USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 961 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 56 LYS NZ :NH3+ 180:sc=-0.000255 (180deg=0) USER MOD Set 1.2: A 60 LYS NZ :NH3+ -162:sc= -3.64! (180deg=-4.31!) USER MOD Set 2.1: A 41 LYS NZ :NH3+ -139:sc= -23.1! (180deg=-24.4!) USER MOD Set 2.2: A 44 ASN : amide:sc= -55! C(o=-78!,f=-75!) USER MOD Set 3.1: A 35 ASN : amide:sc= -64.6! C(o=-1.9e+02!,f=-2e+02!) USER MOD Set 3.2: A 38 HIS : no HD1:sc= -72.4! C(o=-1.9e+02!,f=-2e+02!) USER MOD Set 3.3: A 74 GLN : amide:sc= -50.7! C(o=-1.9e+02!,f=-1.9e+02!) USER MOD Set 4.1: A 2 SER OG : rot 21:sc= 0.923 USER MOD Set 4.2: A 6 TYR OH : rot 124:sc= -0.39! USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= -0.897 K(o=-0.9,f=-0.092) USER MOD Single : A 7 SER OG : rot -126:sc= -17.1! USER MOD Single : A 10 TYR OH : rot -59:sc= -6.87! USER MOD Single : A 11 SER OG : rot 45:sc= 0.172 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -43.9! C(o=-44!,f=-38!) USER MOD Single : A 21 SER OG : rot 68:sc= -12.2! USER MOD Single : A 22 THR OG1 : rot -96:sc= -6.06! USER MOD Single : A 24 SER OG : rot -103:sc= 1.34 USER MOD Single : A 26 MET CE :methyl -167:sc= -42.3! (180deg=-42.9!) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= -0.22 (180deg=-0.571) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00128 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= -1.69! (180deg=-2.21!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 80:sc= 0.178 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.000341 USER MOD Single : A 63 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -10.5! C(o=-11!,f=-5.4!) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= -9.79! (180deg=-9.86!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -160:sc= 0.0135 USER MOD Single : A 81 ASN : amide:sc= -13.3! C(o=-13!,f=-30!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.651 K(o=-0.65,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 137:sc= -0.297 (180deg=-1.99!) USER MOD Single : A 91 SER OG : rot -129:sc= -5.74! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.8! C(o=-1.8!,f=-5!) USER MOD Single : A 97 LYS NZ :NH3+ -179:sc= -2.44! (180deg=-2.49!) USER MOD Single : A 103 THR OG1 : rot 107:sc= -9.21! USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 138:sc= 0.846 USER MOD Single : A 108 SER OG : rot -96:sc= 0.107 USER MOD Single : A 110 SER OG : rot -90:sc= -6.12! USER MOD Single : A 116 LYS NZ :NH3+ -177:sc= -2.22! (180deg=-2.64!) USER MOD Single : A 117 HIS : no HD1:sc= -6.1! C(o=-6.1!,f=-3.8!) USER MOD Single : A 118 HIS : no HD1:sc= -6.5! C(o=-6.5!,f=-2.6!) USER MOD Single : A 119 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.15) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -161:sc= 0.0226 (180deg=0.000222) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 1.109 -5.718 7.787 1.00 1.00 N ATOM 2 CA SER A 2 0.128 -6.741 8.250 1.00 1.00 C ATOM 3 C SER A 2 -1.255 -6.107 8.424 1.00 1.00 C ATOM 4 O SER A 2 -2.115 -6.224 7.573 1.00 1.00 O ATOM 5 CB SER A 2 0.668 -7.228 9.593 1.00 1.00 C ATOM 6 OG SER A 2 1.907 -6.585 9.862 1.00 1.00 O ATOM 0 HA SER A 2 0.015 -7.557 7.537 1.00 1.00 H new ATOM 0 HB2 SER A 2 -0.047 -7.011 10.386 1.00 1.00 H new ATOM 0 HB3 SER A 2 0.803 -8.309 9.573 1.00 1.00 H new ATOM 0 HG SER A 2 1.974 -5.767 9.326 1.00 1.00 H new ATOM 12 N ASN A 3 -1.476 -5.434 9.520 1.00 1.00 N ATOM 13 CA ASN A 3 -2.803 -4.794 9.747 1.00 1.00 C ATOM 14 C ASN A 3 -2.844 -3.414 9.086 1.00 1.00 C ATOM 15 O ASN A 3 -3.890 -2.929 8.704 1.00 1.00 O ATOM 16 CB ASN A 3 -2.925 -4.664 11.267 1.00 1.00 C ATOM 17 CG ASN A 3 -3.835 -5.772 11.801 1.00 1.00 C ATOM 18 OD1 ASN A 3 -3.454 -6.926 11.832 1.00 1.00 O ATOM 19 ND2 ASN A 3 -5.031 -5.469 12.227 1.00 1.00 N ATOM 0 H ASN A 3 -0.795 -5.300 10.268 1.00 1.00 H new ATOM 0 HA ASN A 3 -3.620 -5.375 9.320 1.00 1.00 H new ATOM 0 HB2 ASN A 3 -1.940 -4.733 11.729 1.00 1.00 H new ATOM 0 HB3 ASN A 3 -3.332 -3.687 11.528 1.00 1.00 H new ATOM 0 HD21 ASN A 3 -5.645 -6.200 12.586 1.00 1.00 H new ATOM 0 HD22 ASN A 3 -5.351 -4.501 12.201 1.00 1.00 H new ATOM 26 N GLN A 4 -1.713 -2.778 8.946 1.00 1.00 N ATOM 27 CA GLN A 4 -1.688 -1.430 8.308 1.00 1.00 C ATOM 28 C GLN A 4 -2.179 -1.521 6.862 1.00 1.00 C ATOM 29 O GLN A 4 -2.586 -2.569 6.398 1.00 1.00 O ATOM 30 CB GLN A 4 -0.223 -0.998 8.351 1.00 1.00 C ATOM 31 CG GLN A 4 -0.140 0.499 8.658 1.00 1.00 C ATOM 32 CD GLN A 4 -0.402 0.729 10.148 1.00 1.00 C ATOM 33 OE1 GLN A 4 -1.111 1.643 10.518 1.00 1.00 O ATOM 34 NE2 GLN A 4 0.144 -0.070 11.024 1.00 1.00 N ATOM 0 H GLN A 4 -0.805 -3.133 9.246 1.00 1.00 H new ATOM 0 HA GLN A 4 -2.337 -0.719 8.819 1.00 1.00 H new ATOM 0 HB2 GLN A 4 0.312 -1.566 9.112 1.00 1.00 H new ATOM 0 HB3 GLN A 4 0.258 -1.211 7.396 1.00 1.00 H new ATOM 0 HG2 GLN A 4 0.844 0.883 8.387 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -0.870 1.045 8.061 1.00 1.00 H new ATOM 0 HE21 GLN A 4 0.739 -0.838 10.713 1.00 1.00 H new ATOM 0 HE22 GLN A 4 -0.025 0.073 12.020 1.00 1.00 H new ATOM 43 N ILE A 5 -2.146 -0.431 6.144 1.00 1.00 N ATOM 44 CA ILE A 5 -2.613 -0.455 4.729 1.00 1.00 C ATOM 45 C ILE A 5 -1.416 -0.402 3.774 1.00 1.00 C ATOM 46 O ILE A 5 -0.981 0.657 3.369 1.00 1.00 O ATOM 47 CB ILE A 5 -3.476 0.797 4.577 1.00 1.00 C ATOM 48 CG1 ILE A 5 -4.824 0.416 3.962 1.00 1.00 C ATOM 49 CG2 ILE A 5 -2.766 1.800 3.666 1.00 1.00 C ATOM 50 CD1 ILE A 5 -5.296 1.536 3.033 1.00 1.00 C ATOM 0 H ILE A 5 -1.816 0.475 6.477 1.00 1.00 H new ATOM 0 HA ILE A 5 -3.166 -1.364 4.492 1.00 1.00 H new ATOM 0 HB ILE A 5 -3.637 1.247 5.557 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -4.731 -0.517 3.406 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -5.560 0.247 4.748 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -3.382 2.693 3.558 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -1.806 2.073 4.104 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -2.604 1.350 2.686 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -6.256 1.265 2.595 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -5.405 2.459 3.602 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -4.564 1.683 2.239 1.00 1.00 H new ATOM 62 N TYR A 6 -0.881 -1.537 3.413 1.00 1.00 N ATOM 63 CA TYR A 6 0.286 -1.550 2.483 1.00 1.00 C ATOM 64 C TYR A 6 -0.076 -0.857 1.167 1.00 1.00 C ATOM 65 O TYR A 6 -1.232 -0.755 0.806 1.00 1.00 O ATOM 66 CB TYR A 6 0.586 -3.030 2.244 1.00 1.00 C ATOM 67 CG TYR A 6 1.261 -3.610 3.464 1.00 1.00 C ATOM 68 CD1 TYR A 6 2.159 -2.831 4.203 1.00 1.00 C ATOM 69 CD2 TYR A 6 0.986 -4.925 3.857 1.00 1.00 C ATOM 70 CE1 TYR A 6 2.784 -3.369 5.335 1.00 1.00 C ATOM 71 CE2 TYR A 6 1.612 -5.462 4.989 1.00 1.00 C ATOM 72 CZ TYR A 6 2.511 -4.684 5.727 1.00 1.00 C ATOM 73 OH TYR A 6 3.127 -5.213 6.843 1.00 1.00 O ATOM 0 H TYR A 6 -1.201 -2.455 3.721 1.00 1.00 H new ATOM 0 HA TYR A 6 1.146 -1.020 2.894 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -0.337 -3.570 2.035 1.00 1.00 H new ATOM 0 HB3 TYR A 6 1.228 -3.146 1.371 1.00 1.00 H new ATOM 0 HD1 TYR A 6 2.370 -1.816 3.900 1.00 1.00 H new ATOM 0 HD2 TYR A 6 0.292 -5.525 3.288 1.00 1.00 H new ATOM 0 HE1 TYR A 6 3.477 -2.769 5.906 1.00 1.00 H new ATOM 0 HE2 TYR A 6 1.401 -6.477 5.292 1.00 1.00 H new ATOM 0 HH TYR A 6 2.447 -5.533 7.472 1.00 1.00 H new ATOM 83 N SER A 7 0.902 -0.378 0.448 1.00 1.00 N ATOM 84 CA SER A 7 0.610 0.308 -0.843 1.00 1.00 C ATOM 85 C SER A 7 1.204 -0.482 -2.013 1.00 1.00 C ATOM 86 O SER A 7 2.235 -1.113 -1.889 1.00 1.00 O ATOM 87 CB SER A 7 1.286 1.673 -0.725 1.00 1.00 C ATOM 88 OG SER A 7 0.423 2.565 -0.032 1.00 1.00 O ATOM 0 H SER A 7 1.889 -0.432 0.698 1.00 1.00 H new ATOM 0 HA SER A 7 -0.460 0.394 -1.030 1.00 1.00 H new ATOM 0 HB2 SER A 7 2.233 1.578 -0.194 1.00 1.00 H new ATOM 0 HB3 SER A 7 1.514 2.066 -1.716 1.00 1.00 H new ATOM 0 HG SER A 7 0.289 3.374 -0.569 1.00 1.00 H new ATOM 94 N ALA A 8 0.560 -0.452 -3.148 1.00 1.00 N ATOM 95 CA ALA A 8 1.086 -1.199 -4.327 1.00 1.00 C ATOM 96 C ALA A 8 0.719 -0.466 -5.620 1.00 1.00 C ATOM 97 O ALA A 8 -0.223 0.300 -5.663 1.00 1.00 O ATOM 98 CB ALA A 8 0.401 -2.564 -4.269 1.00 1.00 C ATOM 0 H ALA A 8 -0.308 0.058 -3.310 1.00 1.00 H new ATOM 0 HA ALA A 8 2.172 -1.289 -4.310 1.00 1.00 H new ATOM 0 HB1 ALA A 8 0.737 -3.175 -5.107 1.00 1.00 H new ATOM 0 HB2 ALA A 8 0.656 -3.060 -3.332 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -0.679 -2.432 -4.326 1.00 1.00 H new ATOM 104 N ARG A 9 1.454 -0.693 -6.674 1.00 1.00 N ATOM 105 CA ARG A 9 1.140 -0.006 -7.960 1.00 1.00 C ATOM 106 C ARG A 9 1.447 -0.927 -9.145 1.00 1.00 C ATOM 107 O ARG A 9 2.565 -1.362 -9.333 1.00 1.00 O ATOM 108 CB ARG A 9 2.051 1.223 -7.985 1.00 1.00 C ATOM 109 CG ARG A 9 3.324 0.900 -8.770 1.00 1.00 C ATOM 110 CD ARG A 9 3.105 1.213 -10.252 1.00 1.00 C ATOM 111 NE ARG A 9 4.244 2.094 -10.631 1.00 1.00 N ATOM 112 CZ ARG A 9 4.071 3.044 -11.509 1.00 1.00 C ATOM 113 NH1 ARG A 9 2.899 3.221 -12.055 1.00 1.00 N ATOM 114 NH2 ARG A 9 5.070 3.815 -11.841 1.00 1.00 N ATOM 0 H ARG A 9 2.256 -1.322 -6.701 1.00 1.00 H new ATOM 0 HA ARG A 9 0.087 0.265 -8.036 1.00 1.00 H new ATOM 0 HB2 ARG A 9 1.532 2.064 -8.444 1.00 1.00 H new ATOM 0 HB3 ARG A 9 2.304 1.522 -6.968 1.00 1.00 H new ATOM 0 HG2 ARG A 9 4.160 1.484 -8.384 1.00 1.00 H new ATOM 0 HG3 ARG A 9 3.584 -0.151 -8.644 1.00 1.00 H new ATOM 0 HD2 ARG A 9 3.094 0.302 -10.851 1.00 1.00 H new ATOM 0 HD3 ARG A 9 2.149 1.712 -10.413 1.00 1.00 H new ATOM 0 HE ARG A 9 5.160 1.955 -10.204 1.00 1.00 H new ATOM 0 HH11 ARG A 9 2.119 2.617 -11.795 1.00 1.00 H new ATOM 0 HH12 ARG A 9 2.763 3.963 -12.741 1.00 1.00 H new ATOM 0 HH21 ARG A 9 5.986 3.675 -11.414 1.00 1.00 H new ATOM 0 HH22 ARG A 9 4.935 4.558 -12.527 1.00 1.00 H new ATOM 127 N TYR A 10 0.460 -1.227 -9.944 1.00 1.00 N ATOM 128 CA TYR A 10 0.692 -2.120 -11.115 1.00 1.00 C ATOM 129 C TYR A 10 -0.176 -1.683 -12.299 1.00 1.00 C ATOM 130 O TYR A 10 -1.022 -0.820 -12.178 1.00 1.00 O ATOM 131 CB TYR A 10 0.286 -3.514 -10.636 1.00 1.00 C ATOM 132 CG TYR A 10 -1.029 -3.430 -9.899 1.00 1.00 C ATOM 133 CD1 TYR A 10 -1.957 -2.436 -10.234 1.00 1.00 C ATOM 134 CD2 TYR A 10 -1.318 -4.344 -8.880 1.00 1.00 C ATOM 135 CE1 TYR A 10 -3.176 -2.358 -9.550 1.00 1.00 C ATOM 136 CE2 TYR A 10 -2.538 -4.266 -8.195 1.00 1.00 C ATOM 137 CZ TYR A 10 -3.467 -3.273 -8.531 1.00 1.00 C ATOM 138 OH TYR A 10 -4.668 -3.197 -7.857 1.00 1.00 O ATOM 0 H TYR A 10 -0.498 -0.892 -9.837 1.00 1.00 H new ATOM 0 HA TYR A 10 1.727 -2.091 -11.456 1.00 1.00 H new ATOM 0 HB2 TYR A 10 0.196 -4.190 -11.486 1.00 1.00 H new ATOM 0 HB3 TYR A 10 1.056 -3.924 -9.982 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -1.732 -1.730 -11.020 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -0.601 -5.109 -8.621 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -3.892 -1.592 -9.808 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -2.762 -4.971 -7.408 1.00 1.00 H new ATOM 0 HH TYR A 10 -4.749 -2.318 -7.431 1.00 1.00 H new ATOM 148 N SER A 11 0.027 -2.280 -13.442 1.00 1.00 N ATOM 149 CA SER A 11 -0.786 -1.910 -14.637 1.00 1.00 C ATOM 150 C SER A 11 -0.649 -0.415 -14.947 1.00 1.00 C ATOM 151 O SER A 11 -1.598 0.235 -15.340 1.00 1.00 O ATOM 152 CB SER A 11 -2.225 -2.248 -14.252 1.00 1.00 C ATOM 153 OG SER A 11 -3.047 -1.105 -14.455 1.00 1.00 O ATOM 0 H SER A 11 0.722 -3.009 -13.601 1.00 1.00 H new ATOM 0 HA SER A 11 -0.462 -2.442 -15.532 1.00 1.00 H new ATOM 0 HB2 SER A 11 -2.588 -3.082 -14.852 1.00 1.00 H new ATOM 0 HB3 SER A 11 -2.270 -2.562 -13.209 1.00 1.00 H new ATOM 0 HG SER A 11 -2.829 -0.694 -15.318 1.00 1.00 H new ATOM 159 N GLY A 12 0.526 0.132 -14.788 1.00 1.00 N ATOM 160 CA GLY A 12 0.724 1.580 -15.089 1.00 1.00 C ATOM 161 C GLY A 12 0.049 2.436 -14.016 1.00 1.00 C ATOM 162 O GLY A 12 0.226 3.637 -13.968 1.00 1.00 O ATOM 0 H GLY A 12 1.358 -0.361 -14.463 1.00 1.00 H new ATOM 0 HA2 GLY A 12 1.789 1.809 -15.131 1.00 1.00 H new ATOM 0 HA3 GLY A 12 0.308 1.816 -16.069 1.00 1.00 H new ATOM 166 N VAL A 13 -0.722 1.834 -13.155 1.00 1.00 N ATOM 167 CA VAL A 13 -1.403 2.624 -12.088 1.00 1.00 C ATOM 168 C VAL A 13 -1.050 2.060 -10.711 1.00 1.00 C ATOM 169 O VAL A 13 -1.126 0.869 -10.480 1.00 1.00 O ATOM 170 CB VAL A 13 -2.898 2.463 -12.367 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.688 2.739 -11.087 1.00 1.00 C ATOM 172 CG2 VAL A 13 -3.322 3.457 -13.450 1.00 1.00 C ATOM 0 H VAL A 13 -0.911 0.832 -13.142 1.00 1.00 H new ATOM 0 HA VAL A 13 -1.100 3.671 -12.091 1.00 1.00 H new ATOM 0 HB VAL A 13 -3.098 1.446 -12.706 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.754 2.624 -11.285 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -3.385 2.034 -10.313 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -3.489 3.756 -10.749 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -4.387 3.344 -13.651 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -3.123 4.473 -13.109 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.758 3.263 -14.363 1.00 1.00 H new ATOM 182 N ASP A 14 -0.655 2.902 -9.794 1.00 1.00 N ATOM 183 CA ASP A 14 -0.288 2.403 -8.439 1.00 1.00 C ATOM 184 C ASP A 14 -1.544 2.174 -7.595 1.00 1.00 C ATOM 185 O ASP A 14 -2.608 2.680 -7.893 1.00 1.00 O ATOM 186 CB ASP A 14 0.570 3.512 -7.829 1.00 1.00 C ATOM 187 CG ASP A 14 -0.281 4.352 -6.875 1.00 1.00 C ATOM 188 OD1 ASP A 14 -1.042 3.768 -6.122 1.00 1.00 O ATOM 189 OD2 ASP A 14 -0.157 5.565 -6.915 1.00 1.00 O ATOM 0 H ASP A 14 -0.571 3.910 -9.925 1.00 1.00 H new ATOM 0 HA ASP A 14 0.241 1.451 -8.482 1.00 1.00 H new ATOM 0 HB2 ASP A 14 1.415 3.079 -7.294 1.00 1.00 H new ATOM 0 HB3 ASP A 14 0.981 4.143 -8.617 1.00 1.00 H new ATOM 194 N VAL A 15 -1.426 1.409 -6.544 1.00 1.00 N ATOM 195 CA VAL A 15 -2.607 1.135 -5.678 1.00 1.00 C ATOM 196 C VAL A 15 -2.154 0.897 -4.235 1.00 1.00 C ATOM 197 O VAL A 15 -0.977 0.913 -3.935 1.00 1.00 O ATOM 198 CB VAL A 15 -3.240 -0.130 -6.257 1.00 1.00 C ATOM 199 CG1 VAL A 15 -3.797 0.169 -7.650 1.00 1.00 C ATOM 200 CG2 VAL A 15 -2.180 -1.229 -6.359 1.00 1.00 C ATOM 0 H VAL A 15 -0.559 0.961 -6.247 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.310 1.968 -5.660 1.00 1.00 H new ATOM 0 HB VAL A 15 -4.048 -0.462 -5.606 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -4.248 -0.733 -8.063 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -4.551 0.953 -7.580 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -2.989 0.501 -8.302 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -2.630 -2.132 -6.772 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -1.372 -0.896 -7.011 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -1.781 -1.443 -5.367 1.00 1.00 H new ATOM 210 N TYR A 16 -3.076 0.669 -3.341 1.00 1.00 N ATOM 211 CA TYR A 16 -2.694 0.419 -1.921 1.00 1.00 C ATOM 212 C TYR A 16 -3.077 -1.009 -1.529 1.00 1.00 C ATOM 213 O TYR A 16 -4.048 -1.553 -2.012 1.00 1.00 O ATOM 214 CB TYR A 16 -3.496 1.435 -1.108 1.00 1.00 C ATOM 215 CG TYR A 16 -3.661 2.706 -1.909 1.00 1.00 C ATOM 216 CD1 TYR A 16 -2.531 3.425 -2.320 1.00 1.00 C ATOM 217 CD2 TYR A 16 -4.941 3.164 -2.240 1.00 1.00 C ATOM 218 CE1 TYR A 16 -2.683 4.602 -3.062 1.00 1.00 C ATOM 219 CE2 TYR A 16 -5.093 4.341 -2.982 1.00 1.00 C ATOM 220 CZ TYR A 16 -3.964 5.060 -3.392 1.00 1.00 C ATOM 221 OH TYR A 16 -4.114 6.221 -4.124 1.00 1.00 O ATOM 0 H TYR A 16 -4.078 0.645 -3.532 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.623 0.524 -1.751 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.473 1.023 -0.854 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -2.986 1.648 -0.169 