USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 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: X 84 ASN : amide:sc= -1.89! K(o=-0.61!,f=0.9) USER MOD Set 1.2: X 87 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.2) USER MOD Set 2.1: X 27 LYS NZ :NH3+ -167:sc= 0.872 (180deg=0) USER MOD Set 2.2: X 96 ASN : amide:sc= 0.149 K(o=1,f=-3.3) USER MOD Single : X 1 MET CE :methyl 154:sc= -0.195 (180deg=-1.27) USER MOD Single : X 1 MET N :NH3+ 141:sc= 0.039 (180deg=0) USER MOD Single : X 3 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : X 6 SER OG : rot 180:sc= 0.0187 USER MOD Single : X 7 GLN : amide:sc=-0.00959 K(o=-0.0096,f=-1.6!) USER MOD Single : X 8 HIS : no HD1:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : X 16 LYS NZ :NH3+ -162:sc= -5.72! (180deg=-6.22!) USER MOD Single : X 17 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 20 LYS NZ :NH3+ 159:sc= -0.039 (180deg=-0.565) USER MOD Single : X 21 THR OG1 : rot -37:sc= 0.665 USER MOD Single : X 25 LYS NZ :NH3+ 162:sc= -0.0347 (180deg=-0.361) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 151:sc= 0.357 (180deg=0.0775) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 180:sc= -0.0955 USER MOD Single : X 42 CYS SG : rot 180:sc= 0 USER MOD Single : X 47 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.2) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ -160:sc= -0.0342 (180deg=-0.57) USER MOD Single : X 62 CYS SG : rot 76:sc= 0.643 USER MOD Single : X 64 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : X 69 THR OG1 : rot 84:sc= 1.21 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.713 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= 0 USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 98 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : X 100 MET CE :methyl 137:sc= -0.179 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 73.668 -7.590 -2.175 1.00 1.00 N ATOM 2 CA MET X 1 72.513 -7.656 -1.238 1.00 1.00 C ATOM 3 C MET X 1 71.615 -8.835 -1.616 1.00 1.00 C ATOM 4 O MET X 1 71.495 -9.189 -2.772 1.00 1.00 O ATOM 5 CB MET X 1 71.711 -6.356 -1.324 1.00 1.00 C ATOM 6 CG MET X 1 70.547 -6.407 -0.334 1.00 1.00 C ATOM 7 SD MET X 1 69.703 -4.806 -0.310 1.00 1.00 S ATOM 8 CE MET X 1 69.106 -4.839 -2.018 1.00 1.00 C ATOM 0 H1 MET X 1 73.878 -6.596 -2.398 1.00 1.00 H new ATOM 0 H2 MET X 1 74.500 -8.028 -1.731 1.00 1.00 H new ATOM 0 H3 MET X 1 73.434 -8.100 -3.051 1.00 1.00 H new ATOM 0 HA MET X 1 72.879 -7.790 -0.220 1.00 1.00 H new ATOM 0 HB2 MET X 1 72.354 -5.504 -1.102 1.00 1.00 H new ATOM 0 HB3 MET X 1 71.334 -6.215 -2.337 1.00 1.00 H new ATOM 0 HG2 MET X 1 69.848 -7.194 -0.618 1.00 1.00 H new ATOM 0 HG3 MET X 1 70.914 -6.651 0.663 1.00 1.00 H new ATOM 0 HE1 MET X 1 68.211 -4.222 -2.103 1.00 1.00 H new ATOM 0 HE2 MET X 1 69.879 -4.451 -2.681 1.00 1.00 H new ATOM 0 HE3 MET X 1 68.867 -5.864 -2.300 1.00 1.00 H new ATOM 20 N GLY X 2 70.981 -9.444 -0.653 1.00 1.00 N ATOM 21 CA GLY X 2 70.082 -10.593 -0.961 