00 1.12 H new ATOM 0 HB3 GLN B 45 -11.810 -5.349 -1.534 1.00 1.12 H new ATOM 0 HG2 GLN B 45 -11.969 -5.083 -4.142 1.00 1.11 H new ATOM 0 HG3 GLN B 45 -12.370 -6.597 -3.355 1.00 1.11 H new ATOM 0 HE21 GLN B 45 -13.220 -4.794 -5.898 1.00 1.70 H new ATOM 0 HE22 GLN B 45 -14.935 -5.204 -6.002 1.00 1.70 H new ATOM 2357 N LEU B 46 -13.690 -3.340 0.681 1.00 1.08 N ATOM 2358 CA LEU B 46 -13.595 -2.960 2.090 1.00 1.11 C ATOM 2359 C LEU B 46 -15.009 -2.901 2.697 1.00 1.09 C ATOM 2360 O LEU B 46 -15.498 -1.810 2.984 1.00 1.09 O ATOM 2361 CB LEU B 46 -12.909 -1.584 2.198 1.00 1.14 C ATOM 2362 CG LEU B 46 -11.377 -1.610 2.092 1.00 1.31 C ATOM 2363 CD1 LEU B 46 -10.859 -2.338 0.853 1.00 1.10 C ATOM 2364 CD2 LEU B 46 -10.850 -0.176 2.082 1.00 2.09 C ATOM 0 H LEU B 46 -13.929 -2.556 0.073 1.00 1.08 H new ATOM 0 HA LEU B 46 -13.005 -3.696 2.637 1.00 1.11 H new ATOM 0 HB2 LEU B 46 -13.301 -0.937 1.413 1.00 1.14 H new ATOM 0 HB3 LEU B 46 -13.184 -1.132 3.151 1.00 1.14 H new ATOM 0 HG LEU B 46 -11.014 -2.164 2.958 1.00 1.31 H new ATOM 0 HD11 LEU B 46 -9.769 -2.315 0.847 1.00 1.10 H new ATOM 0 HD12 LEU B 46 -11.200 -3.373 0.870 1.00 1.10 H new ATOM 0 HD13 LEU B 46 -11.237 -1.846 -0.043 1.00 1.10 H new ATOM 0 HD21 LEU B 46 -9.763 -0.188 2.007 1.00 2.09 H new ATOM 0 HD22 LEU B 46 -11.267 0.359 1.228 1.00 2.09 H new ATOM 0 HD23 LEU B 46 -11.144 0.326 3.004 1.00 2.09 H new ATOM 2376 N PRO B 47 -15.689 -4.035 2.944 1.00 1.12 N ATOM 2377 CA PRO B 47 -17.067 -4.039 3.416 1.00 1.09 C ATOM 2378 C PRO B 47 -17.195 -3.678 4.902 1.00 1.18 C ATOM 2379 O PRO B 47 -18.317 -3.492 5.375 1.00 1.48 O ATOM 2380 CB PRO B 47 -17.558 -5.467 3.165 1.00 1.16 C ATOM 2381 CG PRO B 47 -16.292 -6.295 3.353 1.00 1.26 C ATOM 2382 CD PRO B 47 -15.243 -5.399 2.718 1.00 1.19 C ATOM 0 HA PRO B 47 -17.656 -3.284 2.894 1.00 1.09 H new ATOM 0 HB2 PRO B 47 -18.339 -5.756 3.868 1.00 1.16 H new ATOM 0 HB3 PRO B 47 -17.972 -5.583 2.163 1.00 1.16 H new ATOM 0 HG2 PRO B 47 -16.082 -6.489 4.405 1.00 1.26 H new ATOM 0 HG3 PRO B 47 -16.358 -7.263 2.857 1.00 1.26 H new ATOM 0 HD2 PRO B 47 -14.263 -5.568 3.165 1.00 1.19 H new ATOM 0 HD3 PRO B 47 -15.147 -5.606 1.652 1.00 1.19 H new ATOM 2390 N HIS B 48 -16.079 -3.634 5.640 1.00 1.14 N ATOM 2391 CA HIS B 48 -16.023 -3.528 7.096 1.00 1.18 C ATOM 2392 C HIS B 48 -16.950 -2.450 7.676 1.00 1.39 C ATOM 2393 O HIS B 48 -17.592 -2.690 8.698 1.00 2.33 O ATOM 2394 CB HIS B 48 -14.565 -3.284 7.509 1.00 1.34 C ATOM 2395 CG HIS B 48 -14.350 -3.147 8.996 1.00 1.98 C ATOM 2396 ND1 HIS B 48 -13.606 -2.169 9.613 1.00 2.99 N ATOM 2397 CD2 HIS B 48 -14.831 -3.976 9.975 1.00 3.08 C ATOM 2398 CE1 HIS B 48 -13.661 -2.386 10.936 1.00 3.67 C ATOM 2399 NE2 HIS B 48 -14.390 -3.480 11.209 1.00 3.80 N ATOM 0 H HIS B 48 -15.152 -3.673 5.216 1.00 1.14 H new ATOM 0 HA HIS B 48 -16.389 -4.466 7.512 1.00 1.18 H new ATOM 0 HB2 HIS B 48 -13.954 -4.108 7.141 1.00 1.34 H new ATOM 0 HB3 HIS B 48 -14.208 -2.378 7.018 1.00 1.34 H new ATOM 0 HD2 HIS B 48 -15.441 -4.854 9.823 1.00 3.08 H new ATOM 0 HE1 HIS B 48 -13.184 -1.765 11.680 1.00 3.67 H new ATOM 0 HE2 HIS B 48 -14.584 -3.872 12.131 1.00 3.80 H new ATOM 2407 N LEU B 49 -16.990 -1.257 7.066 1.00 1.19 N ATOM 2408 CA LEU B 49 -17.835 -0.158 7.541 1.00 1.29 C ATOM 2409 C LEU B 49 -17.992 0.950 6.493 1.00 1.33 C ATOM 2410 O LEU B 49 -19.072 1.518 6.377 1.00 1.62 O ATOM 2411 CB LEU B 49 -17.283 0.417 8.857 1.00 1.32 C ATOM 2412 CG LEU B 49 -18.233 1.406 9.553 1.00 1.67 C ATOM 2413 CD1 LEU B 49 -19.548 0.749 9.993 1.00 1.98 C ATOM 2414 CD2 LEU B 49 -17.525 1.987 10.782 1.00 3.00 C ATOM 0 H LEU B 49 -16.442 -1.030 6.236 1.00 1.19 H new ATOM 0 HA LEU B 49 -18.827 -0.571 7.722 1.00 1.29 H new ATOM 0 HB2 LEU B 49 -17.067 -0.405 9.539 1.00 1.32 H new ATOM 0 HB3 LEU B 49 -16.337 0.919 8.654 1.00 1.32 H new ATOM 0 HG LEU B 49 -18.484 2.187 8.835 1.00 1.67 H new ATOM 0 HD11 LEU B 49 -20.181 1.492 10.478 1.00 1.98 H new ATOM 0 HD12 LEU B 49 -20.064 0.347 9.121 1.00 1.98 H new ATOM 0 HD13 LEU B 49 -19.335 -0.059 10.693 1.00 1.98 H new ATOM 0 HD21 LEU B 49 -18.188 2.691 11.285 1.00 3.00 H new ATOM 0 HD22 LEU B 49 -17.265 1.180 11.467 1.00 3.00 H new ATOM 0 HD23 LEU B 49 -16.618 2.504 10.469 1.00 3.00 H new ATOM 2426 N LEU B 50 -16.915 1.257 5.760 1.00 1.19 N ATOM 2427 CA LEU B 50 -16.818 2.264 4.701 1.00 1.25 C ATOM 2428 C LEU B 50 -17.464 3.602 5.088 1.00 1.18 C ATOM 2429 O LEU B 50 -18.311 4.163 4.398 1.00 1.32 O ATOM 2430 CB LEU B 50 -17.087 1.713 3.282 1.00 1.56 C ATOM 2431 CG LEU B 50 -18.394 0.978 2.919 1.00 2.03 C ATOM 2432 CD1 LEU B 50 -18.593 -0.381 3.604 1.00 3.34 C ATOM 2433 CD2 LEU B 50 -19.636 1.849 3.090 1.00 4.00 C ATOM 0 H LEU B 50 -16.028 0.774 5.903 1.00 1.19 H new ATOM 0 HA LEU B 50 -15.767 2.538 4.610 1.00 1.25 H new ATOM 0 HB2 LEU B 50 -17.001 2.557 2.597 1.00 1.56 H new ATOM 0 HB3 LEU B 50 -16.269 1.030 3.051 1.00 1.56 H new ATOM 0 HG LEU B 50 -18.266 0.762 1.858 1.00 2.03 H new ATOM 0 HD11 LEU B 50 -19.540 -0.815 3.283 1.00 3.34 H new ATOM 0 HD12 LEU B 50 -17.776 -1.049 3.331 1.00 3.34 H new ATOM 0 HD13 LEU B 50 -18.605 -0.245 4.685 1.00 3.34 H new ATOM 0 HD21 LEU B 50 -20.523 1.276 2.819 1.00 4.00 H new ATOM 0 HD22 LEU B 50 -19.715 2.170 4.129 1.00 4.00 H new ATOM 0 HD23 LEU B 50 -19.559 2.724 2.444 1.00 4.00 H new ATOM 2445 N LYS B 51 -17.020 4.105 6.241 1.00 1.09 N ATOM 2446 CA LYS B 51 -17.496 5.324 6.886 1.00 1.11 C ATOM 2447 C LYS B 51 -16.902 6.585 6.240 1.00 1.14 C ATOM 2448 O LYS B 51 -17.539 7.633 6.211 1.00 1.25 O ATOM 2449 CB LYS B 51 -17.149 5.225 8.380 1.00 1.14 C ATOM 2450 CG LYS B 51 -15.631 5.205 8.636 1.00 1.18 C ATOM 2451 CD LYS B 51 -15.093 6.634 8.830 1.00 1.47 C ATOM 2452 CE LYS B 51 -14.743 6.936 10.286 1.00 1.67 C ATOM 2453 NZ LYS B 51 -14.337 8.347 10.446 1.00 2.93 N ATOM 0 H LYS B 51 -16.281 3.648 6.775 1.00 1.09 H new ATOM 0 HA LYS B 51 -18.575 5.415 6.760 1.00 1.11 H new ATOM 0 HB2 LYS B 51 -17.592 6.069 8.909 1.00 1.14 H new ATOM 0 HB3 LYS B 51 -17.595 4.321 8.794 1.00 1.14 H new ATOM 0 HG2 LYS B 51 -15.414 4.606 9.521 1.00 1.18 H new ATOM 0 HG3 LYS B 51 -15.122 4.730 7.797 1.00 1.18 H new ATOM 0 HD2 LYS B 51 -14.207 6.772 8.211 1.00 1.47 H new ATOM 0 HD3 LYS B 51 -15.839 7.349 8.483 1.00 1.47 H new ATOM 0 