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -1.543 3.071 -2.064 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -5.812 2.609 -1.923 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -1.812 5.157 -3.380 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -6.081 4.694 -3.238 1.00 1.00 H new ATOM 0 HH TYR A 16 -5.067 6.396 -4.267 1.00 1.00 H new ATOM 231 N GLU A 17 -2.323 -1.626 -0.661 1.00 1.00 N ATOM 232 CA GLU A 17 -2.655 -3.021 -0.253 1.00 1.00 C ATOM 233 C GLU A 17 -2.907 -3.094 1.253 1.00 1.00 C ATOM 234 O GLU A 17 -2.063 -2.741 2.053 1.00 1.00 O ATOM 235 CB GLU A 17 -1.424 -3.847 -0.630 1.00 1.00 C ATOM 236 CG GLU A 17 -0.793 -3.273 -1.900 1.00 1.00 C ATOM 237 CD GLU A 17 0.123 -4.321 -2.534 1.00 1.00 C ATOM 238 OE1 GLU A 17 -0.396 -5.249 -3.132 1.00 1.00 O ATOM 239 OE2 GLU A 17 1.328 -4.177 -2.412 1.00 1.00 O ATOM 0 H GLU A 17 -1.495 -1.227 -0.218 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.559 -3.386 -0.740 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -0.701 -3.835 0.186 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -1.706 -4.888 -0.790 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -1.571 -2.981 -2.605 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.224 -2.374 -1.662 1.00 1.00 H new ATOM 246 N PHE A 18 -4.063 -3.554 1.646 1.00 1.00 N ATOM 247 CA PHE A 18 -4.374 -3.657 3.100 1.00 1.00 C ATOM 248 C PHE A 18 -5.061 -4.994 3.394 1.00 1.00 C ATOM 249 O PHE A 18 -5.907 -5.443 2.647 1.00 1.00 O ATOM 250 CB PHE A 18 -5.321 -2.492 3.389 1.00 1.00 C ATOM 251 CG PHE A 18 -5.462 -1.639 2.151 1.00 1.00 C ATOM 252 CD1 PHE A 18 -4.320 -1.190 1.476 1.00 1.00 C ATOM 253 CD2 PHE A 18 -6.735 -1.295 1.680 1.00 1.00 C ATOM 254 CE1 PHE A 18 -4.452 -0.399 0.329 1.00 1.00 C ATOM 255 CE2 PHE A 18 -6.865 -0.503 0.532 1.00 1.00 C ATOM 256 CZ PHE A 18 -5.724 -0.054 -0.143 1.00 1.00 C ATOM 0 H PHE A 18 -4.807 -3.864 1.021 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.478 -3.613 3.720 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -6.296 -2.870 3.696 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.937 -1.893 4.215 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.338 -1.454 1.840 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -7.616 -1.640 2.201 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -3.571 -0.054 -0.193 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -7.847 -0.239 0.167 1.00 1.00 H new ATOM 0 HZ PHE A 18 -5.825 0.558 -1.027 1.00 1.00 H new ATOM 266 N ILE A 19 -4.704 -5.636 4.473 1.00 1.00 N ATOM 267 CA ILE A 19 -5.341 -6.942 4.805 1.00 1.00 C ATOM 268 C ILE A 19 -6.673 -6.715 5.521 1.00 1.00 C ATOM 269 O ILE A 19 -6.761 -5.959 6.467 1.00 1.00 O ATOM 270 CB ILE A 19 -4.347 -7.643 5.732 1.00 1.00 C ATOM 271 CG1 ILE A 19 -2.935 -7.519 5.151 1.00 1.00 C ATOM 272 CG2 ILE A 19 -4.717 -9.121 5.856 1.00 1.00 C ATOM 273 CD1 ILE A 19 -2.975 -7.803 3.648 1.00 1.00 C ATOM 0 H ILE A 19 -4.001 -5.314 5.137 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.557 -7.534 3.915 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.379 -7.177 6.717 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -2.542 -6.519 5.333 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -2.263 -8.220 5.647 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.008 -9.619 6.517 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -5.722 -9.211 6.268 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -4.685 -9.588 4.872 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -1.970 -7.715 3.234 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -3.350 -8.812 3.478 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -3.633 -7.084 3.159 1.00 1.00 H new ATOM 285 N HIS A 20 -7.710 -7.367 5.075 1.00 1.00 N ATOM 286 CA HIS A 20 -9.039 -7.192 5.729 1.00 1.00 C ATOM 287 C HIS A 20 -9.860 -8.477 5.605 1.00 1.00 C ATOM 288 O HIS A 20 -9.341 -9.569 5.727 1.00 1.00 O ATOM 289 CB HIS A 20 -9.710 -6.051 4.964 1.00 1.00 C ATOM 290 CG HIS A 20 -8.935 -4.780 5.177 1.00 1.00 C ATOM 291 ND1 HIS A 20 -9.490 -3.671 5.797 1.00 1.00 N ATOM 292 CD2 HIS A 20 -7.647 -4.426 4.858 1.00 1.00 C ATOM 293 CE1 HIS A 20 -8.546 -2.712 5.831 1.00 1.00 C ATOM 294 NE2 HIS A 20 -7.404 -3.120 5.271 1.00 1.00 N ATOM 0 H HIS A 20 -7.696 -8.014 4.286 1.00 1.00 H new ATOM 0 HA HIS A 20 -8.951 -6.972 6.793 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -9.755 -6.288 3.901 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.737 -5.925 5.306 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -6.931 -5.065 4.362 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -8.694 -1.732 6.259 1.00 1.00 H new ATOM 0 HE2 HIS A 20 -6.540 -2.588 5.168 1.00 1.00 H new ATOM 302 N SER A 21 -11.134 -8.358 5.358 1.00 1.00 N ATOM 303 CA SER A 21 -11.979 -9.578 5.221 1.00 1.00 C ATOM 304 C SER A 21 -11.513 -10.396 4.016 1.00 1.00 C ATOM 305 O SER A 21 -11.480 -11.611 4.051 1.00 1.00 O ATOM 306 CB SER A 21 -13.398 -9.055 5.000 1.00 1.00 C ATOM 307 OG SER A 21 -13.349 -7.900 4.172 1.00 1.00 O ATOM 0 H SER A 21 -11.626 -7.472 5.245 1.00 1.00 H new ATOM 0 HA SER A 21 -11.920 -10.228 6.094 1.00 1.00 H new ATOM 0 HB2 SER A 21 -14.013 -9.825 4.534 1.00 1.00 H new ATOM 0 HB3 SER A 21 -13.861 -8.812 5.956 1.00 1.00 H new ATOM 0 HG SER A 21 -13.066 -8.156 3.269 1.00 1.00 H new ATOM 313 N THR A 22 -11.141 -9.738 2.952 1.00 1.00 N ATOM 314 CA THR A 22 -10.662 -10.471 1.748 1.00 1.00 C ATOM 315 C THR A 22 -9.137 -10.548 1.771 1.00 1.00 C ATOM 316 O THR A 22 -8.503 -10.873 0.788 1.00 1.00 O ATOM 317 CB THR A 22 -11.144 -9.641 0.557 1.00 1.00 C ATOM 318 OG1 THR A 22 -12.251 -10.290 -0.053 1.00 1.00 O ATOM 319 CG2 THR A 22 -10.010 -9.497 -0.459 1.00 1.00 C ATOM 0 H THR A 22 -11.149 -8.722 2.865 1.00 1.00 H new ATOM 0 HA THR A 22 -11.038 -11.493 1.701 1.00 1.00 H new ATOM 0 HB THR A 22 -11.447 -8.652 0.901 1.00 1.00 H new ATOM 0 HG1 THR A 22 -11.939 -10.826 -0.812 1.00 1.00 H new ATOM 0 HG21 THR A 22 -10.354 -8.905 -1.307 1.00 1.00 H new ATOM 0 HG22 THR A 22 -9.162 -8.999 0.011 1.00 1.00 H new ATOM 0 HG23 THR A 22 -9.704 -10.484 -0.805 1.00 1.00 H new ATOM 327 N GLY A 23 -8.543 -10.233 2.890 1.00 1.00 N ATOM 328 CA GLY A 23 -7.059 -10.267 2.981 1.00 1.00 C ATOM 329 C GLY A 23 -6.511 -8.877 2.661 1.00 1.00 C ATOM 330 O GLY A 23 -6.818 -7.911 3.329 1.00 1.00 O ATOM 0 H GLY A 23 -9.024 -9.953 3.745 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -6.750 -10.573 3.980 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -6.655 -11.001 2.284 1.00 1.00 H new ATOM 334 N SER A 24 -5.708 -8.766 1.640 1.00 1.00 N ATOM 335 CA SER A 24 -5.144 -7.434 1.275 1.00 1.00 C ATOM 336 C SER A 24 -6.081 -6.709 0.306 1.00 1.00 C ATOM 337 O SER A 24 -6.697 -7.315 -0.549 1.00 1.00 O ATOM 338 CB SER A 24 -3.809 -7.741 0.598 1.00 1.00 C ATOM 339 OG SER A 24 -3.712 -6.997 -0.609 1.00 1.00 O ATOM 0 H SER A 24 -5.417 -9.539 1.042 1.00 1.00 H new ATOM 0 HA SER A 24 -5.022 -6.786 2.143 1.00 1.00 H new ATOM 0 HB2 SER A 24 -2.984 -7.486 1.263 1.00 1.00 H new ATOM 0 HB3 SER A 24 -3.731 -8.808 0.388 1.00 1.00 H new ATOM 0 HG SER A 24 -3.893 -7.585 -1.371 1.00 1.00 H new ATOM 345 N ILE A 25 -6.193 -5.415 0.434 1.00 1.00 N ATOM 346 CA ILE A 25 -7.088 -4.650 -0.479 1.00 1.00 C ATOM 347 C ILE A 25 -6.263 -3.697 -1.347 1.00 1.00 C ATOM 348 O ILE A 25 -5.511 -2.882 -0.847 1.00 1.00 O ATOM 349 CB ILE A 25 -8.019 -3.866 0.443 1.00 1.00 C ATOM 350 CG1 ILE A 25 -8.988 -4.831 1.130 1.00 1.00 C ATOM 351 CG2 ILE A 25 -8.813 -2.848 -0.378 1.00 1.00 C ATOM 352 CD1 ILE A 25 -9.128 -4.451 2.605 1.00 1.00 C ATOM 0 H ILE A 25 -5.703 -4.855 1.132 1.00 1.00 H new ATOM 0 HA ILE A 25 -7.641 -5.300 -1.157 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.428 -3.345 1.196 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -9.961 -4.795 0.641 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -8.623 -5.854 1.040 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.478 -2.289 0.280 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.125 -2.160 -0.869 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.403 -3.369 -1.131 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -9.818 -5.138 3.094 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -8.153 -4.509 3.090 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -9.512 -3.434 2.684 1.00 1.00 H new ATOM 364 N MET A 26 -6.397 -3.790 -2.641 1.00 1.00 N ATOM 365 CA MET A 26 -5.619 -2.884 -3.534 1.00 1.00 C ATOM 366 C MET A 26 -6.542 -1.837 -4.165 1.00 1.00 C ATOM 367 O MET A 26 -7.535 -2.161 -4.785 1.00 1.00 O ATOM 368 CB MET A 26 -5.033 -3.800 -4.610 1.00 1.00 C ATOM 369 CG MET A 26 -3.703 -3.225 -5.100 1.00 1.00 C ATOM 370 SD MET A 26 -2.425 -4.504 -5.011 1.00 1.00 S ATOM 371 CE MET A 26 -1.144 -3.609 -5.925 1.00 1.00 C ATOM 0 H MET A 26 -7.009 -4.452 -3.118 1.00 1.00 H new ATOM 0 HA MET A 26 -4.845 -2.338 -2.995 1.00 1.00 H new ATOM 0 HB2 MET A 26 -4.882 -4.802 -4.207 1.00 1.00 H new ATOM 0 HB3 MET A 26 -5.730 -3.893 -5.443 1.00 1.00 H new ATOM 0 HG2 MET A 26 -3.804 -2.867 -6.125 1.00 1.00 H new ATOM 0 HG3 MET A 26 -3.418 -2.368 -4.490 1.00 1.00 H new ATOM 0 HE1 MET A 26 -0.341 -4.296 -6.193 1.00 1.00 H new ATOM 0 HE2 MET A 26 -1.574 -3.182 -6.831 1.00 1.00 H new ATOM 0 HE3 MET A 26 -0.744 -2.809 -5.302 1.00 1.00 H new ATOM 381 N LYS A 27 -6.222 -0.581 -4.004 1.00 1.00 N ATOM 382 CA LYS A 27 -7.080 0.491 -4.586 1.00 1.00 C ATOM 383 C LYS A 27 -6.511 0.967 -5.925 1.00 1.00 C ATOM 384 O LYS A 27 -5.316 0.954 -6.144 1.00 1.00 O ATOM 385 CB LYS A 27 -7.047 1.624 -3.558 1.00 1.00 C ATOM 386 CG LYS A 27 -8.263 1.514 -2.637 1.00 1.00 C ATOM 387 CD LYS A 27 -7.801 1.164 -1.221 1.00 1.00 C ATOM 388 CE LYS A 27 -8.866 1.604 -0.214 1.00 1.00 C ATOM 389 NZ LYS A 27 -8.098 2.157 0.937 1.00 1.00 N ATOM 0 H LYS A 27 -5.403 -0.251 -3.494 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.094 0.143 -4.782 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -6.129 1.572 -2.973 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -7.048 2.589 -4.065 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -8.813 2.455 -2.629 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -8.945 0.749 -3.008 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -7.628 0.091 -1.138 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -6.854 1.657 -1.004 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -9.530 2.354 -0.643 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -9.490 0.765 0.094 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -8.664 2.071 1.805 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -7.210 1.627 1.049 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -7.883 3.159 0.761 1.00 1.00 H new ATOM 402 N ARG A 28 -7.360 1.390 -6.823 1.00 1.00 N ATOM 403 CA ARG A 28 -6.870 1.870 -8.146 1.00 1.00 C ATOM 404 C ARG A 28 -6.357 3.308 -8.030 1.00 1.00 C ATOM 405 O ARG A 28 -6.984 4.153 -7.421 1.00 1.00 O ATOM 406 CB ARG A 28 -8.091 1.808 -9.067 1.00 1.00 C ATOM 407 CG ARG A 28 -8.197 0.411 -9.680 1.00 1.00 C ATOM 408 CD ARG A 28 -9.440 0.336 -10.569 1.00 1.00 C ATOM 409 NE ARG A 28 -8.970 0.752 -11.921 1.00 1.00 N ATOM 410 CZ ARG A 28 -9.725 0.548 -12.965 1.00 1.00 C ATOM 411 NH1 ARG A 28 -10.892 -0.020 -12.826 1.00 1.00 N ATOM 412 NH2 ARG A 28 -9.314 0.913 -14.149 1.00 1.00 N ATOM 0 H ARG A 28 -8.372 1.424 -6.697 1.00 1.00 H new ATOM 0 HA ARG A 28 -6.044 1.268 -8.524 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -8.996 2.040 -8.505 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.004 2.557 -9.854 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -7.304 0.191 -10.266 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -8.255 -0.340 -8.892 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -9.852 -0.673 -10.587 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -10.227 0.996 -10.204 1.00 1.00 H new ATOM 0 HE ARG A 28 -8.058 1.196 -12.030 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -11.214 -0.304 -11.901 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -11.482 -0.179 -13.643 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -8.403 1.358 -14.258 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -9.904 0.753 -14.965 1.00 1.00 H new ATOM 425 N LYS A 29 -5.222 3.590 -8.606 1.00 1.00 N ATOM 426 CA LYS A 29 -4.665 4.972 -8.526 1.00 1.00 C ATOM 427 C LYS A 29 -5.541 5.951 -9.310 1.00 1.00 C ATOM 428 O LYS A 29 -5.876 7.018 -8.834 1.00 1.00 O ATOM 429 CB LYS A 29 -3.279 4.874 -9.156 1.00 1.00 C ATOM 430 CG LYS A 29 -2.775 6.277 -9.503 1.00 1.00 C ATOM 431 CD LYS A 29 -2.980 6.539 -10.995 1.00 1.00 C ATOM 432 CE LYS A 29 -3.734 7.857 -11.184 1.00 1.00 C ATOM 433 NZ LYS A 29 -2.693 8.842 -11.588 1.00 1.00 N ATOM 0 H LYS A 29 -4.654 2.924 -9.130 1.00 1.00 H new ATOM 0 HA LYS A 29 -4.626 5.339 -7.500 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.588 4.388 -8.467 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -3.319 4.258 -10.054 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -3.310 7.023 -8.915 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -1.719 6.369 -9.249 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -2.017 6.583 -11.503 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -3.540 5.720 -11.445 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -4.507 7.764 -11.947 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -4.231 8.163 -10.263 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -3.134 9.772 -11.736 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -1.975 8.915 -10.839 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -2.242 8.528 -12.471 1.00 1.00 H new ATOM 446 N LYS A 30 -5.914 5.600 -10.510 1.00 1.00 N ATOM 447 CA LYS A 30 -6.763 6.517 -11.323 1.00 1.00 C ATOM 448 C LYS A 30 -7.885 7.099 -10.459 1.00 1.00 C ATOM 449 O LYS A 30 -7.957 8.292 -10.239 1.00 1.00 O ATOM 450 CB LYS A 30 -7.343 5.638 -12.433 1.00 1.00 C ATOM 451 CG LYS A 30 -6.309 5.477 -13.550 1.00 1.00 C ATOM 452 CD LYS A 30 -5.937 6.854 -14.103 1.00 1.00 C ATOM 453 CE LYS A 30 -5.540 6.723 -15.576 1.00 1.00 C ATOM 454 NZ LYS A 30 -4.791 7.972 -15.884 1.00 1.00 N ATOM 0 H LYS A 30 -5.668 4.719 -10.962 1.00 1.00 H new ATOM 0 HA LYS A 30 -6.199 7.359 -11.723 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -7.617 4.662 -12.033 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -8.254 6.087 -12.828 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.420 4.975 -13.168 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.712 4.850 -14.346 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -6.780 7.538 -14.002 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -5.112 7.277 -13.529 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -4.922 5.841 -15.741 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -6.418 6.621 -16.214 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -4.485 7.957 -16.878 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -5.407 8.795 -15.724 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -3.957 8.038 -15.266 1.00 1.00 H new ATOM 467 N ASP A 31 -8.761 6.267 -9.970 1.00 1.00 N ATOM 468 CA ASP A 31 -9.878 6.773 -9.120 1.00 1.00 C ATOM 469 C ASP A 31 -9.769 6.202 -7.704 1.00 1.00 C ATOM 470 O ASP A 31 -10.730 6.171 -6.962 1.00 1.00 O ATOM 471 CB ASP A 31 -11.155 6.278 -9.802 1.00 1.00 C ATOM 472 CG ASP A 31 -11.870 5.281 -8.889 1.00 1.00 C ATOM 473 OD1 ASP A 31 -12.149 5.639 -7.757 1.00 1.00 O ATOM 474 OD2 ASP A 31 -12.129 4.177 -9.339 1.00 1.00 O ATOM 0 H ASP A 31 -8.753 5.258 -10.121 1.00 1.00 H new ATOM 0 HA ASP A 31 -9.862 7.859 -9.025 