USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 938 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 57 THR OG1 : rot -156:sc= 1.03 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.884 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.178 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 1:sc= 1.07 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -175:sc= -0.471 (180deg=-0.551) USER MOD Single : A 20 ASN : amide:sc=-0.00374 K(o=-0.0037,f=-0.55) USER MOD Single : A 24 ASN : amide:sc= -0.0105 X(o=-0.01,f=-0.01) USER MOD Single : A 27 ASN : amide:sc= -0.0602 X(o=-0.06,f=-0.13) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0754 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -0.173 X(o=-0.17,f=-0.6) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -76:sc= 1.2 USER MOD Single : A 46 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.67) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0296 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 1.19 K(o=1.2,f=-0.01) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 130:sc= 0.546 USER MOD Single : A 61 SER OG : rot -55:sc= 0.00978 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.573 K(o=0.57,f=-0.041) USER MOD Single : A 67 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 79 LYS NZ :NH3+ 171:sc=-0.00139 (180deg=-0.088) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.47 K(o=0.47,f=-2.5!) USER MOD Single : A 83 MET CE :methyl -165:sc= -0.471 (180deg=-1.13) USER MOD Single : A 91 SER OG : rot 68:sc= 0.278 USER MOD Single : A 92 HIS : no HD1:sc= -0.635 K(o=-0.64,f=-2.3!) USER MOD Single : A 93 TYR OH : rot 15:sc= 0.0215 USER MOD Single : A 96 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.027) USER MOD Single : A 101 ASN : amide:sc= -0.398 K(o=-0.4,f=-8.5!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 72:sc= 1.87 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 116 THR OG1 : rot -176:sc= 1.81 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.033 -20.717 -12.400 1.00 0.00 N ATOM 2 CA GLY A 1 15.841 -21.345 -11.350 1.00 0.00 C ATOM 3 C GLY A 1 15.044 -22.468 -10.718 1.00 0.00 C ATOM 4 O GLY A 1 13.876 -22.668 -11.053 1.00 0.00 O ATOM 0 H1 GLY A 1 15.464 -20.904 -13.328 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.071 -21.111 -12.380 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.991 -19.691 -12.238 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.769 -21.733 -11.770 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.116 -20.608 -10.596 1.00 0.00 H new ATOM 8 N SER A 2 15.651 -23.199 -9.793 1.00 0.00 N ATOM 9 CA SER A 2 14.970 -24.111 -8.896 1.00 0.00 C ATOM 10 C SER A 2 15.671 -23.975 -7.550 1.00 0.00 C ATOM 11 O SER A 2 16.870 -23.679 -7.501 1.00 0.00 O ATOM 12 CB SER A 2 15.056 -25.534 -9.453 1.00 0.00 C ATOM 13 OG SER A 2 14.360 -26.453 -8.637 1.00 0.00 O ATOM 0 H SER A 2 16.660 -23.170 -9.645 1.00 0.00 H new ATOM 0 HA SER A 2 13.909 -23.884 -8.789 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.643 -25.556 -10.462 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.101 -25.833 -9.530 1.00 0.00 H new ATOM 0 HG SER A 2 14.433 -27.352 -9.021 1.00 0.00 H new ATOM 19 N SER A 3 14.934 -24.193 -6.466 1.00 0.00 N ATOM 20 CA SER A 3 15.414 -24.138 -5.095 1.00 0.00 C ATOM 21 C SER A 3 14.644 -25.181 -4.283 1.00 0.00 C ATOM 22 O SER A 3 13.598 -25.670 -4.735 1.00 0.00 O ATOM 23 CB SER A 3 15.187 -22.727 -4.537 1.00 0.00 C ATOM 24 OG SER A 3 15.851 -21.739 -5.302 1.00 0.00 O ATOM 0 H SER A 3 13.942 -24.423 -6.525 1.00 0.00 H new ATOM 0 HA SER A 3 16.481 -24.355 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.118 -22.513 -4.518 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.539 -22.684 -3.506 1.00 0.00 H new ATOM 0 HG SER A 3 15.680 -20.855 -4.914 1.00 0.00 H new ATOM 30 N GLY A 4 15.133 -25.520 -3.092 1.00 0.00 N ATOM 31 CA GLY A 4 14.485 -26.465 -2.194 1.00 0.00 C ATOM 32 C GLY A 4 14.846 -26.119 -0.759 1.00 0.00 C ATOM 33 O GLY A 4 15.935 -25.607 -0.490 1.00 0.00 O ATOM 0 H GLY A 4 16.003 -25.139 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.404 -26.430 -2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.802 -27.482 -2.426 1.00 0.00 H new ATOM 37 N SER A 5 13.930 -26.361 0.172 1.00 0.00 N ATOM 38 CA SER A 5 14.107 -26.273 1.616 1.00 0.00 C ATOM 39 C SER A 5 12.983 -27.077 2.266 1.00 0.00 C ATOM 40 O SER A 5 11.903 -27.230 1.681 1.00 0.00 O ATOM 41 CB SER A 5 14.035 -24.810 2.082 1.00 0.00 C ATOM 42 OG SER A 5 15.151 -24.095 1.577 1.00 0.00 O ATOM 0 H SER A 5 12.982 -26.642 -0.079 1.00 0.00 H new ATOM 0 HA SER A 5 15.083 -26.667 1.899 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.109 -24.352 1.734 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.024 -24.765 3.171 1.00 0.00 H new ATOM 0 HG SER A 5 15.706 -24.695 1.037 1.00 0.00 H new ATOM 48 N SER A 6 13.240 -27.597 3.459 1.00 0.00 N ATOM 49 CA SER A 6 12.263 -28.221 4.327 1.00 0.00 C ATOM 50 C SER A 6 12.829 -28.142 5.751 1.00 0.00 C ATOM 51 O SER A 6 13.889 -27.539 5.969 1.00 0.00 O ATOM 52 CB SER A 6 12.001 -29.661 3.861 1.00 0.00 C ATOM 53 OG SER A 6 10.688 -30.053 4.201 1.00 0.00 O ATOM 0 H SER A 6 14.177 -27.593 3.861 1.00 0.00 H new ATOM 0 HA SER A 6 11.297 -27.717 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.142 -29.733 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.721 -30.337 4.322 1.00 0.00 H new ATOM 0 HG SER A 6 10.532 -30.972 3.898 1.00 0.00 H new ATOM 59 N GLY A 7 12.136 -28.726 6.724 1.00 0.00 N ATOM 60 CA GLY A 7 12.469 -28.626 8.135 1.00 0.00 C ATOM 61 C GLY A 7 11.213 -28.889 8.951 1.00 0.00 C ATOM 62 O GLY A 7 10.316 -29.599 8.497 1.00 0.00 O ATOM 0 H GLY A 7 11.308 -29.295 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.245 -29.347 8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.866 -27.636 8.361 1.00 0.00 H new ATOM 66 N HIS A 8 11.139 -28.324 10.158 1.00 0.00 N ATOM 67 CA HIS A 8 9.854 -28.198 10.836 1.00 0.00 C ATOM 68 C HIS A 8 8.950 -27.265 10.018 1.00 0.00 C ATOM 69 O HIS A 8 9.434 -26.490 9.191 1.00 0.00 O ATOM 70 CB HIS A 8 10.055 -27.662 12.261 1.00 0.00 C ATOM 71 CG HIS A 8 10.857 -28.585 13.146 1.00 0.00 C ATOM 72 ND1 HIS A 8 10.442 -29.803 13.643 1.00 0.00 N ATOM 73 CD2 HIS A 8 12.129 -28.360 13.606 1.00 0.00 C ATOM 74 CE1 HIS A 8 11.448 -30.300 14.385 1.00 0.00 C ATOM 75 NE2 HIS A 8 12.492 -29.456 14.392 1.00 0.00 N ATOM 0 H HIS A 8 11.937 -27.955 10.674 1.00 0.00 H new ATOM 0 HA HIS A 8 9.379 -29.176 10.914 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.556 -26.695 12.209 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.080 -27.491 12.717 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.739 -27.493 13.398 1.00 0.00 H new ATOM 0 HE1 HIS A 8 11.420 -31.247 14.903 1.00 0.00 H new ATOM 0 HE2 HIS A 8 13.379 -29.589 14.878 1.00 0.00 H new ATOM 83 N SER A 9 7.643 -27.308 10.286 1.00 0.00 N ATOM 84 CA SER A 9 6.673 -26.410 9.677 1.00 0.00 C ATOM 85 C SER A 9 7.048 -24.964 10.031 1.00 0.00 C ATOM 86 O SER A 9 7.406 -24.182 9.145 1.00 0.00 O ATOM 87 CB SER A 9 5.257 -26.830 10.123 1.00 0.00 C ATOM 88 OG SER A 9 4.225 -25.972 9.676 1.00 0.00 O ATOM 0 H SER A 9 7.230 -27.975 10.938 1.00 0.00 H new ATOM 0 HA SER A 9 6.681 -26.471 8.589 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.058 -27.838 9.758 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.230 -26.874 11.212 1.00 0.00 H new ATOM 0 HG SER A 9 3.361 -26.305 9.997 1.00 0.00 H new ATOM 94 N GLY A 10 7.001 -24.616 11.320 1.00 0.00 N ATOM 95 CA GLY A 10 7.129 -23.245 11.800 1.00 0.00 C ATOM 96 C GLY A 10 5.894 -22.428 11.410 1.00 0.00 C ATOM 97 O GLY A 10 5.274 -22.651 10.368 1.00 0.00 O ATOM 0 H GLY A 10 6.870 -25.295 12.070 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.249 -23.241 12.883 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.024 -22.787 11.379 1.00 0.00 H new ATOM 101 N GLU A 11 5.527 -21.456 12.233 1.00 0.00 N ATOM 102 CA GLU A 11 4.317 -20.672 12.053 1.00 0.00 C ATOM 103 C GLU A 11 4.585 -19.279 12.577 1.00 0.00 C ATOM 104 O GLU A 11 4.484 -19.018 13.776 1.00 0.00 O ATOM 105 CB GLU A 11 3.087 -21.349 12.654 1.00 0.00 C ATOM 106 CG GLU A 11 3.374 -22.036 13.986 1.00 0.00 C ATOM 107 CD GLU A 11 2.084 -22.251 14.767 1.00 0.00 C ATOM 108 OE1 GLU A 11 1.320 -23.186 14.446 1.00 0.00 O ATOM 109 OE2 GLU A 11 1.761 -21.428 15.648 1.00 0.00 O ATOM 0 H GLU A 11 6.069 -21.188 13.054 1.00 0.00 H new ATOM 0 HA GLU A 11 4.066 -20.596 10.995 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.303 -20.605 12.797 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.703 -22.085 11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.863 -22.994 13.809 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.064 -21.430 14.573 1.00 0.00 H new ATOM 116 N ASP A 12 5.019 -18.413 11.667 1.00 0.00 N ATOM 117 CA ASP A 12 5.291 -17.014 11.931 1.00 0.00 C ATOM 118 C ASP A 12 4.997 -16.178 10.678 1.00 0.00 C ATOM 119 O ASP A 12 4.560 -15.043 10.830 1.00 0.00 O ATOM 120 CB ASP A 12 6.747 -16.823 12.381 1.00 0.00 C ATOM 121 CG ASP A 12 7.099 -17.480 13.708 1.00 0.00 C ATOM 122 OD1 ASP A 12 6.734 -16.931 14.772 1.00 0.00 O ATOM 123 OD2 ASP A 12 7.735 -18.560 13.681 1.00 0.00 O ATOM 0 H ASP A 12 5.195 -18.678 10.698 1.00 0.00 H new ATOM 0 HA ASP A 12 4.641 -16.675 12.738 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.406 -17.221 11.609 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.952 -15.755 12.455 1.00 0.00 H new ATOM 128 N LEU A 13 5.237 -16.697 9.460 1.00 0.00 N ATOM 129 CA LEU A 13 4.925 -16.073 8.165 1.00 0.00 C ATOM 130 C LEU A 13 3.459 -16.278 7.758 1.00 0.00 C ATOM 131 O LEU A 13 2.884 -17.312 8.087 1.00 0.00 O ATOM 132 CB LEU A 13 5.782 -16.705 7.051 1.00 0.00 C ATOM 133 CG LEU A 13 7.242 -16.233 6.987 1.00 0.00 C ATOM 134 CD1 LEU A 13 7.950 -16.968 5.853 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.351 -14.727 6.735 1.00 0.00 C ATOM 0 H LEU A 13 5.677 -17.611 9.349 1.00 0.00 H new ATOM 0 HA LEU A 13 5.130 -15.009 8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.774 -17.787 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.309 -16.496 6.091 1.00 0.00 H new ATOM 0 HG LEU A 13 7.704 -16.449 7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.988 -16.640 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.918 -18.041 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.450 -16.748 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.402 -14.439 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.874 -14.481 5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.855 -14.186 7.541 1.00 0.00 H new ATOM 147 N PRO A 14 2.874 -15.363 6.958 1.00 0.00 N ATOM 148 CA PRO A 14 1.484 -15.467 6.517 1.00 0.00 C ATOM 149 C PRO A 14 1.333 -16.426 5.330 1.00 0.00 C ATOM 150 O PRO A 14 2.319 -16.797 4.687 1.00 0.00 O ATOM 151 CB PRO A 14 1.104 -14.052 6.066 1.00 0.00 C ATOM 152 CG PRO A 14 2.421 -13.614 5.442 1.00 0.00 C ATOM 153 CD PRO A 14 3.481 -14.166 6.386 1.00 0.00 C ATOM 0 HA PRO A 14 0.853 -15.852 7.318 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.282 -14.049 5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.804 -13.415 6.898 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.537 -14.014 4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.483 -12.529 5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.402 -14.404 5.853 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.738 -13.443 7.160 1.00 0.00 H new ATOM 161 N MET A 15 0.083 -16.709 4.949 1.00 0.00 N ATOM 162 CA MET A 15 -0.248 -17.687 3.917 1.00 0.00 C ATOM 163 C MET A 15 -1.110 -17.163 2.760 1.00 0.00 C ATOM 164 O MET A 15 -1.148 -17.827 1.722 1.00 0.00 O ATOM 165 CB MET A 15 -0.969 -18.860 4.584 1.00 0.00 C ATOM 166 CG MET A 15 -0.104 -19.612 5.597 1.00 0.00 C ATOM 167 SD MET A 15 -0.722 -21.276 5.966 1.00 0.00 S ATOM 168 CE MET A 15 -2.406 -20.886 6.497 1.00 0.00 C ATOM 0 H MET A 15 -0.736 -16.257 5.357 1.00 0.00 H new ATOM 0 HA MET A 15 0.699 -17.974 3.460 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.863 -18.489 5.086 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.302 -19.557 3.814 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.913 -19.686 5.213 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.054 -19.036 6.521 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.897 -21.795 6.845 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.373 -20.158 7.307 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.965 -20.470 5.659 1.00 0.00 H new ATOM 178 N VAL A 16 -1.822 -16.035 2.901 1.00 0.00 N ATOM 179 CA VAL A 16 -2.694 -15.489 1.849 1.00 0.00 C ATOM 180 C VAL A 16 -2.662 -13.949 1.840 1.00 0.00 C ATOM 181 O VAL A 16 -1.957 -13.322 2.638 1.00 0.00 O ATOM 182 CB VAL A 16 -4.138 -16.056 1.931 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.229 -17.542 1.565 1.00 0.00 C ATOM 184 CG2 VAL A 16 -4.865 -15.856 3.254 1.00 0.00 C ATOM 0 H VAL A 16 -1.809 -15.473 3.752 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.296 -15.821 0.890 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.646 -15.445 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.265 -17.873 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.878 -17.687 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.610 -18.123 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.862 -16.293 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.306 -16.342 4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.949 -14.790 3.466 1.00 0.00 H new ATOM 194 N ALA A 17 -3.411 -13.351 0.912 1.00 0.00 N ATOM 195 CA ALA A 17 -3.627 -11.933 0.685 1.00 0.00 C ATOM 196 C ALA A 17 -5.105 -11.608 0.964 1.00 0.00 C ATOM 197 O ALA A 17 -5.951 -12.511 0.884 1.00 0.00 O ATOM 198 CB ALA A 17 -3.313 -11.616 -0.783 1.00 0.00 C ATOM 0 H ALA A 17 -3.931 -13.910 0.236 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.985 -11.343 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.471 -10.553 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.275 -11.871 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.970 -12.198 -1.429 1.00 0.00 H new ATOM 204 N PRO A 18 -5.448 -10.341 1.240 1.00 0.00 N ATOM 205 CA PRO A 18 -6.828 -9.944 1.477 1.00 0.00 C ATOM 206 C PRO A 18 -7.657 -10.034 0.190 1.00 0.00 C ATOM 207 O PRO A 18 -7.145 -9.779 -0.902 1.00 0.00 O ATOM 208 CB PRO A 18 -6.748 -8.541 2.066 1.00 0.00 C ATOM 209 CG PRO A 18 -5.381 -7.988 1.689 1.00 0.00 C ATOM 210 CD PRO A 18 -4.549 -9.197 1.278 1.00 0.00 C ATOM 0 HA PRO A 18 -7.346 -10.607 2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.544 -7.909 1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.870 -8.568 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.460 -7.271 0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.924 -7.465 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.090 -9.035 0.303 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.739 -9.367 1.988 1.00 