HE2 LYS B 51 -15.603 6.726 10.922 1.00 1.67 H new ATOM 0 HE3 LYS B 51 -13.936 6.281 10.614 1.00 1.67 H new ATOM 0 HZ1 LYS B 51 -14.104 8.530 11.443 1.00 2.93 H new ATOM 0 HZ2 LYS B 51 -13.503 8.537 9.855 1.00 2.93 H new ATOM 0 HZ3 LYS B 51 -15.118 8.968 10.153 1.00 2.93 H new ATOM 2467 N ASP B 52 -15.648 6.463 5.805 1.00 1.13 N ATOM 2468 CA ASP B 52 -14.937 7.236 4.808 1.00 1.07 C ATOM 2469 C ASP B 52 -15.203 8.743 4.774 1.00 1.02 C ATOM 2470 O ASP B 52 -16.123 9.206 4.104 1.00 1.17 O ATOM 2471 CB ASP B 52 -15.063 6.513 3.458 1.00 1.34 C ATOM 2472 CG ASP B 52 -14.641 5.038 3.513 1.00 1.91 C ATOM 2473 OD1 ASP B 52 -14.353 4.552 4.637 1.00 3.32 O ATOM 2474 OD2 ASP B 52 -14.659 4.394 2.445 1.00 2.09 O ATOM 0 H ASP B 52 -15.046 5.736 6.192 1.00 1.13 H new ATOM 0 HA ASP B 52 -13.889 7.264 5.106 1.00 1.07 H new ATOM 0 HB2 ASP B 52 -16.096 6.575 3.117 1.00 1.34 H new ATOM 0 HB3 ASP B 52 -14.452 7.031 2.719 1.00 1.34 H new ATOM 2479 N VAL B 53 -14.367 9.515 5.487 1.00 1.10 N ATOM 2480 CA VAL B 53 -14.406 10.972 5.501 1.00 1.27 C ATOM 2481 C VAL B 53 -12.982 11.551 5.573 1.00 1.32 C ATOM 2482 O VAL B 53 -12.071 10.897 6.087 1.00 1.68 O ATOM 2483 CB VAL B 53 -15.319 11.445 6.648 1.00 1.78 C ATOM 2484 CG1 VAL B 53 -14.794 11.021 8.026 1.00 2.58 C ATOM 2485 CG2 VAL B 53 -15.538 12.962 6.617 1.00 3.10 C ATOM 0 H VAL B 53 -13.633 9.128 6.080 1.00 1.10 H new ATOM 0 HA VAL B 53 -14.833 11.348 4.571 1.00 1.27 H new ATOM 0 HB VAL B 53 -16.278 10.953 6.487 1.00 1.78 H new ATOM 0 HG11 VAL B 53 -15.473 11.379 8.800 1.00 2.58 H new ATOM 0 HG12 VAL B 53 -14.731 9.934 8.073 1.00 2.58 H new ATOM 0 HG13 VAL B 53 -13.804 11.449 8.186 1.00 2.58 H new ATOM 0 HG21 VAL B 53 -16.187 13.253 7.443 1.00 3.10 H new ATOM 0 HG22 VAL B 53 -14.579 13.470 6.714 1.00 3.10 H new ATOM 0 HG23 VAL B 53 -16.004 13.243 5.673 1.00 3.10 H new ATOM 2495 N GLY B 54 -12.775 12.765 5.051 1.00 1.46 N ATOM 2496 CA GLY B 54 -11.568 13.568 5.201 1.00 1.63 C ATOM 2497 C GLY B 54 -10.462 13.082 4.271 1.00 1.47 C ATOM 2498 O GLY B 54 -10.138 13.710 3.262 1.00 1.97 O ATOM 0 H GLY B 54 -13.483 13.233 4.485 1.00 1.46 H new ATOM 0 HA2 GLY B 54 -11.794 14.612 4.986 1.00 1.63 H new ATOM 0 HA3 GLY B 54 -11.224 13.522 6.234 1.00 1.63 H new ATOM 2502 N SER B 55 -9.904 11.920 4.605 1.00 1.18 N ATOM 2503 CA SER B 55 -8.978 11.235 3.716 1.00 1.44 C ATOM 2504 C SER B 55 -9.761 10.824 2.454 1.00 1.43 C ATOM 2505 O SER B 55 -9.267 10.918 1.329 1.00 1.60 O ATOM 2506 CB SER B 55 -8.317 10.097 4.486 1.00 1.73 C ATOM 2507 OG SER B 55 -7.443 9.333 3.685 1.00 2.41 O ATOM 0 H SER B 55 -10.079 11.436 5.486 1.00 1.18 H new ATOM 0 HA SER B 55 -8.155 11.862 3.372 1.00 1.44 H new ATOM 0 HB2 SER B 55 -7.763 10.508 5.330 1.00 1.73 H new ATOM 0 HB3 SER B 55 -9.088 9.446 4.898 1.00 1.73 H new ATOM 0 HG SER B 55 -6.690 9.891 3.398 1.00 2.41 H new ATOM 2513 N LEU B 56 -11.046 10.483 2.640 1.00 1.25 N ATOM 2514 CA LEU B 56 -12.013 10.330 1.561 1.00 1.25 C ATOM 2515 C LEU B 56 -11.963 11.558 0.680 1.00 1.35 C ATOM 2516 O LEU B 56 -11.709 11.423 -0.507 1.00 1.50 O ATOM 2517 CB LEU B 56 -13.422 10.107 2.124 1.00 1.24 C ATOM 2518 CG LEU B 56 -14.585 10.011 1.113 1.00 1.65 C ATOM 2519 CD1 LEU B 56 -15.089 11.367 0.597 1.00 1.90 C ATOM 2520 CD2 LEU B 56 -14.308 9.064 -0.059 1.00 2.61 C ATOM 0 H LEU B 56 -11.441 10.305 3.563 1.00 1.25 H new ATOM 0 HA LEU B 56 -11.761 9.453 0.964 1.00 1.25 H new ATOM 0 HB2 LEU B 56 -13.409 9.188 2.710 1.00 1.24 H new ATOM 0 HB3 LEU B 56 -13.642 10.922 2.814 1.00 1.24 H new ATOM 0 HG LEU B 56 -15.390 9.577 1.706 1.00 1.65 H new ATOM 0 HD11 LEU B 56 -15.905 11.208 -0.108 1.00 1.90 H new ATOM 0 HD12 LEU B 56 -15.445 11.966 1.435 1.00 1.90 H new ATOM 0 HD13 LEU B 56 -14.275 11.891 0.096 1.00 1.90 H new ATOM 0 HD21 LEU B 56 -15.170 9.049 -0.726 1.00 2.61 H new ATOM 0 HD22 LEU B 56 -13.431 9.409 -0.607 1.00 2.61 H new ATOM 0 HD23 LEU B 56 -14.126 8.059 0.321 1.00 2.61 H new ATOM 2532 N ASP B 57 -12.199 12.744 1.242 1.00 1.31 N ATOM 2533 CA ASP B 57 -12.243 13.979 0.487 1.00 1.43 C ATOM 2534 C ASP B 57 -10.973 14.133 -0.349 1.00 1.50 C ATOM 2535 O ASP B 57 -11.068 14.360 -1.555 1.00 1.61 O ATOM 2536 CB ASP B 57 -12.455 15.181 1.422 1.00 1.52 C ATOM 2537 CG ASP B 57 -13.697 15.042 2.296 1.00 2.67 C ATOM 2538 OD1 ASP B 57 -13.807 13.992 2.972 1.00 4.24 O ATOM 2539 OD2 ASP B 57 -14.496 15.999 2.291 1.00 3.16 O ATOM 0 H ASP B 57 -12.365 12.867 2.241 1.00 1.31 H new ATOM 0 HA ASP B 57 -13.092 13.944 -0.196 1.00 1.43 H new ATOM 0 HB2 ASP B 57 -11.579 15.297 2.060 1.00 1.52 H new ATOM 0 HB3 ASP B 57 -12.537 16.089 0.825 1.00 1.52 H new ATOM 2544 N GLU B 58 -9.788 14.025 0.280 1.00 1.51 N ATOM 2545 CA GLU B 58 -8.500 13.991 -0.429 1.00 1.62 C ATOM 2546 C GLU B 58 -8.581 13.081 -1.662 1.00 1.50 C ATOM 2547 O GLU B 58 -8.302 13.507 -2.785 1.00 1.55 O ATOM 2548 CB GLU B 58 -7.344 13.562 0.488 1.00 1.69 C ATOM 2549 CG GLU B 58 -6.949 14.639 1.507 1.00 2.01 C ATOM 2550 CD GLU B 58 -5.705 14.221 2.292 1.00 3.66 C ATOM 2551 OE1 GLU B 58 -4.642 14.045 1.651 1.00 4.33 O ATOM 2552 OE2 GLU B 58 -5.830 14.078 3.524 1.00 4.84 O ATOM 0 H GLU B 58 -9.699 13.959 1.294 1.00 1.51 H new ATOM 0 HA GLU B 58 -8.289 15.008 -0.759 1.00 1.62 H new ATOM 0 HB2 GLU B 58 -7.629 12.654 1.020 1.00 1.69 H new ATOM 0 HB3 GLU B 58 -6.476 13.314 -0.124 1.00 1.69 H new ATOM 0 HG2 GLU B 58 -6.759 15.580 0.991 1.00 2.01 H new ATOM 0 HG3 GLU B 58 -7.776 14.814 2.195 1.00 2.01 H new ATOM 2559 N LYS B 59 -8.991 11.834 -1.446 1.00 1.40 N ATOM 2560 CA LYS B 59 -9.082 10.830 -2.492 1.00 1.36 C ATOM 2561 C LYS B 59 -10.057 11.263 -3.590 1.00 1.41 C ATOM 2562 O LYS B 59 -9.760 11.162 -4.781 1.00 1.48 O ATOM 2563 CB LYS B 59 -9.520 9.503 -1.859 1.00 1.18 C ATOM 2564 CG LYS B 59 -9.043 8.340 -2.719 1.00 0.95 C ATOM 2565 CD LYS B 59 -9.327 6.993 -2.051 1.00 0.96 C ATOM 2566 CE LYS B 59 -10.781 6.545 -2.096 1.00 1.33 C ATOM 2567 NZ LYS B 59 -11.507 6.968 -0.878 1.00 1.56 N ATOM 0 H LYS B 59 -9.272 11.492 -0.527 1.00 1.40 H new ATOM 0 HA LYS B 59 -8.107 10.706 -2.963 1.00 1.36 H new ATOM 0 HB2 LYS B 59 -9.109 9.416 -0.853 1.00 1.18 H new ATOM 0 HB3 LYS B 59 -10.605 9.476 -1.764 1.00 1.18 H new ATOM 0 HG2 LYS B 59 -9.538 8.377 -3.689 1.00 0.95 H new ATOM 0 HG3 LYS B 59 -7.973 