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -11.811 7.120 -10.023 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -10.912 5.805 -10.754 1.00 1.00 H new ATOM 479 N ASP A 32 -8.605 5.751 -7.322 1.00 1.00 N ATOM 480 CA ASP A 32 -8.441 5.183 -5.953 1.00 1.00 C ATOM 481 C ASP A 32 -9.655 4.323 -5.589 1.00 1.00 C ATOM 482 O ASP A 32 -10.368 4.605 -4.647 1.00 1.00 O ATOM 483 CB ASP A 32 -8.347 6.397 -5.029 1.00 1.00 C ATOM 484 CG ASP A 32 -9.019 7.599 -5.696 1.00 1.00 C ATOM 485 OD1 ASP A 32 -10.224 7.551 -5.882 1.00 1.00 O ATOM 486 OD2 ASP A 32 -8.318 8.547 -6.008 1.00 1.00 O ATOM 0 H ASP A 32 -7.762 5.751 -7.897 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.563 4.542 -5.874 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -8.829 6.180 -4.076 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -7.303 6.624 -4.814 1.00 1.00 H new ATOM 491 N TRP A 33 -9.894 3.274 -6.329 1.00 1.00 N ATOM 492 CA TRP A 33 -11.061 2.397 -6.025 1.00 1.00 C ATOM 493 C TRP A 33 -10.720 1.446 -4.876 1.00 1.00 C ATOM 494 O TRP A 33 -9.566 1.194 -4.591 1.00 1.00 O ATOM 495 CB TRP A 33 -11.319 1.609 -7.310 1.00 1.00 C ATOM 496 CG TRP A 33 -11.061 2.475 -8.502 1.00 1.00 C ATOM 497 CD1 TRP A 33 -10.462 3.688 -8.473 1.00 1.00 C ATOM 498 CD2 TRP A 33 -11.385 2.213 -9.900 1.00 1.00 C ATOM 499 NE1 TRP A 33 -10.395 4.185 -9.763 1.00 1.00 N ATOM 500 CE2 TRP A 33 -10.952 3.313 -10.676 1.00 1.00 C ATOM 501 CE3 TRP A 33 -12.006 1.138 -10.560 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -11.128 3.345 -12.060 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -12.185 1.167 -11.953 1.00 1.00 C ATOM 504 CH2 TRP A 33 -11.747 2.269 -12.701 1.00 1.00 C ATOM 0 H TRP A 33 -9.332 2.987 -7.130 1.00 1.00 H new ATOM 0 HA TRP A 33 -11.936 2.971 -5.719 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -10.675 0.730 -7.343 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.348 1.251 -7.326 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -10.096 4.187 -7.588 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -9.984 5.086 -10.009 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -12.347 0.285 -9.993 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -10.788 4.196 -12.632 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -12.663 0.336 -12.451 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -11.888 2.286 -13.772 1.00 1.00 H new ATOM 515 N VAL A 34 -11.712 0.910 -4.220 1.00 1.00 N ATOM 516 CA VAL A 34 -11.439 -0.029 -3.094 1.00 1.00 C ATOM 517 C VAL A 34 -12.136 -1.367 -3.353 1.00 1.00 C ATOM 518 O VAL A 34 -13.171 -1.425 -3.986 1.00 1.00 O ATOM 519 CB VAL A 34 -12.025 0.652 -1.858 1.00 1.00 C ATOM 520 CG1 VAL A 34 -12.939 1.798 -2.290 1.00 1.00 C ATOM 521 CG2 VAL A 34 -12.833 -0.368 -1.051 1.00 1.00 C ATOM 0 H VAL A 34 -12.699 1.081 -4.414 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.376 -0.238 -2.974 1.00 1.00 H new ATOM 0 HB VAL A 34 -11.216 1.046 -1.243 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -13.356 2.283 -1.408 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -12.365 2.524 -2.866 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -13.749 1.406 -2.905 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -13.252 0.116 -0.169 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -13.641 -0.762 -1.667 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -12.182 -1.185 -0.742 1.00 1.00 H new ATOM 531 N ASN A 35 -11.579 -2.445 -2.872 1.00 1.00 N ATOM 532 CA ASN A 35 -12.215 -3.774 -3.097 1.00 1.00 C ATOM 533 C ASN A 35 -13.537 -3.866 -2.329 1.00 1.00 C ATOM 534 O ASN A 35 -13.561 -4.133 -1.145 1.00 1.00 O ATOM 535 CB ASN A 35 -11.209 -4.791 -2.555 1.00 1.00 C ATOM 536 CG ASN A 35 -10.686 -4.319 -1.198 1.00 1.00 C ATOM 537 OD1 ASN A 35 -9.553 -4.582 -0.845 1.00 1.00 O ATOM 538 ND2 ASN A 35 -11.468 -3.627 -0.415 1.00 1.00 N ATOM 0 H ASN A 35 -10.713 -2.463 -2.334 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.446 -3.948 -4.148 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -11.682 -5.768 -2.454 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -10.381 -4.908 -3.255 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -11.128 -3.307 0.492 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -12.419 -3.406 -0.710 1.00 1.00 H new ATOM 545 N ALA A 36 -14.637 -3.643 -2.997 1.00 1.00 N ATOM 546 CA ALA A 36 -15.957 -3.716 -2.306 1.00 1.00 C ATOM 547 C ALA A 36 -16.047 -4.989 -1.458 1.00 1.00 C ATOM 548 O ALA A 36 -16.787 -5.050 -0.496 1.00 1.00 O ATOM 549 CB ALA A 36 -16.991 -3.746 -3.431 1.00 1.00 C ATOM 0 H ALA A 36 -14.679 -3.414 -3.990 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.114 -2.876 -1.629 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -17.992 -3.800 -3.004 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -16.901 -2.841 -4.032 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -16.818 -4.619 -4.061 1.00 1.00 H new ATOM 555 N THR A 37 -15.300 -6.005 -1.800 1.00 1.00 N ATOM 556 CA THR A 37 -15.351 -7.262 -0.999 1.00 1.00 C ATOM 557 C THR A 37 -14.932 -6.969 0.442 1.00 1.00 C ATOM 558 O THR A 37 -15.556 -7.414 1.385 1.00 1.00 O ATOM 559 CB THR A 37 -14.356 -8.211 -1.667 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.688 -8.352 -3.042 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.418 -9.577 -0.980 1.00 1.00 C ATOM 0 H THR A 37 -14.660 -6.019 -2.594 1.00 1.00 H new ATOM 0 HA THR A 37 -16.351 -7.693 -0.966 1.00 1.00 H new ATOM 0 HB THR A 37 -13.348 -7.807 -1.578 1.00 1.00 H new ATOM 0 HG1 THR A 37 -14.050 -8.959 -3.472 1.00 1.00 H new ATOM 0 HG21 THR A 37 -13.709 -10.256 -1.455 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.164 -9.466 0.074 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.425 -9.984 -1.069 1.00 1.00 H new ATOM 569 N HIS A 38 -13.887 -6.209 0.617 1.00 1.00 N ATOM 570 CA HIS A 38 -13.440 -5.870 1.997 1.00 1.00 C ATOM 571 C HIS A 38 -14.495 -4.985 2.659 1.00 1.00 C ATOM 572 O HIS A 38 -14.659 -4.982 3.864 1.00 1.00 O ATOM 573 CB HIS A 38 -12.127 -5.107 1.815 1.00 1.00 C ATOM 574 CG HIS A 38 -11.201 -5.908 0.943 1.00 1.00 C ATOM 575 ND1 HIS A 38 -11.366 -5.991 -0.430 1.00 1.00 N ATOM 576 CD2 HIS A 38 -10.096 -6.670 1.234 1.00 1.00 C ATOM 577 CE1 HIS A 38 -10.384 -6.776 -0.911 1.00 1.00 C ATOM 578 NE2 HIS A 38 -9.582 -7.217 0.063 1.00 1.00 N ATOM 0 H HIS A 38 -13.324 -5.809 -0.134 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.304 -6.748 2.629 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -12.319 -4.134 1.363 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -11.663 -4.923 2.784 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -9.688 -6.822 2.222 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -10.259 -7.020 -1.956 1.00 1.00 H new ATOM 0 HE2 HIS A 38 -8.768 -7.824 -0.032 1.00 1.00 H new ATOM 586 N ILE A 39 -15.224 -4.246 1.868 1.00 1.00 N ATOM 587 CA ILE A 39 -16.288 -3.365 2.426 1.00 1.00 C ATOM 588 C ILE A 39 -17.607 -4.137 2.487 1.00 1.00 C ATOM 589 O ILE A 39 -18.262 -4.194 3.509 1.00 1.00 O ATOM 590 CB ILE A 39 -16.389 -2.205 1.436 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.452 -1.078 1.874 1.00 1.00 C ATOM 592 CG2 ILE A 39 -17.827 -1.688 1.397 1.00 1.00 C ATOM 593 CD1 ILE A 39 -14.215 -1.069 0.975 1.00 1.00 C ATOM 0 H ILE A 39 -15.127 -4.215 0.853 1.00 1.00 H new ATOM 0 HA ILE A 39 -16.068 -3.019 3.436 1.00 1.00 H new ATOM 0 HB ILE A 39 -16.102 -2.550 0.443 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -15.966 -0.119 1.814 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -15.158 -1.218 2.914 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -17.897 -0.861 0.691 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.494 -2.491 1.083 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -18.117 -1.343 2.390 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -13.546 -0.267 1.285 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -13.698 -2.025 1.058 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.518 -0.909 -0.060 1.00 1.00 H new ATOM 605 N LEU A 40 -17.994 -4.738 1.395 1.00 1.00 N ATOM 606 CA LEU A 40 -19.263 -5.520 1.378 1.00 1.00 C ATOM 607 C LEU A 40 -18.981 -6.977 1.754 1.00 1.00 C ATOM 608 O LEU A 40 -19.612 -7.538 2.628 1.00 1.00 O ATOM 609 CB LEU A 40 -19.771 -5.424 -0.061 1.00 1.00 C ATOM 610 CG LEU A 40 -20.956 -4.459 -0.121 1.00 1.00 C ATOM 611 CD1 LEU A 40 -21.984 -4.845 0.943 1.00 1.00 C ATOM 612 CD2 LEU A 40 -20.465 -3.033 0.139 1.00 1.00 C ATOM 0 H LEU A 40 -17.485 -4.721 0.511 1.00 1.00 H new ATOM 0 HA LEU A 40 -19.995 -5.141 2.090 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -18.973 -5.077 -0.717 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -20.072 -6.409 -0.418 1.00 1.00 H new ATOM 0 HG LEU A 40 -21.417 -4.512 -1.107 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -22.828 -4.157 0.900 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -22.334 -5.861 0.759 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -21.524 -4.793 1.930 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -21.309 -2.344 0.096 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -20.004 -2.981 1.125 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -19.732 -2.757 -0.619 1.00 1.00 H new ATOM 624 N LYS A 41 -18.027 -7.590 1.106 1.00 1.00 N ATOM 625 CA LYS A 41 -17.695 -9.006 1.431 1.00 1.00 C ATOM 626 C LYS A 41 -17.102 -9.087 2.838 1.00 1.00 C ATOM 627 O LYS A 41 -17.176 -10.102 3.500 1.00 1.00 O ATOM 628 CB LYS A 41 -16.660 -9.424 0.386 1.00 1.00 C ATOM 629 CG LYS A 41 -17.369 -10.079 -0.801 1.00 1.00 C ATOM 630 CD LYS A 41 -18.106 -9.010 -1.610 1.00 1.00 C ATOM 631 CE LYS A 41 -19.156 -8.334 -0.725 1.00 1.00 C ATOM 632 NZ LYS A 41 -20.466 -8.773 -1.279 1.00 1.00 N ATOM 0 H LYS A 41 -17.464 -7.171 0.366 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.571 -9.655 1.412 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -16.094 -8.555 0.051 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -15.945 -10.120 0.825 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -16.644 -10.593 -1.433 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -18.073 -10.832 -0.447 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -17.399 -8.270 -1.984 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -18.584 -9.462 -2.479 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -19.047 -8.635 0.317 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -19.058 -7.249 -0.755 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -21.127 -7.970 -1.285 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -20.333 -9.120 -2.250 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -20.854 -9.536 -0.689 1.00 1.00 H new ATOM 645 N ALA A 42 -16.525 -8.013 3.302 1.00 1.00 N ATOM 646 CA ALA A 42 -15.938 -8.016 4.670 1.00 1.00 C ATOM 647 C ALA A 42 -17.055 -8.153 5.705 1.00 1.00 C ATOM 648 O ALA A 42 -16.843 -8.613 6.809 1.00 1.00 O ATOM 649 CB ALA A 42 -15.238 -6.663 4.807 1.00 1.00 C ATOM 0 H ALA A 42 -16.435 -7.134 2.793 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.246 -8.843 4.828 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -14.779 -6.589 5.793 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.468 -6.572 4.041 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -15.967 -5.862 4.685 1.00 1.00 H new ATOM 655 N ALA A 43 -18.247 -7.756 5.349 1.00 1.00 N ATOM 656 CA ALA A 43 -19.384 -7.861 6.306 1.00 1.00 C ATOM 657 C ALA A 43 -20.548 -8.624 5.665 1.00 1.00 C ATOM 658 O ALA A 43 -21.630 -8.696 6.212 1.00 1.00 O ATOM 659 CB ALA A 43 -19.789 -6.415 6.599 1.00 1.00 C ATOM 0 H ALA A 43 -18.482 -7.364 4.437 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.112 -8.401 7.213 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -20.624 -6.406 7.299 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -18.944 -5.882 7.035 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.087 -5.926 5.672 1.00 1.00 H new ATOM 665 N ASN A 44 -20.336 -9.193 4.508 1.00 1.00 N ATOM 666 CA ASN A 44 -21.435 -9.947 3.841 1.00 1.00 C ATOM 667 C ASN A 44 -20.888 -11.220 3.187 1.00 1.00 C ATOM 668 O ASN A 44 -21.534 -11.830 2.357 1.00 1.00 O ATOM 669 CB ASN A 44 -21.981 -8.992 2.778 1.00 1.00 C ATOM 670 CG ASN A 44 -20.935 -8.798 1.680 1.00 1.00 C ATOM 671 OD1 ASN A 44 -20.265 -9.733 1.290 1.00 1.00 O ATOM 672 ND2 ASN A 44 -20.765 -7.613 1.160 1.00 1.00 N ATOM 0 H ASN A 44 -19.453 -9.168 3.998 1.00 1.00 H new ATOM 0 HA ASN A 44 -22.206 -10.260 4.546 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -22.901 -9.393 2.352 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -22.231 -8.032 3.230 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -20.070 -7.473 0.427 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -21.327 -6.827 1.487 1.00 1.00 H new ATOM 679 N PHE A 45 -19.703 -11.627 3.553 1.00 1.00 N ATOM 680 CA PHE A 45 -19.120 -12.860 2.949 1.00 1.00 C ATOM 681 C PHE A 45 -19.396 -12.890 1.443 1.00 1.00 C ATOM 682 O PHE A 45 -20.408 -12.406 0.978 1.00 1.00 O ATOM 683 CB PHE A 45 -19.834 -14.019 3.648 1.00 1.00 C ATOM 684 CG PHE A 45 -19.237 -14.226 5.019 1.00 1.00 C ATOM 685 CD1 PHE A 45 -17.853 -14.378 5.164 1.00 1.00 C ATOM 686 CD2 PHE A 45 -20.068 -14.266 6.145 1.00 1.00 C ATOM 687 CE1 PHE A 45 -17.299 -14.570 6.435 1.00 1.00 C ATOM 688 CE2 PHE A 45 -19.514 -14.458 7.416 1.00 1.00 C ATOM 689 CZ PHE A 45 -18.130 -14.610 7.562 1.00 1.00 C ATOM 0 H PHE A 45 -19.114 -11.160 4.243 1.00 1.00 H new ATOM 0 HA PHE A 45 -18.039 -12.912 3.076 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -20.900 -13.806 3.732 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -19.737 -14.929 3.056 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -17.213 -14.347 4.295 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -21.136 -14.149 6.033 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -16.231 -14.687 6.547 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -20.155 -14.489 8.285 1.00 1.00 H new ATOM 0 HZ PHE A 45 -17.703 -14.758 8.543 1.00 1.00 H new ATOM 699 N ALA A 46 -18.500 -13.451 0.677 1.00 1.00 N ATOM 700 CA ALA A 46 -18.714 -13.504 -0.799 1.00 1.00 C ATOM 701 C ALA A 46 -19.630 -14.673 -1.165 1.00 1.00 C ATOM 702 O ALA A 46 -19.190 -15.786 -1.375 1.00 1.00 O ATOM 703 CB ALA A 46 -17.321 -13.704 -1.397 1.00 1.00 C ATOM 0 H ALA A 46 -17.632 -13.874 1.007 1.00 1.00 H new ATOM 0 HA ALA A 46 -19.193 -12.600 -1.176 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -17.395 -13.753 -2.483 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.680 -12.869 -1.114 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -16.893 -14.633 -1.020 1.00 1.00 H new ATOM 709 N LYS A 47 -20.902 -14.415 -1.247 1.00 1.00 N ATOM 710 CA LYS A 47 -21.873 -15.485 -1.606 1.00 1.00 C ATOM 711 C LYS A 47 -22.945 -14.890 -2.516 1.00 1.00 C ATOM 712 O LYS A 47 -22.797 -13.792 -3.016 1.00 1.00 O ATOM 713 CB LYS A 47 -22.481 -15.939 -0.278 1.00 1.00 C ATOM 714 CG LYS A 47 -21.666 -17.106 0.284 1.00 1.00 C ATOM 715 CD LYS A 47 -21.167 -16.754 1.687 1.00 1.00 C ATOM 716 CE LYS A 47 -20.244 -17.863 2.194 1.00 1.00 C ATOM 717 NZ LYS A 47 -20.570 -19.048 1.355 1.00 1.00 N ATOM 0 H LYS A 47 -21.317 -13.498 -1.079 1.00 1.00 H new ATOM 0 HA LYS A 47 -21.413 -16.320 -2.134 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -22.489 -15.112 0.432 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -23.517 -16.243 -0.425 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -22.279 -18.007 0.320 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -20.821 -17.321 -0.370 