0.00 H new ATOM 218 N GLY A 19 -8.927 -10.417 0.336 1.00 0.00 N ATOM 219 CA GLY A 19 -9.910 -10.580 -0.729 1.00 0.00 C ATOM 220 C GLY A 19 -10.590 -9.269 -1.126 1.00 0.00 C ATOM 221 O GLY A 19 -10.266 -8.215 -0.573 1.00 0.00 O ATOM 0 H GLY A 19 -9.316 -10.633 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.421 -11.008 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.669 -11.293 -0.408 1.00 0.00 H new ATOM 225 N ASN A 20 -11.515 -9.379 -2.091 1.00 0.00 N ATOM 226 CA ASN A 20 -12.240 -8.344 -2.842 1.00 0.00 C ATOM 227 C ASN A 20 -11.846 -6.914 -2.496 1.00 0.00 C ATOM 228 O ASN A 20 -12.502 -6.238 -1.695 1.00 0.00 O ATOM 229 CB ASN A 20 -13.759 -8.534 -2.770 1.00 0.00 C ATOM 230 CG ASN A 20 -14.508 -7.499 -3.612 1.00 0.00 C ATOM 231 OD1 ASN A 20 -14.031 -7.010 -4.632 1.00 0.00 O ATOM 232 ND2 ASN A 20 -15.723 -7.162 -3.227 1.00 0.00 N ATOM 0 H ASN A 20 -11.807 -10.306 -2.400 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.925 -8.490 -3.875 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.016 -9.536 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.084 -8.461 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.266 -6.496 -3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -16.120 -7.568 -2.380 1.00 0.00 H new ATOM 239 N VAL A 21 -10.759 -6.460 -3.119 1.00 0.00 N ATOM 240 CA VAL A 21 -10.245 -5.123 -2.938 1.00 0.00 C ATOM 241 C VAL A 21 -11.073 -4.172 -3.797 1.00 0.00 C ATOM 242 O VAL A 21 -11.294 -4.409 -4.993 1.00 0.00 O ATOM 243 CB VAL A 21 -8.739 -5.104 -3.254 1.00 0.00 C ATOM 244 CG1 VAL A 21 -8.113 -3.734 -2.985 1.00 0.00 C ATOM 245 CG2 VAL A 21 -8.006 -6.120 -2.367 1.00 0.00 C ATOM 0 H VAL A 21 -10.212 -7.025 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.337 -4.787 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.638 -5.348 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.050 -3.767 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.600 -2.983 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.243 -3.475 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.941 -6.101 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.156 -5.863 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.400 -7.119 -2.556 1.00 0.00 H new ATOM 255 N ARG A 22 -11.499 -3.076 -3.182 1.00 0.00 N ATOM 256 CA ARG A 22 -12.206 -1.957 -3.794 1.00 0.00 C ATOM 257 C ARG A 22 -11.447 -0.681 -3.457 1.00 0.00 C ATOM 258 O ARG A 22 -10.708 -0.641 -2.481 1.00 0.00 O ATOM 259 CB ARG A 22 -13.652 -1.901 -3.254 1.00 0.00 C ATOM 260 CG ARG A 22 -14.520 -3.119 -3.629 1.00 0.00 C ATOM 261 CD ARG A 22 -14.757 -3.127 -5.149 1.00 0.00 C ATOM 262 NE ARG A 22 -15.649 -4.183 -5.663 1.00 0.00 N ATOM 263 CZ ARG A 22 -15.973 -4.313 -6.963 1.00 0.00 C ATOM 264 NH1 ARG A 22 -15.655 -3.360 -7.833 1.00 0.00 N ATOM 265 NH2 ARG A 22 -16.629 -5.388 -7.381 1.00 0.00 N ATOM 0 H ARG A 22 -11.351 -2.936 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.258 -2.074 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.618 -1.815 -2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.133 -0.998 -3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.026 -4.041 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.473 -3.077 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.170 -2.160 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.792 -3.222 -5.646 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.041 -4.850 -4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.163 -2.524 -7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.903 -3.464 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.889 -6.117 -6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.874 -5.485 -8.366 1.00 0.00 H new ATOM 279 N VAL A 23 -11.553 0.353 -4.276 1.00 0.00 N ATOM 280 CA VAL A 23 -10.971 1.660 -4.023 1.00 0.00 C ATOM 281 C VAL A 23 -11.886 2.725 -4.611 1.00 0.00 C ATOM 282 O VAL A 23 -12.306 2.609 -5.765 1.00 0.00 O ATOM 283 CB VAL A 23 -9.506 1.715 -4.508 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.185 0.710 -5.614 1.00 0.00 C ATOM 285 CG2 VAL A 23 -8.981 3.120 -4.814 1.00 0.00 C ATOM 0 H VAL A 23 -12.060 0.304 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.906 1.861 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.939 1.393 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.138 0.808 -5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.368 -0.301 -5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.820 0.905 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.945 3.057 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.588 3.572 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.036 3.733 -3.914 1.00 0.00 H new ATOM 295 N ASN A 24 -12.221 3.731 -3.807 1.00 0.00 N ATOM 296 CA ASN A 24 -12.967 4.917 -4.207 1.00 0.00 C ATOM 297 C ASN A 24 -12.243 6.186 -3.868 1.00 0.00 C ATOM 298 O ASN A 24 -11.818 6.349 -2.728 1.00 0.00 O ATOM 299 CB ASN A 24 -14.274 4.971 -3.455 1.00 0.00 C ATOM 300 CG ASN A 24 -15.052 6.234 -3.749 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.548 6.417 -4.861 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.177 7.112 -2.780 1.00 0.00 N ATOM 0 H ASN A 24 -11.969 3.741 -2.819 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.106 4.844 -5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.879 4.104 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.078 4.908 -2.385 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.697 7.975 -2.938 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.754 6.931 -1.870 1.00 0.00 H new ATOM 309 N VAL A 25 -12.212 7.133 -4.792 1.00 0.00 N ATOM 310 CA VAL A 25 -11.653 8.420 -4.536 1.00 0.00 C ATOM 311 C VAL A 25 -12.667 9.358 -3.880 1.00 0.00 C ATOM 312 O VAL A 25 -13.821 9.498 -4.293 1.00 0.00 O ATOM 313 CB VAL A 25 -10.822 8.909 -5.721 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.412 7.821 -6.716 1.00 0.00 C ATOM 315 CG2 VAL A 25 -11.273 10.175 -6.434 1.00 0.00 C ATOM 0 H VAL A 25 -12.578 7.016 -5.737 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.894 8.374 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.926 9.220 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.826 8.266 -7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.813 7.067 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.304 7.354 -7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.587 10.396 -7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.277 10.030 -6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.279 11.007 -5.730 1.00 0.00 H new ATOM 325 N VAL A 26 -12.211 9.943 -2.782 1.00 0.00 N ATOM 326 CA VAL A 26 -12.936 10.798 -1.848 1.00 0.00 C ATOM 327 C VAL A 26 -12.804 12.243 -2.278 1.00 0.00 C ATOM 328 O VAL A 26 -13.755 13.019 -2.222 1.00 0.00 O ATOM 329 CB VAL A 26 -12.407 10.574 -0.418 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.096 9.348 0.146 1.00 0.00 C ATOM 331 CG2 VAL A 26 -10.956 10.267 -0.363 1.00 0.00 C ATOM 0 H VAL A 26 -11.240 9.822 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.996 10.543 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.597 11.496 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.740 9.165 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.173 9.512 0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.871 8.484 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.654 10.122 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.755 9.358 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.392 11.095 -0.792 1.00 0.00 H new ATOM 341 N ASN A 27 -11.595 12.570 -2.709 1.00 0.00 N ATOM 342 CA ASN A 27 -11.211 13.885 -3.205 1.00 0.00 C ATOM 343 C ASN A 27 -10.324 13.785 -4.435 1.00 0.00 C ATOM 344 O ASN A 27 -9.901 12.713 -4.865 1.00 0.00 O ATOM 345 CB ASN A 27 -10.432 14.633 -2.119 1.00 0.00 C ATOM 346 CG ASN A 27 -11.302 15.092 -0.974 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.364 15.680 -1.158 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.806 14.887 0.220 1.00 0.00 N ATOM 0 H ASN A 27 -10.824 11.902 -2.724 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.126 14.415 -3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.646 13.984 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.941 15.499 -2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.306 15.221 1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.920 14.393 0.326 1.00 0.00 H new ATOM 355 N SER A 28 -9.942 14.956 -4.929 1.00 0.00 N ATOM 356 CA SER A 28 -8.949 15.106 -5.981 1.00 0.00 C ATOM 357 C SER A 28 -7.613 14.487 -5.556 1.00 0.00 C ATOM 358 O SER A 28 -6.997 13.778 -6.349 1.00 0.00 O ATOM 359 CB SER A 28 -8.794 16.590 -6.361 1.00 0.00 C ATOM 360 OG SER A 28 -9.416 17.479 -5.448 1.00 0.00 O ATOM 0 H SER A 28 -10.322 15.844 -4.602 1.00 0.00 H new ATOM 0 HA SER A 28 -9.289 14.569 -6.867 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.733 16.831 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.216 16.748 -7.353 1.00 0.00 H new ATOM 0 HG SER A 28 -9.279 18.403 -5.746 1.00 0.00 H new ATOM 366 N THR A 29 -7.195 14.705 -4.308 1.00 0.00 N ATOM 367 CA THR A 29 -5.870 14.367 -3.794 1.00 0.00 C ATOM 368 C THR A 29 -5.913 13.281 -2.708 1.00 0.00 C ATOM 369 O THR A 29 -4.877 12.979 -2.104 1.00 0.00 O ATOM 370 CB THR A 29 -5.235 15.662 -3.264 1.00 0.00 C ATOM 371 OG1 THR A 29 -6.076 16.229 -2.273 1.00 0.00 O ATOM 372 CG2 THR A 29 -5.068 16.703 -4.374 1.00 0.00 C ATOM 0 H THR A 29 -7.793 15.137 -3.603 1.00 0.00 H new ATOM 0 HA THR A 29 -5.270 13.944 -4.599 1.00 0.00 H new ATOM 0 HB THR A 29 -4.257 15.403 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.671 17.054 -1.933 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.616 17.605 -3.962 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.425 16.300 -5.157 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.044 16.946 -4.795 1.00 0.00 H new ATOM 380 N LEU A 30 -7.097 12.719 -2.439 1.00 0.00 N ATOM 381 CA LEU A 30 -7.359 11.712 -1.431 1.00 0.00 C ATOM 382 C LEU A 30 -8.186 10.594 -2.071 1.00 0.00 C ATOM 383 O LEU A 30 -9.164 10.877 -2.767 1.00 0.00 O ATOM 384 CB LEU A 30 -8.095 12.397 -0.265 1.00 0.00 C ATOM 385 CG LEU A 30 -8.186 11.639 1.056 1.00 0.00 C ATOM 386 CD1 LEU A 30 -6.821 11.208 1.578 1.00 0.00 C ATOM 387 CD2 LEU A 30 -8.878 12.563 2.051 1.00 0.00 C ATOM 0 H LEU A 30 -7.939 12.977 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.444 11.265 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.604 13.351 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.110 12.622 -0.594 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.749 10.717 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.944 10.673 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.343 10.554 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.199 12.088 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.965 12.060 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.292 13.475 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.872 12.816 1.682 1.00 0.00 H new ATOM 399 N ALA A 31 -7.867 9.334 -1.787 1.00 0.00 N ATOM 400 CA ALA A 31 -8.659 8.166 -2.163 1.00 0.00 C ATOM 401 C ALA A 31 -8.839 7.260 -0.942 1.00 0.00 C ATOM 402 O ALA A 31 -8.182 7.489 0.072 1.00 0.00 O ATOM 403 CB ALA A 31 -8.030 7.452 -3.367 1.00 0.00 C ATOM 0 H ALA A 31 -7.022 9.090 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.654 8.473 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.634 6.585 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.987 8.137 -4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.022 7.127 -3.111 1.00 0.00 H new ATOM 409 N GLU A 32 -9.692 6.236 -1.011 1.00 0.00 N ATOM 410 CA GLU A 32 -9.817 5.213 0.014 1.00 0.00 C ATOM 411 C GLU A 32 -9.716 3.885 -0.700 1.00 0.00 C ATOM 412 O GLU A 32 -10.301 3.709 -1.765 1.00 0.00 O ATOM 413 CB GLU A 32 -11.174 5.319 0.720 1.00 0.00 C ATOM 414 CG GLU A 32 -11.044 5.558 2.223 1.00 0.00 C ATOM 415 CD GLU A 32 -12.373 5.437 2.982 1.00 0.00 C ATOM 416 OE1 GLU A 32 -13.421 5.898 2.458 1.00 0.00 O ATOM 417 OE2 GLU A 32 -12.352 4.919 4.126 1.00 0.00 O ATOM 0 H GLU A 32 -10.325 6.097 -1.799 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.042 5.325 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.747 6.133 0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.739 4.402 0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.333 4.842 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.629 6.552 2.390 1.00 0.00 H new ATOM 424 N VAL A 33 -9.021 2.943 -0.094 1.00 0.00 N ATOM 425 CA VAL A 33 -8.942 1.560 -0.516 1.00 0.00 C ATOM 426 C VAL A 33 -9.606 0.752 0.589 1.00 0.00 C ATOM 427 O VAL A 33 -9.426 1.080 1.761 1.00 0.00 O ATOM 428 CB VAL A 33 -7.472 1.154 -0.708 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.408 -0.253 -1.300 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.707 2.107 -1.637 1.00 0.00 C ATOM 0 H VAL A 33 -8.471 3.130 0.744 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.440 1.389 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.001 1.195 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.366 -0.543 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.894 -0.955 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.918 -0.266 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.675 1.770 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.180 2.116 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.722 3.113 -1.218 1.00 0.00 H new ATOM 440 N HIS A 34 -10.318 -0.307 0.219 1.00 0.00 N ATOM 441 CA HIS A 34 -10.962 -1.256 1.117 1.00 0.00 C ATOM 442 C HIS A 34 -10.540 -2.655 0.676 1.00 0.00 C ATOM 443 O HIS A 34 -10.380 -2.896 -0.522 1.00 0.00 O ATOM 444 CB HIS A 34 -12.491 -1.094 1.070 1.00 0.00 C ATOM 445 CG HIS A 34 -12.987 0.286 1.455 1.00 0.00 C ATOM 446 ND1 HIS A 34 -13.583 0.647 2.649 1.00 0.00 N ATOM 447 CD2 HIS A 34 -12.893 1.418 0.690 1.00 0.00 C ATOM 448 CE1 HIS A 34 -13.843 1.964 2.597 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.457 2.473 1.415 1.00 0.00 N ATOM 0 H HIS A 34 -10.468 -0.537 -0.763 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.658 -1.080 2.149 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.838 -1.323 0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.943 -1.828 1.737 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -13.789 0.024 3.430 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.460 1.484 -0.297 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -14.298 2.534 3.394 1.00 0.00 H new ATOM 457 N TRP A 35 -10.347 -3.574 1.614 1.00 0.00 N ATOM 458 CA TRP A 35 -9.892 -4.930 1.364 1.00 0.00 C ATOM 459 C TRP A 35 -10.475 -5.837 2.438 1.00 0.00 C ATOM 460 O TRP A 35 -10.731 -5.397 3.556 1.00 0.00 O ATOM 461 CB TRP A 35 -8.356 -4.935 1.374 1.00 0.00 C ATOM 462 CG TRP A 35 -7.682 -4.505 2.650 1.00 0.00 C ATOM 463 CD1 TRP A 35 -7.472 -5.282 3.738 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.171 -3.183 3.008 1.00 0.00 C ATOM 465 NE1 TRP A 35 -6.830 -4.546 4.715 1.00 0.00 N ATOM 466 CE2 TRP A 35 -6.621 -3.247 4.320 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.137 -1.928 2.368 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.043 -2.139 4.957 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.571 -0.803 2.998 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.010 -0.909 4.283 1.00 0.00 C ATOM 0 H TRP A 35 -10.510 -3.386 2.603 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.225 -5.297 0.393 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.018 -5.944 1.135 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.009 -4.284 0.571 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.762 -6.318 3.829 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.546 -4.921 5.620 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.553 -1.827 1.