8.437 -2.903 1.00 0.95 H new ATOM 0 HD2 LYS B 59 -8.713 6.231 -2.530 1.00 0.96 H new ATOM 0 HD3 LYS B 59 -9.012 7.048 -1.009 1.00 0.96 H new ATOM 0 HE2 LYS B 59 -11.267 6.965 -2.977 1.00 1.33 H new ATOM 0 HE3 LYS B 59 -10.828 5.460 -2.193 1.00 1.33 H new ATOM 0 HZ1 LYS B 59 -12.082 6.177 -0.524 1.00 1.56 H new ATOM 0 HZ2 LYS B 59 -10.823 7.253 -0.148 1.00 1.56 H new ATOM 0 HZ3 LYS B 59 -12.127 7.772 -1.105 1.00 1.56 H new ATOM 2581 N MET B 60 -11.237 11.723 -3.174 1.00 1.41 N ATOM 2582 CA MET B 60 -12.338 12.091 -4.037 1.00 1.46 C ATOM 2583 C MET B 60 -11.860 13.119 -5.045 1.00 1.56 C ATOM 2584 O MET B 60 -12.166 12.977 -6.221 1.00 1.47 O ATOM 2585 CB MET B 60 -13.514 12.630 -3.213 1.00 1.53 C ATOM 2586 CG MET B 60 -14.795 12.698 -4.059 1.00 1.55 C ATOM 2587 SD MET B 60 -16.107 13.766 -3.414 1.00 2.07 S ATOM 2588 CE MET B 60 -15.404 15.393 -3.775 1.00 3.73 C ATOM 0 H MET B 60 -11.451 11.851 -2.185 1.00 1.41 H new ATOM 0 HA MET B 60 -12.690 11.209 -4.572 1.00 1.46 H new ATOM 0 HB2 MET B 60 -13.680 11.989 -2.347 1.00 1.53 H new ATOM 0 HB3 MET B 60 -13.272 13.623 -2.833 1.00 1.53 H new ATOM 0 HG2 MET B 60 -14.530 13.042 -5.059 1.00 1.55 H new ATOM 0 HG3 MET B 60 -15.193 11.689 -4.165 1.00 1.55 H new ATOM 0 HE1 MET B 60 -16.147 16.164 -3.571 1.00 3.73 H new ATOM 0 HE2 MET B 60 -14.528 15.558 -3.148 1.00 3.73 H new ATOM 0 HE3 MET B 60 -15.113 15.439 -4.824 1.00 3.73 H new ATOM 2598 N LYS B 61 -11.100 14.130 -4.604 1.00 1.75 N ATOM 2599 CA LYS B 61 -10.574 15.122 -5.539 1.00 1.90 C ATOM 2600 C LYS B 61 -9.737 14.424 -6.611 1.00 1.75 C ATOM 2601 O LYS B 61 -9.949 14.631 -7.801 1.00 1.73 O ATOM 2602 CB LYS B 61 -9.722 16.178 -4.830 1.00 2.29 C ATOM 2603 CG LYS B 61 -10.496 16.932 -3.742 1.00 1.65 C ATOM 2604 CD LYS B 61 -9.642 16.920 -2.476 1.00 2.08 C ATOM 2605 CE LYS B 61 -10.378 17.559 -1.286 1.00 2.38 C ATOM 2606 NZ LYS B 61 -9.706 17.293 0.006 1.00 3.31 N ATOM 0 H LYS B 61 -10.842 14.278 -3.628 1.00 1.75 H new ATOM 0 HA LYS B 61 -11.422 15.630 -5.997 1.00 1.90 H new ATOM 0 HB2 LYS B 61 -8.852 15.697 -4.383 1.00 2.29 H new ATOM 0 HB3 LYS B 61 -9.349 16.891 -5.565 1.00 2.29 H new ATOM 0 HG2 LYS B 61 -10.700 17.955 -4.057 1.00 1.65 H new ATOM 0 HG3 LYS B 61 -11.460 16.457 -3.558 1.00 1.65 H new ATOM 0 HD2 LYS B 61 -9.373 15.893 -2.228 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -8.712 17.458 -2.660 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -10.446 18.636 -1.441 1.00 2.38 H new ATOM 0 HE3 LYS B 61 -11.398 17.177 -1.247 1.00 2.38 H new ATOM 0 HZ1 LYS B 61 -9.722 18.154 0.589 1.00 3.31 H new ATOM 0 HZ2 LYS B 61 -10.203 16.528 0.505 1.00 3.31 H new ATOM 0 HZ3 LYS B 61 -8.720 17.010 -0.167 1.00 3.31 H new ATOM 2620 N SER B 62 -8.786 13.591 -6.179 1.00 1.71 N ATOM 2621 CA SER B 62 -7.927 12.859 -7.112 1.00 1.64 C ATOM 2622 C SER B 62 -8.759 12.148 -8.190 1.00 1.42 C ATOM 2623 O SER B 62 -8.458 12.264 -9.378 1.00 1.40 O ATOM 2624 CB SER B 62 -6.973 11.885 -6.396 1.00 1.70 C ATOM 2625 OG SER B 62 -5.819 11.724 -7.203 1.00 2.28 O ATOM 0 H SER B 62 -8.593 13.408 -5.194 1.00 1.71 H new ATOM 0 HA SER B 62 -7.297 13.597 -7.608 1.00 1.64 H new ATOM 0 HB2 SER B 62 -6.700 12.273 -5.415 1.00 1.70 H new ATOM 0 HB3 SER B 62 -7.461 10.924 -6.234 1.00 1.70 H new ATOM 0 HG SER B 62 -5.644 10.769 -7.337 1.00 2.28 H new ATOM 2631 N LEU B 63 -9.828 11.441 -7.796 1.00 1.30 N ATOM 2632 CA LEU B 63 -10.705 10.814 -8.785 1.00 1.18 C ATOM 2633 C LEU B 63 -11.395 11.903 -9.625 1.00 1.27 C ATOM 2634 O LEU B 63 -11.270 11.895 -10.845 1.00 1.29 O ATOM 2635 CB LEU B 63 -11.681 9.781 -8.178 1.00 1.14 C ATOM 2636 CG LEU B 63 -11.078 8.557 -7.449 1.00 1.15 C ATOM 2637 CD1 LEU B 63 -9.575 8.590 -7.138 1.00 1.25 C ATOM 2638 CD2 LEU B 63 -11.774 8.354 -6.098 1.00 1.49 C ATOM 0 H LEU B 63 -10.099 11.293 -6.824 1.00 1.30 H new ATOM 0 HA LEU B 63 -10.089 10.214 -9.455 1.00 1.18 H new ATOM 0 HB2 LEU B 63 -12.327 10.305 -7.474 1.00 1.14 H new ATOM 0 HB3 LEU B 63 -12.319 9.411 -8.981 1.00 1.14 H new ATOM 0 HG LEU B 63 -11.237 7.756 -8.170 1.00 1.15 H new ATOM 0 HD11 LEU B 63 -9.289 7.671 -6.627 1.00 1.25 H new ATOM 0 HD12 LEU B 63 -9.013 8.678 -8.068 1.00 1.25 H new ATOM 0 HD13 LEU B 63 -9.354 9.445 -6.498 1.00 1.25 H new ATOM 0 HD21 LEU B 63 -11.342 7.490 -5.593 1.00 1.49 H new ATOM 0 HD22 LEU B 63 -11.636 9.242 -5.481 1.00 1.49 H new ATOM 0 HD23 LEU B 63 -12.839 8.186 -6.259 1.00 1.49 H new ATOM 2650 N ASP B 64 -12.081 12.854 -8.988 1.00 1.38 N ATOM 2651 CA ASP B 64 -12.841 13.929 -9.633 1.00 1.54 C ATOM 2652 C ASP B 64 -12.074 14.564 -10.800 1.00 1.59 C ATOM 2653 O ASP B 64 -12.589 14.658 -11.917 1.00 1.63 O ATOM 2654 CB ASP B 64 -13.217 14.981 -8.582 1.00 1.77 C ATOM 2655 CG ASP B 64 -13.991 16.138 -9.193 1.00 2.08 C ATOM 2656 OD1 ASP B 64 -15.236 16.033 -9.222 1.00 2.21 O ATOM 2657 OD2 ASP B 64 -13.323 17.116 -9.588 1.00 2.72 O ATOM 0 H ASP B 64 -12.125 12.899 -7.970 1.00 1.38 H new ATOM 0 HA ASP B 64 -13.747 13.499 -10.060 1.00 1.54 H new ATOM 0 HB2 ASP B 64 -13.817 14.515 -7.800 1.00 1.77 H new ATOM 0 HB3 ASP B 64 -12.312 15.360 -8.107 1.00 1.77 H new ATOM 2662 N VAL B 65 -10.825 14.958 -10.531 1.00 1.61 N ATOM 2663 CA VAL B 65 -9.942 15.653 -11.466 1.00 1.72 C ATOM 2664 C VAL B 65 -9.919 14.953 -12.820 1.00 1.71 C ATOM 2665 O VAL B 65 -10.215 15.551 -13.857 1.00 1.87 O ATOM 2666 CB VAL B 65 -8.525 15.720 -10.867 1.00 1.78 C ATOM 2667 CG1 VAL B 65 -7.449 16.137 -11.877 1.00 2.18 C ATOM 2668 CG2 VAL B 65 -8.511 16.730 -9.726 1.00 2.01 C ATOM 0 H VAL B 65 -10.388 14.795 -9.624 1.00 1.61 H new ATOM 0 HA VAL B 65 -10.318 16.664 -11.625 1.00 1.72 H new ATOM 0 HB VAL B 65 -8.288 14.711 -10.529 1.00 1.78 H new ATOM 0 HG11 VAL B 65 -6.477 16.162 -11.384 1.00 2.18 H new ATOM 0 HG12 VAL B 65 -7.421 15.419 -12.696 1.00 2.18 H new ATOM 0 HG13 VAL B 65 -7.683 17.127 -12.270 1.00 2.18 H new ATOM 0 HG21 VAL B 65 -7.510 16.782 -9.298 1.00 2.01 H new ATOM 0 HG22 VAL B 65 -8.794 17.712 -10.106 1.00 2.01 H new ATOM 0 HG23 VAL B 65 -9.219 16.420 -8.957 1.00 2.01 H new ATOM 2678 N ASN B 66 -9.496 13.690 -12.815 1.00 1.57 N ATOM 2679 CA ASN B 66 -9.443 12.921 -14.055 1.00 1.54 C ATOM 2680 C ASN B 66 -9.453 11.412 -13.840 1.00 1.51 C ATOM 2681 O ASN B 66 -8.568 10.686 -14.291 1.00 1.49 