1.00 1.00 C ATOM 22 C GLY X 2 70.902 -11.882 -1.027 1.00 1.00 C ATOM 23 O GLY X 2 70.411 -12.923 -1.417 1.00 1.00 O ATOM 0 H GLY X 2 71.046 -9.196 0.334 1.00 1.00 H new ATOM 0 HA2 GLY X 2 69.311 -10.680 -0.196 1.00 1.00 H new ATOM 0 HA3 GLY X 2 69.572 -10.425 -1.910 1.00 1.00 H new ATOM 27 N GLN X 3 72.151 -11.822 -0.652 1.00 1.00 N ATOM 28 CA GLN X 3 73.003 -13.045 -0.698 1.00 1.00 C ATOM 29 C GLN X 3 72.927 -13.771 0.647 1.00 1.00 C ATOM 30 O GLN X 3 72.594 -13.188 1.659 1.00 1.00 O ATOM 31 CB GLN X 3 74.452 -12.645 -0.983 1.00 1.00 C ATOM 32 CG GLN X 3 74.565 -12.110 -2.412 1.00 1.00 C ATOM 33 CD GLN X 3 75.984 -11.592 -2.654 1.00 1.00 C ATOM 34 OE1 GLN X 3 76.841 -11.711 -1.800 1.00 1.00 O ATOM 35 NE2 GLN X 3 76.270 -11.016 -3.789 1.00 1.00 N ATOM 0 H GLN X 3 72.618 -10.980 -0.316 1.00 1.00 H new ATOM 0 HA GLN X 3 72.647 -13.707 -1.487 1.00 1.00 H new ATOM 0 HB2 GLN X 3 74.776 -11.885 -0.273 1.00 1.00 H new ATOM 0 HB3 GLN X 3 75.110 -13.504 -0.853 1.00 1.00 H new ATOM 0 HG2 GLN X 3 74.328 -12.898 -3.126 1.00 1.00 H new ATOM 0 HG3 GLN X 3 73.843 -11.309 -2.570 1.00 1.00 H new ATOM 0 HE21 GLN X 3 75.551 -10.916 -4.506 1.00 1.00 H new ATOM 0 HE22 GLN X 3 77.213 -10.666 -3.960 1.00 1.00 H new ATOM 44 N GLU X 4 73.233 -15.039 0.665 1.00 1.00 N ATOM 45 CA GLU X 4 73.176 -15.802 1.944 1.00 1.00 C ATOM 46 C GLU X 4 73.997 -15.074 3.011 1.00 1.00 C ATOM 47 O GLU X 4 75.119 -14.673 2.778 1.00 1.00 O ATOM 48 CB GLU X 4 73.750 -17.203 1.727 1.00 1.00 C ATOM 49 CG GLU X 4 72.868 -17.971 0.741 1.00 1.00 C ATOM 50 CD GLU X 4 73.478 -19.348 0.474 1.00 1.00 C ATOM 51 OE1 GLU X 4 74.512 -19.638 1.054 1.00 1.00 O ATOM 52 OE2 GLU X 4 72.902 -20.088 -0.305 1.00 1.00 O ATOM 0 H GLU X 4 73.520 -15.580 -0.151 1.00 1.00 H new ATOM 0 HA GLU X 4 72.140 -15.880 2.274 1.00 1.00 H new ATOM 0 HB2 GLU X 4 74.768 -17.135 1.343 1.00 1.00 H new ATOM 0 HB3 GLU X 4 73.802 -17.737 2.676 1.00 1.00 H new ATOM 0 HG2 GLU X 4 71.862 -18.080 1.146 1.00 1.00 H new ATOM 0 HG3 GLU X 4 72.778 -17.415 -0.192 1.00 1.00 H new ATOM 59 N LEU X 5 73.444 -14.901 4.181 1.00 1.00 N ATOM 60 CA LEU X 5 74.190 -14.194 5.259 1.00 1.00 C ATOM 61 C LEU X 5 74.956 -15.215 6.105 1.00 1.00 C ATOM 62 O LEU X 5 74.388 -15.897 6.936 1.00 1.00 O ATOM 63 CB LEU X 5 73.206 -13.431 6.148 1.00 1.00 C ATOM 64 CG LEU X 5 72.592 -12.276 5.356 1.00 1.00 C ATOM 65 CD1 LEU X 5 71.480 -11.625 6.180 1.00 1.00 C ATOM 66 CD2 LEU X 5 73.674 -11.236 5.051 1.00 1.00 C ATOM 0 H LEU X 5 72.509 -15.219 4.436 1.00 1.00 H new ATOM 0 HA LEU X 5 74.893 -13.492 4.811 1.00 1.00 H new ATOM 0 HB2 LEU X 5 72.422 -14.102 6.500 1.00 1.00 H new ATOM 0 HB3 LEU X 5 73.718 -13.049 7.031 1.00 1.00 H new ATOM 0 HG LEU X 5 72.177 -12.656 4.423 1.00 1.00 H new ATOM 0 HD11 LEU X 5 71.043 -10.802 5.615 1.00 1.00 H new ATOM 0 HD12 LEU X 5 70.709 -12.364 6.399 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.894 -11.244 7.114 1.00 1.00 H new ATOM 0 HD21 LEU X 5 73.238 -10.412 4.486 1.00 1.00 H new ATOM 0 HD22 LEU X 5 