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.630 -2.231 5.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.568 0.150 2.490 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.556 -0.047 4.749 1.00 0.00 H new ATOM 481 N ASP A 36 -10.687 -7.111 2.124 1.00 0.00 N ATOM 482 CA ASP A 36 -11.284 -8.026 3.092 1.00 0.00 C ATOM 483 C ASP A 36 -10.308 -8.303 4.241 1.00 0.00 C ATOM 484 O ASP A 36 -9.104 -8.443 4.003 1.00 0.00 O ATOM 485 CB ASP A 36 -11.644 -9.360 2.435 1.00 0.00 C ATOM 486 CG ASP A 36 -12.846 -9.335 1.496 1.00 0.00 C ATOM 487 OD1 ASP A 36 -13.728 -8.457 1.632 1.00 0.00 O ATOM 488 OD2 ASP A 36 -12.988 -10.284 0.689 1.00 0.00 O ATOM 0 H ASP A 36 -10.459 -7.529 1.222 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.188 -7.551 3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.778 -9.714 1.876 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.836 -10.090 3.221 1.00 0.00 H new ATOM 493 N PRO A 37 -10.796 -8.499 5.476 1.00 0.00 N ATOM 494 CA PRO A 37 -10.005 -9.129 6.514 1.00 0.00 C ATOM 495 C PRO A 37 -9.702 -10.570 6.086 1.00 0.00 C ATOM 496 O PRO A 37 -10.596 -11.308 5.642 1.00 0.00 O ATOM 497 CB PRO A 37 -10.834 -9.042 7.794 1.00 0.00 C ATOM 498 CG PRO A 37 -12.274 -8.856 7.316 1.00 0.00 C ATOM 499 CD PRO A 37 -12.171 -8.313 5.897 1.00 0.00 C ATOM 0 HA PRO A 37 -9.043 -8.645 6.684 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.730 -9.946 8.394 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.513 -8.207 8.417 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.818 -9.800 7.335 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.814 -8.164 7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.854 -8.840 5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.446 -7.259 5.866 1.00 0.00 H new ATOM 507 N VAL A 38 -8.432 -10.961 6.181 1.00 0.00 N ATOM 508 CA VAL A 38 -8.019 -12.338 5.957 1.00 0.00 C ATOM 509 C VAL A 38 -8.392 -13.192 7.182 1.00 0.00 C ATOM 510 O VAL A 38 -8.614 -12.654 8.273 1.00 0.00 O ATOM 511 CB VAL A 38 -6.518 -12.411 5.601 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.265 -12.036 4.146 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.617 -11.524 6.449 1.00 0.00 C ATOM 0 H VAL A 38 -7.665 -10.331 6.415 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.551 -12.749 5.099 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.264 -13.452 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.198 -12.099 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.806 -12.722 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.610 -11.018 3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.583 -11.642 6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.917 -10.483 6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.705 -11.811 7.497 1.00 0.00 H new ATOM 523 N PRO A 39 -8.475 -14.523 7.026 1.00 0.00 N ATOM 524 CA PRO A 39 -8.759 -15.423 8.131 1.00 0.00 C ATOM 525 C PRO A 39 -7.585 -15.416 9.099 1.00 0.00 C ATOM 526 O PRO A 39 -6.431 -15.405 8.662 1.00 0.00 O ATOM 527 CB PRO A 39 -8.935 -16.812 7.513 1.00 0.00 C ATOM 528 CG PRO A 39 -8.612 -16.671 6.025 1.00 0.00 C ATOM 529 CD PRO A 39 -8.078 -15.262 5.846 1.00 0.00 C ATOM 0 HA PRO A 39 -9.650 -15.126 8.684 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.270 -17.534 7.987 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.953 -17.174 7.656 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.874 -17.411 5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.501 -16.832 5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.993 -15.268 5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.485 -14.804 4.945 1.00 0.00 H new ATOM 537 N LEU A 40 -7.835 -15.531 10.401 1.00 0.00 N ATOM 538 CA LEU A 40 -6.766 -15.538 11.396 1.00 0.00 C ATOM 539 C LEU A 40 -5.856 -16.761 11.218 1.00 0.00 C ATOM 540 O LEU A 40 -4.661 -16.688 11.503 1.00 0.00 O ATOM 541 CB LEU A 40 -7.389 -15.434 12.795 1.00 0.00 C ATOM 542 CG LEU A 40 -6.488 -14.688 13.800 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.343 -13.801 14.703 1.00 0.00 C ATOM 544 CD2 LEU A 40 -5.664 -15.630 14.676 1.00 0.00 C ATOM 0 H LEU A 40 -8.773 -15.621 10.793 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.116 -14.674 11.260 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.347 -14.920 12.723 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.593 -16.436 13.172 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.793 -14.090 13.210 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.701 -13.276 15.411 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.882 -13.075 14.095 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.057 -14.418 15.249 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.051 -15.046 15.362 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.333 -16.275 15.246 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.020 -16.243 14.046 1.00 0.00 H new ATOM 556 N LYS A 41 -6.376 -17.859 10.647 1.00 0.00 N ATOM 557 CA LYS A 41 -5.572 -19.013 10.228 1.00 0.00 C ATOM 558 C LYS A 41 -4.455 -18.633 9.260 1.00 0.00 C ATOM 559 O LYS A 41 -3.428 -19.305 9.264 1.00 0.00 O ATOM 560 CB LYS A 41 -6.430 -20.108 9.561 1.00 0.00 C ATOM 561 CG LYS A 41 -7.040 -21.112 10.543 1.00 0.00 C ATOM 562 CD LYS A 41 -8.335 -20.618 11.186 1.00 0.00 C ATOM 563 CE LYS A 41 -8.820 -21.695 12.158 1.00 0.00 C ATOM 564 NZ LYS A 41 -9.935 -21.220 13.000 1.00 0.00 N ATOM 0 H LYS A 41 -7.373 -17.970 10.463 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.133 -19.397 11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.234 -19.632 8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.815 -20.648 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.236 -22.048 10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.314 -21.331 11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.165 -19.678 11.712 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.090 -20.425 10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.139 -22.573 11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.992 -22.007 12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.233 -21.981 13.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.624 -20.398 13.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.735 -20.946 12.395 1.00 0.00 H new ATOM 578 N SER A 42 -4.647 -17.625 8.404 1.00 0.00 N ATOM 579 CA SER A 42 -3.668 -17.272 7.381 1.00 0.00 C ATOM 580 C SER A 42 -2.436 -16.606 7.987 1.00 0.00 C ATOM 581 O SER A 42 -1.353 -16.718 7.422 1.00 0.00 O ATOM 582 CB SER A 42 -4.282 -16.338 6.339 1.00 0.00 C ATOM 583 OG SER A 42 -4.602 -15.059 6.849 1.00 0.00 O ATOM 0 H SER A 42 -5.480 -17.037 8.403 1.00 0.00 H new ATOM 0 HA SER A 42 -3.362 -18.201 6.901 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.586 -16.226 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.186 -16.797 5.938 1.00 0.00 H new ATOM 0 HG SER A 42 -5.416 -15.118 7.392 1.00 0.00 H new ATOM 589 N ILE A 43 -2.626 -15.860 9.078 1.00 0.00 N ATOM 590 CA ILE A 43 -1.656 -14.905 9.596 1.00 0.00 C ATOM 591 C ILE A 43 -0.518 -15.646 10.303 1.00 0.00 C ATOM 592 O ILE A 43 0.610 -15.154 10.273 1.00 0.00 O ATOM 593 CB ILE A 43 -2.377 -13.886 10.516 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.605 -13.273 9.787 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.416 -12.768 10.971 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.442 -12.317 10.635 1.00 0.00 C ATOM 0 H ILE A 43 -3.479 -15.908 9.635 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.204 -14.342 8.780 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.721 -14.419 11.402 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.256 -12.741 8.902 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.245 -14.084 9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.950 -12.069 11.615 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.584 -13.206 11.522 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.034 -12.239 10.098 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.276 -11.940 10.043 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.827 -12.846 11.507 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.822 -11.482 10.961 1.00 0.00 H new ATOM 608 N ARG A 44 -0.810 -16.815 10.898 1.00 0.00 N ATOM 609 CA ARG A 44 0.127 -17.721 11.576 1.00 0.00 C ATOM 610 C ARG A 44 1.083 -16.988 12.520 1.00 0.00 C ATOM 611 O ARG A 44 2.244 -17.359 12.637 1.00 0.00 O ATOM 612 CB ARG A 44 0.872 -18.593 10.559 1.00 0.00 C ATOM 613 CG ARG A 44 -0.092 -19.425 9.707 1.00 0.00 C ATOM 614 CD ARG A 44 0.350 -20.881 9.584 1.00 0.00 C ATOM 615 NE ARG A 44 0.056 -21.649 10.806 1.00 0.00 N ATOM 616 CZ ARG A 44 0.154 -22.978 10.936 1.00 0.00 C ATOM 617 NH1 ARG A 44 0.690 -23.733 9.981 1.00 0.00 N ATOM 618 NH2 ARG A 44 -0.320 -23.547 12.030 1.00 0.00 N ATOM 0 H ARG A 44 -1.765 -17.172 10.919 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.465 -18.380 12.212 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.476 -17.959 9.910 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.559 -19.257 11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.088 -19.386 10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.166 -18.985 8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.154 -21.343 8.735 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.420 -20.920 9.379 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.249 -21.122 11.625 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.038 -23.301 9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.753 -24.744 10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.751 -22.975 12.756 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.255 -24.558 12.148 1.00 0.00 H new ATOM 632 N GLY A 45 0.622 -15.928 13.173 1.00 0.00 N ATOM 633 CA GLY A 45 1.479 -15.051 13.940 1.00 0.00 C ATOM 634 C GLY A 45 0.640 -13.973 14.605 1.00 0.00 C ATOM 635 O GLY A 45 -0.428 -14.271 15.153 1.00 0.00 O ATOM 0 H GLY A 45 -0.361 -15.657 13.181 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.019 -15.623 14.694 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.226 -14.595 13.290 1.00 0.00 H new ATOM 639 N HIS A 46 1.074 -12.718 14.511 1.00 0.00 N ATOM 640 CA HIS A 46 0.276 -11.562 14.892 1.00 0.00 C ATOM 641 C HIS A 46 0.364 -10.523 13.787 1.00 0.00 C ATOM 642 O HIS A 46 1.458 -10.068 13.451 1.00 0.00 O ATOM 643 CB HIS A 46 0.724 -10.991 16.248 1.00 0.00 C ATOM 644 CG HIS A 46 -0.199 -11.387 17.370 1.00 0.00 C ATOM 645 ND1 HIS A 46 0.110 -12.182 18.450 1.00 0.00 N ATOM 646 CD2 HIS A 46 -1.494 -10.971 17.516 1.00 0.00 C ATOM 647 CE1 HIS A 46 -0.977 -12.244 19.237 1.00 0.00 C ATOM 648 NE2 HIS A 46 -1.994 -11.553 18.686 1.00 0.00 N ATOM 0 H HIS A 46 2.002 -12.476 14.163 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.764 -11.864 15.016 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.733 -11.339 16.471 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.769 -9.904 16.185 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.032 -10.313 16.850 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.028 -12.772 20.177 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.943 -11.470 19.051 1.00 0.00 H new ATOM 656 N LEU A 47 -0.800 -10.165 13.229 1.00 0.00 N ATOM 657 CA LEU A 47 -0.957 -9.071 12.278 1.00 0.00 C ATOM 658 C LEU A 47 -0.325 -7.827 12.887 1.00 0.00 C ATOM 659 O LEU A 47 -0.762 -7.366 13.942 1.00 0.00 O ATOM 660 CB LEU A 47 -2.448 -8.819 11.991 1.00 0.00 C ATOM 661 CG LEU A 47 -2.714 -7.730 10.929 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.507 -8.250 9.505 1.00 0.00 C ATOM 663 CD2 LEU A 47 -4.152 -7.223 11.067 1.00 0.00 C ATOM 0 H LEU A 47 -1.677 -10.644 13.435 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.471 -9.322 11.335 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.905 -9.752 11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.942 -8.533 12.920 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.001 -6.924 11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.705 -7.449 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.479 -8.593 9.389 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.189 -9.079 9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.340 -6.454 10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.845 -8.051 10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.296 -6.802 12.062 1.00 0.00 H new ATOM 675 N GLN A 48 0.697 -7.310 12.222 1.00 0.00 N ATOM 676 CA GLN A 48 1.310 -6.035 12.524 1.00 0.00 C ATOM 677 C GLN A 48 0.427 -4.956 11.917 1.00 0.00 C ATOM 678 O GLN A 48 -0.039 -4.050 12.614 1.00 0.00 O ATOM 679 CB GLN A 48 2.716 -6.023 11.911 1.00 0.00 C ATOM 680 CG GLN A 48 3.675 -6.903 12.715 1.00 0.00 C ATOM 681 CD GLN A 48 3.937 -6.366 14.111 1.00 0.00 C ATOM 682 OE1 GLN A 48 4.034 -5.158 14.308 1.00 0.00 O ATOM 683 NE2 GLN A 48 4.054 -7.248 15.083 1.00 0.00 N ATOM 0 H GLN A 48 1.133 -7.786 11.432 1.00 0.00 H new ATOM 0 HA GLN A 48 1.403 -5.861 13.596 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.670 -6.377 10.881 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.094 -5.001 11.881 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.262 -7.909 12.789 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.621 -6.986 12.179 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.967 -8.244 14.881 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.231 -6.935 16.037 1.00 0.00 H new ATOM 692 N GLY A 49 0.115 -5.100 10.635 1.00 0.00 N ATOM 693 CA GLY A 49 -0.690 -4.174 9.876 1.00 0.00 C ATOM 694 C GLY A 49 -0.844 -4.710 8.469 1.00 0.00 C ATOM 695 O GLY A 49 -0.445 -5.837 8.163 1.00 0.00 O ATOM 0 H GLY A 49 0.431 -5.897 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.667 -4.051 10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.220 -3.191 9.857 1.00 0.00 H new ATOM 699 N TYR A 50 -1.387 -3.866 7.611 1.00 0.00 N ATOM 700 CA TYR A 50 -1.310 -4.053 6.176 1.00 0.00 C ATOM 701 C TYR A 50 -0.304 -3.035 5.644 1.00 0.00 C ATOM 702 O TYR A 50 -0.054 -1.997 6.272 1.00 0.00 O ATOM 703 CB TYR A 50 -2.706 -3.894 5.566 1.00 0.00 C ATOM 