O ATOM 2682 CB ASN B 66 -8.289 13.406 -14.955 1.00 1.46 C ATOM 2683 CG ASN B 66 -8.792 13.666 -16.368 1.00 1.77 C ATOM 2684 OD1 ASN B 66 -8.403 12.994 -17.317 1.00 3.26 O ATOM 2685 ND2 ASN B 66 -9.658 14.666 -16.508 1.00 1.91 N ATOM 0 H ASN B 66 -9.190 13.186 -11.983 1.00 1.57 H new ATOM 0 HA ASN B 66 -10.372 13.117 -14.590 1.00 1.54 H new ATOM 0 HB2 ASN B 66 -7.856 14.317 -14.543 1.00 1.46 H new ATOM 0 HB3 ASN B 66 -7.497 12.658 -14.976 1.00 1.46 H new ATOM 0 HD21 ASN B 66 -10.024 14.898 -17.431 1.00 1.91 H new ATOM 0 HD22 ASN B 66 -9.956 15.200 -15.692 1.00 1.91 H new ATOM 2692 N GLN B 67 -10.516 10.928 -13.200 1.00 1.52 N ATOM 2693 CA GLN B 67 -10.775 9.523 -12.959 1.00 1.38 C ATOM 2694 C GLN B 67 -10.647 8.663 -14.221 1.00 1.37 C ATOM 2695 O GLN B 67 -10.373 7.462 -14.165 1.00 1.34 O ATOM 2696 CB GLN B 67 -12.172 9.333 -12.348 1.00 1.34 C ATOM 2697 CG GLN B 67 -13.340 10.003 -13.104 1.00 1.43 C ATOM 2698 CD GLN B 67 -13.541 11.464 -12.726 1.00 2.54 C ATOM 2699 OE1 GLN B 67 -14.110 11.734 -11.675 1.00 3.49 O ATOM 2700 NE2 GLN B 67 -13.083 12.397 -13.553 1.00 3.32 N ATOM 0 H GLN B 67 -11.245 11.534 -12.823 1.00 1.52 H new ATOM 0 HA GLN B 67 -10.010 9.186 -12.259 1.00 1.38 H new ATOM 0 HB2 GLN B 67 -12.375 8.264 -12.281 1.00 1.34 H new ATOM 0 HB3 GLN B 67 -12.156 9.719 -11.329 1.00 1.34 H new ATOM 0 HG2 GLN B 67 -13.157 9.934 -14.176 1.00 1.43 H new ATOM 0 HG3 GLN B 67 -14.259 9.452 -12.901 1.00 1.43 H new ATOM 0 HE21 GLN B 67 -12.615 12.127 -14.418 1.00 3.32 H new ATOM 0 HE22 GLN B 67 -13.199 13.384 -13.323 1.00 3.32 H new ATOM 2709 N ASP B 68 -10.917 9.307 -15.349 1.00 1.46 N ATOM 2710 CA ASP B 68 -10.973 8.782 -16.692 1.00 1.39 C ATOM 2711 C ASP B 68 -9.585 8.352 -17.176 1.00 1.39 C ATOM 2712 O ASP B 68 -9.473 7.497 -18.050 1.00 1.50 O ATOM 2713 CB ASP B 68 -11.539 9.897 -17.598 1.00 1.43 C ATOM 2714 CG ASP B 68 -12.676 10.688 -16.948 1.00 2.68 C ATOM 2715 OD1 ASP B 68 -12.357 11.436 -15.988 1.00 4.25 O ATOM 2716 OD2 ASP B 68 -13.833 10.489 -17.368 1.00 3.22 O ATOM 0 H ASP B 68 -11.121 10.306 -15.336 1.00 1.46 H new ATOM 0 HA ASP B 68 -11.609 7.897 -16.723 1.00 1.39 H new ATOM 0 HB2 ASP B 68 -10.734 10.583 -17.864 1.00 1.43 H new ATOM 0 HB3 ASP B 68 -11.899 9.453 -18.526 1.00 1.43 H new ATOM 2721 N SER B 69 -8.525 8.947 -16.619 1.00 1.37 N ATOM 2722 CA SER B 69 -7.164 8.957 -17.165 1.00 1.43 C ATOM 2723 C SER B 69 -6.401 7.636 -16.971 1.00 1.75 C ATOM 2724 O SER B 69 -5.178 7.644 -16.835 1.00 3.39 O ATOM 2725 CB SER B 69 -6.430 10.093 -16.446 1.00 1.37 C ATOM 2726 OG SER B 69 -5.276 10.528 -17.143 1.00 2.06 O ATOM 0 H SER B 69 -8.595 9.456 -15.738 1.00 1.37 H new ATOM 0 HA SER B 69 -7.217 9.096 -18.245 1.00 1.43 H new ATOM 0 HB2 SER B 69 -7.110 10.935 -16.317 1.00 1.37 H new ATOM 0 HB3 SER B 69 -6.143 9.760 -15.449 1.00 1.37 H new ATOM 0 HG SER B 69 -4.713 9.755 -17.358 1.00 2.06 H new ATOM 2732 N GLU B 70 -7.121 6.515 -16.899 1.00 0.89 N ATOM 2733 CA GLU B 70 -6.629 5.233 -16.410 1.00 0.88 C ATOM 2734 C GLU B 70 -6.086 5.345 -14.978 1.00 0.88 C ATOM 2735 O GLU B 70 -5.812 6.424 -14.455 1.00 1.13 O ATOM 2736 CB GLU B 70 -5.582 4.621 -17.355 1.00 0.96 C ATOM 2737 CG GLU B 70 -6.115 4.432 -18.784 1.00 1.70 C ATOM 2738 CD GLU B 70 -5.260 5.170 -19.806 1.00 2.67 C ATOM 2739 OE1 GLU B 70 -4.086 4.763 -19.951 1.00 2.85 O ATOM 2740 OE2 GLU B 70 -5.794 6.113 -20.428 1.00 4.06 O ATOM 0 H GLU B 70 -8.098 6.477 -17.191 1.00 0.89 H new ATOM 0 HA GLU B 70 -7.482 4.555 -16.388 1.00 0.88 H new ATOM 0 HB2 GLU B 70 -4.702 5.264 -17.381 1.00 0.96 H new ATOM 0 HB3 GLU B 70 -5.261 3.657 -16.960 1.00 0.96 H new ATOM 0 HG2 GLU B 70 -6.137 3.370 -19.027 1.00 1.70 H new ATOM 0 HG3 GLU B 70 -7.142 4.793 -18.840 1.00 1.70 H new ATOM 2747 N LEU B 71 -5.937 4.199 -14.322 1.00 1.00 N ATOM 2748 CA LEU B 71 -5.237 4.075 -13.057 1.00 1.12 C ATOM 2749 C LEU B 71 -3.862 3.491 -13.348 1.00 0.90 C ATOM 2750 O LEU B 71 -3.691 2.825 -14.367 1.00 0.93 O ATOM 2751 CB LEU B 71 -6.056 3.148 -12.156 1.00 1.65 C ATOM 2752 CG LEU B 71 -5.585 3.029 -10.703 1.00 1.65 C ATOM 2753 CD1 LEU B 71 -5.566 4.382 -9.989 1.00 1.52 C ATOM 2754 CD2 LEU B 71 -6.594 2.120 -10.003 1.00 2.82 C ATOM 0 H LEU B 71 -6.309 3.314 -14.666 1.00 1.00 H new ATOM 0 HA LEU B 71 -5.116 5.034 -12.554 1.00 1.12 H new ATOM 0 HB2 LEU B 71 -7.089 3.496 -12.154 1.00 1.65 H new ATOM 0 HB3 LEU B 71 -6.056 2.152 -12.599 1.00 1.65 H new ATOM 0 HG LEU B 71 -4.568 2.638 -10.678 1.00 1.65 H new ATOM 0 HD11 LEU B 71 -5.226 4.247 -8.962 1.00 1.52 H new ATOM 0 HD12 LEU B 71 -4.889 5.059 -10.510 1.00 1.52 H new ATOM 0 HD13 LEU B 71 -6.570 4.806 -9.985 1.00 1.52 H new ATOM 0 HD21 LEU B 71 -6.309 1.997 -8.958 1.00 2.82 H new ATOM 0 HD22 LEU B 71 -7.586 2.567 -10.059 1.00 2.82 H new ATOM 0 HD23 LEU B 71 -6.607 1.146 -10.492 1.00 2.82 H new ATOM 2766 N LYS B 72 -2.901 3.693 -12.444 1.00 0.87 N ATOM 2767 CA LYS B 72 -1.670 2.920 -12.375 1.00 0.88 C ATOM 2768 C LYS B 72 -1.363 2.675 -10.897 1.00 0.77 C ATOM 2769 O LYS B 72 -1.941 3.343 -10.032 1.00 0.69 O ATOM 2770 CB LYS B 72 -0.506 3.627 -13.087 1.00 1.01 C ATOM 2771 CG LYS B 72 -0.840 3.966 -14.548 1.00 1.23 C ATOM 2772 CD LYS B 72 0.394 4.062 -15.454 1.00 2.25 C ATOM 2773 CE LYS B 72 1.051 2.675 -15.572 1.00 3.97 C ATOM 2774 NZ LYS B 72 1.564 2.381 -16.923 1.00 5.25 N ATOM 0 H LYS B 72 -2.963 4.415 -11.726 1.00 0.87 H new ATOM 0 HA LYS B 72 -1.798 1.971 -12.895 1.00 0.88 H new ATOM 0 HB2 LYS B 72 -0.257 4.543 -12.551 1.00 1.01 H new ATOM 0 HB3 LYS B 72 0.378 2.989 -13.056 1.00 1.01 H new ATOM 0 HG2 LYS B 72 -1.513 3.205 -14.944 1.00 1.23 H new ATOM 0 HG3 LYS B 72 -1.377 4.914 -14.579 1.00 1.23 H new ATOM 0 HD2 LYS B 72 0.107 4.426 -16.441 1.00 2.25 H new ATOM 0 HD3 LYS B 72 1.105 4.780 -15.044 1.00 2.25 H new ATOM 0 HE2 LYS B 72 1.872 2.608 -14.858 1.00 3.97 H new ATOM 0 HE3 LYS B 72 0.324 1.912 -15.294 1.00 3.97 H new ATOM 0 HZ1 LYS B 72 1.854 1.383 -16.975 1.00 5.25 H new ATOM 0 HZ2 LYS B 72 0.818 2.562 -17.625 1.00 5.25 H new ATOM 0 HZ3 LYS B 72 2.383 2.990 -17.124 1.00 5.25 H new ATOM 2788 N PHE B 73 -0.444 1.738 -10.629 1.00 0.82 N ATOM 2789 CA PHE B 73 -0.051 1.308 -9.290 1.00 0.72 C ATOM 2790 C PHE B 73 0.096 2.493 -8.338 1.00 0.63 C ATOM 2791 O PHE B 73 -0.428 2.463 -7.232 1.00 0.53 O ATOM 2792 CB PHE B 73 1.258 0.496 -9.335 1.00 0.93 C ATOM 2793 CG PHE B 73 1.339 -0.538 -10.440 1.00 1.38 C ATOM 2794 CD1 PHE B 73 0.526 -1.682 -10.380 1.00 3.25 C ATOM 2795 CD2 PHE B 73 2.223 -0.365 -11.522 1.00 1.91 C ATOM 2796 CE1 PHE B 73 0.580 -2.645 -11.399 1.00 4.47 C ATOM 2797 CE2 PHE B 73 2.293 -1.340 -12.532 1.00 2.93 C ATOM 2798 CZ PHE B 73 1.470 -2.478 -12.471 1.00 4.04 C ATOM 0 H PHE B 73 0.060 1.245 -11.366 1.00 0.82 H new ATOM 0 HA PHE B 73 -0.847 0.668 -8.910 1.00 0.72 H new ATOM 0 HB2 PHE B 73 2.093 1.188 -9.445 1.00 0.93 H new ATOM 0 HB3 PHE B 73 1.387 -0.008 -8.377 1.00 0.93 H new ATOM 0 HD1 PHE B 73 -0.144 -1.821 -9.545 1.00 3.25 H new ATOM 0 HD2 PHE B 73 2.846 0.515 -11.576 1.00 1.91 H new ATOM 0 HE1 PHE B 73 -0.062 -3.513 -11.358 1.00 4.47 H new ATOM 0 HE2 PHE B 73 2.980 -1.215 -13.356 1.00 2.93 H new ATOM 0 HZ PHE B 73 1.523 -3.224 -13.250 1.00 4.04 H new ATOM 2808 N ASN B 74 0.825 3.527 -8.769 1.00 0.81 N ATOM 2809 CA ASN B 74 1.217 4.644 -7.920 1.00 0.86 C ATOM 2810 C ASN B 74 0.016 5.374 -7.305 1.00 0.68 C ATOM 2811 O ASN B 74 -0.030 5.565 -6.091 1.00 0.67 O ATOM 2812 CB ASN B 74 2.107 5.602 -8.722 1.00 1.20 C ATOM 2813 CG ASN B 74 2.761 6.652 -7.832 1.00 1.38 C ATOM 2814 OD1 ASN B 74 2.557 7.852 -8.019 1.00 2.54 O ATOM 2815 ND2 ASN B 74 3.568 6.224 -6.868 1.00 2.72 N ATOM 0 H ASN B 74 1.161 3.608 -9.729 1.00 0.81 H new ATOM 0 HA ASN B 74 1.781 4.245 -7.077 1.00 0.86 H new ATOM 0 HB2 ASN B 74 2.879 5.033 -9.239 1.00 1.20 H new ATOM 0 HB3 ASN B 74 1.510 6.097 -9.488 1.00 1.20 H new ATOM 0 HD21 ASN B 74 4.037 6.895 -6.260 1.00 2.72 H new ATOM 0 HD22 ASN B 74 3.719 5.224 -6.736 1.00 2.72 H new ATOM 2822 N GLU B 75 -0.951 5.790 -8.136 1.00 0.68 N ATOM 2823 CA GLU B 75 -2.158 6.445 -7.642 1.00 0.66 C ATOM 2824 C GLU B 75 -2.980 5.463 -6.815 1.00 0.59 C ATOM 2825 O GLU B 75 -3.369 5.792 -5.694 1.00 0.70 O ATOM 2826 CB GLU B 75 -3.013 7.033 -8.780 1.00 0.94 C ATOM 2827 CG GLU B 75 -2.809 8.544 -8.966 1.00 1.83 C ATOM 2828 CD GLU B 75 -3.237 9.345 -7.736 1.00 3.80 C ATOM 2829 OE1 GLU B 75 -4.460 9.462 -7.499 1.00 5.07 O ATOM 2830 OE2 GLU B 75 -2.309 9.812 -7.036 1.00 4.61 O ATOM 0 H GLU B 75 -0.915 5.682 -9.150 1.00 0.68 H new ATOM 0 HA GLU B 75 -1.844 7.279 -7.014 1.00 0.66 H new ATOM 0 HB2 GLU B 75 -2.769 6.522 -9.711 1.00 0.94 H new ATOM 0 HB3 GLU B 75 -4.065 6.837 -8.575 1.00 0.94 H new ATOM 0 HG2 GLU B 75 -1.759 8.743 -9.178 1.00 1.83 H new ATOM 0 HG3 GLU B 75 -3.379 8.881 -9.832 1.00 1.83 H new ATOM 2837 N TYR B 76 -3.242 4.266 -7.364 1.00 0.54 N ATOM 2838 CA TYR B 76 -3.986 3.226 -6.656 1.00 0.61 C ATOM 2839 C TYR B 76 -3.485 3.144 -5.226 1.00 0.59 C ATOM 2840 O TYR B 76 -4.266 3.227 -4.285 1.00 0.62 O ATOM 2841 CB TYR B 76 -3.804 1.871 -7.344 1.00 0.67 C ATOM 2842 CG TYR B 76 -4.262 0.670 -6.528 1.00 1.00 C ATOM 2843 CD1 TYR B 76 -3.348 -0.002 -5.693 1.00 1.79 C ATOM 2844 CD2 TYR B 76 -5.546 0.127 -6.721 1.00 1.89 C ATOM 2845 CE1 TYR B 76 -3.735 -1.174 -5.024 1.00 2.07 C ATOM 2846 CE2 TYR B 76 -5.916 -1.072 -6.087 1.00 2.17 C ATOM 2847 CZ TYR B 76 -5.007 -1.723 -5.238 1.00 1.80 C ATOM 2848 OH TYR B 76 -5.360 -2.876 -4.602 1.00 2.20 O ATOM 0 H TYR B 76 -2.945 3.999 -8.302 1.00 0.54 H new ATOM 0 HA TYR B 76 -5.046 3.478 -6.665 1.00 0.61 H new ATOM 0 HB2 TYR B 76 -4.352 1.882 -8.286 1.00 0.67 H new ATOM 0 HB3 TYR B 76 -2.750 1.744 -7.590 1.00 0.67 H new ATOM 0 HD1 TYR B 76 -2.348 0.385 -5.567 1.00 1.79 H new ATOM 0 HD2 TYR B 76 -6.252 0.635 -7.361 1.00 1.89 H new ATOM 0 HE1 TYR B 76 -3.050 -1.655 -4.342 1.00 2.07 H new ATOM 0 HE2 TYR B 76 -6.897 -1.491 -6.253 1.00 2.17 H new ATOM 0 HH TYR B 76 -6.274 -3.123 -4.856 1.00 2.20 H new ATOM 2858 N TRP B 77 -2.168 3.011 -5.091 1.00 0.56 N ATOM 2859 CA TRP B 77 -1.496 2.949 -3.814 1.00 0.51 C ATOM 2860 C TRP B 77 -1.984 4.026 -2.855 1.00 0.53 C ATOM 2861 O TRP B 77 -2.691 3.705 -1.902 1.00 0.56 O ATOM 2862 CB TRP B 77 0.020 3.009 -4.008 1.00 0.50 C ATOM 2863 CG TRP B 77 0.678 1.874 -3.346 1.00 0.55 C ATOM 2864 CD1 TRP B 77 1.045 1.907 -2.061 1.00 0.60 C ATOM 2865 CD2 TRP B 77 1.085 0.577 -3.869 1.00 0.62 C ATOM 2866 NE1 TRP B 77 1.580 0.694 -1.726 1.00 0.70 N ATOM 2867 CE2 TRP B 77 1.676 -0.158 -2.805 1.00 0.72 C ATOM 2868 CE3 TRP B 77 1.070 -0.034 -5.138 1.00 0.68 C ATOM 2869 CZ2 TRP B 77 2.208 -1.444 -2.980 1.00 0.85 C ATOM 2870 CZ3 TRP B 77 1.628 -1.310 -5.320 1.00 0.82 C ATOM 2871 CH2 TRP B 77 2.147 -2.039 -4.247 1.00 0.91 C ATOM 0 H TRP B 77 -1.534 2.943 -5.887 1.00 0.56 H new ATOM 0 HA TRP B 77 -1.745 1.993 -3.353 1.00 0.51 H new ATOM 0 HB2 TRP B 77 0.255 3.001 -5.072 1.00 0.50 H new ATOM 0 HB3 TRP B 77 0.406 3.945 -3.604 1.00 0.50 H new ATOM 0 HD1 TRP B 77 0.937 2.752 -1.397 1.00 0.60 H new ATOM 0 HE1 TRP B 77 1.875 0.447 -0.782 1.00 0.70 H new ATOM 0 HE3 TRP B 77 0.626 0.482 -5.977 1.00 0.68 H new ATOM 0 HZ2 TRP B 77 2.658 -1.968 -2.150 1.00 0.85 H new ATOM 0 HZ3 TRP B 77 1.657 -1.737 -6.312 1.00 0.82 H new ATOM 0 HH2 TRP B 77 2.497 -3.050 -4.393 1.00 0.91 H new ATOM 2882 N ARG B 78 -1.615 5.288 -3.105 1.00 0.55 N ATOM 2883 CA ARG B 78 -2.096 6.428 -2.342 1.00 0.63 C ATOM 2884 C ARG B 78 -3.582 6.253 -2.012 1.00 0.70 C ATOM 2885 O ARG B 78 -3.950 6.292 -0.848 1.00 0.81 O ATOM 2886 CB ARG B 78 -1.905 7.720 -3.157 1.00 0.84 C ATOM 2887 CG ARG B 78 -0.431 7.977 -3.478 1.00 1.23 C ATOM 2888 CD ARG B 78 -0.139 9.429 -3.838 1.00 1.32 C ATOM 2889 NE ARG B 78 -0.335 9.671 -5.275 1.00 1.96 N ATOM 2890 CZ ARG B 78 0.605 9.528 -6.220 1.00 3.13 C ATOM 2891 NH1 ARG B 78 1.883 9.286 -5.915 1.00 3.74 N ATOM 2892 NH2 ARG B 78 0.242 9.605 -7.497 1.00 4.39 N ATOM 0 H ARG B 78 -0.968 5.541 -3.852 1.00 0.55 H new ATOM 0 HA ARG B 78 -1.527 6.493 -1.415 1.00 0.63 H new ATOM 0 HB2 ARG B 78 -2.472 7.651 -4.085 1.00 0.84 H new ATOM 0 HB3 ARG B 78 -2.308 8.565 -2.599 1.00 0.84 H new ATOM 0 HG2 ARG B 78 0.176 7.693 -2.618 1.00 1.23 H new ATOM 0 HG3 ARG B 78 -0.129 7.336 -4.307 1.00 1.23 H new ATOM 0 HD2 ARG B 78 -0.791 10.087 -3.264 1.00 1.32 H new ATOM 0 HD3 ARG B 78 0.886 9.676 -3.562 1.00 1.32 H new ATOM 0 HE ARG B 78 -1.261 9.972 -5.577 1.00 1.96 H new ATOM 0 HH11 ARG B 78 2.168 9.205 -4.939 1.00 3.74 H new ATOM 0 HH12 ARG B 78 2.574 9.182 -6.658 1.00 3.74 H new ATOM 0 