74.088 -10.857 5.985 1.00 1.00 H new ATOM 0 HD23 LEU X 5 74.468 -11.698 4.464 1.00 1.00 H new ATOM 78 N SER X 6 76.240 -15.325 5.900 1.00 1.00 N ATOM 79 CA SER X 6 77.043 -16.294 6.699 1.00 1.00 C ATOM 80 C SER X 6 77.417 -15.666 8.043 1.00 1.00 C ATOM 81 O SER X 6 77.134 -14.512 8.300 1.00 1.00 O ATOM 82 CB SER X 6 78.317 -16.653 5.933 1.00 1.00 C ATOM 83 OG SER X 6 79.308 -15.664 6.182 1.00 1.00 O ATOM 0 H SER X 6 76.768 -14.786 5.214 1.00 1.00 H new ATOM 0 HA SER X 6 76.455 -17.195 6.872 1.00 1.00 H new ATOM 0 HB2 SER X 6 78.678 -17.633 6.244 1.00 1.00 H new ATOM 0 HB3 SER X 6 78.108 -16.715 4.865 1.00 1.00 H new ATOM 0 HG SER X 6 80.127 -15.891 5.694 1.00 1.00 H new ATOM 89 N GLN X 7 78.050 -16.415 8.903 1.00 1.00 N ATOM 90 CA GLN X 7 78.434 -15.861 10.231 1.00 1.00 C ATOM 91 C GLN X 7 79.239 -14.575 10.034 1.00 1.00 C ATOM 92 O GLN X 7 79.008 -13.579 10.689 1.00 1.00 O ATOM 93 CB GLN X 7 79.285 -16.884 10.987 1.00 1.00 C ATOM 94 CG GLN X 7 79.635 -16.339 12.373 1.00 1.00 C ATOM 95 CD GLN X 7 80.384 -17.409 13.169 1.00 1.00 C ATOM 96 OE1 GLN X 7 80.344 -18.574 12.831 1.00 1.00 O ATOM 97 NE2 GLN X 7 81.073 -17.058 14.222 1.00 1.00 N ATOM 0 H GLN X 7 78.318 -17.386 8.743 1.00 1.00 H new ATOM 0 HA GLN X 7 77.534 -15.643 10.806 1.00 1.00 H new ATOM 0 HB2 GLN X 7 78.742 -17.824 11.082 1.00 1.00 H new ATOM 0 HB3 GLN X 7 80.196 -17.097 10.428 1.00 1.00 H new ATOM 0 HG2 GLN X 7 80.250 -15.444 12.279 1.00 1.00 H new ATOM 0 HG3 GLN X 7 78.727 -16.048 12.901 1.00 1.00 H new ATOM 0 HE21 GLN X 7 81.107 -16.079 14.506 1.00 1.00 H new ATOM 0 HE22 GLN X 7 81.577 -17.763 14.760 1.00 1.00 H new ATOM 106 N HIS X 8 80.184 -14.589 9.134 1.00 1.00 N ATOM 107 CA HIS X 8 80.997 -13.365 8.887 1.00 1.00 C ATOM 108 C HIS X 8 80.107 -12.269 8.300 1.00 1.00 C ATOM 109 O HIS X 8 80.181 -11.119 8.689 1.00 1.00 O ATOM 110 CB HIS X 8 82.121 -13.690 7.902 1.00 1.00 C ATOM 111 CG HIS X 8 82.947 -12.456 7.657 1.00 1.00 C ATOM 112 ND1 HIS X 8 84.015 -12.107 8.472 1.00 1.00 N ATOM 113 CD2 HIS X 8 82.874 -11.478 6.695 1.00 1.00 C ATOM 114 CE1 HIS X 8 84.538 -10.965 7.989 1.00 1.00 C ATOM 115 NE2 HIS X 8 83.879 -10.542 6.910 1.00 1.00 N ATOM 0 H HIS X 8 80.428 -15.395 8.559 1.00 1.00 H new ATOM 0 HA HIS X 8 81.426 -13.019 9.828 1.00 1.00 H new ATOM 0 HB2 HIS X 8 82.749 -14.487 8.300 1.00 1.00 H new ATOM 0 HB3 HIS X 8 81.703 -14.053 6.963 1.00 1.00 H new ATOM 0 HD2 HIS X 8 82.148 -11.442 5.896 1.00 1.00 H new ATOM 0 HE1 HIS X 8 85.386 -10.455 8.422 1.00 1.00 H new ATOM 0 HE2 HIS X 8 84.072 -9.706 6.358 1.00 1.00 H new ATOM 123 N GLU X 9 79.263 -12.612 7.365 1.00 1.00 N ATOM 124 CA GLU X 9 78.374 -11.587 6.750 1.00 1.00 C ATOM 125 C GLU X 9 77.491 -10.964 7.834 1.00 1.00 C ATOM 126 O GLU X 9 77.240 -9.775 7.838 1.00 1.00 O ATOM 127 CB GLU X 9 77.493 -12.246 5.688 1.00 1.00 C ATOM 128 CG GLU X 9 78.375 -12.820 4.577 1.00 1.00 C ATOM 129 CD GLU X 9 79.023 -11.675 3.798 1.00 1.00 C ATOM 130 OE1 GLU X 9 78.640 -10.539 4.024 1.00 1.00 O ATOM 131 OE2 GLU X 9 79.892 -11.953 2.987 1.00 1.00 O ATOM 0 H GLU X 9 79.151 -13.558 7.001 1.00 1.00 H new ATOM 0 HA GLU X 9 78.981 -10.810 6.285 1.00 1.00 H new ATOM 0 HB2 GLU X 9 76.894 -13.038 6.137 1.00 1.00 H new ATOM 0 HB3 GLU X 9 76.797 -11.516 5.274 1.00 1.00 H new ATOM 0 HG2 GLU X 9 79.144 -13.464 5.004 1.00 1.00 H new ATOM 0 HG3 GLU X 9 77.778 -13.438 3.907 1.00 1.00 H new ATOM 138 N ARG X 10 77.017 -11.760 8.754 1.00 1.00 N ATOM 139 CA ARG X 10 76.153 -11.215 9.840 1.00 1.00 C ATOM 140 C ARG X 10 76.950 -10.211 10.675 1.00 1.00 C ATOM 141 O ARG X 10 76.434 -9.198 11.104 1.00 1.00 O ATOM 142 CB ARG X 10 75.680 -12.362 10.736 1.00 1.00 C ATOM 143 CG ARG X 10 74.674 -13.226 9.973 1.00 1.00 C ATOM 144 CD ARG X 10 74.312 -14.453 10.813 1.00 1.00 C ATOM 145 NE ARG X 10 73.548 -14.023 12.018 1.00 1.00 N ATOM 146 CZ ARG X 10 73.237 -14.893 12.939 1.00 1.00 C ATOM 147 NH1 ARG X 10 73.597 -16.140 12.807 1.00 1.00 N ATOM 148 NH2 ARG X 10 72.567 -14.515 13.994 1.00 1.00 N ATOM 0 H ARG X 10 77.191 -12.764 8.800 1.00 1.00 H new ATOM 0 HA ARG X 10 75.290 -10.715 9.401 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.531 -12.967 11.049 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.221 -11.965 11.641 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.777 -12.648 9.750 1.00 1.00 H new ATOM 0 HG3 ARG X 10 75.097 -13.538 9.018 1.00 1.00 H new ATOM 0 HD2 ARG X 10 73.717 -15.149 10.222 1.00 1.00 H new ATOM 0 HD3 ARG X 10 75.217 -14.982 11.113 1.00 1.00 H new ATOM 0 HE ARG X 10 73.268 -13.048 12.123 1.00 1.00 H new ATOM 0 HH11 ARG X 10 74.122 -16.435 11.984 1.00 1.00 H new ATOM 0 HH12 ARG X 10 73.354 -16.820 13.527 1.00 1.00 H new ATOM 0 HH21 ARG X 10 72.287 -13.540 14.098 1.00 1.00 H new ATOM 0 HH22 ARG X 10 72.324 -15.195 14.714 1.00 1.00 H new ATOM 162 N TYR X 11 78.204 -10.484 10.911 1.00 1.00 N ATOM 163 CA TYR X 11 79.034 -9.536 11.704 1.00 1.00 C ATOM 164 C TYR X 11 79.113 -8.194 10.973 1.00 1.00 C ATOM 165 O TYR X 11 79.130 -7.143 11.585 1.00 1.00 O ATOM 166 CB TYR X 11 80.444 -10.107 11.873 1.00 1.00 C ATOM 167 CG TYR X 11 81.270 -9.167 12.718 1.00 1.00 C ATOM 168 CD1 TYR X 11 81.112 -9.152 14.108 1.00 1.00 C ATOM 169 CD2 TYR X 11 82.195 -8.309 12.108 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.879 -8.280 14.891 1.00 1.00 C ATOM 171 CE2 TYR X 11 82.962 -7.438 12.892 1.00 1.00 C ATOM 172 CZ TYR X 11 82.804 -7.423 14.283 1.00 1.00 C ATOM 173 OH TYR X 11 83.559 -6.564 15.055 1.00 1.00 O ATOM 0 H TYR X 11 78.689 -11.322 10.589 1.00 1.00 H new ATOM 0 HA TYR X 11 78.581 -9.391 12.685 1.00 1.00 H new ATOM 0 HB2 TYR X 11 80.396 -11.089 12.343 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.912 -10.243 10.898 1.00 1.00 H new ATOM 0 HD1 TYR X 11 80.398 -9.813 14.577 1.00 1.00 H new ATOM 0 HD2 TYR X 11 82.316 -8.319 11.035 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.757 -8.269 15.964 1.00 1.00 H new ATOM 0 HE2 TYR X 11 83.676 -6.777 12.423 1.00 1.00 H new ATOM 0 HH TYR X 11 84.152 -6.040 14.477 1.00 1.00 H new ATOM 