704 CG TYR A 50 -3.680 -4.999 5.946 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.446 -4.915 7.129 1.00 0.00 C ATOM 706 CD2 TYR A 50 -3.844 -6.107 5.093 1.00 0.00 C ATOM 707 CE1 TYR A 50 -5.413 -5.895 7.424 1.00 0.00 C ATOM 708 CE2 TYR A 50 -4.821 -7.078 5.373 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.630 -6.957 6.518 1.00 0.00 C ATOM 710 OH TYR A 50 -6.668 -7.818 6.690 1.00 0.00 O ATOM 0 H TYR A 50 -1.896 -3.028 7.892 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.970 -5.053 5.905 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.120 -2.936 5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.615 -3.862 4.480 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.289 -4.093 7.812 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.217 -6.211 4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.986 -5.835 8.338 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.951 -7.919 4.708 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.663 -8.484 5.971 1.00 0.00 H new ATOM 720 N ARG A 51 0.259 -3.315 4.473 1.00 0.00 N ATOM 721 CA ARG A 51 1.074 -2.380 3.709 1.00 0.00 C ATOM 722 C ARG A 51 0.415 -2.285 2.341 1.00 0.00 C ATOM 723 O ARG A 51 -0.114 -3.287 1.858 1.00 0.00 O ATOM 724 CB ARG A 51 2.527 -2.897 3.682 1.00 0.00 C ATOM 725 CG ARG A 51 3.534 -1.917 3.053 1.00 0.00 C ATOM 726 CD ARG A 51 4.994 -2.357 3.263 1.00 0.00 C ATOM 727 NE ARG A 51 5.417 -2.199 4.671 1.00 0.00 N ATOM 728 CZ ARG A 51 5.938 -3.124 5.491 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.146 -4.373 5.094 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.269 -2.780 6.728 1.00 0.00 N ATOM 0 H ARG A 51 0.158 -4.222 4.018 1.00 0.00 H new ATOM 0 HA ARG A 51 1.129 -1.380 4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.841 -3.118 4.702 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.557 -3.836 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.334 -1.831 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.391 -0.927 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.106 -3.399 2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.647 -1.769 2.619 1.00 0.00 H new ATOM 0 HE ARG A 51 5.297 -1.268 5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.908 -4.652 4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.544 -5.054 5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.127 -1.821 7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.666 -3.474 7.361 1.00 0.00 H new ATOM 744 N ILE A 52 0.432 -1.108 1.724 1.00 0.00 N ATOM 745 CA ILE A 52 -0.017 -0.914 0.353 1.00 0.00 C ATOM 746 C ILE A 52 1.208 -0.420 -0.402 1.00 0.00 C ATOM 747 O ILE A 52 1.834 0.557 0.013 1.00 0.00 O ATOM 748 CB ILE A 52 -1.246 0.032 0.280 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.490 -0.629 0.915 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.539 0.472 -1.164 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.775 0.216 0.850 1.00 0.00 C ATOM 0 H ILE A 52 0.763 -0.252 2.169 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.386 -1.832 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.003 0.927 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.672 -1.581 0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.272 -0.853 1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.406 1.133 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.675 1.001 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.745 -0.405 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.593 -0.330 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.618 1.158 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.025 0.419 -0.191 1.00 0.00 H new ATOM 763 N TYR A 53 1.561 -1.080 -1.503 1.00 0.00 N ATOM 764 CA TYR A 53 2.416 -0.496 -2.527 1.00 0.00 C ATOM 765 C TYR A 53 1.498 0.149 -3.545 1.00 0.00 C ATOM 766 O TYR A 53 0.389 -0.338 -3.746 1.00 0.00 O ATOM 767 CB TYR A 53 3.314 -1.556 -3.181 1.00 0.00 C ATOM 768 CG TYR A 53 4.569 -1.903 -2.397 1.00 0.00 C ATOM 769 CD1 TYR A 53 4.469 -2.590 -1.169 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.838 -1.551 -2.900 1.00 0.00 C ATOM 771 CE1 TYR A 53 5.619 -2.879 -0.416 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.991 -1.830 -2.146 1.00 0.00 C ATOM 773 CZ TYR A 53 6.884 -2.472 -0.894 1.00 0.00 C ATOM 774 OH TYR A 53 7.986 -2.596 -0.106 1.00 0.00 O ATOM 0 H TYR A 53 1.261 -2.033 -1.708 1.00 0.00 H new ATOM 0 HA TYR A 53 3.090 0.241 -2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.731 -2.465 -3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.607 -1.203 -4.170 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.500 -2.896 -0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.924 -1.068 -3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.536 -3.409 0.522 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.963 -1.552 -2.526 1.00 0.00 H new ATOM 0 HH TYR A 53 8.773 -2.270 -0.590 1.00 0.00 H new ATOM 784 N TYR A 54 1.896 1.269 -4.132 1.00 0.00 N ATOM 785 CA TYR A 54 1.138 1.962 -5.149 1.00 0.00 C ATOM 786 C TYR A 54 2.050 2.807 -6.028 1.00 0.00 C ATOM 787 O TYR A 54 3.200 3.075 -5.651 1.00 0.00 O ATOM 788 CB TYR A 54 0.072 2.795 -4.441 1.00 0.00 C ATOM 789 CG TYR A 54 0.549 4.015 -3.701 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.894 3.935 -2.342 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.532 5.248 -4.364 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.227 5.107 -1.633 1.00 0.00 C ATOM 793 CE2 TYR A 54 0.876 6.418 -3.678 1.00 0.00 C ATOM 794 CZ TYR A 54 1.228 6.353 -2.313 1.00 0.00 C ATOM 795 OH TYR A 54 1.610 7.495 -1.684 1.00 0.00 O ATOM 0 H TYR A 54 2.778 1.728 -3.904 1.00 0.00 H new ATOM 0 HA TYR A 54 0.653 1.254 -5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.661 3.112 -5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.449 2.150 -3.734 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.904 2.978 -1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.253 5.296 -5.406 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.479 5.057 -0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.872 7.368 -4.192 1.00 0.00 H new ATOM 0 HH TYR A 54 1.547 8.249 -2.307 1.00 0.00 H new ATOM 805 N TRP A 55 1.591 3.158 -7.236 1.00 0.00 N ATOM 806 CA TRP A 55 2.329 4.035 -8.139 1.00 0.00 C ATOM 807 C TRP A 55 1.424 4.877 -9.055 1.00 0.00 C ATOM 808 O TRP A 55 0.287 4.497 -9.365 1.00 0.00 O ATOM 809 CB TRP A 55 3.356 3.196 -8.905 1.00 0.00 C ATOM 810 CG TRP A 55 2.865 2.096 -9.792 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.456 2.239 -11.072 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.791 0.664 -9.509 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.131 1.005 -11.594 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.301 -0.004 -10.669 1.00 0.00 C ATOM 815 CE3 TRP A 55 3.111 -0.144 -8.397 1.00 0.00 C ATOM 816 CZ2 TRP A 55 2.111 -1.394 -10.712 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.922 -1.538 -8.427 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.410 -2.164 -9.578 1.00 0.00 C ATOM 0 H TRP A 55 0.697 2.839 -7.610 1.00 0.00 H new ATOM 0 HA TRP A 55 2.855 4.783 -7.546 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.948 3.876 -9.518 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.033 2.754 -8.174 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.393 3.176 -11.605 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.804 0.856 -12.549 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.509 0.317 -7.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.738 -1.866 -11.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.172 -2.132 -7.560 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.248 -3.232 -9.589 1.00 0.00 H new ATOM 829 N LYS A 56 1.948 6.014 -9.517 1.00 0.00 N ATOM 830 CA LYS A 56 1.325 6.906 -10.496 1.00 0.00 C ATOM 831 C LYS A 56 1.306 6.183 -11.830 1.00 0.00 C ATOM 832 O LYS A 56 2.343 5.657 -12.237 1.00 0.00 O ATOM 833 CB LYS A 56 2.181 8.176 -10.575 1.00 0.00 C ATOM 834 CG LYS A 56 1.714 9.276 -11.544 1.00 0.00 C ATOM 835 CD LYS A 56 0.647 10.195 -10.936 1.00 0.00 C ATOM 836 CE LYS A 56 0.503 11.514 -11.701 1.00 0.00 C ATOM 837 NZ LYS A 56 1.571 12.473 -11.345 1.00 0.00 N ATOM 0 H LYS A 56 2.858 6.353 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 56 0.305 7.177 -10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.239 8.608 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.193 7.885 -10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.573 9.875 -11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.315 8.813 -12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.312 9.677 -10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.904 10.407 -9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.533 11.318 -12.773 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.470 11.956 -11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.440 13.354 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.527 12.679 -10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.498 12.061 -11.575 1.00 0.00 H new ATOM 851 N THR A 57 0.171 6.139 -12.512 1.00 0.00 N ATOM 852 CA THR A 57 0.013 5.332 -13.715 1.00 0.00 C ATOM 853 C THR A 57 -0.229 6.273 -14.885 1.00 0.00 C ATOM 854 O THR A 57 -1.154 7.077 -14.837 1.00 0.00 O ATOM 855 CB THR A 57 -1.130 4.342 -13.501 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.877 3.587 -12.329 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.270 3.392 -14.690 1.00 0.00 C ATOM 0 H THR A 57 -0.665 6.660 -12.249 1.00 0.00 H new ATOM 0 HA THR A 57 0.906 4.746 -13.934 1.00 0.00 H new ATOM 0 HB THR A 57 -2.058 4.904 -13.400 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.352 2.731 -12.382 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.092 2.700 -14.508 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.474 3.967 -15.593 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.344 2.831 -14.818 1.00 0.00 H new ATOM 865 N GLN A 58 0.631 6.237 -15.902 1.00 0.00 N ATOM 866 CA GLN A 58 0.624 7.230 -16.985 1.00 0.00 C ATOM 867 C GLN A 58 0.754 6.586 -18.365 1.00 0.00 C ATOM 868 O GLN A 58 0.187 7.095 -19.333 1.00 0.00 O ATOM 869 CB GLN A 58 1.777 8.230 -16.787 1.00 0.00 C ATOM 870 CG GLN A 58 1.792 8.969 -15.439 1.00 0.00 C ATOM 871 CD GLN A 58 0.735 10.068 -15.333 1.00 0.00 C ATOM 872 OE1 GLN A 58 1.020 11.230 -15.586 1.00 0.00 O ATOM 873 NE2 GLN A 58 -0.475 9.764 -14.908 1.00 0.00 N ATOM 0 H GLN A 58 1.352 5.522 -16.002 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.337 7.742 -16.942 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.721 7.696 -16.898 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.733 8.970 -17.586 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.636 8.248 -14.637 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.778 9.408 -15.286 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.713 8.795 -14.697 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.174 10.498 -14.790 1.00 0.00 H new ATOM 882 N SER A 59 1.492 5.475 -18.466 1.00 0.00 N ATOM 883 CA SER A 59 1.905 4.880 -19.735 1.00 0.00 C ATOM 884 C SER A 59 2.638 5.912 -20.611 1.00 0.00 C ATOM 885 O SER A 59 3.082 6.960 -20.126 1.00 0.00 O ATOM 886 CB SER A 59 0.690 4.213 -20.405 1.00 0.00 C ATOM 887 OG SER A 59 0.076 3.311 -19.498 1.00 0.00 O ATOM 0 H SER A 59 1.823 4.958 -17.652 1.00 0.00 H new ATOM 0 HA SER A 59 2.636 4.089 -19.568 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.027 4.972 -20.718 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.005 3.682 -21.303 1.00 0.00 H new ATOM 0 HG SER A 59 -0.698 2.890 -19.928 1.00 0.00 H new ATOM 893 N SER A 60 2.858 5.576 -21.878 1.00 0.00 N ATOM 894 CA SER A 60 3.210 6.481 -22.956 1.00 0.00 C ATOM 895 C SER A 60 2.852 5.714 -24.230 1.00 0.00 C ATOM 896 O SER A 60 2.992 4.488 -24.261 1.00 0.00 O ATOM 897 CB SER A 60 4.720 6.784 -22.906 1.00 0.00 C ATOM 898 OG SER A 60 5.119 7.813 -23.797 1.00 0.00 O ATOM 0 H SER A 60 2.790 4.608 -22.193 1.00 0.00 H new ATOM 0 HA SER A 60 2.691 7.438 -22.897 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.992 7.068 -21.890 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.273 5.875 -23.142 1.00 0.00 H new ATOM 0 HG SER A 60 5.658 8.473 -23.314 1.00 0.00 H new ATOM 904 N SER A 61 2.520 6.401 -25.322 1.00 0.00 N ATOM 905 CA SER A 61 2.478 5.780 -26.646 1.00 0.00 C ATOM 906 C SER A 61 3.910 5.586 -27.181 1.00 0.00 C ATOM 907 O SER A 61 4.170 5.841 -28.357 1.00 0.00 O ATOM 908 CB SER A 61 1.599 6.626 -27.580 1.00 0.00 C ATOM 909 OG SER A 61 1.197 5.883 -28.715 1.00 0.00 O ATOM 0 H SER A 61 2.275 7.391 -25.316 1.00 0.00 H new ATOM 0 HA SER A 61 2.028 4.789 -26.588 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.719 6.974 -27.039 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.149 7.512 -27.898 1.00 0.00 H new ATOM 0 HG SER A 61 1.988 5.518 -29.164 1.00 0.00 H new ATOM 915 N LYS A 62 4.860 5.191 -26.319 1.00 0.00 N ATOM 916 CA LYS A 62 6.305 5.319 -26.510 1.00 0.00 C ATOM 917 C LYS A 62 6.607 6.641 -27.217 1.00 0.00 C ATOM 918 O LYS A 62 7.036 6.664 -28.371 1.00 0.00 O ATOM 919 CB LYS A 62 6.842 4.060 -27.204 1.00 0.00 C ATOM 920 CG LYS A 62 8.366 4.045 -27.371 1.00 0.00 C ATOM 921 CD LYS A 62 8.907 2.614 -27.275 1.00 0.00 C ATOM 922 CE LYS A 62 10.298 2.518 -27.906 1.00 0.00 C ATOM 923 NZ LYS A 62 10.283 1.746 -29.164 1.00 0.00 N ATOM 0 H LYS A 62 4.625 4.753 -25.428 1.00 0.00 H new ATOM 0 HA LYS A 62 6.838 5.372 -25.561 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.541 3.184 -26.630 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.378 3.972 -28.186 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.636 4.477 -28.335 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.827 4.666 -26.603 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.954 2.307 -26.230 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.226 1.928 -27.778 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.678 3.521 -28.101 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.984 2.049 -27.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.245 1.705 -29.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.945 0.781 -28.