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -20.634 -15.804 1.667 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -22.012 -16.631 2.365 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -19.196 -17.582 2.091 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -20.416 -18.068 3.251 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -20.064 -19.881 1.719 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -21.595 -19.224 1.386 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -20.279 -18.869 0.373 1.00 1.00 H new ATOM 730 N ALA A 48 -24.029 -15.581 -2.734 1.00 1.00 N ATOM 731 CA ALA A 48 -25.081 -15.001 -3.610 1.00 1.00 C ATOM 732 C ALA A 48 -25.400 -13.600 -3.100 1.00 1.00 C ATOM 733 O ALA A 48 -25.846 -12.740 -3.833 1.00 1.00 O ATOM 734 CB ALA A 48 -26.289 -15.926 -3.462 1.00 1.00 C ATOM 0 H ALA A 48 -24.229 -16.505 -2.351 1.00 1.00 H new ATOM 0 HA ALA A 48 -24.782 -14.923 -4.655 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -27.107 -15.559 -4.082 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -26.017 -16.933 -3.779 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -26.606 -15.947 -2.419 1.00 1.00 H new ATOM 740 N LYS A 49 -25.133 -13.360 -1.845 1.00 1.00 N ATOM 741 CA LYS A 49 -25.374 -12.008 -1.277 1.00 1.00 C ATOM 742 C LYS A 49 -24.379 -11.022 -1.896 1.00 1.00 C ATOM 743 O LYS A 49 -24.755 -9.986 -2.410 1.00 1.00 O ATOM 744 CB LYS A 49 -25.126 -12.155 0.224 1.00 1.00 C ATOM 745 CG LYS A 49 -26.467 -12.260 0.955 1.00 1.00 C ATOM 746 CD LYS A 49 -27.600 -11.889 -0.002 1.00 1.00 C ATOM 747 CE LYS A 49 -27.692 -12.934 -1.118 1.00 1.00 C ATOM 748 NZ LYS A 49 -28.738 -13.891 -0.662 1.00 1.00 N ATOM 0 H LYS A 49 -24.758 -14.045 -1.189 1.00 1.00 H new ATOM 0 HA LYS A 49 -26.378 -11.635 -1.479 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -24.523 -13.042 0.419 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.563 -11.299 0.596 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -26.611 -13.273 1.330 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -26.475 -11.596 1.820 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -28.545 -11.836 0.540 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -27.421 -10.902 -0.428 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -27.964 -12.474 -2.068 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -26.736 -13.436 -1.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -28.859 -14.638 -1.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -28.448 -14.318 0.241 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -29.638 -13.386 -0.533 1.00 1.00 H new ATOM 761 N ARG A 50 -23.109 -11.343 -1.860 1.00 1.00 N ATOM 762 CA ARG A 50 -22.094 -10.429 -2.451 1.00 1.00 C ATOM 763 C ARG A 50 -22.358 -10.255 -3.947 1.00 1.00 C ATOM 764 O ARG A 50 -22.014 -9.249 -4.535 1.00 1.00 O ATOM 765 CB ARG A 50 -20.752 -11.121 -2.220 1.00 1.00 C ATOM 766 CG ARG A 50 -19.771 -10.720 -3.323 1.00 1.00 C ATOM 767 CD ARG A 50 -20.309 -11.182 -4.679 1.00 1.00 C ATOM 768 NE ARG A 50 -19.122 -11.204 -5.577 1.00 1.00 N ATOM 769 CZ ARG A 50 -18.161 -12.062 -5.367 1.00 1.00 C ATOM 770 NH1 ARG A 50 -18.242 -12.900 -4.369 1.00 1.00 N ATOM 771 NH2 ARG A 50 -17.121 -12.082 -6.153 1.00 1.00 N ATOM 0 H ARG A 50 -22.736 -12.198 -1.447 1.00 1.00 H new ATOM 0 HA ARG A 50 -22.119 -9.436 -2.003 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -20.352 -10.844 -1.245 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -20.886 -12.203 -2.214 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -19.632 -9.639 -3.325 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -18.795 -11.167 -3.136 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -20.767 -12.168 -4.607 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -21.074 -10.502 -5.053 1.00 1.00 H new ATOM 0 HE ARG A 50 -19.060 -10.549 -6.356 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -19.056 -12.884 -3.754 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -17.492 -13.571 -4.204 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -17.058 -11.427 -6.932 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -16.370 -12.753 -5.989 1.00 1.00 H new ATOM 784 N THR A 51 -22.978 -11.223 -4.565 1.00 1.00 N ATOM 785 CA THR A 51 -23.273 -11.104 -6.021 1.00 1.00 C ATOM 786 C THR A 51 -24.295 -9.989 -6.243 1.00 1.00 C ATOM 787 O THR A 51 -24.231 -9.258 -7.210 1.00 1.00 O ATOM 788 CB THR A 51 -23.854 -12.459 -6.424 1.00 1.00 C ATOM 789 OG1 THR A 51 -22.916 -13.484 -6.123 1.00 1.00 O ATOM 790 CG2 THR A 51 -24.152 -12.462 -7.925 1.00 1.00 C ATOM 0 H THR A 51 -23.292 -12.089 -4.126 1.00 1.00 H new ATOM 0 HA THR A 51 -22.390 -10.858 -6.611 1.00 1.00 H new ATOM 0 HB THR A 51 -24.777 -12.638 -5.872 1.00 1.00 H new ATOM 0 HG1 THR A 51 -22.962 -13.700 -5.168 1.00 1.00 H new ATOM 0 HG21 THR A 51 -24.566 -13.429 -8.212 1.00 1.00 H new ATOM 0 HG22 THR A 51 -24.872 -11.676 -8.155 1.00 1.00 H new ATOM 0 HG23 THR A 51 -23.231 -12.283 -8.479 1.00 1.00 H new ATOM 798 N ARG A 52 -25.230 -9.849 -5.345 1.00 1.00 N ATOM 799 CA ARG A 52 -26.249 -8.771 -5.494 1.00 1.00 C ATOM 800 C ARG A 52 -25.770 -7.515 -4.765 1.00 1.00 C ATOM 801 O ARG A 52 -25.538 -6.483 -5.364 1.00 1.00 O ATOM 802 CB ARG A 52 -27.517 -9.325 -4.842 1.00 1.00 C ATOM 803 CG ARG A 52 -28.664 -9.301 -5.854 1.00 1.00 C ATOM 804 CD ARG A 52 -29.885 -10.005 -5.258 1.00 1.00 C ATOM 805 NE ARG A 52 -30.818 -8.906 -4.886 1.00 1.00 N ATOM 806 CZ ARG A 52 -31.103 -8.687 -3.633 1.00 1.00 C ATOM 807 NH1 ARG A 52 -30.569 -9.432 -2.703 1.00 1.00 N ATOM 808 NH2 ARG A 52 -31.920 -7.723 -3.306 1.00 1.00 N ATOM 0 H ARG A 52 -25.333 -10.433 -4.515 1.00 1.00 H new ATOM 0 HA ARG A 52 -26.423 -8.497 -6.535 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -27.345 -10.344 -4.496 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -27.778 -8.730 -3.966 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -28.914 -8.272 -6.112 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -28.360 -9.796 -6.776 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -30.341 -10.683 -5.979 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -29.611 -10.602 -4.388 1.00 1.00 H new ATOM 0 HE ARG A 52 -31.235 -8.324 -5.612 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -29.929 -10.185 -2.957 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -30.792 -9.261 -1.722 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -32.337 -7.140 -4.031 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -32.142 -7.553 -2.325 1.00 1.00 H new ATOM 821 N ILE A 53 -25.618 -7.598 -3.471 1.00 1.00 N ATOM 822 CA ILE A 53 -25.150 -6.413 -2.699 1.00 1.00 C ATOM 823 C ILE A 53 -23.960 -5.766 -3.414 1.00 1.00 C ATOM 824 O ILE A 53 -23.936 -4.574 -3.644 1.00 1.00 O ATOM 825 CB ILE A 53 -24.727 -6.965 -1.338 1.00 1.00 C ATOM 826 CG1 ILE A 53 -24.673 -5.825 -0.320 1.00 1.00 C ATOM 827 CG2 ILE A 53 -23.343 -7.607 -1.456 1.00 1.00 C ATOM 828 CD1 ILE A 53 -24.692 -6.404 1.096 1.00 1.00 C ATOM 0 H ILE A 53 -25.798 -8.435 -2.916 1.00 1.00 H new ATOM 0 HA ILE A 53 -25.920 -5.648 -2.601 1.00 1.00 H new ATOM 0 HB ILE A 53 -25.449 -7.713 -1.009 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -23.771 -5.232 -0.470 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -25.522 -5.156 -0.462 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -23.041 -8.001 -0.486 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -23.379 -8.419 -2.182 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -22.622 -6.859 -1.785 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -24.653 -5.592 1.822 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -25.607 -6.978 1.242 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -23.829 -7.055 1.234 1.00 1.00 H new ATOM 840 N LEU A 54 -22.981 -6.547 -3.785 1.00 1.00 N ATOM 841 CA LEU A 54 -21.807 -5.975 -4.505 1.00 1.00 C ATOM 842 C LEU A 54 -22.246 -5.485 -5.888 1.00 1.00 C ATOM 843 O LEU A 54 -22.067 -4.338 -6.244 1.00 1.00 O ATOM 844 CB LEU A 54 -20.814 -7.130 -4.632 1.00 1.00 C ATOM 845 CG LEU A 54 -19.397 -6.617 -4.373 1.00 1.00 C ATOM 846 CD1 LEU A 54 -18.800 -7.348 -3.170 1.00 1.00 C ATOM 847 CD2 LEU A 54 -18.530 -6.874 -5.607 1.00 1.00 C ATOM 0 H LEU A 54 -22.943 -7.553 -3.621 1.00 1.00 H new ATOM 0 HA LEU A 54 -21.367 -5.125 -3.983 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -21.063 -7.917 -3.920 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -20.877 -7.569 -5.628 1.00 1.00 H new ATOM 0 HG LEU A 54 -19.430 -5.547 -4.167 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -17.790 -6.982 -2.986 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -19.418 -7.166 -2.290 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -18.766 -8.418 -3.375 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -17.519 -6.509 -5.424 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -18.498 -7.944 -5.812 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -18.954 -6.353 -6.465 1.00 1.00 H new ATOM 859 N GLU A 55 -22.817 -6.362 -6.668 1.00 1.00 N ATOM 860 CA GLU A 55 -23.269 -5.969 -8.032 1.00 1.00 C ATOM 861 C GLU A 55 -24.140 -4.714 -7.953 1.00 1.00 C ATOM 862 O GLU A 55 -23.933 -3.760 -8.675 1.00 1.00 O ATOM 863 CB GLU A 55 -24.085 -7.157 -8.536 1.00 1.00 C ATOM 864 CG GLU A 55 -25.569 -6.910 -8.266 1.00 1.00 C ATOM 865 CD GLU A 55 -26.102 -5.870 -9.254 1.00 1.00 C ATOM 866 OE1 GLU A 55 -25.384 -5.544 -10.184 1.00 1.00 O ATOM 867 OE2 GLU A 55 -27.219 -5.419 -9.063 1.00 1.00 O ATOM 0 H GLU A 55 -22.990 -7.336 -6.418 1.00 1.00 H new ATOM 0 HA GLU A 55 -22.436 -5.738 -8.695 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -23.918 -7.299 -9.604 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -23.761 -8.071 -8.038 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -26.127 -7.841 -8.365 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -25.710 -6.561 -7.243 1.00 1.00 H new ATOM 874 N LYS A 56 -25.102 -4.694 -7.073 1.00 1.00 N ATOM 875 CA LYS A 56 -25.962 -3.484 -6.949 1.00 1.00 C ATOM 876 C LYS A 56 -25.146 -2.344 -6.342 1.00 1.00 C ATOM 877 O LYS A 56 -25.236 -1.207 -6.762 1.00 1.00 O ATOM 878 CB LYS A 56 -27.101 -3.893 -6.014 1.00 1.00 C ATOM 879 CG LYS A 56 -28.370 -3.131 -6.396 1.00 1.00 C ATOM 880 CD LYS A 56 -28.624 -3.285 -7.897 1.00 1.00 C ATOM 881 CE LYS A 56 -29.751 -4.296 -8.123 1.00 1.00 C ATOM 882 NZ LYS A 56 -30.967 -3.469 -8.361 1.00 1.00 N ATOM 0 H LYS A 56 -25.329 -5.459 -6.437 1.00 1.00 H new ATOM 0 HA LYS A 56 -26.343 -3.138 -7.910 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -27.274 -4.967 -6.082 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -26.832 -3.678 -4.980 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -29.220 -3.513 -5.831 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -28.265 -2.077 -6.140 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -28.892 -2.322 -8.332 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -27.715 -3.619 -8.398 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -29.538 -4.940 -8.976 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -29.878 -4.946 -7.257 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -31.784 -4.092 -8.524 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -31.148 -2.871 -7.530 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -30.819 -2.866 -9.195 1.00 1.00 H new ATOM 895 N GLU A 57 -24.338 -2.647 -5.368 1.00 1.00 N ATOM 896 CA GLU A 57 -23.497 -1.591 -4.742 1.00 1.00 C ATOM 897 C GLU A 57 -22.395 -1.180 -5.719 1.00 1.00 C ATOM 898 O GLU A 57 -22.203 -0.014 -6.005 1.00 1.00 O ATOM 899 CB GLU A 57 -22.899 -2.242 -3.494 1.00 1.00 C ATOM 900 CG GLU A 57 -22.711 -1.183 -2.406 1.00 1.00 C ATOM 901 CD GLU A 57 -23.876 -1.251 -1.419 1.00 1.00 C ATOM 902 OE1 GLU A 57 -23.873 -2.145 -0.589 1.00 1.00 O ATOM 903 OE2 GLU A 57 -24.753 -0.407 -1.509 1.00 1.00 O ATOM 0 H GLU A 57 -24.223 -3.582 -4.977 1.00 1.00 H new ATOM 0 HA GLU A 57 -24.063 -0.694 -4.490 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -23.555 -3.035 -3.135 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -21.942 -2.705 -3.735 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -21.768 -1.347 -1.884 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -22.659 -0.191 -2.855 1.00 1.00 H new ATOM 910 N VAL A 58 -21.669 -2.135 -6.238 1.00 1.00 N ATOM 911 CA VAL A 58 -20.580 -1.807 -7.201 1.00 1.00 C ATOM 912 C VAL A 58 -21.158 -1.590 -8.602 1.00 1.00 C ATOM 913 O VAL A 58 -20.853 -0.617 -9.264 1.00 1.00 O ATOM 914 CB VAL A 58 -19.658 -3.026 -7.184 1.00 1.00 C ATOM 915 CG1 VAL A 58 -20.173 -4.069 -8.177 1.00 1.00 C ATOM 916 CG2 VAL A 58 -18.243 -2.599 -7.583 1.00 1.00 C ATOM 0 H VAL A 58 -21.784 -3.128 -6.036 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.052 -0.892 -6.932 1.00 1.00 H new ATOM 0 HB VAL A 58 -19.641 -3.455 -6.182 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -19.516 -4.938 -8.165 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -21.181 -4.373 -7.896 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -20.190 -3.640 -9.179 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -17.584 -3.467 -7.571 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -18.261 -2.171 -8.585 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -17.875 -1.855 -6.877 1.00 1.00 H new ATOM 926 N LEU A 59 -21.994 -2.484 -9.064 1.00 1.00 N ATOM 927 CA LEU A 59 -22.582 -2.309 -10.424 1.00 1.00 C ATOM 928 C LEU A 59 -22.964 -0.844 -10.631 1.00 1.00 C ATOM 929 O LEU A 59 -22.665 -0.250 -11.649 1.00 1.00 O ATOM 930 CB LEU A 59 -23.826 -3.197 -10.446 1.00 1.00 C ATOM 931 CG LEU A 59 -24.441 -3.176 -11.846 1.00 1.00 C ATOM 932 CD1 LEU A 59 -25.430 -2.013 -11.952 1.00 1.00 C ATOM 933 CD2 LEU A 59 -23.332 -2.998 -12.885 1.00 1.00 C ATOM 0 H LEU A 59 -22.292 -3.321 -8.563 1.00 1.00 H new ATOM 0 HA LEU A 59 -21.885 -2.580 -11.217 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -23.563 -4.217 -10.168 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -24.551 -2.844 -9.713 1.00 1.00 H new ATOM 0 HG LEU A 59 -24.964 -4.115 -12.028 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -25.868 -1.998 -12.950 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -26.219 -2.138 -11.211 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -24.908 -1.074 -11.771 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -23.768 -2.983 -13.884 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -22.810 -2.059 -12.703 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -22.627 -3.826 -12.810 1.00 1.00 H new ATOM 945 N LYS A 60 -23.608 -0.250 -9.663 1.00 1.00 N ATOM 946 CA LYS A 60 -23.989 1.183 -9.796 1.00 1.00 C ATOM 947 C LYS A 60 -22.730 2.044 -9.709 1.00 1.00 C ATOM 948 O LYS A 60 -22.734 3.215 -10.031 1.00 1.00 O ATOM 949 CB LYS A 60 -24.917 1.462 -8.613 1.00 1.00 C ATOM 950 CG LYS A 60 -26.344 1.049 -8.974 1.00 1.00 C ATOM 951 CD LYS A 60 -26.693 -0.259 -8.260 1.00 1.00 C ATOM 952 CE LYS A 60 -27.841 -0.952 -8.994 1.00 1.00 C ATOM 953 NZ LYS A 60 -29.069 -0.547 -8.253 1.00 1.00 N ATOM 0 H LYS A 60 -23.886 -0.695 -8.788 1.00 1.00 H new ATOM 0 HA LYS A 60 -24.477 1.406 -10.745 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -24.579 0.912 -7.735 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -24.888 2.521 -8.356 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -27.045 1.832 -8.684 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -26.435 0.922 -10.053 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -25.821 -0.912 -8.229 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -26.977 -0.057 -7.227 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -27.888 -0.640 -10.037 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -27.716 -2.035 -8.