HH21 ARG B 78 -0.735 9.770 -7.741 1.00 4.39 H new ATOM 0 HH22 ARG B 78 0.940 9.499 -8.233 1.00 4.39 H new ATOM 2906 N LEU B 79 -4.426 6.009 -3.019 1.00 0.67 N ATOM 2907 CA LEU B 79 -5.870 5.889 -2.837 1.00 0.73 C ATOM 2908 C LEU B 79 -6.258 4.785 -1.835 1.00 0.72 C ATOM 2909 O LEU B 79 -7.077 5.038 -0.951 1.00 0.76 O ATOM 2910 CB LEU B 79 -6.567 5.718 -4.199 1.00 0.77 C ATOM 2911 CG LEU B 79 -6.699 6.993 -5.067 1.00 0.94 C ATOM 2912 CD1 LEU B 79 -5.687 8.119 -4.802 1.00 1.13 C ATOM 2913 CD2 LEU B 79 -6.640 6.636 -6.558 1.00 1.40 C ATOM 0 H LEU B 79 -4.123 5.889 -3.985 1.00 0.67 H new ATOM 0 HA LEU B 79 -6.224 6.818 -2.390 1.00 0.73 H new ATOM 0 HB2 LEU B 79 -6.020 4.969 -4.772 1.00 0.77 H new ATOM 0 HB3 LEU B 79 -7.566 5.318 -4.024 1.00 0.77 H new ATOM 0 HG LEU B 79 -7.668 7.394 -4.771 1.00 0.94 H new ATOM 0 HD11 LEU B 79 -5.887 8.954 -5.474 1.00 1.13 H new ATOM 0 HD12 LEU B 79 -5.779 8.455 -3.769 1.00 1.13 H new ATOM 0 HD13 LEU B 79 -4.677 7.748 -4.975 1.00 1.13 H new ATOM 0 HD21 LEU B 79 -6.734 7.544 -7.154 1.00 1.40 H new ATOM 0 HD22 LEU B 79 -5.688 6.154 -6.779 1.00 1.40 H new ATOM 0 HD23 LEU B 79 -7.456 5.956 -6.802 1.00 1.40 H new ATOM 2925 N ILE B 80 -5.717 3.564 -1.931 1.00 0.68 N ATOM 2926 CA ILE B 80 -6.043 2.551 -0.922 1.00 0.68 C ATOM 2927 C ILE B 80 -5.436 2.946 0.436 1.00 0.66 C ATOM 2928 O ILE B 80 -5.991 2.623 1.482 1.00 0.68 O ATOM 2929 CB ILE B 80 -5.726 1.096 -1.341 1.00 0.66 C ATOM 2930 CG1 ILE B 80 -4.326 0.694 -0.870 1.00 0.72 C ATOM 2931 CG2 ILE B 80 -5.870 0.839 -2.836 1.00 0.71 C ATOM 2932 CD1 ILE B 80 -3.844 -0.694 -1.286 1.00 0.58 C ATOM 0 H ILE B 80 -5.077 3.262 -2.666 1.00 0.68 H new ATOM 0 HA ILE B 80 -7.128 2.542 -0.821 1.00 0.68 H new ATOM 0 HB ILE B 80 -6.476 0.475 -0.850 1.00 0.66 H new ATOM 0 HG12 ILE B 80 -3.615 1.430 -1.245 1.00 0.72 H new ATOM 0 HG13 ILE B 80 -4.301 0.753 0.218 1.00 0.72 H new ATOM 0 HG21 ILE B 80 -5.631 -0.203 -3.051 1.00 0.71 H new ATOM 0 HG22 ILE B 80 -6.895 1.047 -3.144 1.00 0.71 H new ATOM 0 HG23 ILE B 80 -5.187 1.488 -3.384 1.00 0.71 H new ATOM 0 HD11 ILE B 80 -2.841 -0.864 -0.894 1.00 0.58 H new ATOM 0 HD12 ILE B 80 -4.522 -1.449 -0.888 1.00 0.58 H new ATOM 0 HD13 ILE B 80 -3.824 -0.762 -2.374 1.00 0.58 H new ATOM 2944 N GLY B 81 -4.294 3.642 0.418 1.00 0.66 N ATOM 2945 CA GLY B 81 -3.685 4.252 1.591 1.00 0.68 C ATOM 2946 C GLY B 81 -4.682 5.142 2.312 1.00 0.70 C ATOM 2947 O GLY B 81 -4.932 4.971 3.507 1.00 0.81 O ATOM 0 H GLY B 81 -3.759 3.797 -0.437 1.00 0.66 H new ATOM 0 HA2 GLY B 81 -3.328 3.475 2.267 1.00 0.68 H new ATOM 0 HA3 GLY B 81 -2.816 4.838 1.292 1.00 0.68 H new ATOM 2951 N GLU B 82 -5.283 6.068 1.565 1.00 0.64 N ATOM 2952 CA GLU B 82 -6.377 6.869 2.056 1.00 0.68 C ATOM 2953 C GLU B 82 -7.468 5.945 2.581 1.00 0.69 C ATOM 2954 O GLU B 82 -7.904 6.118 3.707 1.00 0.74 O ATOM 2955 CB GLU B 82 -6.894 7.823 0.975 1.00 0.79 C ATOM 2956 CG GLU B 82 -5.830 8.777 0.423 1.00 0.94 C ATOM 2957 CD GLU B 82 -4.876 9.266 1.494 1.00 2.30 C ATOM 2958 OE1 GLU B 82 -5.290 10.100 2.330 1.00 3.33 O ATOM 2959 OE2 GLU B 82 -3.688 8.885 1.450 1.00 3.68 O ATOM 0 H GLU B 82 -5.016 6.275 0.603 1.00 0.64 H new ATOM 0 HA GLU B 82 -6.032 7.499 2.876 1.00 0.68 H new ATOM 0 HB2 GLU B 82 -7.302 7.236 0.152 1.00 0.79 H new ATOM 0 HB3 GLU B 82 -7.715 8.410 1.386 1.00 0.79 H new ATOM 0 HG2 GLU B 82 -5.264 8.271 -0.359 1.00 0.94 H new ATOM 0 HG3 GLU B 82 -6.320 9.633 -0.041 1.00 0.94 H new ATOM 2966 N LEU B 83 -7.859 4.901 1.852 1.00 0.67 N ATOM 2967 CA LEU B 83 -8.879 4.013 2.394 1.00 0.66 C ATOM 2968 C LEU B 83 -8.516 3.409 3.761 1.00 0.71 C ATOM 2969 O LEU B 83 -9.356 3.408 4.662 1.00 0.75 O ATOM 2970 CB LEU B 83 -9.373 3.000 1.373 1.00 0.73 C ATOM 2971 CG LEU B 83 -10.323 3.705 0.392 1.00 1.40 C ATOM 2972 CD1 LEU B 83 -10.374 2.929 -0.913 1.00 2.45 C ATOM 2973 CD2 LEU B 83 -11.752 3.788 0.955 1.00 2.26 C ATOM 0 H LEU B 83 -7.504 4.658 0.927 1.00 0.67 H new ATOM 0 HA LEU B 83 -9.740 4.646 2.612 1.00 0.66 H new ATOM 0 HB2 LEU B 83 -8.530 2.565 0.835 1.00 0.73 H new ATOM 0 HB3 LEU B 83 -9.888 2.181 1.874 1.00 0.73 H new ATOM 0 HG LEU B 83 -9.943 4.714 0.232 1.00 1.40 H new ATOM 0 HD11 LEU B 83 -11.048 3.430 -1.608 1.00 2.45 H new ATOM 0 HD12 LEU B 83 -9.375 2.881 -1.347 1.00 2.45 H new ATOM 0 HD13 LEU B 83 -10.735 1.919 -0.722 1.00 2.45 H new ATOM 0 HD21 LEU B 83 -12.398 4.292 0.236 1.00 2.26 H new ATOM 0 HD22 LEU B 83 -12.130 2.782 1.139 1.00 2.26 H new ATOM 0 HD23 LEU B 83 -11.743 4.349 1.890 1.00 2.26 H new ATOM 2985 N ALA B 84 -7.273 2.949 3.964 1.00 0.72 N ATOM 2986 CA ALA B 84 -6.808 2.550 5.294 1.00 0.76 C ATOM 2987 C ALA B 84 -6.953 3.665 6.352 1.00 0.75 C ATOM 2988 O ALA B 84 -7.082 3.372 7.540 1.00 0.81 O ATOM 2989 CB ALA B 84 -5.358 2.061 5.209 1.00 0.83 C ATOM 0 H ALA B 84 -6.577 2.845 3.226 1.00 0.72 H new ATOM 0 HA ALA B 84 -7.452 1.737 5.629 1.00 0.76 H new ATOM 0 HB1 ALA B 84 -5.015 1.765 6.200 1.00 0.83 H new ATOM 0 HB2 ALA B 84 -5.301 1.206 4.535 1.00 0.83 H new ATOM 0 HB3 ALA B 84 -4.725 2.864 4.831 1.00 0.83 H new ATOM 2995 N LYS B 85 -6.900 4.938 5.949 1.00 0.79 N ATOM 2996 CA LYS B 85 -7.067 6.106 6.810 1.00 0.88 C ATOM 2997 C LYS B 85 -8.553 6.383 7.085 1.00 0.84 C ATOM 2998 O LYS B 85 -8.962 6.467 8.243 1.00 1.03 O ATOM 2999 CB LYS B 85 -6.313 7.278 6.165 1.00 1.19 C ATOM 3000 CG LYS B 85 -6.387 8.621 6.890 1.00 1.17 C ATOM 3001 CD LYS B 85 -5.753 8.670 8.281 1.00 2.79 C ATOM 3002 CE LYS B 85 -4.235 8.467 8.154 1.00 3.81 C ATOM 3003 NZ LYS B 85 -3.470 8.480 9.418 1.00 5.81 N ATOM 0 H LYS B 85 -6.733 5.190 4.975 1.00 0.79 H new ATOM 0 HA LYS B 85 -6.637 5.935 7.797 1.00 0.88 H new ATOM 0 HB2 LYS B 85 -5.264 6.998 6.072 1.00 1.19 H new ATOM 0 HB3 LYS B 85 -6.697 7.415 5.154 1.00 1.19 H new ATOM 0 HG2 LYS B 85 -5.905 9.374 6.267 1.00 1.17 H new ATOM 0 HG3 LYS B 85 -7.435 8.905 6.981 1.00 1.17 H new ATOM 0 HD2 LYS B 85 -5.965 9.628 8.756 1.00 2.79 H new ATOM 0 HD3 LYS B 85 -6.183 7.896 8.917 1.00 2.79 H new ATOM 0 HE2 LYS B 85 -4.057 7.515 7.655 1.00 3.81 H new ATOM 0 HE3 LYS B 85 -3.838 9.247 7.504 1.00 3.81 H new ATOM 0 HZ1 LYS B 85 -2.472 8.692 9.217 1.00 5.81 H new ATOM 0 HZ2 LYS B 85 -3.858 9.208 10.051 1.00 5.81 H new ATOM 0 HZ3 LYS B 85 -3.541 7.549 9.876 1.00 5.81 H new ATOM 