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.648 2.207 -29.847 1.00 0.00 H new ATOM 937 N ARG A 63 6.266 7.744 -26.545 1.00 0.00 N ATOM 938 CA ARG A 63 6.246 9.086 -27.132 1.00 0.00 C ATOM 939 C ARG A 63 7.144 10.063 -26.372 1.00 0.00 C ATOM 940 O ARG A 63 7.449 11.124 -26.909 1.00 0.00 O ATOM 941 CB ARG A 63 4.777 9.540 -27.239 1.00 0.00 C ATOM 942 CG ARG A 63 4.533 10.635 -28.288 1.00 0.00 C ATOM 943 CD ARG A 63 4.700 12.069 -27.779 1.00 0.00 C ATOM 944 NE ARG A 63 5.677 12.831 -28.567 1.00 0.00 N ATOM 945 CZ ARG A 63 5.497 13.363 -29.780 1.00 0.00 C ATOM 946 NH1 ARG A 63 4.384 13.166 -30.473 1.00 0.00 N ATOM 947 NH2 ARG A 63 6.453 14.111 -30.305 1.00 0.00 N ATOM 0 H ARG A 63 5.992 7.729 -25.563 1.00 0.00 H new ATOM 0 HA ARG A 63 6.672 9.065 -28.135 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.158 8.676 -27.481 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.449 9.905 -26.266 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.219 10.479 -29.120 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.523 10.521 -28.682 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.736 12.577 -27.810 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.016 12.047 -26.736 1.00 0.00 H new ATOM 0 HE ARG A 63 6.594 12.970 -28.142 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.635 12.595 -30.083 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.277 13.586 -31.396 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.315 14.276 -29.785 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.328 14.523 -31.230 1.00 0.00 H new ATOM 961 N ASN A 64 7.613 9.670 -25.182 1.00 0.00 N ATOM 962 CA ASN A 64 8.723 10.161 -24.355 1.00 0.00 C ATOM 963 C ASN A 64 8.341 9.993 -22.898 1.00 0.00 C ATOM 964 O ASN A 64 7.772 10.902 -22.284 1.00 0.00 O ATOM 965 CB ASN A 64 9.239 11.590 -24.619 1.00 0.00 C ATOM 966 CG ASN A 64 10.377 11.564 -25.619 1.00 0.00 C ATOM 967 OD1 ASN A 64 11.519 11.277 -25.266 1.00 0.00 O ATOM 968 ND2 ASN A 64 10.101 11.820 -26.880 1.00 0.00 N ATOM 0 H ASN A 64 7.157 8.889 -24.711 1.00 0.00 H new ATOM 0 HA ASN A 64 9.578 9.549 -24.643 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.428 12.212 -24.997 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.577 12.040 -23.685 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.840 11.782 -27.582 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.148 12.056 -27.156 1.00 0.00 H new ATOM 975 N ARG A 65 8.659 8.823 -22.339 1.00 0.00 N ATOM 976 CA ARG A 65 8.576 8.593 -20.907 1.00 0.00 C ATOM 977 C ARG A 65 9.627 7.558 -20.525 1.00 0.00 C ATOM 978 O ARG A 65 9.791 6.549 -21.214 1.00 0.00 O ATOM 979 CB ARG A 65 7.170 8.103 -20.510 1.00 0.00 C ATOM 980 CG ARG A 65 6.888 8.317 -19.015 1.00 0.00 C ATOM 981 CD ARG A 65 5.845 9.421 -18.793 1.00 0.00 C ATOM 982 NE ARG A 65 5.947 10.004 -17.447 1.00 0.00 N ATOM 983 CZ ARG A 65 6.782 10.985 -17.079 1.00 0.00 C ATOM 984 NH1 ARG A 65 7.643 11.500 -17.954 1.00 0.00 N ATOM 985 NH2 ARG A 65 6.739 11.476 -15.847 1.00 0.00 N ATOM 0 H ARG A 65 8.980 8.014 -22.871 1.00 0.00 H new ATOM 0 HA ARG A 65 8.760 9.527 -20.376 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.421 8.632 -21.100 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.074 7.044 -20.749 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.534 7.386 -18.573 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.813 8.581 -18.503 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.979 10.204 -19.540 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.845 9.011 -18.937 1.00 0.00 H new ATOM 0 HE ARG A 65 5.327 9.628 -16.730 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.670 11.148 -18.911 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.276 12.247 -17.668 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.068 11.107 -15.174 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.377 12.223 -15.573 1.00 0.00 H new ATOM 999 N ARG A 66 10.293 7.807 -19.406 1.00 0.00 N ATOM 1000 CA ARG A 66 10.841 6.815 -18.495 1.00 0.00 C ATOM 1001 C ARG A 66 10.472 7.269 -17.075 1.00 0.00 C ATOM 1002 O ARG A 66 10.062 8.423 -16.887 1.00 0.00 O ATOM 1003 CB ARG A 66 12.356 6.645 -18.701 1.00 0.00 C ATOM 1004 CG ARG A 66 12.656 5.629 -19.814 1.00 0.00 C ATOM 1005 CD ARG A 66 14.069 5.060 -19.666 1.00 0.00 C ATOM 1006 NE ARG A 66 14.878 5.212 -20.886 1.00 0.00 N ATOM 1007 CZ ARG A 66 15.222 4.259 -21.760 1.00 0.00 C ATOM 1008 NH1 ARG A 66 14.646 3.059 -21.708 1.00 0.00 N ATOM 1009 NH2 ARG A 66 16.165 4.508 -22.666 1.00 0.00 N ATOM 0 H ARG A 66 10.475 8.761 -19.093 1.00 0.00 H new ATOM 0 HA ARG A 66 10.422 5.826 -18.682 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.801 7.607 -18.954 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.817 6.315 -17.770 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.928 4.819 -19.779 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.553 6.108 -20.787 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.572 5.560 -18.838 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.004 4.003 -19.408 1.00 0.00 H new ATOM 0 HE ARG A 66 15.216 6.153 -21.089 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.939 2.863 -20.999 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.912 2.336 -22.377 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.620 5.420 -22.691 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.432 3.786 -23.335 1.00 0.00 H new ATOM 1023 N HIS A 67 10.699 6.383 -16.105 1.00 0.00 N ATOM 1024 CA HIS A 67 10.422 6.500 -14.680 1.00 0.00 C ATOM 1025 C HIS A 67 8.937 6.532 -14.330 1.00 0.00 C ATOM 1026 O HIS A 67 8.114 7.218 -14.942 1.00 0.00 O ATOM 1027 CB HIS A 67 11.203 7.649 -14.025 1.00 0.00 C ATOM 1028 CG HIS A 67 12.694 7.462 -14.113 1.00 0.00 C ATOM 1029 ND1 HIS A 67 13.603 8.321 -14.688 1.00 0.00 N ATOM 1030 CD2 HIS A 67 13.392 6.390 -13.634 1.00 0.00 C ATOM 1031 CE1 HIS A 67 14.826 7.787 -14.545 1.00 0.00 C ATOM 1032 NE2 HIS A 67 14.739 6.582 -13.954 1.00 0.00 N ATOM 0 H HIS A 67 11.122 5.481 -16.322 1.00 0.00 H new ATOM 0 HA HIS A 67 10.792 5.572 -14.245 1.00 0.00 H new ATOM 0 HB2 HIS A 67 10.930 8.589 -14.505 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.912 7.730 -12.978 1.00 0.00 H new ATOM 0 HD2 HIS A 67 12.977 5.546 -13.103 1.00 0.00 H new ATOM 0 HE1 HIS A 67 15.746 8.257 -14.859 1.00 0.00 H new ATOM 0 HE2 HIS A 67 15.506 5.934 -13.774 1.00 0.00 H new ATOM 1040 N ILE A 68 8.615 5.816 -13.258 1.00 0.00 N ATOM 1041 CA ILE A 68 7.314 5.701 -12.632 1.00 0.00 C ATOM 1042 C ILE A 68 7.605 5.886 -11.150 1.00 0.00 C ATOM 1043 O ILE A 68 8.475 5.211 -10.595 1.00 0.00 O ATOM 1044 CB ILE A 68 6.706 4.316 -12.936 1.00 0.00 C ATOM 1045 CG1 ILE A 68 6.460 4.150 -14.453 1.00 0.00 C ATOM 1046 CG2 ILE A 68 5.416 4.081 -12.130 1.00 0.00 C ATOM 1047 CD1 ILE A 68 5.909 2.788 -14.877 1.00 0.00 C ATOM 0 H ILE A 68 9.317 5.259 -12.770 1.00 0.00 H new ATOM 0 HA ILE A 68 6.587 6.429 -12.992 1.00 0.00 H new ATOM 0 HB ILE A 68 7.424 3.557 -12.626 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.764 4.923 -14.779 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.399 4.324 -14.979 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.013 3.096 -12.367 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.638 4.135 -11.064 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.682 4.845 -12.387 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.771 2.772 -15.958 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.611 2.006 -14.589 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.951 2.614 -14.386 1.00 0.00 H new ATOM 1059 N GLU A 69 6.900 6.811 -10.516 1.00 0.00 N ATOM 1060 CA GLU A 69 7.018 7.082 -9.113 1.00 0.00 C ATOM 1061 C GLU A 69 6.284 5.992 -8.342 1.00 0.00 C ATOM 1062 O GLU A 69 5.062 5.848 -8.458 1.00 0.00 O ATOM 1063 CB GLU A 69 6.362 8.424 -8.884 1.00 0.00 C ATOM 1064 CG GLU A 69 6.508 8.857 -7.440 1.00 0.00 C ATOM 1065 CD GLU A 69 7.848 9.529 -7.160 1.00 0.00 C ATOM 1066 OE1 GLU A 69 8.143 10.574 -7.783 1.00 0.00 O ATOM 1067 OE2 GLU A 69 8.593 9.008 -6.303 1.00 0.00 O ATOM 0 H GLU A 69 6.215 7.403 -10.986 1.00 0.00 H new ATOM 0 HA GLU A 69 8.056 7.099 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.812 9.170 -9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.305 8.366 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.701 9.545 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.400 7.988 -6.791 1.00 0.00 H new ATOM 1074 N LYS A 70 7.031 5.269 -7.520 1.00 0.00 N ATOM 1075 CA LYS A 70 6.532 4.198 -6.676 1.00 0.00 C ATOM 1076 C LYS A 70 6.645 4.613 -5.221 1.00 0.00 C ATOM 1077 O LYS A 70 7.646 5.209 -4.810 1.00 0.00 O ATOM 1078 CB LYS A 70 7.317 2.908 -6.920 1.00 0.00 C ATOM 1079 CG LYS A 70 7.129 2.339 -8.332 1.00 0.00 C ATOM 1080 CD LYS A 70 7.469 0.846 -8.353 1.00 0.00 C ATOM 1081 CE LYS A 70 7.926 0.468 -9.765 1.00 0.00 C ATOM 1082 NZ LYS A 70 8.035 -0.989 -9.974 1.00 0.00 N ATOM 0 H LYS A 70 8.035 5.419 -7.421 1.00 0.00 H new ATOM 0 HA LYS A 70 5.487 4.010 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.377 3.099 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.008 2.160 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.100 2.489 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.767 2.874 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.255 0.627 -7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.599 0.256 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.223 0.880 -10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.894 0.929 -9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.348 -1.178 -10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.726 -1.385 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.108 -1.433 -9.816 1.00 0.00 H new ATOM 1096 N LYS A 71 5.624 4.258 -4.450 1.00 0.00 N ATOM 1097 CA LYS A 71 5.464 4.597 -3.047 1.00 0.00 C ATOM 1098 C LYS A 71 4.994 3.385 -2.278 1.00 0.00 C ATOM 1099 O LYS A 71 4.511 2.403 -2.851 1.00 0.00 O ATOM 1100 CB LYS A 71 4.421 5.719 -2.908 1.00 0.00 C ATOM 1101 CG LYS A 71 4.979 7.138 -2.811 1.00 0.00 C ATOM 1102 CD LYS A 71 5.704 7.399 -1.486 1.00 0.00 C ATOM 1103 CE LYS A 71 5.725 8.903 -1.177 1.00 0.00 C ATOM 1104 NZ LYS A 71 6.283 9.185 0.159 1.00 0.00 N ATOM 0 H LYS A 71 4.849 3.699 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 71 6.422 4.931 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.748 5.671 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.821 5.523 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.668 7.310 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.164 7.853 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.206 6.862 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.724 7.018 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.316 9.420 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.712 9.300 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.279 10.211 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.705 8.713 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.259 8.830 0.210 1.00 0.00 H new ATOM 1118 N ILE A 72 5.096 3.505 -0.963 1.00 0.00 N ATOM 1119 CA ILE A 72 4.640 2.533 0.010 1.00 0.00 C ATOM 1120 C ILE A 72 3.834 3.307 1.038 1.00 0.00 C ATOM 1121 O ILE A 72 4.122 4.473 1.325 1.00 0.00 O ATOM 1122 CB ILE A 72 5.853 1.809 0.626 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.587 0.978 -0.446 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.462 0.868 1.778 1.00 0.00 C ATOM 1125 CD1 ILE A 72 8.002 1.470 -0.706 1.00 0.00 C ATOM 0 H ILE A 72 5.520 4.324 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 72 4.016 1.756 -0.433 1.00 0.00 H new ATOM 0 HB ILE A 72 6.502 2.590 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.622 -0.065 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.019 1.010 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.356 0.386 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.980 1.442 2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.773 0.108 1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.469 0.847 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.970 2.504 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.582 1.412 0.215 1.00 0.00 H new ATOM 1137 N LEU A 73 2.850 2.638 1.614 1.00 0.00 N ATOM 1138 CA LEU A 73 1.857 3.173 2.509 1.00 0.00 C ATOM 1139 C LEU A 73 1.657 2.166 3.632 1.00 0.00 C ATOM 1140 O LEU A 73 1.721 0.955 3.400 1.00 0.00 O ATOM 1141 CB LEU A 73 0.589 3.338 1.704 1.00 0.00 C ATOM 1142 CG LEU A 73 -0.358 4.422 2.184 1.00 0.00 C ATOM 1143 CD1 LEU A 73 0.139 5.862 2.108 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -1.527 4.369 1.224 1.00 0.00 C ATOM 0 H LEU A 73 2.721 1.639 1.453 1.00 0.00 H new ATOM 0 HA LEU A 73 2.148 4.131 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.862 3.551 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.054 2.388 1.704 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.545 4.217 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.634 6.534 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.037 5.969 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.369 6.113 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.261 5.125 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.175 4.561 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.988 3.382 1.267 1.00 0.00 H new ATOM 1156 N THR A 74 1.397 2.666 4.826 1.00 0.00 N ATOM 1157 CA THR A 74 1.523 1.920 6.072 1.00 0.00 C ATOM 1158 C THR A 74 0.233 2.086 6.875 1.00 0.00 C ATOM 1159 O THR A 74 -0.129 3.206 7.234 1.00 0.00 O ATOM 1160 CB THR A 74 2.812 2.413 6.771 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.929 1.864 6.085 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.964 2.080 8.261 1.00 0.00 C ATOM 0 H THR A 74 1.084 3.627 4.963 1.00 0.00 H new ATOM 0 HA THR A 74 1.634 0.845 5.932 1.00 0.00 H new ATOM 0 HB THR A 74 2.751 3.500 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.757 2.167 6.513 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.908 2.481 8.629 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.139 2.524 8.819 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.953 0.998 8.395 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.463 0.977 7.151 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.674 0.933 7.958 1.00 0.00 C ATOM 1172 C PHE A 75 -1.502 -0.135 9.022 1.00 0.00 C ATOM 1173 O PHE A 75 -1.847 -1.300 8.813 1.00 0.00 O ATOM 1174 CB PHE A 75 -2.908 0.700 7.074 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.133 1.861 6.137 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.345 3.153 6.662 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.967 1.673 4.755 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.312 4.268 5.812 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.957 2.788 3.910 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.092 4.080 4.440 1.00 0.00 C ATOM 0 H PHE A 75 -0.184 0.059 6.804 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.838 1.889 8.455 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.779 -0.216 6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.788 0.560 7.702 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.533 3.283 7.718 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.848 0.679 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.455 5.262 6.210 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.845 2.653 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.026 4.937 3.786 1.00 0.00 H new ATOM 1190 N GLN A 76 -0.936 0.267 10.159 1.00 0.00 N ATOM 1191 CA GLN A 76 -0.845 -0.599 11.319 1.00 0.00 C ATOM 1192 C GLN A 76 -2.248 -0.827 11.913 1.00 0.00 C ATOM 1193 O GLN A 76 -3.228 -0.202 