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -29.846 -1.198 -8.486 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -28.884 -0.580 -7.230 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -29.336 0.421 -8.525 1.00 1.00 H new ATOM 966 N GLU A 61 -21.648 1.455 -9.280 1.00 1.00 N ATOM 967 CA GLU A 61 -20.369 2.213 -9.171 1.00 1.00 C ATOM 968 C GLU A 61 -19.369 1.697 -10.209 1.00 1.00 C ATOM 969 O GLU A 61 -19.736 1.325 -11.306 1.00 1.00 O ATOM 970 CB GLU A 61 -19.863 1.938 -7.754 1.00 1.00 C ATOM 971 CG GLU A 61 -19.949 3.220 -6.924 1.00 1.00 C ATOM 972 CD GLU A 61 -20.529 2.898 -5.546 1.00 1.00 C ATOM 973 OE1 GLU A 61 -19.869 2.199 -4.795 1.00 1.00 O ATOM 974 OE2 GLU A 61 -21.624 3.356 -5.264 1.00 1.00 O ATOM 0 H GLU A 61 -21.594 0.476 -8.999 1.00 1.00 H new ATOM 0 HA GLU A 61 -20.500 3.280 -9.353 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -20.458 1.151 -7.290 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -18.833 1.582 -7.787 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -18.959 3.665 -6.819 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -20.576 3.953 -7.432 1.00 1.00 H new ATOM 981 N THR A 62 -18.109 1.670 -9.874 1.00 1.00 N ATOM 982 CA THR A 62 -17.091 1.176 -10.846 1.00 1.00 C ATOM 983 C THR A 62 -16.634 -0.235 -10.464 1.00 1.00 C ATOM 984 O THR A 62 -15.457 -0.496 -10.311 1.00 1.00 O ATOM 985 CB THR A 62 -15.928 2.164 -10.741 1.00 1.00 C ATOM 986 OG1 THR A 62 -16.419 3.426 -10.307 1.00 1.00 O ATOM 987 CG2 THR A 62 -15.261 2.317 -12.108 1.00 1.00 C ATOM 0 H THR A 62 -17.740 1.968 -8.971 1.00 1.00 H new ATOM 0 HA THR A 62 -17.485 1.118 -11.861 1.00 1.00 H new ATOM 0 HB THR A 62 -15.197 1.791 -10.023 1.00 1.00 H new ATOM 0 HG1 THR A 62 -15.675 4.060 -10.237 1.00 1.00 H new ATOM 0 HG21 THR A 62 -14.433 3.021 -12.032 1.00 1.00 H new ATOM 0 HG22 THR A 62 -14.885 1.349 -12.440 1.00 1.00 H new ATOM 0 HG23 THR A 62 -15.989 2.690 -12.828 1.00 1.00 H new ATOM 995 N HIS A 63 -17.554 -1.148 -10.311 1.00 1.00 N ATOM 996 CA HIS A 63 -17.168 -2.541 -9.942 1.00 1.00 C ATOM 997 C HIS A 63 -16.293 -3.152 -11.039 1.00 1.00 C ATOM 998 O HIS A 63 -16.698 -3.260 -12.180 1.00 1.00 O ATOM 999 CB HIS A 63 -18.490 -3.301 -9.823 1.00 1.00 C ATOM 1000 CG HIS A 63 -18.550 -4.371 -10.877 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -17.732 -5.490 -10.841 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -19.323 -4.509 -12.004 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -18.031 -6.245 -11.916 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -18.994 -5.692 -12.657 1.00 1.00 N ATOM 0 H HIS A 63 -18.555 -0.991 -10.425 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.593 -2.580 -9.017 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -18.578 -3.747 -8.832 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -19.328 -2.614 -9.939 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -20.073 -3.805 -12.333 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -17.550 -7.183 -12.150 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -19.401 -6.058 -13.517 1.00 1.00 H new ATOM 1012 N GLU A 64 -15.094 -3.546 -10.706 1.00 1.00 N ATOM 1013 CA GLU A 64 -14.194 -4.141 -11.735 1.00 1.00 C ATOM 1014 C GLU A 64 -13.531 -5.411 -11.200 1.00 1.00 C ATOM 1015 O GLU A 64 -13.198 -5.502 -10.038 1.00 1.00 O ATOM 1016 CB GLU A 64 -13.133 -3.073 -11.993 1.00 1.00 C ATOM 1017 CG GLU A 64 -13.644 -2.087 -13.045 1.00 1.00 C ATOM 1018 CD GLU A 64 -13.853 -2.818 -14.373 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -13.024 -3.649 -14.705 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -14.838 -2.536 -15.034 1.00 1.00 O ATOM 0 H GLU A 64 -14.699 -3.482 -9.768 1.00 1.00 H new ATOM 0 HA GLU A 64 -14.738 -4.419 -12.638 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -12.901 -2.546 -11.068 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -12.209 -3.539 -12.335 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -14.581 -1.639 -12.714 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -12.929 -1.274 -13.174 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.326 -6.386 -12.043 1.00 1.00 N ATOM 1028 CA LYS A 65 -12.668 -7.642 -11.585 1.00 1.00 C ATOM 1029 C LYS A 65 -11.174 -7.588 -11.919 1.00 1.00 C ATOM 1030 O LYS A 65 -10.792 -7.337 -13.044 1.00 1.00 O ATOM 1031 CB LYS A 65 -13.354 -8.761 -12.369 1.00 1.00 C ATOM 1032 CG LYS A 65 -14.741 -9.022 -11.779 1.00 1.00 C ATOM 1033 CD LYS A 65 -15.265 -10.369 -12.281 1.00 1.00 C ATOM 1034 CE LYS A 65 -16.772 -10.271 -12.528 1.00 1.00 C ATOM 1035 NZ LYS A 65 -17.019 -11.114 -13.732 1.00 1.00 N ATOM 0 H LYS A 65 -13.586 -6.367 -13.029 1.00 1.00 H new ATOM 0 HA LYS A 65 -12.756 -7.794 -10.509 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -13.440 -8.483 -13.419 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -12.753 -9.669 -12.328 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -14.690 -9.023 -10.690 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -15.426 -8.224 -12.066 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -14.753 -10.650 -13.201 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -15.056 -11.148 -11.548 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -17.337 -10.633 -11.669 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -17.078 -9.239 -12.699 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -18.032 -11.098 -13.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -16.473 -10.741 -14.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -16.724 -12.092 -13.537 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.324 -7.808 -10.953 1.00 1.00 N ATOM 1049 CA VAL A 66 -8.859 -7.754 -11.226 1.00 1.00 C ATOM 1050 C VAL A 66 -8.339 -9.127 -11.656 1.00 1.00 C ATOM 1051 O VAL A 66 -8.596 -10.129 -11.019 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.228 -7.338 -9.897 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -8.058 -5.818 -9.865 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -9.139 -7.772 -8.747 1.00 1.00 C ATOM 0 H VAL A 66 -10.579 -8.022 -9.989 1.00 1.00 H new ATOM 0 HA VAL A 66 -8.619 -7.062 -12.033 1.00 1.00 H new ATOM 0 HB VAL A 66 -7.253 -7.814 -9.792 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -7.608 -5.522 -8.917 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -7.412 -5.507 -10.686 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -9.032 -5.341 -9.969 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -8.692 -7.477 -7.798 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -10.113 -7.294 -8.854 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -9.262 -8.855 -8.769 1.00 1.00 H new ATOM 1064 N GLN A 67 -7.602 -9.176 -12.733 1.00 1.00 N ATOM 1065 CA GLN A 67 -7.057 -10.480 -13.208 1.00 1.00 C ATOM 1066 C GLN A 67 -5.648 -10.284 -13.776 1.00 1.00 C ATOM 1067 O GLN A 67 -5.317 -9.232 -14.286 1.00 1.00 O ATOM 1068 CB GLN A 67 -8.020 -10.936 -14.305 1.00 1.00 C ATOM 1069 CG GLN A 67 -9.426 -10.419 -13.999 1.00 1.00 C ATOM 1070 CD GLN A 67 -10.054 -11.267 -12.892 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -9.921 -12.475 -12.887 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -10.737 -10.683 -11.946 1.00 1.00 N ATOM 0 H GLN A 67 -7.354 -8.369 -13.305 1.00 1.00 H new ATOM 0 HA GLN A 67 -6.978 -11.214 -12.406 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -7.687 -10.563 -15.274 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -8.027 -12.024 -14.368 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -9.381 -9.375 -13.690 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -10.043 -10.460 -14.897 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -10.849 -9.669 -11.949 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -11.159 -11.240 -11.203 1.00 1.00 H new ATOM 1081 N GLY A 68 -4.818 -11.286 -13.692 1.00 1.00 N ATOM 1082 CA GLY A 68 -3.434 -11.153 -14.229 1.00 1.00 C ATOM 1083 C GLY A 68 -2.488 -10.708 -13.112 1.00 1.00 C ATOM 1084 O GLY A 68 -1.291 -10.621 -13.299 1.00 1.00 O ATOM 0 H GLY A 68 -5.037 -12.191 -13.275 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -3.101 -12.105 -14.643 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -3.417 -10.428 -15.043 1.00 1.00 H new ATOM 1088 N GLY A 69 -3.014 -10.425 -11.951 1.00 1.00 N ATOM 1089 CA GLY A 69 -2.140 -9.989 -10.825 1.00 1.00 C ATOM 1090 C GLY A 69 -2.222 -8.469 -10.666 1.00 1.00 C ATOM 1091 O GLY A 69 -1.552 -7.886 -9.837 1.00 1.00 O ATOM 0 H GLY A 69 -4.009 -10.477 -11.734 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.450 -10.478 -9.901 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -1.109 -10.289 -11.015 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.040 -7.822 -11.451 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.164 -6.341 -11.337 1.00 1.00 C ATOM 1097 C PHE A 70 -4.427 -5.978 -10.551 1.00 1.00 C ATOM 1098 O PHE A 70 -5.438 -5.612 -11.118 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.267 -5.842 -12.779 1.00 1.00 C ATOM 1100 CG PHE A 70 -2.491 -6.764 -13.687 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -1.094 -6.824 -13.598 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -3.167 -7.562 -14.618 1.00 1.00 C ATOM 1103 CE1 PHE A 70 -0.375 -7.681 -14.439 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -2.447 -8.418 -15.461 1.00 1.00 C ATOM 1105 CZ PHE A 70 -1.051 -8.477 -15.371 1.00 1.00 C ATOM 0 H PHE A 70 -3.627 -8.254 -12.165 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.322 -5.893 -10.810 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -4.312 -5.804 -13.088 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -2.876 -4.827 -12.853 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -0.572 -6.209 -12.880 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -4.244 -7.517 -14.686 1.00 1.00 H new ATOM 0 HE1 PHE A 70 0.702 -7.728 -14.369 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -2.968 -9.032 -16.180 1.00 1.00 H new ATOM 0 HZ PHE A 70 -0.496 -9.137 -16.021 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.377 -6.078 -9.251 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.576 -5.742 -8.433 1.00 1.00 C ATOM 1117 C GLY A 71 -6.402 -7.008 -8.200 1.00 1.00 C ATOM 1118 O GLY A 71 -7.590 -6.951 -7.945 1.00 1.00 O ATOM 0 H GLY A 71 -3.559 -6.377 -8.721 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -5.270 -5.313 -7.479 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -6.178 -4.990 -8.942 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.780 -8.154 -8.279 1.00 1.00 N ATOM 1123 CA LYS A 72 -6.535 -9.421 -8.068 1.00 1.00 C ATOM 1124 C LYS A 72 -6.875 -9.572 -6.589 1.00 1.00 C ATOM 1125 O LYS A 72 -7.714 -10.366 -6.211 1.00 1.00 O ATOM 1126 CB LYS A 72 -5.582 -10.531 -8.516 1.00 1.00 C ATOM 1127 CG LYS A 72 -5.484 -11.594 -7.418 1.00 1.00 C ATOM 1128 CD LYS A 72 -4.832 -10.986 -6.174 1.00 1.00 C ATOM 1129 CE LYS A 72 -3.312 -10.969 -6.351 1.00 1.00 C ATOM 1130 NZ LYS A 72 -3.097 -10.715 -7.802 1.00 1.00 N ATOM 0 H LYS A 72 -4.786 -8.267 -8.480 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.473 -9.448 -8.622 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -5.941 -10.981 -9.442 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -4.596 -10.116 -8.724 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -6.477 -11.972 -7.173 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -4.898 -12.443 -7.770 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -5.202 -9.973 -6.015 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -5.099 -11.565 -5.290 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -2.852 -10.191 -5.742 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -2.868 -11.917 -6.046 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -2.087 -10.538 -7.978 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -3.403 -11.545 -8.349 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -3.650 -9.884 -8.095 1.00 1.00 H new ATOM 1143 N TYR A 73 -6.250 -8.795 -5.752 1.00 1.00 N ATOM 1144 CA TYR A 73 -6.563 -8.871 -4.302 1.00 1.00 C ATOM 1145 C TYR A 73 -7.846 -8.085 -4.033 1.00 1.00 C ATOM 1146 O TYR A 73 -8.540 -8.317 -3.064 1.00 1.00 O ATOM 1147 CB TYR A 73 -5.369 -8.223 -3.599 1.00 1.00 C ATOM 1148 CG TYR A 73 -4.623 -9.271 -2.807 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -3.707 -10.112 -3.450 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -4.846 -9.400 -1.432 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -3.015 -11.084 -2.717 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -4.153 -10.372 -0.698 1.00 1.00 C ATOM 1153 CZ TYR A 73 -3.239 -11.213 -1.341 1.00 1.00 C ATOM 1154 OH TYR A 73 -2.556 -12.171 -0.619 1.00 1.00 O ATOM 0 H TYR A 73 -5.537 -8.112 -6.009 1.00 1.00 H new ATOM 0 HA TYR A 73 -6.720 -9.891 -3.951 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -4.706 -7.765 -4.333 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -5.711 -7.427 -2.938 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -3.534 -10.011 -4.511 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -5.552 -8.751 -0.936 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -2.309 -11.734 -3.213 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -4.325 -10.472 0.364 1.00 1.00 H new ATOM 0 HH TYR A 73 -2.827 -12.126 0.322 1.00 1.00 H new ATOM 1164 N GLN A 74 -8.167 -7.157 -4.899 1.00 1.00 N ATOM 1165 CA GLN A 74 -9.410 -6.358 -4.707 1.00 1.00 C ATOM 1166 C GLN A 74 -10.564 -6.993 -5.485 1.00 1.00 C ATOM 1167 O GLN A 74 -11.665 -7.132 -4.986 1.00 1.00 O ATOM 1168 CB GLN A 74 -9.083 -4.974 -5.269 1.00 1.00 C ATOM 1169 CG GLN A 74 -7.821 -4.433 -4.595 1.00 1.00 C ATOM 1170 CD GLN A 74 -6.867 -5.590 -4.294 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -7.061 -6.320 -3.342 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -5.837 -5.789 -5.069 1.00 1.00 N ATOM 0 H GLN A 74 -7.622 -6.920 -5.728 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.715 -6.310 -3.662 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -8.935 -5.034 -6.347 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -9.918 -4.295 -5.099 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -7.333 -3.705 -5.243 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.082 -3.914 -3.673 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -5.674 -5.176 -5.868 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -5.194 -6.557 -4.876 1.00 1.00 H new ATOM 1181 N GLY A 75 -10.325 -7.373 -6.711 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.411 -7.991 -7.517 1.00 1.00 C ATOM 1183 C GLY A 75 -12.403 -6.904 -7.915 1.00 1.00 C ATOM 1184 O GLY A 75 -12.249 -6.252 -8.925 1.00 1.00 O ATOM 0 H GLY A 75 -9.427 -7.282 -7.186 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -10.997 -8.469 -8.405 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -11.913 -8.769 -6.941 1.00 1.00 H new ATOM 1188 N THR A 76 -13.415 -6.696 -7.119 1.00 1.00 N ATOM 1189 CA THR A 76 -14.414 -5.640 -7.443 1.00 1.00 C ATOM 1190 C THR A 76 -14.126 -4.384 -6.617 1.00 1.00 C ATOM 1191 O THR A 76 -14.843 -4.058 -5.692 1.00 1.00 O ATOM 1192 CB THR A 76 -15.767 -6.240 -7.057 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.622 -7.640 -6.859 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.780 -5.983 -8.175 1.00 1.00 C ATOM 0 H THR A 76 -13.593 -7.212 -6.258 1.00 1.00 H new ATOM 0 HA THR A 76 -14.387 -5.348 -8.493 1.00 1.00 H