183 N VAL X 12 79.161 -8.218 9.670 1.00 1.00 N ATOM 184 CA VAL X 12 79.241 -6.941 8.905 1.00 1.00 C ATOM 185 C VAL X 12 77.989 -6.109 9.178 1.00 1.00 C ATOM 186 O VAL X 12 78.059 -4.915 9.393 1.00 1.00 O ATOM 187 CB VAL X 12 79.330 -7.246 7.409 1.00 1.00 C ATOM 188 CG1 VAL X 12 79.473 -5.937 6.631 1.00 1.00 C ATOM 189 CG2 VAL X 12 80.549 -8.133 7.143 1.00 1.00 C ATOM 0 H VAL X 12 79.148 -9.065 9.102 1.00 1.00 H new ATOM 0 HA VAL X 12 80.126 -6.386 9.216 1.00 1.00 H new ATOM 0 HB VAL X 12 78.426 -7.763 7.088 1.00 1.00 H new ATOM 0 HG11 VAL X 12 79.537 -6.153 5.564 1.00 1.00 H new ATOM 0 HG12 VAL X 12 78.607 -5.304 6.822 1.00 1.00 H new ATOM 0 HG13 VAL X 12 80.378 -5.420 6.951 1.00 1.00 H new ATOM 0 HG21 VAL X 12 80.614 -8.352 6.077 1.00 1.00 H new ATOM 0 HG22 VAL X 12 81.453 -7.615 7.463 1.00 1.00 H new ATOM 0 HG23 VAL X 12 80.449 -9.065 7.699 1.00 1.00 H new ATOM 199 N GLU X 13 76.842 -6.730 9.173 1.00 1.00 N ATOM 200 CA GLU X 13 75.586 -5.975 9.436 1.00 1.00 C ATOM 201 C GLU X 13 75.664 -5.330 10.821 1.00 1.00 C ATOM 202 O GLU X 13 75.320 -4.178 10.999 1.00 1.00 O ATOM 203 CB GLU X 13 74.393 -6.931 9.383 1.00 1.00 C ATOM 204 CG GLU X 13 73.099 -6.145 9.606 1.00 1.00 C ATOM 205 CD GLU X 13 71.900 -7.089 9.488 1.00 1.00 C ATOM 206 OE1 GLU X 13 72.114 -8.290 9.494 1.00 1.00 O ATOM 207 OE2 GLU X 13 70.789 -6.594 9.395 1.00 1.00 O ATOM 0 H GLU X 13 76.721 -7.728 8.998 1.00 1.00 H new ATOM 0 HA GLU X 13 75.461 -5.200 8.679 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.362 -7.437 8.418 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.498 -7.703 10.145 1.00 1.00 H new ATOM 0 HG2 GLU X 13 73.111 -5.677 10.590 1.00 1.00 H new ATOM 0 HG3 GLU X 13 73.017 -5.343 8.872 1.00 1.00 H new ATOM 214 N GLN X 14 76.113 -6.061 11.805 1.00 1.00 N ATOM 215 CA GLN X 14 76.218 -5.477 13.170 1.00 1.00 C ATOM 216 C GLN X 14 77.302 -4.401 13.166 1.00 1.00 C ATOM 217 O GLN X 14 77.180 -3.380 13.813 1.00 1.00 O ATOM 218 CB GLN X 14 76.592 -6.575 14.169 1.00 1.00 C ATOM 219 CG GLN X 14 76.523 -6.017 15.591 1.00 1.00 C ATOM 220 CD GLN X 14 76.717 -7.154 16.597 1.00 1.00 C ATOM 221 OE1 GLN X 14 76.589 -8.313 16.254 1.00 1.00 O ATOM 222 NE2 GLN X 14 77.023 -6.870 17.834 1.00 1.00 N ATOM 0 H GLN X 14 76.410 -7.033 11.722 1.00 1.00 H new ATOM 0 HA GLN X 14 75.263 -5.039 13.459 1.00 1.00 H new ATOM 0 HB2 GLN X 14 75.913 -7.422 14.066 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.596 -6.944 13.960 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.292 -5.257 15.732 1.00 1.00 H new ATOM 0 HG3 GLN X 14 75.561 -5.532 15.756 1.00 1.00 H new ATOM 0 HE21 GLN X 14 77.131 -5.898 18.122 1.00 1.00 H new ATOM 0 HE22 GLN X 14 77.155 -7.621 18.512 1.00 1.00 H new ATOM 231 N LEU X 15 78.369 -4.626 12.451 1.00 1.00 N ATOM 232 CA LEU X 15 79.462 -3.617 12.414 1.00 1.00 C ATOM 233 C LEU X 15 78.912 -2.318 11.823 1.00 1.00 C ATOM 234 O LEU X 15 79.224 -1.234 12.277 1.00 1.00 O ATOM 235 CB LEU X 15 80.606 -4.133 11.540 1.00 1.00 C ATOM 236 CG LEU X 15 