3017 N GLU B 86 -9.334 6.550 6.015 1.00 0.70 N ATOM 3018 CA GLU B 86 -10.791 6.626 5.953 1.00 0.73 C ATOM 3019 C GLU B 86 -11.425 5.617 6.913 1.00 0.77 C ATOM 3020 O GLU B 86 -11.933 6.003 7.971 1.00 0.90 O ATOM 3021 CB GLU B 86 -11.194 6.330 4.507 1.00 0.74 C ATOM 3022 CG GLU B 86 -10.834 7.486 3.576 1.00 1.10 C ATOM 3023 CD GLU B 86 -11.036 7.150 2.106 1.00 1.62 C ATOM 3024 OE1 GLU B 86 -12.192 7.012 1.667 1.00 2.44 O ATOM 3025 OE2 GLU B 86 -10.049 7.072 1.344 1.00 2.63 O ATOM 0 H GLU B 86 -8.922 6.644 5.087 1.00 0.70 H new ATOM 0 HA GLU B 86 -11.140 7.614 6.254 1.00 0.73 H new ATOM 0 HB2 GLU B 86 -10.697 5.421 4.169 1.00 0.74 H new ATOM 0 HB3 GLU B 86 -12.267 6.143 4.458 1.00 0.74 H new ATOM 0 HG2 GLU B 86 -11.442 8.354 3.832 1.00 1.10 H new ATOM 0 HG3 GLU B 86 -9.793 7.766 3.739 1.00 1.10 H new ATOM 3032 N ILE B 87 -11.408 4.331 6.553 1.00 0.72 N ATOM 3033 CA ILE B 87 -11.997 3.305 7.389 1.00 0.77 C ATOM 3034 C ILE B 87 -10.972 2.945 8.464 1.00 0.83 C ATOM 3035 O ILE B 87 -10.016 2.205 8.236 1.00 0.84 O ATOM 3036 CB ILE B 87 -12.559 2.127 6.561 1.00 0.83 C ATOM 3037 CG1 ILE B 87 -13.722 1.430 7.292 1.00 1.22 C ATOM 3038 CG2 ILE B 87 -11.542 1.081 6.083 1.00 1.09 C ATOM 3039 CD1 ILE B 87 -13.421 1.043 8.745 1.00 1.78 C ATOM 0 H ILE B 87 -10.992 3.985 5.688 1.00 0.72 H new ATOM 0 HA ILE B 87 -12.889 3.667 7.901 1.00 0.77 H new ATOM 0 HB ILE B 87 -12.912 2.611 5.651 1.00 0.83 H new ATOM 0 HG12 ILE B 87 -14.590 2.089 7.278 1.00 1.22 H new ATOM 0 HG13 ILE B 87 -13.995 0.531 6.739 1.00 1.22 H new ATOM 0 HG21 ILE B 87 -12.057 0.307 5.514 1.00 1.09 H new ATOM 0 HG22 ILE B 87 -10.796 1.561 5.450 1.00 1.09 H new ATOM 0 HG23 ILE B 87 -11.050 0.631 6.945 1.00 1.09 H new ATOM 0 HD11 ILE B 87 -14.295 0.559 9.181 1.00 1.78 H new ATOM 0 HD12 ILE B 87 -12.575 0.357 8.771 1.00 1.78 H new ATOM 0 HD13 ILE B 87 -13.179 1.939 9.317 1.00 1.78 H new ATOM 3051 N ARG B 88 -11.197 3.449 9.679 1.00 1.05 N ATOM 3052 CA ARG B 88 -10.255 3.259 10.761 1.00 1.21 C ATOM 3053 C ARG B 88 -10.469 1.846 11.295 1.00 1.14 C ATOM 3054 O ARG B 88 -11.308 1.614 12.163 1.00 1.42 O ATOM 3055 CB ARG B 88 -10.490 4.300 11.864 1.00 1.54 C ATOM 3056 CG ARG B 88 -9.934 5.677 11.484 1.00 2.44 C ATOM 3057 CD ARG B 88 -10.211 6.673 12.621 1.00 2.70 C ATOM 3058 NE ARG B 88 -9.442 7.922 12.470 1.00 3.97 N ATOM 3059 CZ ARG B 88 -8.217 8.146 12.979 1.00 4.80 C ATOM 3060 NH1 ARG B 88 -7.521 7.138 13.515 1.00 5.16 N ATOM 3061 NH2 ARG B 88 -7.698 9.378 12.953 1.00 6.04 N ATOM 0 H ARG B 88 -12.025 3.990 9.929 1.00 1.05 H new ATOM 0 HA ARG B 88 -9.230 3.386 10.413 1.00 1.21 H new ATOM 0 HB2 ARG B 88 -11.559 4.383 12.062 1.00 1.54 H new ATOM 0 HB3 ARG B 88 -10.020 3.962 12.787 1.00 1.54 H new ATOM 0 HG2 ARG B 88 -8.862 5.610 11.298 1.00 2.44 H new ATOM 0 HG3 ARG B 88 -10.396 6.025 10.560 1.00 2.44 H new ATOM 0 HD2 ARG B 88 -11.276 6.905 12.646 1.00 2.70 H new ATOM 0 HD3 ARG B 88 -9.963 6.209 13.576 1.00 2.70 H new ATOM 0 HE ARG B 88 -9.874 8.677 11.937 1.00 3.97 H new ATOM 0 HH11 ARG B 88 -7.919 6.199 13.538 1.00 5.16 H new ATOM 0 HH12 ARG B 88 -6.592 7.308 13.901 1.00 5.16 H new ATOM 0 HH21 ARG B 88 -8.231 10.147 12.547 1.00 6.04 H new ATOM 0 HH22 ARG B 88 -6.769 9.548 13.339 1.00 6.04 H new ATOM 3075 N LYS B 89 -9.672 0.920 10.754 1.00 1.07 N ATOM 3076 CA LYS B 89 -9.547 -0.475 11.161 1.00 1.14 C ATOM 3077 C LYS B 89 -9.579 -0.666 12.691 1.00 1.42 C ATOM 3078 O LYS B 89 -10.057 -1.693 13.170 1.00 1.45 O ATOM 3079 CB LYS B 89 -8.248 -1.047 10.559 1.00 1.88 C ATOM 3080 CG LYS B 89 -8.454 -1.919 9.311 1.00 1.33 C ATOM 3081 CD LYS B 89 -8.663 -1.242 7.940 1.00 1.50 C ATOM 3082 CE LYS B 89 -9.137 -2.337 6.953 1.00 2.33 C ATOM 3083 NZ LYS B 89 -9.154 -1.975 5.518 1.00 3.26 N ATOM 0 H LYS B 89 -9.059 1.143 9.970 1.00 1.07 H new ATOM 0 HA LYS B 89 -10.413 -1.018 10.782 1.00 1.14 H new ATOM 0 HB2 LYS B 89 -7.586 -0.220 10.303 1.00 1.88 H new ATOM 0 HB3 LYS B 89 -7.740 -1.639 11.320 1.00 1.88 H new ATOM 0 HG2 LYS B 89 -7.588 -2.575 9.223 1.00 1.33 H new ATOM 0 HG3 LYS B 89 -9.319 -2.556 9.496 1.00 1.33 H new ATOM 0 HD2 LYS B 89 -9.403 -0.445 8.014 1.00 1.50 H new ATOM 0 HD3 LYS B 89 -7.736 -0.786 7.592 1.00 1.50 H new ATOM 0 HE2 LYS B 89 -8.494 -3.208 7.077 1.00 2.33 H new ATOM 0 HE3 LYS B 89 -10.144 -2.641 7.239 1.00 2.33 H new ATOM 0 HZ1 LYS B 89 -9.958 -2.442 5.052 1.00 3.26 H new ATOM 0 HZ2 LYS B 89 -9.249 -0.944 5.421 1.00 3.26 H new ATOM 0 HZ3 LYS B 89 -8.267 -2.285 5.071 1.00 3.26 H new ATOM 3097 N LYS B 90 -9.061 0.303 13.457 1.00 1.90 N ATOM 3098 CA LYS B 90 -9.161 0.398 14.914 1.00 2.70 C ATOM 3099 C LYS B 90 -8.159 -0.537 15.600 1.00 1.83 C ATOM 3100 O LYS B 90 -7.365 -0.087 16.423 1.00 2.20 O ATOM 3101 CB LYS B 90 -10.614 0.217 15.397 1.00 4.26 C ATOM 3102 CG LYS B 90 -10.853 0.859 16.771 1.00 5.42 C ATOM 3103 CD LYS B 90 -12.341 0.785 17.148 1.00 7.19 C ATOM 3104 CE LYS B 90 -12.606 1.508 18.480 1.00 8.38 C ATOM 3105 NZ LYS B 90 -14.040 1.513 18.849 1.00 9.95 N ATOM 0 H LYS B 90 -8.535 1.079 13.055 1.00 1.90 H new ATOM 0 HA LYS B 90 -8.880 1.408 15.213 1.00 2.70 H new ATOM 0 HB2 LYS B 90 -11.295 0.658 14.669 1.00 4.26 H new ATOM 0 HB3 LYS B 90 -10.848 -0.846 15.449 1.00 4.26 H new ATOM 0 HG2 LYS B 90 -10.255 0.349 17.526 1.00 5.42 H new ATOM 0 HG3 LYS B 90 -10.527 1.899 16.755 1.00 5.42 H new ATOM 0 HD2 LYS B 90 -12.943 1.235 16.359 1.00 7.19 H new ATOM 0 HD3 LYS B 90 -12.649 -0.258 17.228 1.00 7.19 H new ATOM 0 HE2 LYS B 90 -12.033 1.026 19.272 1.00 8.38 H new ATOM 0 HE3 LYS B 90 -12.249 2.535 18.409 1.00 8.38 H new ATOM 0 HZ1 LYS B 90 -14.164 2.012 19.753 1.00 9.95 H new ATOM 0 HZ2 LYS B 90 -14.587 1.997 18.109 1.00 9.95 H new ATOM 0 HZ3 LYS B 90 -14.377 0.534 18.945 1.00 9.95 H new ATOM 3119 N LYS B 91 -8.172 -1.819 15.233 1.00 1.65 N ATOM 3120 CA LYS B 91 -6.984 -2.662 15.269 1.00 2.72 C ATOM 3121 C LYS B 91 -6.981 -3.518 14.004 1.00 3.43 C ATOM 3122 O LYS B 91 -6.123 -3.344 13.142 1.00 4.59 O ATOM 3123 CB LYS B 91 -6.946 -3.551 16.526 1.00 3.87 C ATOM 3124 CG LYS B 91 -6.409 -2.839 17.778 1.00 4.58 C ATOM 3125 CD LYS B 91 -7.518 -2.407 18.746 1.00 4.69 C ATOM 3126 CE LYS B 91 -6.883 -1.681 19.944 1.00 5.79 C ATOM 3127 NZ LYS B 91 -7.873 -1.321 20.980 1.00 6.22 N ATOM 0 H LYS B 91 -9.009 -2.299 14.903 1.00 1.65 H new ATOM 0 HA LYS B 91 -6.095 -2.032 15.310 1.00 2.72 H new ATOM 0 HB2 LYS B 91 -7.952 -3.916 16.731 1.00 3.87 H new ATOM 0 HB3 LYS B 91 -6.326 -4.424 16.323 1.00 3.87 H new ATOM 0 HG2 LYS B 91 -5.719 -3.503 18.298 1.00 4.58 H new ATOM 0 HG3 LYS B 91 -5.839 -1.962 17.473 1.00 4.58 H new ATOM 0 HD2 LYS B 91 -8.225 -1.750 18.239 1.00 4.69 H new ATOM 0 HD3 LYS B 91 -8.079 -3.277 19.087 1.00 4.69 H new ATOM 0 HE2 LYS B 91 -6.116 -2.318 20.385 1.00 5.79 H new ATOM 0 HE3 LYS B 91 -6.384 -0.777 19.594 1.00 5.79 H new ATOM 0 HZ1 LYS B 91 -7.394 -0.835 21.764 1.00 6.22 H new ATOM 0 HZ2 LYS B 91 -8.592 -0.691 20.570 1.00 6.22 H new ATOM 0 HZ3 LYS B 91 -8.332 -2.184 21.336 1.00 6.22 H new ATOM 3141 N ASP B 92 -8.000 -4.369 13.863 1.00 3.25 N ATOM 3142 CA ASP B 92 -8.125 -5.331 12.789 1.00 4.18 C ATOM 3143 C ASP B 92 -9.612 -5.431 12.475 1.00 2.75 C ATOM 3144 O ASP B 92 -10.392 -5.987 13.250 1.00 3.00 O ATOM 3145 CB ASP B 92 -7.556 -6.705 13.187 1.00 6.11 C ATOM 3146 CG ASP B 92 -6.030 -6.770 13.170 1.00 7.97 C ATOM 3147 OD1 ASP B 92 -5.433 -6.304 14.161 1.00 8.60 O ATOM 3148 OD2 ASP B 92 -5.489 -7.334 12.187 1.00 9.07 O ATOM 0 H ASP B 92 -8.780 -4.401 14.519 1.00 3.25 H new ATOM 0 HA ASP B 92 -7.554 -5.009 11.918 1.00 4.18 H new ATOM 0 HB2 ASP B 92 -7.910 -6.958 14.186 1.00 6.11 H new ATOM 0 HB3 ASP B 92 -7.950 -7.461 12.508 1.00 6.11 H new ATOM 3153 N LEU B 93 -9.981 -4.925 11.300 1.00 2.05 N ATOM 3154 CA LEU B 93 -11.263 -5.130 10.634 1.00 1.27 C ATOM 3155 C LEU B 93 -11.808 -6.552 10.746 1.00 0.93 C ATOM 3156 O LEU B 93 -13.012 -6.758 10.634 1.00 0.88 O ATOM 3157 CB LEU B 93 -11.219 -4.724 9.149 1.00 2.48 C ATOM 3158 CG LEU B 93 -10.218 -5.448 8.217 1.00 2.34 C ATOM 3159 CD1 LEU B 93 -8.803 -5.564 8.790 1.00 2.25 C ATOM 3160 CD2 LEU B 93 -10.705 -6.807 7.701 1.00 3.38 C ATOM 0 H LEU B 93 -9.357 -4.327 10.758 1.00 2.05 H new ATOM 0 HA LEU B 93 -11.947 -4.475 11.174 1.00 1.27 H new ATOM 0 HB2 LEU B 93 -12.218 -4.865 8.737 1.00 2.48 H new ATOM 0 HB3 LEU B 93 -11.003 -3.657 9.103 1.00 2.48 H new ATOM 0 HG LEU B 93 -10.164 -4.782 7.355 1.00 2.34 H new ATOM 0 HD11 LEU B 93 -8.163 -6.083 8.077 1.00 2.25 H new ATOM 0 HD12 LEU B 93 -8.403 -4.567 8.977 1.00 2.25 H new ATOM 0 HD13 LEU B 93 -8.834 -6.124 9.725 1.00 2.25 H new ATOM 0 HD21 LEU B 93 -9.944 -7.245 7.056 1.00 3.38 H new ATOM 0 HD22 LEU B 93 -10.892 -7.471 8.545 1.00 3.38 H new ATOM 0 HD23 LEU B 93 -11.627 -6.672 7.135 1.00 3.38 H new ATOM 3172 N LYS B 94 -10.929 -7.530 10.960 1.00 1.33 N ATOM 3173 CA LYS B 94 -11.271 -8.925 11.139 1.00 1.41 C ATOM 3174 C LYS B 94 -12.281 -9.131 12.271 1.00 1.70 C ATOM 3175 O LYS B 94 -13.045 -10.094 12.263 1.00 1.88 O ATOM 3176 CB LYS B 94 -9.975 -9.718 11.346 1.00 2.05 C ATOM 3177 CG LYS B 94 -9.117 -9.612 10.072 1.00 3.24 C ATOM 3178 CD LYS B 94 -8.021 -10.676 9.982 1.00 4.13 C ATOM 3179 CE LYS B 94 -6.825 -10.341 10.895 1.00 5.13 C ATOM 3180 NZ LYS B 94 -6.057 -9.169 10.421 1.00 6.65 N ATOM 0 H LYS B 94 -9.925 -7.358 11.014 1.00 1.33 H new ATOM 0 HA LYS B 94 -11.773 -9.296 10.246 1.00 1.41 H new ATOM 0 HB2 LYS B 94 -9.427 -9.327 12.203 1.00 2.05 H new ATOM 0 HB3 LYS B 94 -10.202 -10.762 11.562 1.00 2.05 H new ATOM 0 HG2 LYS B 94 -9.765 -9.695 9.200 1.00 3.24 H new ATOM 0 HG3 LYS B 94 -8.657 -8.624 10.035 1.00 3.24 H new ATOM 0 HD2 LYS B 94 -8.432 -11.646 10.262 1.00 4.13 H new ATOM 0 HD3 LYS B 94 -7.679 -10.760 8.950 1.00 4.13 H new ATOM 0 HE2 LYS B 94 -7.187 -10.149 11.905 1.00 5.13 H new ATOM 0 HE3 LYS B 94 -6.163 -11.205 10.952 1.00 5.13 H new ATOM 0 HZ1 LYS B 94 -5.605 -8.699 11.231 1.00 6.65 H new ATOM 0 HZ2 LYS B 94 -5.326 -9.481 9.750 1.00 6.65 H new ATOM 0 HZ3 LYS B 94 -6.699 -8.502 9.948 1.00 6.65 H new ATOM 3194 N ILE B 95 -12.330 -8.198 13.226 1.00 1.96 N ATOM 3195 CA ILE B 95 -13.338 -8.194 14.277 1.00 2.47 C ATOM 3196 C ILE B 95 -14.768 -8.068 13.709 1.00 2.44 C ATOM 3197 O ILE B 95 -15.720 -8.445 14.391 1.00 3.03 O ATOM 3198 CB ILE B 95 -12.987 -7.082 15.292 1.00 2.80 C ATOM 3199 CG1 ILE B 95 -11.653 -7.413 15.994 1.00 3.94 C ATOM 3200 CG2 ILE B 95 -14.090 -6.885 16.345 1.00 3.43 C ATOM 3201 CD1 ILE B 95 -11.044 -6.210 16.725 1.00 4.70 C ATOM 0 H ILE B 95 -11.668 -7.425 13.288 1.00 1.96 H new ATOM 0 HA ILE B 95 -13.330 -9.152 14.797 1.00 2.47 H new ATOM 0 HB ILE B 95 -12.894 -6.151 14.733 1.00 2.80 H new ATOM 0 HG12 ILE B 95 -11.815 -8.220 16.708 1.00 3.94 H new ATOM 0 HG13 ILE B 95 -10.941 -7.780 15.254 1.00 3.94 H new ATOM 0 HG21 ILE B 95 -13.797 -6.094 17.035 1.00 3.43 H new ATOM 0 HG22 ILE B 95 -15.021 -6.608 15.850 1.00 3.43 H new ATOM 0 HG23 ILE B 95 -14.235 -7.813 16.898 1.00 3.43 H new ATOM 0 HD11 ILE B 95 -10.108 -6.507 17.198 1.00 4.70 H new ATOM 0 HD12 ILE B 95 -10.851 -5.410 16.011 1.00 4.70 H new ATOM 0 HD13 ILE B 95 -11.739 -5.857 17.487 1.00 4.70 H new ATOM 3213 N ARG B 96 -14.923 -7.553 12.481 1.00 1.96 N ATOM 3214 CA ARG B 96 -16.187 -7.211 11.828 1.00 2.28 C ATOM 3215 C ARG B 96 -16.814 -5.981 12.493 1.00 2.88 C ATOM 3216 O ARG B 96 -16.652 -5.784 13.697 1.00 4.32 O ATOM 3217 CB ARG B 96 -17.184 -8.381 11.812 1.00 2.83 C ATOM 3218 CG ARG B 96 -16.565 -9.738 11.444 1.00 3.37 C ATOM 3219 CD ARG B 96 -17.688 -10.768 11.290 1.00 3.69 C ATOM 3220 NE ARG B 96 -17.166 -12.136 11.133 1.00 4.79 N ATOM 3221 CZ ARG B 96 -17.924 -13.242 11.114 1.00 5.48 C ATOM 3222 NH1 ARG B 96 -19.256 -13.148 11.175 1.00 5.09 N ATOM 3223 NH2 ARG B 96 -17.332 -14.435 11.032 1.00 7.06 N ATOM 0 H ARG B 96 -14.120 -7.354 11.885 1.00 1.96 H new ATOM 0 HA ARG B 96 -15.955 -6.981 10.788 1.00 2.28 H new ATOM 0 HB2 ARG B 96 -17.647 -8.461 12.796 1.00 2.83 H new ATOM 0 HB3 ARG B 96 -17.980 -8.154 11.103 1.00 2.83 H new ATOM 0 HG2 ARG B 96 -15.999 -9.655 10.516 1.00 3.37 H new ATOM 0 HG3 ARG B 96 -15.865 -10.056 12.217 1.00 3.37 H new ATOM 0 HD2 ARG B 96 -18.340 -10.727 12.163 1.00 3.69 H new ATOM 0 HD3 ARG B 96 -18.299 -10.512 10.424 1.00 3.69 H new ATOM 0 HE ARG B 96 -16.157 -12.250 11.032 1.00 4.79 H new ATOM 0 HH11 ARG B 96 -19.700 -12.232 11.236 1.00 5.09 H new ATOM 0 HH12 ARG B 96 -19.828 -13.992 11.160 1.00 5.09 H new ATOM 0 HH21 ARG B 96 -16.315 -14.498 10.985 1.00 7.06 H new ATOM 0 HH22 ARG B 96 -17.896 -15.284 11.017 1.00 7.06 H new