new ATOM 0 HB THR A 76 -16.121 -5.776 -6.136 1.00 1.00 H new ATOM 0 HG1 THR A 76 -16.499 -8.073 -6.927 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.743 -6.411 -7.898 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.890 -4.909 -8.326 1.00 1.00 H new ATOM 0 HG23 THR A 76 -16.429 -6.445 -9.097 1.00 1.00 H new ATOM 1202 N TRP A 77 -13.075 -3.682 -6.940 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.734 -2.453 -6.170 1.00 1.00 C ATOM 1204 C TRP A 77 -13.665 -1.303 -6.557 1.00 1.00 C ATOM 1205 O TRP A 77 -14.307 -1.328 -7.587 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.292 -2.124 -6.559 1.00 1.00 C ATOM 1207 CG TRP A 77 -11.043 -2.559 -7.967 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -12.006 -2.840 -8.874 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.770 -2.764 -8.645 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.405 -3.207 -10.066 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -10.028 -3.175 -9.974 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.429 -2.635 -8.239 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -8.994 -3.449 -10.869 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.385 -2.910 -9.138 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -7.667 -3.316 -10.449 1.00 1.00 C ATOM 0 H TRP A 77 -12.438 -3.906 -7.704 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.844 -2.602 -5.096 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.113 -1.053 -6.461 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.599 -2.626 -5.884 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -13.070 -2.787 -8.697 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -11.917 -3.469 -10.909 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.201 -2.323 -7.231 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -9.217 -3.761 -11.879 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.359 -2.808 -8.817 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -6.860 -3.526 -11.135 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.733 -0.292 -5.738 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.611 0.869 -6.052 1.00 1.00 C ATOM 1228 C VAL A 78 -13.912 2.168 -5.643 1.00 1.00 C ATOM 1229 O VAL A 78 -12.917 2.143 -4.946 1.00 1.00 O ATOM 1230 CB VAL A 78 -15.873 0.651 -5.219 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -17.064 0.414 -6.149 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.683 -0.569 -4.315 1.00 1.00 C ATOM 0 H VAL A 78 -13.217 -0.219 -4.861 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.840 0.946 -7.115 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.060 1.533 -4.606 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -17.964 0.258 -5.555 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.200 1.282 -6.794 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.877 -0.468 -6.762 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.583 -0.725 -3.720 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.496 -1.451 -4.928 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.834 -0.402 -3.652 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.459 3.264 -6.088 1.00 1.00 N ATOM 1243 CA PRO A 79 -13.877 4.587 -5.758 1.00 1.00 C ATOM 1244 C PRO A 79 -13.833 4.771 -4.239 1.00 1.00 C ATOM 1245 O PRO A 79 -14.853 4.884 -3.589 1.00 1.00 O ATOM 1246 CB PRO A 79 -14.833 5.594 -6.403 1.00 1.00 C ATOM 1247 CG PRO A 79 -16.059 4.817 -6.777 1.00 1.00 C ATOM 1248 CD PRO A 79 -15.652 3.377 -6.926 1.00 1.00 C ATOM 0 HA PRO A 79 -12.855 4.705 -6.118 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -15.077 6.399 -5.710 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -14.380 6.055 -7.281 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -16.828 4.921 -6.011 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -16.483 5.194 -7.708 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.440 2.702 -6.593 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.436 3.128 -7.965 1.00 1.00 H new ATOM 1256 N LEU A 80 -12.660 4.799 -3.666 1.00 1.00 N ATOM 1257 CA LEU A 80 -12.556 4.971 -2.189 1.00 1.00 C ATOM 1258 C LEU A 80 -13.410 6.155 -1.729 1.00 1.00 C ATOM 1259 O LEU A 80 -13.898 6.183 -0.615 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.076 5.243 -1.925 1.00 1.00 C ATOM 1261 CG LEU A 80 -10.904 6.669 -1.399 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -10.113 6.639 -0.090 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -10.144 7.504 -2.432 1.00 1.00 C ATOM 0 H LEU A 80 -11.770 4.710 -4.157 1.00 1.00 H new ATOM 0 HA LEU A 80 -12.913 4.095 -1.647 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -10.688 4.528 -1.200 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -10.502 5.111 -2.842 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.884 7.111 -1.221 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -9.991 7.655 0.285 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -10.651 6.043 0.647 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -9.132 6.197 -0.267 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -10.021 8.521 -2.059 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -9.164 7.061 -2.608 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -10.705 7.526 -3.366 1.00 1.00 H new ATOM 1275 N ASN A 81 -13.607 7.128 -2.579 1.00 1.00 N ATOM 1276 CA ASN A 81 -14.439 8.301 -2.187 1.00 1.00 C ATOM 1277 C ASN A 81 -15.879 7.849 -1.942 1.00 1.00 C ATOM 1278 O ASN A 81 -16.582 8.390 -1.112 1.00 1.00 O ATOM 1279 CB ASN A 81 -14.370 9.254 -3.381 1.00 1.00 C ATOM 1280 CG ASN A 81 -15.073 8.620 -4.582 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -15.558 7.508 -4.499 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -15.149 9.281 -5.704 1.00 1.00 N ATOM 0 H ASN A 81 -13.228 7.160 -3.526 1.00 1.00 H new ATOM 0 HA ASN A 81 -14.088 8.777 -1.271 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -14.842 10.204 -3.129 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -13.330 9.470 -3.627 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -15.615 8.865 -6.510 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -14.743 10.214 -5.775 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.314 6.848 -2.655 1.00 1.00 N ATOM 1290 CA ILE A 82 -17.700 6.338 -2.465 1.00 1.00 C ATOM 1291 C ILE A 82 -17.649 4.992 -1.744 1.00 1.00 C ATOM 1292 O ILE A 82 -18.534 4.642 -0.988 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.261 6.175 -3.878 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -18.328 7.544 -4.560 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -19.667 5.576 -3.802 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -19.573 7.612 -5.446 1.00 1.00 C ATOM 0 H ILE A 82 -15.767 6.359 -3.364 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.318 7.006 -1.865 1.00 1.00 H new ATOM 0 HB ILE A 82 -17.613 5.513 -4.452 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -18.359 8.335 -3.810 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -17.433 7.708 -5.160 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -20.068 5.459 -4.809 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -19.622 4.602 -3.314 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -20.314 6.239 -3.228 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -19.621 8.587 -5.932 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -19.523 6.831 -6.204 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -20.463 7.467 -4.834 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.609 4.235 -1.971 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.489 2.913 -1.298 1.00 1.00 C ATOM 1310 C ALA A 83 -16.372 3.108 0.214 1.00 1.00 C ATOM 1311 O ALA A 83 -17.171 2.600 0.977 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.210 2.294 -1.862 1.00 1.00 C ATOM 0 H ALA A 83 -15.838 4.477 -2.594 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.356 2.276 -1.473 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -15.052 1.314 -1.413 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.303 2.187 -2.943 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.362 2.939 -1.633 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.383 3.837 0.660 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.225 4.054 2.125 1.00 1.00 C ATOM 1320 C LYS A 84 -16.503 4.656 2.711 1.00 1.00 C ATOM 1321 O LYS A 84 -16.865 4.391 3.839 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.061 5.036 2.257 1.00 1.00 C ATOM 1323 CG LYS A 84 -14.487 6.408 1.733 1.00 1.00 C ATOM 1324 CD LYS A 84 -14.754 7.345 2.913 1.00 1.00 C ATOM 1325 CE LYS A 84 -14.289 8.759 2.557 1.00 1.00 C ATOM 1326 NZ LYS A 84 -14.910 9.638 3.587 1.00 1.00 N ATOM 0 H LYS A 84 -14.681 4.289 0.074 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.037 3.124 2.662 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -13.753 5.113 3.300 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.200 4.673 1.696 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -13.707 6.823 1.094 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -15.384 6.313 1.120 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -15.817 7.350 3.154 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -14.228 6.990 3.799 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -13.202 8.834 2.577 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -14.609 9.039 1.553 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -14.637 10.626 3.410 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -15.945 9.551 3.540 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -14.581 9.352 4.531 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.198 5.460 1.953 1.00 1.00 N ATOM 1340 CA GLN A 85 -18.455 6.066 2.477 1.00 1.00 C ATOM 1341 C GLN A 85 -19.536 4.990 2.590 1.00 1.00 C ATOM 1342 O GLN A 85 -20.427 5.073 3.412 1.00 1.00 O ATOM 1343 CB GLN A 85 -18.848 7.125 1.447 1.00 1.00 C ATOM 1344 CG GLN A 85 -20.355 7.052 1.189 1.00 1.00 C ATOM 1345 CD GLN A 85 -20.707 7.905 -0.031 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -21.719 7.688 -0.667 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -19.908 8.874 -0.387 1.00 1.00 N ATOM 0 H GLN A 85 -16.952 5.722 0.999 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.329 6.501 3.469 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.578 8.117 1.809 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -18.301 6.965 0.518 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -20.656 6.018 1.022 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -20.902 7.406 2.063 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -19.058 9.056 0.147 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -20.134 9.449 -1.199 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.456 3.977 1.774 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.470 2.887 1.839 1.00 1.00 C ATOM 1358 C LEU A 86 -20.057 1.861 2.897 1.00 1.00 C ATOM 1359 O LEU A 86 -20.865 1.391 3.672 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.465 2.258 0.448 1.00 1.00 C ATOM 1361 CG LEU A 86 -21.371 1.026 0.440 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -22.058 0.906 -0.920 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -20.530 -0.226 0.698 1.00 1.00 C ATOM 0 H LEU A 86 -18.733 3.856 1.065 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.460 3.251 2.113 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -20.811 2.981 -0.291 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -19.450 1.977 0.168 1.00 1.00 H new ATOM 0 HG LEU A 86 -22.126 1.125 1.220 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -22.704 0.028 -0.925 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -22.657 1.798 -1.105 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -21.304 0.807 -1.701 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -21.175 -1.105 0.693 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -19.775 -0.325 -0.082 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -20.040 -0.142 1.668 1.00 1.00 H new ATOM 1375 N ALA A 87 -18.800 1.511 2.930 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.327 0.515 3.932 1.00 1.00 C ATOM 1377 C ALA A 87 -17.971 1.208 5.251 1.00 1.00 C ATOM 1378 O ALA A 87 -18.522 0.904 6.290 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.084 -0.116 3.306 1.00 1.00 C ATOM 0 H ALA A 87 -18.079 1.873 2.305 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.091 -0.227 4.164 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -16.674 -0.864 3.985 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -17.353 -0.591 2.363 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.337 0.656 3.123 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.049 2.132 5.221 1.00 1.00 N ATOM 1386 CA GLU A 88 -16.654 2.835 6.472 1.00 1.00 C ATOM 1387 C GLU A 88 -17.866 3.022 7.385 1.00 1.00 C ATOM 1388 O GLU A 88 -17.735 3.144 8.587 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.116 4.182 6.005 1.00 1.00 C ATOM 1390 CG GLU A 88 -17.169 5.267 6.238 1.00 1.00 C ATOM 1391 CD GLU A 88 -16.503 6.644 6.192 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -15.468 6.801 6.818 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -17.039 7.517 5.530 1.00 1.00 O ATOM 0 H GLU A 88 -16.552 2.430 4.381 1.00 1.00 H new ATOM 0 HA GLU A 88 -15.916 2.276 7.047 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.202 4.427 6.546 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -15.857 4.134 4.947 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -17.947 5.202 5.478 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -17.653 5.118 7.203 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.046 3.029 6.831 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.260 3.188 7.675 1.00 1.00 C ATOM 1402 C LYS A 89 -20.462 1.937 8.531 1.00 1.00 C ATOM 1403 O LYS A 89 -19.837 1.765 9.559 1.00 1.00 O ATOM 1404 CB LYS A 89 -21.414 3.357 6.687 1.00 1.00 C ATOM 1405 CG LYS A 89 -22.132 4.680 6.957 1.00 1.00 C ATOM 1406 CD LYS A 89 -22.473 5.358 5.629 1.00 1.00 C ATOM 1407 CE LYS A 89 -23.954 5.143 5.312 1.00 1.00 C ATOM 1408 NZ LYS A 89 -24.685 5.793 6.436 1.00 1.00 N ATOM 0 H LYS A 89 -19.221 2.931 5.831 1.00 1.00 H new ATOM 0 HA LYS A 89 -20.186 4.036 8.356 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -21.036 3.339 5.665 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -22.113 2.526 6.783 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -23.042 4.501 7.530 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -21.499 5.333 7.558 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -22.253 6.424 5.686 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -21.856 4.948 4.830 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -24.222 5.591 4.355 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -24.194 4.082 5.246 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -25.491 6.332 6.060 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -25.032 5.064 7.092 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -24.043 6.437 6.941 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.328 1.059 8.106 1.00 1.00 N ATOM 1422 CA PHE A 90 -21.571 -0.191 8.882 1.00 1.00 C ATOM 1423 C PHE A 90 -21.010 -1.398 8.124 1.00 1.00 C ATOM 1424 O PHE A 90 -21.120 -2.526 8.563 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.091 -0.293 9.004 1.00 1.00 C ATOM 1426 CG PHE A 90 -23.460 -0.629 10.428 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -22.480 -1.095 11.314 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -24.781 -0.475 10.865 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -22.822 -1.407 12.635 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -25.123 -0.787 12.186 1.00 1.00 C ATOM 1431 CZ PHE A 90 -24.144 -1.253 13.071 1.00 1.00 C ATOM 0 H PHE A 90 -21.879 1.153 7.253 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.086 -0.174 9.858 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -23.554 0.649 8.710 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -23.470 -1.060 8.328 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -21.461 -1.214 10.978 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -25.537 -0.115 10.182 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -22.067 -1.766 13.318 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -26.142 -0.668 12.522 1.00 1.00 H new ATOM 0 HZ PHE A 90 -24.408 -1.494 14.090 1.00 1.00 H new ATOM 1441 N SER A 91 -20.415 -1.170 6.985 1.00 1.00 N ATOM 1442 CA SER A 91 -19.854 -2.299 6.194 1.00 1.00 C ATOM 1443 C SER A 91 -18.564 -2.816 6.836 1.00 1.00 C ATOM 1444 O SER A 91 -18.546 -3.859 7.459 1.00 1.00 O ATOM 1445 CB SER A 91 -19.566 -1.712 4.813 1.00 1.00 C ATOM 1446 OG SER A 91 -20.500 -0.674 4.542 1.00 1.00 O ATOM 0 H SER A 91 -20.294 -0.247 6.568 1.00 1.00 H new ATOM 0 HA SER A 91 -20.541 -3.144 6.145 1.00 1.00 H new ATOM 0 HB2 SER A 91 -18.549 -1.321 4.776 1.00 1.00 H new ATOM 0 HB3 SER A 91 -19.637 -2.489 4.052 1.00 1.00 H new ATOM 0 HG SER A 91 -20.910 -0.824 3.665 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.486 -2.093 6.693 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.201 -2.544 7.300 1.00 1.00 C ATOM 1454 C VAL A 92 -15.708 -1.505 8.311 1.00 1.00 C ATOM 1455 O VAL A 92 -14.597 -1.570 8.796 1.00 1.00 O ATOM 1456 CB VAL A 92 -15.227 -2.657 6.127 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -15.122 -4.119 5.690 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -15.740 -1.813 4.958 1.00 1.00 C ATOM 0 H VAL A 92 -17.440 -1.211 6.183 1.00 1.00 H new ATOM 0 HA VAL A 92 -16.302 -3.488 7.835 1.00 1.00 H new ATOM 0 HB VAL A 92 -14.245 -2.298 6.434 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -14.428 -4.200 4.854 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -14.759 -4.722 6.522 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -16.104 -4.478 5.382 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -15.047 -1.892 4.120 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -16.722 -2.174 4.652 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -15.817 -0.771 5.268 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.534 -0.546 8.632 1.00 1.00 N ATOM 1469 CA TYR A 93 -16.124 0.500 9.613 1.00 1.00 C ATOM 1470 C TYR A 93 -15.275 -0.120 10.726 1.00 1.00 C ATOM 1471 O TYR A 93 -14.434 0.530 11.313 1.00 1.00 O ATOM 1472 CB TYR A 93 -17.435 1.047 10.177 1.00 1.00 C ATOM 1473 CG TYR A 93 -17.754 0.352 11.479 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -17.215 0.832 12.678 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -18.588 -0.772 11.486 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -17.512 0.187 13.885 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -18.884 -1.417 12.693 1.00 1.00 C ATOM 1478 CZ TYR A 93 -18.346 -0.937 13.892 1.00 1.00 C ATOM 1479 OH TYR A 93 -18.638 -1.574 15.082 1.00 1.00 O ATOM 0 H TYR A 93 -17.477 -0.442 8.257 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.519 1.283 9.155 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -17.353 2.122 10.337 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -18.243 0.892 9.462 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -16.571 1.699 12.672 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -19.003 -1.142 10.560 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -17.097 0.557 14.811 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -19.527 -2.285 12.698 1.00 1.00 H new ATOM 0 HH TYR A 93 -19.231 -2.335 14.909 1.00 1.00 H new ATOM 1489 N ASP A 94 -15.488 -1.373 11.016 1.00 1.00 N ATOM 1490 CA ASP A 94 -14.690 -2.036 12.086 1.00 1.00 C ATOM 1491 C ASP A 94 -13.429 -2.667 11.489 1.00 1.00 C ATOM 1492 O ASP A 94 -12.320 -2.344 11.868 1.00 1.00 O ATOM 1493 CB ASP A 94 -15.612 -3.115 12.658 1.00 1.00 C ATOM 1494 CG ASP A 94 -15.475 -4.394 11.831 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -15.528 -4.300 10.616 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -15.319 -5.447 12.428 1.00 1.00 O ATOM 0 H ASP A 94 -16.180 -1.967 10.559 1.00 1.00 H new ATOM 0 HA ASP A 94 -14.362 -1.334 12.852 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -15.356 -3.313 13.699 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -16.646 -2.770 12.645 1.00 1.00 H new ATOM 1501 N GLN A 95 -13.592 -3.565 10.557 1.00 1.00 N ATOM 1502 CA GLN A 95 -12.406 -4.220 9.934 1.00 1.00 C ATOM 1503 C GLN A 95 -11.407 -3.166 9.445 1.00 1.00 C ATOM 1504 O GLN A 95 -10.226 -3.247 9.711 1.00 1.00 O ATOM 1505 CB GLN A 95 -12.968 -5.011 8.755 1.00 1.00 C ATOM 1506 CG GLN A 95 -13.138 -6.477 9.158 1.00 1.00 C ATOM 1507 CD GLN A 95 -14.602 -6.887 8.983 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -15.098 -6.955 7.876 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -15.320 -7.165 10.036 1.00 1.00 N ATOM 0 H GLN A 95 -14.496 -3.874 10.199 1.00 1.00 H new ATOM 0 HA GLN A 95 -11.871 -4.857 10.638 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -13.927 -4.594 8.448 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -12.298 -4.934 7.899 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -12.496 -7.110 8.546 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -12.831 -6.619 10.194 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -14.905 -7.108 10.966 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -16.297 -7.439 9.929 1.00 1.00 H new ATOM 1518 N LEU A 96 -11.873 -2.178 8.729 1.00 1.00 N ATOM 1519 CA LEU A 96 -10.947 -1.123 8.223 1.00 1.00 C ATOM 1520 C LEU A 96 -10.643 -0.107 9.328 1.00 1.00 C ATOM 1521 O LEU A 96 -10.532 1.077 9.081 1.00 1.00 O ATOM 1522 CB LEU A 96 -11.699 -0.453 7.073 1.00 1.00 C ATOM 1523 CG LEU A 96 -12.836 -1.362 6.609 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -13.034 -1.204 5.100 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -12.487 -2.817 6.927 1.00 1.00 C ATOM 0 H LEU A 96 -12.853 -2.056 8.473 1.00 1.00 H new ATOM 0 HA LEU A 96 -9.991 -1.536 7.901 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -12.097 0.509 7.396 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.018 -0.254 6.246 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.755 -1.086 7.126 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -13.845 -1.853 4.770 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -13.283 -0.167 4.872 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -12.115 -1.479 4.582 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -13.298 -3.466 6.596 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -11.568 -3.092 6.410 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -12.346 -2.931 8.002 1.00 1.00 H new ATOM 1537 N LYS A 97 -10.507 -0.560 10.545 1.00 1.00 N ATOM 1538 CA LYS A 97 -10.211 0.385 11.659 1.00 1.00 C ATOM 1539 C LYS A 97 -8.990 1.242 11.314 1.00 1.00 C ATOM 1540 O LYS A 97 -9.076 2.452 11.263 1.00 1.00 O ATOM 1541 CB LYS A 97 -9.919 -0.506 12.867 1.00 1.00 C ATOM 1542 CG LYS A 97 -11.050 -0.370 13.888 1.00 1.00 C ATOM 1543 CD LYS A 97 -10.556 -0.830 15.261 1.00 1.00 C ATOM 1544 CE LYS A 97 -11.691 -0.705 16.280 1.00 1.00 C ATOM 1545 NZ LYS A 97 -12.905 -0.408 15.469 1.00 1.00 N ATOM 0 H LYS A 97 -10.588 -1.540 10.815 1.00 1.00 H new ATOM 0 HA LYS A 97 -11.036 1.071 11.850 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -9.823 -1.545 12.551 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -8.969 -0.222 13.321 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -11.386 0.666 13.939 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -11.907 -0.968 13.579 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -10.212 -1.863 15.208 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -9.704 -0.226 15.574 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -11.813 -1.626 16.850 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -11.491 0.091 16.998 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -13.724 -0.291 16.100 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -12.756 0.468 14.929 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -13.084 -1.194 14.811 1.00 1.00 H new ATOM 1558 N PRO A 98 -7.888 0.580 11.084 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.634 1.292 10.736 1.00 1.00 C ATOM 1560 C PRO A 98 -6.725 1.861 9.316 1.00 1.00 C ATOM 1561 O PRO A 98 -6.624 3.055 9.106 1.00 1.00 O ATOM 1562 CB PRO A 98 -5.565 0.205 10.814 1.00 1.00 C ATOM 1563 CG PRO A 98 -6.299 -1.089 10.647 1.00 1.00 C ATOM 1564 CD PRO A 98 -7.710 -0.874 11.130 1.00 1.00 C ATOM 0 HA PRO A 98 -6.424 2.135 11.394 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -4.815 0.335 10.033 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -5.040 0.238 11.769 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -6.294 -1.400 9.602 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -5.815 -1.881 11.218 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -8.432 -1.384 10.492 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -7.849 -1.260 12.140 1.00 1.00 H new ATOM 1572 N LEU A 99 -6.919 1.015 8.340 1.00 1.00 N ATOM 1573 CA LEU A 99 -7.023 1.509 6.937 1.00 1.00 C ATOM 1574 C LEU A 99 -7.886 2.771 6.892 1.00 1.00 C ATOM 1575 O LEU A 99 -7.558 3.736 6.230 1.00 1.00 O ATOM 1576 CB LEU A 99 -7.690 0.371 6.165 1.00 1.00 C ATOM 1577 CG LEU A 99 -8.986 0.877 5.529 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -8.671 2.035 4.581 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -9.644 -0.259 4.742 1.00 1.00 C ATOM 0 H LEU A 99 -7.010 0.005 8.453 1.00 1.00 H new ATOM 0 HA LEU A 99 -6.053 1.770 6.514 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -7.016 -0.004 5.394 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -7.902 -0.462 6.835 1.00 1.00 H new ATOM 0 HG LEU A 99 -9.664 1.220 6.310 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -9.594 2.396 4.128 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -8.200 2.844 5.139 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -7.993 1.691 3.799 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -10.568 0.100 4.288 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -8.965 -0.601 3.961 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -9.868 -1.086 5.416 1.00 1.00 H new ATOM 1591 N PHE A 100 -8.984 2.773 7.597 1.00 1.00 N ATOM 1592 CA PHE A 100 -9.864 3.974 7.602 1.00 1.00 C ATOM 1593 C PHE A 100 -9.275 5.047 8.520 1.00 1.00 C ATOM 1594 O PHE A 100 -9.490 6.228 8.332 1.00 1.00 O ATOM 1595 CB PHE A 100 -11.206 3.482 8.145 1.00 1.00 C ATOM 1596 CG PHE A 100 -12.059 2.982 7.004 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -11.857 3.475 5.710 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -13.053 2.024 7.240 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -12.648 3.011 4.651 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -13.844 1.561 6.182 1.00 1.00 C ATOM 1601 CZ PHE A 100 -13.642 2.054 4.888 1.00 1.00 C ATOM 0 H PHE A 100 -9.309 1.994 8.170 1.00 1.00 H new ATOM 0 HA PHE A 100 -9.966 4.418 6.612 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -11.046 2.684 8.870 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -11.717 4.290 8.668 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -11.091 4.214 5.528 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -13.209 1.642 8.238 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -12.491 3.391 3.652 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -14.611 0.823 6.365 1.00 1.00 H new ATOM 0 HZ PHE A 100 -14.253 1.696 4.072 1.00 1.00 H new ATOM 1611 N ASP A 101 -8.527 4.643 9.510 1.00 1.00 N ATOM 1612 CA ASP A 101 -7.918 5.636 10.440 1.00 1.00 C ATOM 1613 C ASP A 101 -6.847 6.449 9.711 1.00 1.00 C ATOM 1614 O ASP A 101 -6.437 7.500 10.161 1.00 1.00 O ATOM 1615 CB ASP A 101 -7.290 4.801 11.557 1.00 1.00 C ATOM 1616 CG ASP A 101 -8.392 4.258 12.470 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -9.301 5.009 12.779 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -8.306 3.100 12.845 1.00 1.00 O ATOM 0 H ASP A 101 -8.311 3.667 9.715 1.00 1.00 H new ATOM 0 HA ASP A 101 -8.650 6.345 10.826 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -6.717 3.977 11.131 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -6.593 5.410 12.133 1.00 1.00 H new ATOM 1623 N PHE A 102 -6.395 5.972 8.583 1.00 1.00 N ATOM 1624 CA PHE A 102 -5.355 6.725 7.823 1.00 1.00 C ATOM 1625 C PHE A 102 -4.772 5.853 6.708 1.00 1.00 C ATOM 1626 O PHE A 102 -4.111 4.865 6.959 1.00 1.00 O ATOM 1627 CB PHE A 102 -4.279 7.063 8.855 1.00 1.00 C ATOM 1628 CG PHE A 102 -3.204 7.901 8.206 1.00 1.00 C ATOM 1629 CD1 PHE A 102 -3.493 9.203 7.778 1.00 1.00 C ATOM 1630 CD2 PHE A 102 -1.918 7.377 8.030 1.00 1.00 C ATOM 1631 CE1 PHE A 102 -2.497 9.980 7.177 1.00 1.00 C ATOM 1632 CE2 PHE A 102 -0.922 8.154 7.428 1.00 1.00 C ATOM 1633 CZ PHE A 102 -1.210 9.455 7.000 1.00 1.00 C ATOM 0 H PHE A 102 -6.699 5.097 8.156 1.00 1.00 H new ATOM 0 HA PHE A 102 -5.760 7.617 7.346 1.00 1.00 H new ATOM 0 HB2 PHE A 102 -4.720 7.604 9.692 1.00 1.00 H new ATOM 0 HB3 PHE A 102 -3.847 6.147 9.259 1.00 1.00 H new ATOM 0 HD1 PHE A 102 -4.485 9.607 7.912 1.00 1.00 H new ATOM 0 HD2 PHE A 102 -1.694 6.373 8.359 1.00 1.00 H new ATOM 0 HE1 PHE A 102 -2.720 10.985 6.849 1.00 1.00 H new ATOM 0 HE2 PHE A 102 0.070 7.749 7.293 1.00 1.00 H new ATOM 0 HZ PHE A 102 -0.441 10.054 6.534 1.00 1.00 H new ATOM 1643 N THR A 103 -5.003 6.219 5.477 1.00 1.00 N ATOM 1644 CA THR A 103 -4.454 5.421 4.344 1.00 1.00 C ATOM 1645 C THR A 103 -3.965 6.354 3.240 1.00 1.00 C ATOM 1646 O THR A 103 -3.195 5.976 2.378 1.00 1.00 O ATOM 1647 CB THR A 103 -5.621 4.563 3.853 1.00 1.00 C ATOM 1648 OG1 THR A 103 -5.497 3.250 4.379 1.00 1.00 O ATOM 1649 CG2 THR A 103 -5.608 4.507 2.325 1.00 1.00 C ATOM 0 H THR A 103 -5.549 7.037 5.206 1.00 1.00 H new ATOM 0 HA THR A 103 -3.604 4.807 4.642 1.00 1.00 H new ATOM 0 HB THR A 103 -6.561 5.001 4.190 1.00 1.00 H new ATOM 0 HG1 THR A 103 -6.167 3.114 5.081 1.00 1.00 H new ATOM 0 HG21 THR A 103 -6.440 3.895 1.976 1.00 1.00 H new ATOM 0 HG22 THR A 103 -5.706 5.515 1.923 1.00 1.00 H new ATOM 0 HG23 THR A 103 -4.669 4.070 1.985 1.00 1.00 H new ATOM 1657 N GLN A 104 -4.410 7.573 3.266 1.00 1.00 N ATOM 1658 CA GLN A 104 -3.987 8.556 2.228 1.00 1.00 C ATOM 1659 C GLN A 104 -3.046 9.598 2.839 1.00 1.00 C ATOM 1660 O GLN A 104 -2.983 9.764 4.040 1.00 1.00 O ATOM 1661 CB GLN A 104 -5.283 9.215 1.755 1.00 1.00 C ATOM 1662 CG GLN A 104 -6.170 9.519 2.964 1.00 1.00 C ATOM 1663 CD GLN A 104 -7.274 10.496 2.555 1.00 1.00 C ATOM 1664 OE1 GLN A 104 -8.220 10.120 1.890 1.00 1.00 O ATOM 1665 NE2 GLN A 104 -7.194 11.744 2.926 1.00 1.00 N ATOM 0 H GLN A 104 -5.055 7.938 3.967 1.00 1.00 H new ATOM 0 HA GLN A 104 -3.447 8.084 1.407 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -5.060 10.134 1.214 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -5.807 8.556 1.062 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -6.609 8.598 3.347 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -5.572 9.946 3.769 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -6.401 12.060 3.484 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -7.925 12.403 