81.678 -3.050 11.413 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.178 -2.662 12.806 1.00 1.00 C ATOM 238 CD2 LEU X 15 82.847 -3.586 10.584 1.00 1.00 C ATOM 0 H LEU X 15 78.531 -5.464 11.892 1.00 1.00 H new ATOM 0 HA LEU X 15 79.836 -3.437 13.422 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.035 -5.034 11.978 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.230 -4.405 10.554 1.00 1.00 H new ATOM 0 HG LEU X 15 81.254 -2.174 10.922 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.942 -1.890 12.716 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.346 -2.282 13.398 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.603 -3.538 13.297 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.612 -2.815 10.493 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.271 -4.461 11.076 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.492 -3.864 9.592 1.00 1.00 H new ATOM 250 N LYS X 16 78.093 -2.421 10.811 1.00 1.00 N ATOM 251 CA LYS X 16 77.517 -1.199 10.184 1.00 1.00 C ATOM 252 C LYS X 16 76.661 -0.455 11.209 1.00 1.00 C ATOM 253 O LYS X 16 76.689 0.757 11.292 1.00 1.00 O ATOM 254 CB LYS X 16 76.649 -1.599 8.989 1.00 1.00 C ATOM 255 CG LYS X 16 76.127 -0.340 8.293 1.00 1.00 C ATOM 256 CD LYS X 16 75.371 -0.735 7.024 1.00 1.00 C ATOM 257 CE LYS X 16 74.810 0.518 6.352 1.00 1.00 C ATOM 258 NZ LYS X 16 74.079 0.133 5.113 1.00 1.00 N ATOM 0 H LYS X 16 77.798 -3.302 10.391 1.00 1.00 H new ATOM 0 HA LYS X 16 78.325 -0.550 9.845 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.230 -2.200 8.289 1.00 1.00 H new ATOM 0 HB3 LYS X 16 75.814 -2.216 9.322 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.469 0.213 8.964 1.00 1.00 H new ATOM 0 HG3 LYS X 16 76.957 0.321 8.044 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.038 -1.260 6.340 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.561 -1.422 7.270 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.140 1.040 7.035 1.00 1.00 H new ATOM 0 HE3 LYS X 16 75.619 1.207 6.110 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 73.964 0.968 4.504 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 74.619 -0.595 4.603 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 73.143 -0.244 5.365 1.00 1.00 H new ATOM 272 N GLN X 17 75.899 -1.169 11.991 1.00 1.00 N ATOM 273 CA GLN X 17 75.044 -0.496 13.007 1.00 1.00 C ATOM 274 C GLN X 17 75.929 0.343 13.931 1.00 1.00 C ATOM 275 O GLN X 17 75.620 1.474 14.245 1.00 1.00 O ATOM 276 CB GLN X 17 74.300 -1.549 13.830 1.00 1.00 C ATOM 277 CG GLN X 17 73.283 -2.267 12.941 1.00 1.00 C ATOM 278 CD GLN X 17 72.555 -3.337 13.758 1.00 1.00 C ATOM 279 OE1 GLN X 17 72.706 -3.407 14.962 1.00 1.00 O ATOM 280 NE2 GLN X 17 71.765 -4.179 13.150 1.00 1.00 N ATOM 0 H GLN X 17 75.832 -2.187 11.970 1.00 1.00 H new ATOM 0 HA GLN X 17 74.320 0.148 12.508 1.00 1.00 H new ATOM 0 HB2 GLN X 17 75.007 -2.267 14.245 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.794 -1.077 14.672 1.00 1.00 H new ATOM 0 HG2 GLN X 17 72.566 -1.551 12.539 1.00 1.00 H new ATOM 0 HG3 GLN X 17 73.787 -2.725 12.090 1.00 1.00 H new ATOM 0 HE21 GLN X 17 71.638 -4.121 12.140 1.00 1.00 H new ATOM 0 HE22 GLN X 17 71.274 -4.896 13.685 1.00 1.00 H new ATOM 289 N ALA X 18 77.030 -0.208 14.366 1.00 1.00 N ATOM 290 CA ALA X 18 77.945 0.559 15.255 1.00 1.00 C ATOM 291 C ALA X 18 78.469 1.786 14.508 1.00 1.00 C ATOM 292 O ALA X 18 78.572 2.864 15.059 1.00 1.00 O ATOM 293 CB ALA X 18 79.122 -0.329 15.666 1.00 1.00 C ATOM 0 H ALA X 18 77.334 -1.156 14.144 1.00 1.00 H new ATOM 0 HA ALA X 18 77.403 0.878 16.145 1.00 1.00 H new ATOM 0 HB1 ALA X 18 79.792 0.233 16.317 1.00 1.00 H new ATOM 0 HB2 ALA X 18 78.749 -1.204 16.198 1.00 1.00 H new ATOM 0 HB3 ALA X 18 79.665 -0.649 14.776 1.00 1.00 H new ATOM 299 N LEU X 19 78.801 1.632 13.256 1.00 1.00 N ATOM 300 CA LEU X 19 79.312 2.793 12.475 1.00 1.00 C ATOM 301 C LEU X 19 78.213 3.851 12.367 1.00 1.00 C ATOM 302 O LEU X 19 78.471 5.037 12.432 1.00 1.00 O ATOM 303 CB LEU X 19 79.716 2.330 11.074 1.00 1.00 C ATOM 304 CG LEU X 19 80.923 1.394 11.172 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.247 0.829 9.787 1.00 1.00 C ATOM 306 CD2 LEU X 19 82.130 2.174 11.697 1.00 1.00 C ATOM 0 H LEU X 19 78.741 0.754 12.741 1.00 1.00 H new ATOM 0 HA LEU X 19 80.181 3.218 12.978 1.00 1.00 H new ATOM 0 HB2 LEU X 19 78.882 1.816 10.595 1.00 1.00 H new ATOM 0 HB3 LEU X 19 79.960 3.191 10.452 1.00 1.00 H new ATOM 0 HG LEU X 19 80.692 0.575 11.853 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.107 0.163 9.858 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.388 0.274 9.410 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.478 1.647 9.105 1.00 1.00 H new ATOM 0 HD21 LEU X 19 82.991 1.509 11.767 1.00 1.00 H new ATOM 0 HD22 LEU X 19 82.359 2.993 11.015 1.00 1.00 H new ATOM 0 HD23 LEU X 19 81.902 2.577 12.684 1.00 1.00 H new ATOM 318 N LYS X 20 76.988 3.432 12.206 1.00 1.00 N ATOM 319 CA LYS X 20 75.873 4.413 12.098 1.00 1.00 C ATOM 320 C LYS X 20 75.837 5.276 13.361 1.00 1.00 C ATOM 321 O LYS X 20 75.670 6.477 13.300 1.00 1.00 O ATOM 322 CB LYS X 20 74.547 3.664 11.953 1.00 1.00 C ATOM 323 CG LYS X 20 73.422 4.664 11.682 1.00 1.00 C ATOM 324 CD LYS X 20 72.109 3.911 11.458 1.00 1.00 C ATOM 325 CE LYS X 20 70.981 4.913 11.204 1.00 1.00 C ATOM 326 NZ LYS X 20 71.275 5.688 9.966 1.00 1.00 N ATOM 0 H LYS X 20 76.711 2.452 12.145 1.00 1.00 H new ATOM 0 HA LYS X 20 76.027 5.048 11.225 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.612 2.944 11.138 1.00 1.00 H new ATOM 0 HB3 LYS X 20 74.335 3.099 12.861 1.00 1.00 H new ATOM 0 HG2 LYS X 20 73.321 5.350 12.523 1.00 1.00 H new ATOM 0 HG3 LYS X 20 73.661 5.267 10.806 1.00 1.00 H new ATOM 0 HD2 LYS X 20 72.206 3.234 10.609 1.00 1.00 H new ATOM 0 HD3 LYS X 20 71.876 3.298 12.329 1.00 1.00 H new ATOM 0 HE2 LYS X 20 70.031 4.389 11.101 1.00 1.00 H new ATOM 0 HE3 LYS X 20 70.882 5.588 12.054 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 70.393 6.096 9.594 