11.492 1.00 0.00 O ATOM 1194 CB GLN A 76 0.173 -0.029 12.321 1.00 0.00 C ATOM 1195 CG GLN A 76 -0.270 1.282 12.985 1.00 0.00 C ATOM 1196 CD GLN A 76 0.754 1.760 14.014 1.00 0.00 C ATOM 1197 OE1 GLN A 76 0.779 1.266 15.140 1.00 0.00 O ATOM 1198 NE2 GLN A 76 1.589 2.727 13.670 1.00 0.00 N ATOM 0 H GLN A 76 -0.533 1.194 10.295 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.471 -1.582 11.034 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.359 -0.772 13.096 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.119 0.138 11.806 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.408 2.049 12.223 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.235 1.138 13.470 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.552 3.123 12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.270 3.076 14.344 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.351 -1.708 12.905 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.633 -2.124 13.463 1.00 0.00 C ATOM 1209 C GLY A 77 -4.458 -2.929 12.458 1.00 0.00 C ATOM 1210 O GLY A 77 -3.977 -3.296 11.382 1.00 0.00 O ATOM 0 H GLY A 77 -1.546 -2.154 13.345 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.462 -2.725 14.356 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.197 -1.244 13.773 1.00 0.00 H new ATOM 1214 N SER A 78 -5.664 -3.324 12.850 1.00 0.00 N ATOM 1215 CA SER A 78 -6.419 -4.394 12.201 1.00 0.00 C ATOM 1216 C SER A 78 -7.255 -3.944 10.995 1.00 0.00 C ATOM 1217 O SER A 78 -8.134 -4.696 10.565 1.00 0.00 O ATOM 1218 CB SER A 78 -7.271 -5.046 13.298 1.00 0.00 C ATOM 1219 OG SER A 78 -8.099 -4.105 13.958 1.00 0.00 O ATOM 0 H SER A 78 -6.154 -2.904 13.640 1.00 0.00 H new ATOM 0 HA SER A 78 -5.725 -5.108 11.757 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.890 -5.828 12.859 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.618 -5.527 14.026 1.00 0.00 H new ATOM 0 HG SER A 78 -8.626 -4.560 14.647 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.049 -2.716 10.510 1.00 0.00 N ATOM 1226 CA LYS A 79 -7.931 -2.026 9.572 1.00 0.00 C ATOM 1227 C LYS A 79 -8.150 -2.823 8.290 1.00 0.00 C ATOM 1228 O LYS A 79 -7.236 -3.489 7.807 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.333 -0.652 9.219 1.00 0.00 C ATOM 1230 CG LYS A 79 -7.715 0.462 10.200 1.00 0.00 C ATOM 1231 CD LYS A 79 -7.190 0.270 11.629 1.00 0.00 C ATOM 1232 CE LYS A 79 -7.588 1.425 12.555 1.00 0.00 C ATOM 1233 NZ LYS A 79 -9.053 1.569 12.694 1.00 0.00 N ATOM 0 H LYS A 79 -6.235 -2.159 10.770 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.899 -1.909 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.247 -0.737 9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.661 -0.370 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.340 1.410 9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.802 0.539 10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.576 -0.666 12.033 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.104 0.183 11.606 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.148 1.264 13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.171 2.355 12.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.265 2.259 13.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.456 1.900 11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.470 0.649 12.943 1.00 0.00 H new ATOM 1247 N THR A 80 -9.327 -2.653 7.697 1.00 0.00 N ATOM 1248 CA THR A 80 -9.703 -3.240 6.416 1.00 0.00 C ATOM 1249 C THR A 80 -9.874 -2.158 5.333 1.00 0.00 C ATOM 1250 O THR A 80 -10.356 -2.431 4.237 1.00 0.00 O ATOM 1251 CB THR A 80 -10.934 -4.136 6.620 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.036 -3.408 7.107 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.658 -5.279 7.606 1.00 0.00 C ATOM 0 H THR A 80 -10.068 -2.085 8.107 1.00 0.00 H new ATOM 0 HA THR A 80 -8.903 -3.878 6.039 1.00 0.00 H new ATOM 0 HB THR A 80 -11.162 -4.545 5.636 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.800 -4.010 7.223 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.556 -5.886 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.846 -5.899 7.226 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.376 -4.864 8.574 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.482 -0.915 5.628 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.455 0.197 4.691 1.00 0.00 C ATOM 1263 C HIS A 81 -8.338 1.161 5.082 1.00 0.00 C ATOM 1264 O HIS A 81 -7.897 1.175 6.236 1.00 0.00 O ATOM 1265 CB HIS A 81 -10.817 0.920 4.629 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.272 1.631 5.886 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -12.058 2.763 5.930 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.033 1.254 7.180 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -12.313 3.032 7.222 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -11.698 2.143 8.022 1.00 0.00 N ATOM 0 H HIS A 81 -9.165 -0.653 6.561 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.258 -0.193 3.692 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.777 1.651 3.821 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.578 0.188 4.359 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -12.387 3.299 5.127 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.433 0.413 7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -12.927 3.849 7.570 1.00 0.00 H new ATOM 1278 N GLY A 82 -7.909 2.002 4.146 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.838 2.967 4.329 1.00 0.00 C ATOM 1280 C GLY A 82 -6.981 4.064 3.288 1.00 0.00 C ATOM 1281 O GLY A 82 -7.381 3.787 2.154 1.00 0.00 O ATOM 0 H GLY A 82 -8.313 2.029 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.880 3.391 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.869 2.478 4.230 1.00 0.00 H new ATOM 1285 N MET A 83 -6.680 5.306 3.665 1.00 0.00 N ATOM 1286 CA MET A 83 -6.754 6.433 2.746 1.00 0.00 C ATOM 1287 C MET A 83 -5.444 6.559 1.976 1.00 0.00 C ATOM 1288 O MET A 83 -4.375 6.312 2.525 1.00 0.00 O ATOM 1289 CB MET A 83 -7.059 7.737 3.491 1.00 0.00 C ATOM 1290 CG MET A 83 -8.340 7.643 4.328 1.00 0.00 C ATOM 1291 SD MET A 83 -9.086 9.245 4.710 1.00 0.00 S ATOM 1292 CE MET A 83 -10.130 9.409 3.238 1.00 0.00 C ATOM 0 H MET A 83 -6.381 5.555 4.608 1.00 0.00 H new ATOM 0 HA MET A 83 -7.568 6.250 2.045 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.220 7.986 4.141 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.157 8.550 2.771 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.068 7.033 3.793 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.115 7.126 5.261 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.470 10.440 3.146 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.556 9.136 2.353 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.993 8.749 3.328 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.513 7.006 0.727 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.395 7.315 -0.147 1.00 0.00 C ATOM 1304 C LEU A 84 -4.338 8.845 -0.234 1.00 0.00 C ATOM 1305 O LEU A 84 -5.118 9.393 -1.006 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.643 6.649 -1.532 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.626 5.587 -1.979 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.165 6.031 -1.986 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.778 4.337 -1.119 1.00 0.00 C ATOM 0 H LEU A 84 -6.411 7.172 0.272 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.443 6.934 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.631 6.189 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.669 7.434 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.866 5.388 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.535 5.205 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.044 6.874 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.871 6.331 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.056 3.586 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.600 4.591 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.787 3.940 -1.229 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.538 9.562 0.578 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.345 11.011 0.458 1.00 0.00 C ATOM 1323 C PRO A 85 -2.144 11.364 -0.431 1.00 0.00 C ATOM 1324 O PRO A 85 -1.292 10.514 -0.697 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.078 11.467 1.897 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.277 10.295 2.468 1.00 0.00 C ATOM 1327 CD PRO A 85 -2.934 9.081 1.811 1.00 0.00 C ATOM 0 HA PRO A 85 -4.207 11.492 -0.004 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.514 12.399 1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.003 11.634 2.449 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.219 10.368 2.216 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.343 10.252 3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.198 8.304 1.606 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.686 8.643 2.467 1.00 0.00 H new ATOM 1335 N GLY A 86 -2.018 12.634 -0.831 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.894 13.113 -1.638 1.00 0.00 C ATOM 1337 C GLY A 86 -1.026 12.743 -3.117 1.00 0.00 C ATOM 1338 O GLY A 86 -0.024 12.687 -3.838 1.00 0.00 O ATOM 0 H GLY A 86 -2.697 13.360 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.821 14.197 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.033 12.696 -1.245 1.00 0.00 H new ATOM 1342 N LEU A 87 -2.242 12.432 -3.570 1.00 0.00 N ATOM 1343 CA LEU A 87 -2.507 11.986 -4.933 1.00 0.00 C ATOM 1344 C LEU A 87 -2.677 13.203 -5.830 1.00 0.00 C ATOM 1345 O LEU A 87 -2.803 14.337 -5.355 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.758 11.088 -4.982 1.00 0.00 C ATOM 1347 CG LEU A 87 -3.530 9.632 -4.550 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -2.690 8.788 -5.494 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -2.887 9.560 -3.173 1.00 0.00 C ATOM 0 H LEU A 87 -3.079 12.485 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.665 11.392 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.525 11.525 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.150 11.092 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.536 9.212 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.593 7.780 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.173 8.744 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.701 9.234 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.738 8.517 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.924 10.071 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.537 10.041 -2.442 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.690 12.953 -7.130 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.775 13.928 -8.176 1.00 0.00 C ATOM 1363 C GLU A 88 -4.151 13.772 -8.836 1.00 0.00 C ATOM 1364 O GLU A 88 -4.566 12.647 -9.143 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.640 13.554 -9.115 1.00 0.00 C ATOM 1366 CG GLU A 88 -1.471 14.465 -10.309 1.00 0.00 C ATOM 1367 CD GLU A 88 -0.567 15.669 -10.028 1.00 0.00 C ATOM 1368 OE1 GLU A 88 0.615 15.482 -9.650 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -1.036 16.816 -10.200 1.00 0.00 O ATOM 0 H GLU A 88 -2.638 12.001 -7.492 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.683 14.966 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.708 13.545 -8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.805 12.538 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.055 13.893 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.451 14.821 -10.627 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.890 14.870 -9.035 1.00 0.00 N ATOM 1377 CA PRO A 89 -6.186 14.815 -9.674 1.00 0.00 C ATOM 1378 C PRO A 89 -6.059 14.596 -11.185 1.00 0.00 C ATOM 1379 O PRO A 89 -5.023 14.893 -11.782 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.847 16.147 -9.361 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.745 17.084 -8.855 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.490 16.233 -8.755 1.00 0.00 C ATOM 0 HA PRO A 89 -6.777 13.976 -9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.326 16.559 -10.250 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.625 16.024 -8.608 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.597 17.919 -9.540 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.007 17.509 -7.886 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.736 16.569 -9.467 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.048 16.311 -7.762 1.00 0.00 H new ATOM 1390 N PHE A 90 -7.161 14.181 -11.816 1.00 0.00 N ATOM 1391 CA PHE A 90 -7.261 13.922 -13.248 1.00 0.00 C ATOM 1392 C PHE A 90 -6.132 13.000 -13.752 1.00 0.00 C ATOM 1393 O PHE A 90 -5.569 13.226 -14.826 1.00 0.00 O ATOM 1394 CB PHE A 90 -7.392 15.265 -14.002 1.00 0.00 C ATOM 1395 CG PHE A 90 -8.078 15.137 -15.353 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -9.389 14.628 -15.434 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -7.394 15.467 -16.540 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -9.979 14.375 -16.683 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -7.989 15.219 -17.792 1.00 0.00 C ATOM 1400 CZ PHE A 90 -9.267 14.640 -17.863 1.00 0.00 C ATOM 0 H PHE A 90 -8.037 14.011 -11.323 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.167 13.354 -13.460 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.952 15.967 -13.384 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.399 15.690 -14.146 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.944 14.431 -14.529 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.411 15.911 -16.489 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.981 13.976 -16.736 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.462 15.474 -18.699 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.700 14.400 -18.823 1.00 0.00 H new ATOM 1410 N SER A 91 -5.779 11.966 -12.981 1.00 0.00 N ATOM 1411 CA SER A 91 -4.700 11.026 -13.273 1.00 0.00 C ATOM 1412 C SER A 91 -5.146 9.585 -12.993 1.00 0.00 C ATOM 1413 O SER A 91 -6.075 9.380 -12.206 1.00 0.00 O ATOM 1414 CB SER A 91 -3.485 11.390 -12.413 1.00 0.00 C ATOM 1415 OG SER A 91 -3.030 12.707 -12.671 1.00 0.00 O ATOM 0 H SER A 91 -6.257 11.756 -12.105 1.00 0.00 H new ATOM 0 HA SER A 91 -4.435 11.091 -14.328 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.745 11.296 -11.359 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.678 10.683 -12.607 1.00 0.00 H new ATOM 0 HG SER A 91 -3.697 13.351 -12.355 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.473 8.593 -13.595 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.666 7.183 -13.270 1.00 0.00 C ATOM 1423 C HIS A 92 -3.625 6.759 -12.231 1.00 0.00 C ATOM 1424 O HIS A 92 -2.515 7.304 -12.176 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.561 6.317 -14.539 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.200 4.952 -14.411 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -4.591 3.731 -14.607 