2.658 1.00 1.00 H new ATOM 1674 N THR A 105 -2.313 10.301 2.019 1.00 1.00 N ATOM 1675 CA THR A 105 -1.377 11.333 2.554 1.00 1.00 C ATOM 1676 C THR A 105 -2.045 12.711 2.541 1.00 1.00 C ATOM 1677 O THR A 105 -2.963 12.960 1.785 1.00 1.00 O ATOM 1678 CB THR A 105 -0.179 11.308 1.603 1.00 1.00 C ATOM 1679 OG1 THR A 105 -0.254 12.419 0.720 1.00 1.00 O ATOM 1680 CG2 THR A 105 -0.193 10.009 0.796 1.00 1.00 C ATOM 0 H THR A 105 -2.321 10.206 1.003 1.00 1.00 H new ATOM 0 HA THR A 105 -1.085 11.133 3.585 1.00 1.00 H new ATOM 0 HB THR A 105 0.744 11.364 2.179 1.00 1.00 H new ATOM 0 HG1 THR A 105 0.636 12.815 0.616 1.00 1.00 H new ATOM 0 HG21 THR A 105 0.661 9.992 0.119 1.00 1.00 H new ATOM 0 HG22 THR A 105 -0.135 9.158 1.475 1.00 1.00 H new ATOM 0 HG23 THR A 105 -1.115 9.949 0.218 1.00 1.00 H new ATOM 1688 N ASP A 106 -1.591 13.608 3.373 1.00 1.00 N ATOM 1689 CA ASP A 106 -2.200 14.970 3.409 1.00 1.00 C ATOM 1690 C ASP A 106 -2.121 15.621 2.025 1.00 1.00 C ATOM 1691 O ASP A 106 -2.168 16.828 1.893 1.00 1.00 O ATOM 1692 CB ASP A 106 -1.360 15.752 4.418 1.00 1.00 C ATOM 1693 CG ASP A 106 -0.506 16.785 3.680 1.00 1.00 C ATOM 1694 OD1 ASP A 106 0.243 16.388 2.803 1.00 1.00 O ATOM 1695 OD2 ASP A 106 -0.617 17.956 4.004 1.00 1.00 O ATOM 0 H ASP A 106 -0.825 13.458 4.030 1.00 1.00 H new ATOM 0 HA ASP A 106 -3.253 14.945 3.688 1.00 1.00 H new ATOM 0 HB2 ASP A 106 -2.009 16.249 5.139 1.00 1.00 H new ATOM 0 HB3 ASP A 106 -0.721 15.071 4.980 1.00 1.00 H new ATOM 1700 N GLY A 107 -2.001 14.831 0.995 1.00 1.00 N ATOM 1701 CA GLY A 107 -1.916 15.402 -0.379 1.00 1.00 C ATOM 1702 C GLY A 107 -0.456 15.712 -0.713 1.00 1.00 C ATOM 1703 O GLY A 107 -0.103 15.935 -1.854 1.00 1.00 O ATOM 0 H GLY A 107 -1.958 13.813 1.045 1.00 1.00 H new ATOM 0 HA2 GLY A 107 -2.324 14.697 -1.103 1.00 1.00 H new ATOM 0 HA3 GLY A 107 -2.516 16.310 -0.445 1.00 1.00 H new ATOM 1707 N SER A 108 0.396 15.724 0.275 1.00 1.00 N ATOM 1708 CA SER A 108 1.836 16.013 0.015 1.00 1.00 C ATOM 1709 C SER A 108 2.589 14.711 -0.263 1.00 1.00 C ATOM 1710 O SER A 108 2.211 13.655 0.204 1.00 1.00 O ATOM 1711 CB SER A 108 2.348 16.667 1.297 1.00 1.00 C ATOM 1712 OG SER A 108 2.900 15.668 2.145 1.00 1.00 O ATOM 0 H SER A 108 0.158 15.546 1.251 1.00 1.00 H new ATOM 0 HA SER A 108 1.980 16.657 -0.853 1.00 1.00 H new ATOM 0 HB2 SER A 108 3.103 17.417 1.060 1.00 1.00 H new ATOM 0 HB3 SER A 108 1.534 17.183 1.806 1.00 1.00 H new ATOM 0 HG SER A 108 2.227 15.386 2.799 1.00 1.00 H new ATOM 1718 N ALA A 109 3.650 14.773 -1.020 1.00 1.00 N ATOM 1719 CA ALA A 109 4.417 13.529 -1.320 1.00 1.00 C ATOM 1720 C ALA A 109 4.314 12.556 -0.142 1.00 1.00 C ATOM 1721 O ALA A 109 4.793 12.825 0.941 1.00 1.00 O ATOM 1722 CB ALA A 109 5.862 13.991 -1.512 1.00 1.00 C ATOM 0 H ALA A 109 4.018 15.626 -1.442 1.00 1.00 H new ATOM 0 HA ALA A 109 4.039 13.008 -2.199 1.00 1.00 H new ATOM 0 HB1 ALA A 109 6.492 13.131 -1.737 1.00 1.00 H new ATOM 0 HB2 ALA A 109 5.910 14.702 -2.337 1.00 1.00 H new ATOM 0 HB3 ALA A 109 6.215 14.470 -0.599 1.00 1.00 H new ATOM 1728 N SER A 110 3.689 11.429 -0.346 1.00 1.00 N ATOM 1729 CA SER A 110 3.554 10.441 0.764 1.00 1.00 C ATOM 1730 C SER A 110 4.284 9.143 0.414 1.00 1.00 C ATOM 1731 O SER A 110 3.956 8.489 -0.557 1.00 1.00 O ATOM 1732 CB SER A 110 2.052 10.195 0.892 1.00 1.00 C ATOM 1733 OG SER A 110 1.737 9.912 2.249 1.00 1.00 O ATOM 0 H SER A 110 3.266 11.149 -1.231 1.00 1.00 H new ATOM 0 HA SER A 110 3.989 10.805 1.695 1.00 1.00 H new ATOM 0 HB2 SER A 110 1.498 11.070 0.553 1.00 1.00 H new ATOM 0 HB3 SER A 110 1.753 9.362 0.256 1.00 1.00 H new ATOM 0 HG SER A 110 1.797 8.946 2.404 1.00 1.00 H new ATOM 1739 N PRO A 111 5.250 8.812 1.224 1.00 1.00 N ATOM 1740 CA PRO A 111 6.036 7.574 1.004 1.00 1.00 C ATOM 1741 C PRO A 111 5.112 6.352 1.025 1.00 1.00 C ATOM 1742 O PRO A 111 4.170 6.299 1.788 1.00 1.00 O ATOM 1743 CB PRO A 111 7.013 7.535 2.181 1.00 1.00 C ATOM 1744 CG PRO A 111 7.017 8.919 2.751 1.00 1.00 C ATOM 1745 CD PRO A 111 5.696 9.550 2.407 1.00 1.00 C ATOM 0 HA PRO A 111 6.547 7.562 0.041 1.00 1.00 H new ATOM 0 HB2 PRO A 111 6.698 6.805 2.927 1.00 1.00 H new ATOM 0 HB3 PRO A 111 8.011 7.244 1.852 1.00 1.00 H new ATOM 0 HG2 PRO A 111 7.158 8.889 3.831 1.00 1.00 H new ATOM 0 HG3 PRO A 111 7.840 9.502 2.338 1.00 1.00 H new ATOM 0 HD2 PRO A 111 4.984 9.458 3.227 1.00 1.00 H new ATOM 0 HD3 PRO A 111 5.804 10.614 2.197 1.00 1.00 H new ATOM 1753 N PRO A 112 5.417 5.409 0.176 1.00 1.00 N ATOM 1754 CA PRO A 112 4.602 4.171 0.092 1.00 1.00 C ATOM 1755 C PRO A 112 4.519 3.495 1.462 1.00 1.00 C ATOM 1756 O PRO A 112 5.505 3.389 2.165 1.00 1.00 O ATOM 1757 CB PRO A 112 5.363 3.295 -0.903 1.00 1.00 C ATOM 1758 CG PRO A 112 6.255 4.227 -1.662 1.00 1.00 C ATOM 1759 CD PRO A 112 6.534 5.407 -0.770 1.00 1.00 C ATOM 0 HA PRO A 112 3.574 4.358 -0.220 1.00 1.00 H new ATOM 0 HB2 PRO A 112 5.944 2.530 -0.387 1.00 1.00 H new ATOM 0 HB3 PRO A 112 4.677 2.777 -1.573 1.00 1.00 H new ATOM 0 HG2 PRO A 112 7.183 3.728 -1.941 1.00 1.00 H new ATOM 0 HG3 PRO A 112 5.776 4.549 -2.587 1.00 1.00 H new ATOM 0 HD2 PRO A 112 7.490 5.303 -0.258 1.00 1.00 H new ATOM 0 HD3 PRO A 112 6.577 6.336 -1.339 1.00 1.00 H new ATOM 1767 N PRO A 113 3.335 3.058 1.796 1.00 1.00 N ATOM 1768 CA PRO A 113 3.109 2.382 3.097 1.00 1.00 C ATOM 1769 C PRO A 113 4.052 1.187 3.244 1.00 1.00 C ATOM 1770 O PRO A 113 4.813 1.096 4.188 1.00 1.00 O ATOM 1771 CB PRO A 113 1.649 1.921 3.037 1.00 1.00 C ATOM 1772 CG PRO A 113 1.215 2.109 1.614 1.00 1.00 C ATOM 1773 CD PRO A 113 2.111 3.151 1.004 1.00 1.00 C ATOM 0 HA PRO A 113 3.300 3.034 3.950 1.00 1.00 H new ATOM 0 HB2 PRO A 113 1.556 0.878 3.339 1.00 1.00 H new ATOM 0 HB3 PRO A 113 1.027 2.505 3.715 1.00 1.00 H new ATOM 0 HG2 PRO A 113 1.287 1.171 1.064 1.00 1.00 H new ATOM 0 HG3 PRO A 113 0.173 2.425 1.569 1.00 1.00 H new ATOM 0 HD2 PRO A 113 2.300 2.950 -0.051 1.00 1.00 H new ATOM 0 HD3 PRO A 113 1.669 4.145 1.065 1.00 1.00 H new ATOM 1781 N ALA A 114 4.009 0.273 2.319 1.00 1.00 N ATOM 1782 CA ALA A 114 4.905 -0.916 2.404 1.00 1.00 C ATOM 1783 C ALA A 114 6.370 -0.468 2.403 1.00 1.00 C ATOM 1784 O ALA A 114 6.664 0.690 2.188 1.00 1.00 O ATOM 1785 CB ALA A 114 4.593 -1.737 1.152 1.00 1.00 C ATOM 0 H ALA A 114 3.393 0.295 1.506 1.00 1.00 H new ATOM 0 HA ALA A 114 4.747 -1.492 3.316 1.00 1.00 H new ATOM 0 HB1 ALA A 114 5.214 -2.633 1.140 1.00 1.00 H new ATOM 0 HB2 ALA A 114 3.542 -2.025 1.158 1.00 1.00 H new ATOM 0 HB3 ALA A 114 4.801 -1.140 0.264 1.00 1.00 H new ATOM 1791 N PRO A 115 7.241 -1.409 2.644 1.00 1.00 N ATOM 1792 CA PRO A 115 8.694 -1.109 2.670 1.00 1.00 C ATOM 1793 C PRO A 115 9.162 -0.638 1.292 1.00 1.00 C ATOM 1794 O PRO A 115 8.974 -1.312 0.298 1.00 1.00 O ATOM 1795 CB PRO A 115 9.346 -2.443 3.039 1.00 1.00 C ATOM 1796 CG PRO A 115 8.302 -3.488 2.789 1.00 1.00 C ATOM 1797 CD PRO A 115 6.958 -2.820 2.909 1.00 1.00 C ATOM 0 HA PRO A 115 8.950 -0.315 3.372 1.00 1.00 H new ATOM 0 HB2 PRO A 115 10.235 -2.625 2.434 1.00 1.00 H new ATOM 0 HB3 PRO A 115 9.663 -2.448 4.082 1.00 1.00 H new ATOM 0 HG2 PRO A 115 8.426 -3.925 1.798 1.00 1.00 H new ATOM 0 HG3 PRO A 115 8.392 -4.301 3.510 1.00 1.00 H new ATOM 0 HD2 PRO A 115 6.245 -3.226 2.192 1.00 1.00 H new ATOM 0 HD3 PRO A 115 6.529 -2.962 3.901 1.00 1.00 H new ATOM 1805 N LYS A 116 9.770 0.515 1.221 1.00 1.00 N ATOM 1806 CA LYS A 116 10.249 1.027 -0.095 1.00 1.00 C ATOM 1807 C LYS A 116 11.684 0.561 -0.353 1.00 1.00 C ATOM 1808 O LYS A 116 12.414 0.232 0.562 1.00 1.00 O ATOM 1809 CB LYS A 116 10.194 2.550 0.029 1.00 1.00 C ATOM 1810 CG LYS A 116 10.850 3.188 -1.197 1.00 1.00 C ATOM 1811 CD LYS A 116 9.870 4.166 -1.848 1.00 1.00 C ATOM 1812 CE LYS A 116 10.612 5.446 -2.242 1.00 1.00 C ATOM 1813 NZ LYS A 116 11.937 5.344 -1.569 1.00 1.00 N ATOM 0 H LYS A 116 9.956 1.125 2.017 1.00 1.00 H new ATOM 0 HA LYS A 116 9.643 0.663 -0.925 1.00 1.00 H new ATOM 0 HB2 LYS A 116 9.159 2.881 0.114 1.00 1.00 H new ATOM 0 HB3 LYS A 116 10.706 2.870 0.936 1.00 1.00 H new ATOM 0 HG2 LYS A 116 11.761 3.710 -0.905 1.00 1.00 H new ATOM 0 HG3 LYS A 116 11.139 2.417 -1.911 1.00 1.00 H new ATOM 0 HD2 LYS A 116 9.416 3.711 -2.728 1.00 1.00 H new ATOM 0 HD3 LYS A 116 9.060 4.400 -1.157 1.00 1.00 H new ATOM 0 HE2 LYS A 116 10.723 5.521 -3.324 1.00 1.00 H new ATOM 0 HE3 LYS A 116 10.070 6.333 -1.915 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 12.486 6.209 -1.749 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 11.798 5.229 -0.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 12.454 4.522 -1.942 1.00 1.00 H new ATOM 1826 N HIS A 117 12.095 0.529 -1.591 1.00 1.00 N ATOM 1827 CA HIS A 117 13.483 0.083 -1.904 1.00 1.00 C ATOM 1828 C HIS A 117 14.322 1.268 -2.391 1.00 1.00 C ATOM 1829 O HIS A 117 13.972 1.941 -3.340 1.00 1.00 O ATOM 1830 CB HIS A 117 13.324 -0.953 -3.017 1.00 1.00 C ATOM 1831 CG HIS A 117 14.025 -0.471 -4.256 1.00 1.00 C ATOM 1832 ND1 HIS A 117 15.160 -1.092 -4.753 1.00 1.00 N ATOM 1833 CD2 HIS A 117 13.765 0.572 -5.110 1.00 1.00 C ATOM 1834 CE1 HIS A 117 15.537 -0.424 -5.859 1.00 1.00 C ATOM 1835 NE2 HIS A 117 14.720 0.600 -6.122 1.00 1.00 N ATOM 0 H HIS A 117 11.531 0.792 -2.399 1.00 1.00 H new ATOM 0 HA HIS A 117 13.991 -0.329 -1.032 1.00 1.00 H new ATOM 0 HB2 HIS A 117 13.740 -1.909 -2.700 1.00 1.00 H new ATOM 0 HB3 HIS A 117 12.267 -1.119 -3.226 1.00 1.00 H new ATOM 0 HD2 HIS A 117 12.943 1.266 -5.011 1.00 1.00 H new ATOM 0 HE1 HIS A 117 16.395 -0.684 -6.461 1.00 1.00 H new ATOM 0 HE2 HIS A 117 14.783 1.260 -6.897 1.00 1.00 H new ATOM 1843 N HIS A 118 15.430 1.525 -1.751 1.00 1.00 N ATOM 1844 CA HIS A 118 16.292 2.663 -2.179 1.00 1.00 C ATOM 1845 C HIS A 118 17.069 2.285 -3.444 1.00 1.00 C ATOM 1846 O HIS A 118 17.480 1.154 -3.615 1.00 1.00 O ATOM 1847 CB HIS A 118 17.251 2.897 -1.011 1.00 1.00 C ATOM 1848 CG HIS A 118 16.579 2.496 0.274 1.00 1.00 C ATOM 1849 ND1 HIS A 118 17.249 2.490 1.486 1.00 1.00 N ATOM 1850 CD2 HIS A 118 15.298 2.086 0.550 1.00 1.00 C ATOM 1851 CE1 HIS A 118 16.376 2.087 2.429 1.00 1.00 C ATOM 1852 NE2 HIS A 118 15.172 1.828 1.912 1.00 1.00 N ATOM 0 H HIS A 118 15.776 0.996 -0.950 1.00 1.00 H new ATOM 0 HA HIS A 118 15.713 3.556 -2.414 1.00 1.00 H new ATOM 0 HB2 HIS A 118 18.163 2.318 -1.153 1.00 1.00 H new ATOM 0 HB3 HIS A 118 17.543 3.946 -0.970 1.00 1.00 H new ATOM 0 HD2 HIS A 118 14.508 1.980 -0.179 1.00 1.00 H new ATOM 0 HE1 HIS A 118 16.620 1.986 3.476 1.00 1.00 H new ATOM 0 HE2 HIS A 118 14.340 1.510 2.408 1.00 1.00 H new ATOM 1860 N HIS A 119 17.270 3.218 -4.333 1.00 1.00 N ATOM 1861 CA HIS A 119 18.015 2.900 -5.585 1.00 1.00 C ATOM 1862 C HIS A 119 19.495 2.664 -5.276 1.00 1.00 C ATOM 1863 O HIS A 119 20.279 3.588 -5.194 1.00 1.00 O ATOM 1864 CB HIS A 119 17.843 4.136 -6.469 1.00 1.00 C ATOM 1865 CG HIS A 119 17.524 3.708 -7.875 1.00 1.00 C ATOM 1866 ND1 HIS A 119 16.952 4.570 -8.798 1.00 1.00 N ATOM 1867 CD2 HIS A 119 17.691 2.513 -8.531 1.00 1.00 C ATOM 1868 CE1 HIS A 119 16.797 3.887 -9.947 1.00 1.00 C ATOM 1869 NE2 HIS A 119 17.231 2.628 -9.839 1.00 1.00 N ATOM 0 H HIS A 119 16.952 4.184 -4.248 1.00 1.00 H new ATOM 0 HA HIS A 119 17.645 1.996 -6.068 1.00 1.00 H new ATOM 0 HB2 HIS A 119 17.044 4.766 -6.079 1.00 1.00 H new ATOM 0 HB3 HIS A 119 18.754 4.734 -6.458 1.00 1.00 H new ATOM 0 HD2 HIS A 119 18.115 1.619 -8.097 1.00 1.00 H new ATOM 0 HE1 HIS A 119 16.373 4.306 -10.848 1.00 1.00 H new ATOM 0 HE2 HIS A 119 17.226 1.907 -10.560 1.00 1.00 H new ATOM 1877 N ALA A 120 19.884 1.429 -5.110 1.00 1.00 N ATOM 1878 CA ALA A 120 21.315 1.128 -4.814 1.00 1.00 C ATOM 1879 C ALA A 120 22.082 0.890 -6.117 1.00 1.00 C ATOM 1880 O ALA A 120 21.500 0.605 -7.145 1.00 1.00 O ATOM 1881 CB ALA A 120 21.285 -0.145 -3.968 1.00 1.00 C ATOM 0 H ALA A 120 19.273 0.614 -5.167 1.00 1.00 H new ATOM 0 HA ALA A 120 21.813 1.948 -4.297 1.00 1.00 H new ATOM 0 HB1 ALA A 120 22.304 -0.433 -3.708 1.00 1.00 H new ATOM 0 HB2 ALA A 120 20.716 0.037 -3.057 1.00 1.00 H new ATOM 0 HB3 ALA A 120 20.814 -0.948 -4.535 1.00 1.00 H new ATOM 1887 N SER A 121 23.381 0.998 -6.085 1.00 1.00 N ATOM 1888 CA SER A 121 24.176 0.770 -7.323 1.00 1.00 C ATOM 1889 C SER A 121 24.495 -0.719 -7.459 1.00 1.00 C ATOM 1890 O SER A 121 25.370 -1.239 -6.797 1.00 1.00 O ATOM 1891 CB SER A 121 25.457 1.580 -7.129 1.00 1.00 C ATOM 1892 OG SER A 121 26.098 1.754 -8.386 1.00 1.00 O ATOM 0 H SER A 121 23.926 1.234 -5.256 1.00 1.00 H new ATOM 0 HA SER A 121 23.644 1.072 -8.225 1.00 1.00 H new ATOM 0 HB2 SER A 121 25.225 2.550 -6.689 1.00 1.00 H new ATOM 0 HB3 SER A 121 26.124 1.067 -6.436 1.00 1.00 H new ATOM 0 HG SER A 121 26.919 2.275 -8.265 1.00 1.00 H new ATOM 1898 N LYS A 122 23.789 -1.411 -8.308 1.00 1.00 N ATOM 1899 CA LYS A 122 24.053 -2.866 -8.476 1.00 1.00 C ATOM 1900 C LYS A 122 24.704 -3.137 -9.834 1.00 1.00 C ATOM 1901 O LYS A 122 24.031 -3.348 -10.824 1.00 1.00 O ATOM 1902 CB LYS A 122 22.677 -3.528 -8.397 1.00 1.00 C ATOM 1903 CG LYS A 122 22.581 -4.356 -7.114 1.00 1.00 C ATOM 1904 CD LYS A 122 23.581 -5.512 -7.176 1.00 1.00 C ATOM 1905 CE LYS A 122 24.255 -5.530 -8.550 1.00 1.00 C ATOM 1906 NZ LYS A 122 25.202 -6.679 -8.498 1.00 1.00 N ATOM 0 H LYS A 122 23.042 -1.033 -8.891 1.00 1.00 H new ATOM 0 HA LYS A 122 24.736 -3.251 -7.719 1.00 1.00 H new ATOM 0 HB2 LYS A 122 21.895 -2.769 -8.412 1.00 1.00 H new ATOM 0 HB3 LYS A 122 22.518 -4.166 -9.267 1.00 1.00 H new ATOM 0 HG2 LYS A 122 22.788 -3.728 -6.247 1.00 1.00 H new ATOM 0 HG3 LYS A 122 21.569 -4.743 -6.993 1.00 1.00 H new ATOM 0 HD2 LYS A 122 24.331 -5.401 -6.393 1.00 1.00 H new ATOM 0 HD3 LYS A 122 23.071 -6.458 -6.997 1.00 1.00 H new ATOM 0 HE2 LYS A 122 23.523 -5.657 -9.347 1.00 1.00 H new ATOM 0 HE3 LYS A 122 24.779 -4.595 -8.745 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 25.917 -6.574 -9.246 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 25.672 -6.700 -7.570 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 24.679 -7.567 -8.641 1.00 1.00 H new ATOM 1919 N VAL A 123 26.007 -3.136 -9.889 1.00 1.00 N ATOM 1920 CA VAL A 123 26.699 -3.397 -11.185 1.00 1.00 C ATOM 1921 C VAL A 123 26.500 -4.855 -11.605 1.00 1.00 C ATOM 1922 O VAL A 123 27.106 -5.756 -11.059 1.00 1.00 O ATOM 1923 CB VAL A 123 28.175 -3.113 -10.910 1.00 1.00 C ATOM 1924 CG1 VAL A 123 28.317 -1.752 -10.225 1.00 1.00 C ATOM 1925 CG2 VAL A 123 28.740 -4.202 -9.995 1.00 1.00 C ATOM 0 H VAL A 123 26.623 -2.966 -9.094 1.00 1.00 H new ATOM 0 HA VAL A 123 26.310 -2.778 -11.994 1.00 1.00 H new ATOM 0 HB VAL A 123 28.723 -3.104 -11.852 1.00 1.00 H new ATOM 0 HG11 VAL A 123 29.370 -1.551 -10.030 1.00 1.00 H new ATOM 0 HG12 VAL A 123 27.914 -0.974 -10.874 1.00 1.00 H new ATOM 0 HG13 VAL A 123 27.768 -1.760 -9.283 1.00 1.00 H new ATOM 0 HG21 VAL A 123 29.793 -4.001 -9.798 1.00 1.00 H new ATOM 0 HG22 VAL A 123 28.189 -4.209 -9.054 1.00 1.00 H new ATOM 0 HG23 VAL A 123 28.641 -5.173 -10.480 1.00 1.00 H new ATOM 1935 N ASP A 124 25.656 -5.095 -12.571 1.00 1.00 N ATOM 1936 CA ASP A 124 25.420 -6.496 -13.024 1.00 1.00 C ATOM 1937 C ASP A 124 26.394 -6.860 -14.147 1.00 1.00 C ATOM 1938 O ASP A 124 25.943 -7.001 -15.272 1.00 1.00 O ATOM 1939 CB ASP A 124 23.980 -6.509 -13.537 1.00 1.00 C ATOM 1940 CG ASP A 124 23.653 -5.160 -14.179 1.00 1.00 C ATOM 1941 OD1 ASP A 124 24.472 -4.262 -14.071 1.00 1.00 O ATOM 1942 OD2 ASP A 124 22.590 -5.046 -14.766 1.00 1.00 O ATOM 0 H ASP A 124 25.120 -4.382 -13.066 1.00 1.00 H new ATOM 0 HA ASP A 124 25.574 -7.220 -12.224 1.00 1.00 H new ATOM 0 HB2 ASP A 124 23.849 -7.311 -14.264 1.00 1.00 H new ATOM 0 HB3 ASP A 124 23.292 -6.709 -12.715 1.00 1.00 H new TER 1947 ASP A 124