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.516 4.709 -14.123 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -5.520 2.779 -14.429 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -6.722 3.323 -14.159 1.00 0.00 N ATOM 0 H HIS A 92 -3.778 8.753 -14.324 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.663 7.040 -12.853 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -5.028 6.849 -15.368 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.509 6.191 -14.794 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.265 5.456 -13.906 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.329 1.718 -14.494 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.602 2.828 -14.011 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.951 5.741 -11.440 1.00 0.00 N ATOM 1439 CA TYR A 93 -3.123 5.227 -10.361 1.00 0.00 C ATOM 1440 C TYR A 93 -3.345 3.724 -10.202 1.00 0.00 C ATOM 1441 O TYR A 93 -4.423 3.224 -10.516 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.500 5.966 -9.073 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.722 7.248 -8.855 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -1.454 7.201 -8.243 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -3.279 8.487 -9.222 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -0.749 8.386 -7.975 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -2.589 9.676 -8.937 1.00 0.00 C ATOM 1448 CZ TYR A 93 -1.331 9.632 -8.295 1.00 0.00 C ATOM 1449 OH TYR A 93 -0.712 10.789 -7.944 1.00 0.00 O ATOM 0 H TYR A 93 -4.831 5.235 -11.539 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.068 5.389 -10.583 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.565 6.197 -9.096 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.336 5.303 -8.223 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.021 6.248 -7.978 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.236 8.523 -9.722 1.00 0.00 H new ATOM 0 HE1 TYR A 93 0.233 8.344 -7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.021 10.628 -9.209 1.00 0.00 H new ATOM 0 HH TYR A 93 0.218 10.601 -7.698 1.00 0.00 H new ATOM 1459 N THR A 94 -2.341 3.024 -9.670 1.00 0.00 N ATOM 1460 CA THR A 94 -2.373 1.603 -9.332 1.00 0.00 C ATOM 1461 C THR A 94 -1.954 1.468 -7.858 1.00 0.00 C ATOM 1462 O THR A 94 -1.197 2.317 -7.379 1.00 0.00 O ATOM 1463 CB THR A 94 -1.442 0.842 -10.301 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.794 1.102 -11.653 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.478 -0.674 -10.112 1.00 0.00 C ATOM 0 H THR A 94 -1.442 3.455 -9.454 1.00 0.00 H new ATOM 0 HA THR A 94 -3.367 1.169 -9.442 1.00 0.00 H new ATOM 0 HB THR A 94 -0.440 1.205 -10.071 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.190 0.611 -12.248 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.801 -1.146 -10.824 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.167 -0.922 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.492 -1.038 -10.279 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.444 0.464 -7.123 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.040 0.065 -5.772 1.00 0.00 C ATOM 1475 C LEU A 95 -2.263 -1.439 -5.567 1.00 0.00 C ATOM 1476 O LEU A 95 -3.107 -2.022 -6.244 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.755 0.881 -4.690 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.297 0.883 -4.587 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.080 0.818 -5.890 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.793 -0.259 -3.692 1.00 0.00 C ATOM 0 H LEU A 95 -3.187 -0.134 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.975 0.276 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.371 0.542 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.441 1.918 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.496 1.867 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.148 0.826 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.828 1.679 -6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.825 -0.098 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.881 -0.233 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.473 -1.214 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.377 -0.144 -2.691 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.575 -2.062 -4.602 1.00 0.00 N ATOM 1493 CA ASN A 96 -1.847 -3.432 -4.128 1.00 0.00 C ATOM 1494 C ASN A 96 -1.536 -3.558 -2.641 1.00 0.00 C ATOM 1495 O ASN A 96 -0.574 -2.967 -2.153 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.079 -4.535 -4.889 1.00 0.00 C ATOM 1497 CG ASN A 96 0.354 -4.211 -5.276 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.631 -3.912 -6.436 1.00 0.00 O ATOM 1499 ND2 ASN A 96 1.293 -4.302 -4.354 1.00 0.00 N ATOM 0 H ASN A 96 -0.795 -1.620 -4.115 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.908 -3.590 -4.321 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.072 -5.435 -4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.633 -4.774 -5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.267 -4.123 -4.599 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.045 -4.551 -3.396 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.326 -4.371 -1.936 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.274 -4.588 -0.492 1.00 0.00 C ATOM 1508 C VAL A 97 -1.423 -5.839 -0.217 1.00 0.00 C ATOM 1509 O VAL A 97 -1.391 -6.761 -1.032 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.722 -4.745 0.050 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -3.784 -4.506 1.563 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.744 -3.796 -0.610 1.00 0.00 C ATOM 0 H VAL A 97 -3.057 -4.924 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.816 -3.740 0.018 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.992 -5.772 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.811 -4.624 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.145 -5.228 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.440 -3.496 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.730 -3.966 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.446 -2.762 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.779 -3.988 -1.682 1.00 0.00 H new ATOM 1522 N ARG A 98 -0.755 -5.920 0.935 1.00 0.00 N ATOM 1523 CA ARG A 98 0.033 -7.074 1.381 1.00 0.00 C ATOM 1524 C ARG A 98 -0.145 -7.153 2.895 1.00 0.00 C ATOM 1525 O ARG A 98 -0.103 -6.105 3.552 1.00 0.00 O ATOM 1526 CB ARG A 98 1.497 -6.850 0.941 1.00 0.00 C ATOM 1527 CG ARG A 98 2.321 -8.133 0.732 1.00 0.00 C ATOM 1528 CD ARG A 98 3.675 -7.799 0.071 1.00 0.00 C ATOM 1529 NE ARG A 98 4.364 -8.997 -0.448 1.00 0.00 N ATOM 1530 CZ ARG A 98 5.497 -9.016 -1.169 1.00 0.00 C ATOM 1531 NH1 ARG A 98 6.268 -7.941 -1.228 1.00 0.00 N ATOM 1532 NH2 ARG A 98 5.854 -10.104 -1.845 1.00 0.00 N ATOM 0 H ARG A 98 -0.747 -5.155 1.610 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.284 -8.022 0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.497 -6.281 0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.995 -6.235 1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.488 -8.626 1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.766 -8.832 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.513 -7.095 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.317 -7.301 0.798 1.00 0.00 H new ATOM 0 HE ARG A 98 3.937 -9.899 -0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.002 -7.095 -0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.128 -7.959 -1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.265 -10.936 -1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.717 -10.106 -2.389 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.418 -8.338 3.448 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.480 -8.486 4.900 1.00 0.00 C ATOM 1548 C VAL A 99 0.951 -8.444 5.434 1.00 0.00 C ATOM 1549 O VAL A 99 1.902 -8.819 4.731 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.268 -9.754 5.332 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.554 -9.974 4.504 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.441 -11.044 5.363 1.00 0.00 C ATOM 0 H VAL A 99 -0.596 -9.193 2.921 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.045 -7.664 5.339 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.547 -9.536 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.061 -10.874 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.215 -9.116 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.294 -10.088 3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.074 -11.875 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.043 -11.245 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.383 -10.931 6.067 1.00 0.00 H new ATOM 1562 N VAL A 100 1.093 -7.980 6.673 1.00 0.00 N ATOM 1563 CA VAL A 100 2.356 -7.921 7.370 1.00 0.00 C ATOM 1564 C VAL A 100 2.091 -8.377 8.801 1.00 0.00 C ATOM 1565 O VAL A 100 1.120 -7.975 9.450 1.00 0.00 O ATOM 1566 CB VAL A 100 2.929 -6.499 7.288 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.250 -6.393 8.075 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.176 -6.062 5.833 1.00 0.00 C ATOM 0 H VAL A 100 0.310 -7.629 7.225 1.00 0.00 H new ATOM 0 HA VAL A 100 3.107 -8.573 6.923 1.00 0.00 H new ATOM 0 HB VAL A 100 2.184 -5.836 7.729 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.636 -5.376 8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.071 -6.639 9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.978 -7.089 7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.581 -5.050 5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.886 -6.743 5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.236 -6.083 5.282 1.00 0.00 H new ATOM 1578 N ASN A 101 2.985 -9.210 9.304 1.00 0.00 N ATOM 1579 CA ASN A 101 2.989 -9.773 10.635 1.00 0.00 C ATOM 1580 C ASN A 101 4.412 -9.651 11.167 1.00 0.00 C ATOM 1581 O ASN A 101 5.254 -8.990 10.557 1.00 0.00 O ATOM 1582 CB ASN A 101 2.438 -11.212 10.624 1.00 0.00 C ATOM 1583 CG ASN A 101 3.336 -12.243 9.957 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.507 -12.016 9.656 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.782 -13.396 9.640 1.00 0.00 N ATOM 0 H ASN A 101 3.780 -9.530 8.752 1.00 0.00 H new ATOM 0 HA ASN A 101 2.323 -9.233 11.308 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.257 -11.523 11.653 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.473 -11.211 10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.324 -14.103 9.144 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.811 -13.581 9.891 1.00 0.00 H new ATOM 1592 N GLY A 102 4.680 -10.227 12.331 1.00 0.00 N ATOM 1593 CA GLY A 102 5.941 -10.039 13.027 1.00 0.00 C ATOM 1594 C GLY A 102 7.099 -10.863 12.454 1.00 0.00 C ATOM 1595 O GLY A 102 8.118 -10.996 13.141 1.00 0.00 O ATOM 0 H GLY A 102 4.026 -10.839 12.819 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.209 -8.983 12.993 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.807 -10.301 14.077 1.00 0.00 H new ATOM 1599 N LYS A 103 6.957 -11.443 11.257 1.00 0.00 N ATOM 1600 CA LYS A 103 7.944 -12.296 10.602 1.00 0.00 C ATOM 1601 C LYS A 103 8.301 -11.726 9.233 1.00 0.00 C ATOM 1602 O LYS A 103 9.490 -11.527 8.975 1.00 0.00 O ATOM 1603 CB LYS A 103 7.386 -13.718 10.493 1.00 0.00 C ATOM 1604 CG LYS A 103 8.439 -14.767 10.123 1.00 0.00 C ATOM 1605 CD LYS A 103 9.505 -15.019 11.200 1.00 0.00 C ATOM 1606 CE LYS A 103 10.107 -16.404 10.938 1.00 0.00 C ATOM 1607 NZ LYS A 103 11.151 -16.783 11.905 1.00 0.00 N ATOM 0 H LYS A 103 6.113 -11.323 10.697 1.00 0.00 H new ATOM 0 HA LYS A 103 8.860 -12.330 11.192 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.930 -13.994 11.444 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.594 -13.731 9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.933 -15.708 9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.937 -14.453 9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.278 -14.251 11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.062 -14.975 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.311 -17.148 10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.529 -16.424 9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.515 -17.729 11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.928 -16.093 11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.748 -16.795 12.864 1.00 0.00 H new ATOM 1621 N GLY A 104 7.323 -11.481 8.358 1.00 0.00 N ATOM 1622 CA GLY A 104 7.584 -11.076 6.983 1.00 0.00 C ATOM 1623 C GLY A 104 6.295 -10.881 6.192 1.00 0.00 C ATOM 1624 O GLY A 104 5.195 -11.007 6.736 1.00 0.00 O ATOM 0 H GLY A 104 6.332 -11.559 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.155 -10.148 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.200 -11.830 6.493 1.00 0.00 H new ATOM 1628 N GLU A 105 6.422 -10.527 4.913 1.00 0.00 N ATOM 1629 CA GLU A 105 5.282 -10.216 4.049 1.00 0.00 C ATOM 1630 C GLU A 105 4.679 -11.502 3.461 1.00 0.00 C ATOM 1631 O GLU A 105 5.363 -12.517 3.286 1.00 0.00 O ATOM 1632 CB GLU A 105 5.701 -9.246 2.922 1.00 0.00 C ATOM 1633 CG GLU A 105 6.282 -7.924 3.452 1.00 0.00 C ATOM 1634 CD GLU A 105 6.428 -6.821 2.391 1.00 0.00 C ATOM 1635 OE1 GLU A 105 6.942 -7.077 1.278 1.00 0.00 O ATOM 1636 OE2 GLU A 105 6.103 -5.648 2.687 1.00 0.00 O ATOM 0 H GLU A 105 7.324 -10.447 4.444 1.00 0.00 H new ATOM 0 HA GLU A 105 4.519 -9.727 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.441 -9.733 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.836 -9.031 2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.642 -7.556 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.261 -8.121 3.890 1.00 0.00 H new ATOM 1643 N GLY A 106 3.392 -11.457 3.105 1.00 0.00 N ATOM 1644 CA GLY A 106 2.676 -12.532 2.419 1.00 0.00 C ATOM 1645 C GLY A 106 2.529 -12.269 0.924 1.00 0.00 C ATOM 1646 O GLY A 106 3.174 -11.361 0.393 1.00 0.00 O ATOM 0 H GLY A 106 2.803 -10.646 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.206 -13.472 2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.688 -12.649 2.864 1.00 0.00 H new ATOM 1650 N PRO A 107 1.741 -13.075 0.197 1.00 0.00 N ATOM 1651 CA PRO A 107 1.383 -12.765 -1.182 1.00 0.00 C ATOM 1652 C PRO A 107 0.540 -11.508 -1.195 1.00 0.00 C ATOM 1653 O PRO A 107 -0.317 -11.313 -0.336 1.00 0.00 O ATOM 1654 CB PRO A 107 0.610 -13.976 -1.698 1.00 0.00 C ATOM 1655 CG PRO A 107 0.058 -14.635 -0.434 1.00 0.00 C ATOM 1656 CD PRO A 107 1.007 -14.229 0.692 1.00 0.00 C ATOM 0 HA PRO A 107 2.249 -12.579 -1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.191 -13.678 -2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.258 -14.656 -2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.959 -14.299 -0.229 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.020 -15.719 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.455 -13.981 1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.685 -15.044 0.945 1.00 0.00 H new ATOM 1664 N ALA A 108 0.805 -10.630 -2.147 1.00 0.00 N ATOM 1665 CA ALA A 108 0.043 -9.408 -2.285 1.00 0.00 C ATOM 1666 C ALA A 108 -1.333 -9.726 -2.882 1.00 0.00 C ATOM 1667 O ALA A 108 -1.541 -10.787 -3.482 1.00 0.00 O ATOM 1668 CB ALA A 108 0.869 -8.465 -3.147 1.00 0.00 C ATOM 0 H ALA A 108 1.547 -10.745 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.149 -8.926 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.331 -7.526 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.825 -8.270 -2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.044 -8.922 -4.121 1.00 0.00 H new ATOM 1674 N SER A 109 -2.284 -8.811 -2.723 1.00 0.00 N ATOM 1675 CA SER A 109 -3.596 -8.864 -3.359 1.00 0.00 C ATOM 1676 C SER A 109 -3.414 -8.791 -4.890 1.00 0.00 C ATOM 1677 O SER A 109 -2.277 -8.616 -5.342 1.00 0.00 O ATOM 1678 CB SER A 109 -4.413 -7.712 -2.748 1.00 0.00 C ATOM 1679 OG SER A 109 -3.997 -6.428 -3.192 1.00 0.00 O ATOM 0 H SER A 109 -2.160 -7.989 -2.132 1.00 0.00 H new ATOM 0 HA SER A 109 -4.139 -9.793 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.465 -7.851 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.333 -7.756 -1.662 1.00 0.00 H new ATOM 0 HG SER A 109 -4.266 -6.302 -4.126 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.461 -8.849 -5.734 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.313 -8.286 -7.068 1.00 0.00 C ATOM 1687 C PRO A 110 -4.022 -6.790 -6.903 1.00 0.00 C ATOM 1688 O PRO A 110 -4.375 -6.192 -5.874 1.00 0.00 O ATOM 1689 CB PRO A 110 -5.632 -8.561 -7.788 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.646 -8.548 -6.646 1.00 0.00 C ATOM 1691 CD PRO A 110 -5.865 -9.127 -5.467 1.00 0.00 C ATOM 0 HA PRO A 110 -3.498 -8.716 -7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.853 -7.798 -8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.618 -9.520 -8.307 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.000 -7.539 -6.436 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.523 -9.151 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.181 -8.670 -4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.039 -10.199 -5.374 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.376 -6.191 -7.896 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.378 -4.747 -8.030 1.00 0.00 C ATOM 1701 C ASP A 111 -4.781 -4.287 -8.372 1.00 0.00 C ATOM 1702 O ASP A 111 -5.600 -5.013 -8.942 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.347 -4.232 -9.042 1.00 0.00 C ATOM 1704 CG ASP A 111 -2.567 -4.772 -10.453 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -2.282 -5.973 -10.662 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -2.931 -4.008 -11.372 1.00 0.00 O ATOM 0 H ASP A 111 -2.847 -6.684 -8.616 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.074 -4.318 -7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.385 -3.143 -9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.348 -4.509 -8.706 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.072 -3.065 -7.964 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.275 -2.348 -8.309 1.00 0.00 C ATOM 1713 C ARG A 112 -5.831 -1.054 -8.917 1.00 0.00 C ATOM 1714 O ARG A 112 -4.696 -0.609 -8.729 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.158 -2.121 -7.076 1.00 0.00 C ATOM 1716 CG ARG A 112 -7.832 -3.424 -6.662 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.063 -3.738 -7.504 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.544 -5.103 -7.265 1.00 0.00 N ATOM 1719 CZ ARG A 112 -9.162 -6.203 -7.924 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -8.119 -6.207 -8.749 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -9.834 -7.329 -7.750 1.00 0.00 N ATOM 0 H ARG A 112 -4.449 -2.529 -7.360 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.886 -2.916 -9.011 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.554 -1.738 -6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.913 -1.366 -7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.118 -4.243 -6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.120 -3.363 -5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.855 -3.026 -7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -8.824 -3.615 -8.560 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.236 -5.225 -6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -7.582 -5.353 -8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -7.856 -7.065 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -10.635 -7.353 -7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -9.552 -8.174 -8.247 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.758 -0.444 -9.624 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.498 0.801 -10.311 1.00 0.00 C ATOM 1737 C VAL A 113 -7.614 1.776 -9.979 1.00 0.00 C ATOM 1738 O VAL A 113 -8.748 1.358 -9.729 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.248 0.553 -11.807 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.258 -0.595 -12.064 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.535 0.279 -12.583 1.00 0.00 C ATOM 0 H VAL A 113 -7.709 -0.796 -9.738 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.575 1.268 -9.968 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.809 1.482 -12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.121 -0.724 -13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.300 -0.359 -11.601 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.651 -1.517 -11.635 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.298 0.111 -13.634 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.024 -0.606 -12.176 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.203 1.136 -12.494 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.313 3.069 -9.968 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.297 4.112 -9.745 1.00 0.00 C ATOM 1753 C PHE A 114 -7.910 5.341 -10.552 1.00 0.00 C ATOM 1754 O PHE A 114 -6.791 5.454 -11.057 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.476 4.398 -8.243 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.266 4.898 -7.476 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.386 3.962 -6.906 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.089 6.271 -7.206 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.387 4.378 -6.015 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -6.067 6.693 -6.332 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.230 5.740 -5.719 1.00 0.00 C ATOM 0 H PHE A 114 -6.368 3.423 -10.116 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.275 3.782 -10.094 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.272 5.135 -8.133 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.822 3.482 -7.765 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.480 2.916 -7.156 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.737 7.000 -7.670 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.737 3.648 -5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.926 7.745 -6.133 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.469 6.058 -5.022 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.862 6.252 -10.687 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.817 7.447 -11.508 1.00 0.00 C ATOM 1773 C ASN A 115 -9.375 8.592 -10.672 1.00 0.00 C ATOM 1774 O ASN A 115 -10.303 8.369 -9.886 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.674 7.235 -12.763 1.00 0.00 C ATOM 1776 CG ASN A 115 -11.121 6.861 -12.445 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.958 7.712 -12.172 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.461 5.582 -12.456 1.00 0.00 N ATOM 0 H ASN A 115 -9.748 6.167 -10.189 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.798 7.671 -11.824 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.664 8.146 -13.361 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.227 6.449 -13.372 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.419 5.307 -12.237 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.765 4.871 -12.683 1.00 0.00 H new ATOM 1785 N THR A 116 -8.829 9.796 -10.822 1.00 0.00 N ATOM 1786 CA THR A 116 -9.163 10.935 -9.970 1.00 0.00 C ATOM 1787 C THR A 116 -9.957 11.994 -10.767 1.00 0.00 C ATOM 1788 O THR A 116 -9.804 12.072 -11.989 1.00 0.00 O ATOM 1789 CB THR A 116 -7.868 11.432 -9.297 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.855 11.674 -10.250 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.314 10.406 -8.305 1.00 0.00 C ATOM 0 H THR A 116 -8.139 10.010 -11.542 1.00 0.00 H new ATOM 0 HA THR A 116 -9.840 10.657 -9.162 1.00 0.00 H new ATOM 0 HB THR A 116 -8.136 12.352 -8.778 1.00 0.00 H new ATOM 0 HG1 THR A 116 -6.028 11.931 -9.791 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.401 10.794 -7.852 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.053 10.216 -7.527 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.092 9.476 -8.829 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.803 12.816 -10.111 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.984 13.403 -10.742 1.00 0.00 C ATOM 1801 C PRO A 117 -11.641 14.451 -11.800 1.00 0.00 C ATOM 1802 O PRO A 117 -11.877 14.217 -12.980 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.865 13.936 -9.602 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.924 14.038 -8.402 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.913 12.937 -8.669 1.00 0.00 C ATOM 0 HA PRO A 117 -12.529 12.653 -11.314 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -13.294 14.906 -9.853 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.698 13.263 -9.397 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.449 15.017 -8.343 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.451 13.883 -7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.948 13.182 -8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.238 11.996 -8.225 1.00 0.00 H new ATOM 1813 N GLU A 118 -11.103 15.600 -11.387 1.00 0.00 N ATOM 1814 CA GLU A 118 -10.492 16.605 -12.252 1.00 0.00 C ATOM 1815 C GLU A 118 -9.637 17.561 -11.415 1.00 0.00 C ATOM 1816 O GLU A 118 -8.516 17.915 -11.770 1.00 0.00 O ATOM 1817 CB GLU A 118 -11.550 17.403 -13.021 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.855 18.255 -14.093 1.00 0.00 C ATOM 1819 CD GLU A 118 -11.806 19.080 -14.955 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -12.785 19.661 -14.422 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -11.552 19.206 -16.181 1.00 0.00 O ATOM 0 H GLU A 118 -11.081 15.864 -10.402 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.865 16.085 -12.977 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.268 16.726 -13.485 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.110 18.042 -12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.150 18.928 -13.605 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.273 17.599 -14.741 1.00 0.00 H new ATOM 1828 N GLY A 119 -10.172 17.928 -10.253 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.530 18.745 -9.234 1.00 0.00 C ATOM 1830 C GLY A 119 -9.488 20.231 -9.577 1.00 0.00 C ATOM 1831 O GLY A 119 -8.407 20.816 -9.567 1.00 0.00 O ATOM 0 H GLY A 119 -11.115 17.647 -9.986 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.058 18.614 -8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.512 18.387 -9.082 1.00 0.00 H new ATOM 1835 N SER A 120 -10.639 20.870 -9.783 1.00 0.00 N ATOM 1836 CA SER A 120 -10.733 22.313 -10.012 1.00 0.00 C ATOM 1837 C SER A 120 -10.534 23.163 -8.739 1.00 0.00 C ATOM 1838 O SER A 120 -10.550 24.394 -8.824 1.00 0.00 O ATOM 1839 CB SER A 120 -12.097 22.612 -10.638 1.00 0.00 C ATOM 1840 OG SER A 120 -11.997 23.680 -11.555 1.00 0.00 O ATOM 0 H SER A 120 -11.542 20.396 -9.796 1.00 0.00 H new ATOM 0 HA SER A 120 -9.918 22.593 -10.680 1.00 0.00 H new ATOM 0 HB2 SER A 120 -12.473 21.724 -11.145 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.815 22.862 -9.857 1.00 0.00 H new ATOM 0 HG SER A 120 -12.877 23.858 -11.948 1.00 0.00 H new ATOM 1846 N GLY A 121 -10.380 22.547 -7.561 1.00 0.00 N ATOM 1847 CA GLY A 121 -10.319 23.274 -6.296 1.00 0.00 C ATOM 1848 C GLY A 121 -11.706 23.802 -5.917 1.00 0.00 C ATOM 1849 O GLY A 121 -12.697 23.373 -6.516 1.00 0.00 O ATOM 0 H GLY A 121 -10.295 21.535 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -9.945 22.618 -5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -9.617 24.104 -6.379 1.00 0.00 H new ATOM 1853 N PRO A 122 -11.825 24.677 -4.902 1.00 0.00 N ATOM 1854 CA PRO A 122 -13.102 25.295 -4.554 1.00 0.00 C ATOM 1855 C PRO A 122 -13.696 26.080 -5.728 1.00 0.00 C ATOM 1856 O PRO A 122 -12.998 26.404 -6.692 1.00 0.00 O ATOM 1857 CB PRO A 122 -12.832 26.206 -3.353 1.00 0.00 C ATOM 1858 CG PRO A 122 -11.324 26.427 -3.390 1.00 0.00 C ATOM 1859 CD PRO A 122 -10.769 25.156 -4.025 1.00 0.00 C ATOM 0 HA PRO A 122 -13.841 24.532 -4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -13.376 27.147 -3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -13.144 25.739 -2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -11.066 27.309 -3.976 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -10.920 26.580 -2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -9.856 25.361 -4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.519 24.414 -3.267 1.00 0.00 H new ATOM 1867 N SER A 123 -14.974 26.427 -5.620 1.00 0.00 N ATOM 1868 CA SER A 123 -15.665 27.339 -6.515 1.00 0.00 C ATOM 1869 C SER A 123 -16.615 28.186 -5.654 1.00 0.00 C ATOM 1870 O SER A 123 -16.323 28.398 -4.473 1.00 0.00 O ATOM 1871 CB SER A 123 -16.327 26.539 -7.646 1.00 0.00 C ATOM 1872 OG SER A 123 -16.549 27.390 -8.749 1.00 0.00 O ATOM 0 H SER A 123 -15.576 26.066 -4.880 1.00 0.00 H new ATOM 0 HA SER A 123 -14.998 28.034 -7.026 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.690 25.704 -7.938 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.271 26.115 -7.303 1.00 0.00 H new ATOM 0 HG SER A 123 -16.970 26.883 -9.474 1.00 0.00 H new ATOM 1878 N SER A 124 -17.711 28.708 -6.219 1.00 0.00 N ATOM 1879 CA SER A 124 -18.614 29.637 -5.545 1.00 0.00 C ATOM 1880 C SER A 124 -19.081 29.098 -4.187 1.00 0.00 C ATOM 1881 O SER A 124 -19.048 29.849 -3.213 1.00 0.00 O ATOM 1882 CB SER A 124 -19.802 29.961 -6.462 1.00 0.00 C ATOM 1883 OG SER A 124 -20.485 31.125 -6.037 1.00 0.00 O ATOM 0 H SER A 124 -17.996 28.490 -7.174 1.00 0.00 H new ATOM 0 HA SER A 124 -18.069 30.558 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 124 -19.447 30.099 -7.483 1.00 0.00 H new ATOM 0 HB3 SER A 124 -20.493 29.118 -6.476 1.00 0.00 H new ATOM 0 HG SER A 124 -21.234 31.304 -6.643 1.00 0.00 H new ATOM 1889 N GLY A 125 -19.478 27.827 -4.099 1.00 0.00 N ATOM 1890 CA GLY A 125 -19.883 27.194 -2.858 1.00 0.00 C ATOM 1891 C GLY A 125 -20.304 25.779 -3.159 1.00 0.00 C ATOM 1892 O GLY A 125 -19.775 24.852 -2.523 1.00 0.00 O ATOM 0 H GLY A 125 -19.525 27.205 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -19.060 27.201 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -20.706 27.745 -2.402 1.00 0.00 H new TER 1896 GLY A 125