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 71.944 6.453 10.186 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 71.693 5.057 9.252 1.00 1.00 H new ATOM 340 N THR X 21 75.997 4.670 14.505 1.00 1.00 N ATOM 341 CA THR X 21 75.975 5.453 15.771 1.00 1.00 C ATOM 342 C THR X 21 77.142 6.441 15.777 1.00 1.00 C ATOM 343 O THR X 21 77.057 7.514 16.340 1.00 1.00 O ATOM 344 CB THR X 21 76.105 4.501 16.962 1.00 1.00 C ATOM 345 OG1 THR X 21 77.328 3.783 16.857 1.00 1.00 O ATOM 346 CG2 THR X 21 74.933 3.519 16.964 1.00 1.00 C ATOM 0 H THR X 21 76.142 3.667 14.617 1.00 1.00 H new ATOM 0 HA THR X 21 75.035 6.000 15.845 1.00 1.00 H new ATOM 0 HB THR X 21 76.096 5.073 17.890 1.00 1.00 H new ATOM 0 HG1 THR X 21 77.505 3.575 15.916 1.00 1.00 H new ATOM 0 HG21 THR X 21 75.027 2.842 17.813 1.00 1.00 H new ATOM 0 HG22 THR X 21 73.996 4.071 17.042 1.00 1.00 H new ATOM 0 HG23 THR X 21 74.939 2.943 16.038 1.00 1.00 H new ATOM 354 N ARG X 22 78.231 6.089 15.150 1.00 1.00 N ATOM 355 CA ARG X 22 79.401 7.011 15.118 1.00 1.00 C ATOM 356 C ARG X 22 79.105 8.165 14.160 1.00 1.00 C ATOM 357 O ARG X 22 79.775 9.179 14.171 1.00 1.00 O ATOM 358 CB ARG X 22 80.636 6.250 14.632 1.00 1.00 C ATOM 359 CG ARG X 22 81.056 5.230 15.693 1.00 1.00 C ATOM 360 CD ARG X 22 82.242 4.415 15.176 1.00 1.00 C ATOM 361 NE ARG X 22 82.669 3.440 16.221 1.00 1.00 N ATOM 362 CZ ARG X 22 83.818 2.828 16.115 1.00 1.00 C ATOM 363 NH1 ARG X 22 84.594 3.067 15.092 1.00 1.00 N ATOM 364 NH2 ARG X 22 84.191 1.979 17.031 1.00 1.00 N ATOM 0 H ARG X 22 78.361 5.204 14.659 1.00 1.00 H new ATOM 0 HA ARG X 22 79.587 7.403 16.118 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.418 5.744 13.692 1.00 1.00 H new ATOM 0 HB3 ARG X 22 81.452 6.946 14.438 1.00 1.00 H new ATOM 0 HG2 ARG X 22 81.327 5.741 16.617 1.00 1.00 H new ATOM 0 HG3 ARG X 22 80.222 4.569 15.928 1.00 1.00 H new ATOM 0 HD2 ARG X 22 81.964 3.888 14.263 1.00 1.00 H new ATOM 0 HD3 ARG X 22 83.069 5.078 14.922 1.00 1.00 H new ATOM 0 HE ARG X 22 82.063 3.251 17.019 1.00 1.00 H new ATOM 0 HH11 ARG X 22 84.303 3.732 14.375 1.00 1.00 H new ATOM 0 HH12 ARG X 22 85.491 2.589 15.010 1.00 1.00 H new ATOM 0 HH21 ARG X 22 83.586 1.793 17.830 1.00 1.00 H new ATOM 0 HH22 ARG X 22 85.088 1.501 16.948 1.00 1.00 H new ATOM 378 N GLY X 23 78.113 8.019 13.328 1.00 1.00 N ATOM 379 CA GLY X 23 77.782 9.109 12.368 1.00 1.00 C ATOM 380 C GLY X 23 78.136 8.659 10.950 1.00 1.00 C ATOM 381 O GLY X 23 78.760 9.380 10.196 1.00 1.00 O ATOM 0 H GLY X 23 77.517 7.193 13.271 1.00 1.00 H new ATOM 0 HA2 GLY X 23 76.722 9.354 12.430 1.00 1.00 H new ATOM 0 HA3 GLY X 23 78.334 10.014 12.623 1.00 1.00 H new ATOM 385 N VAL X 24 77.743 7.470 10.581 1.00 1.00 N ATOM 386 CA VAL X 24 78.053 6.973 9.211 1.00 1.00 C ATOM 387 C VAL X 24 76.750 6.614 8.494 1.00 1.00 C ATOM 388 O VAL X 24 75.882 5.972 9.049 1.00 1.00 O ATOM 389 CB VAL X 24 78.940 5.731 9.308 1.00 1.00 C ATOM 390 CG1 VAL X 24 79.059 5.080 7.929 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.331 6.138 9.800 1.00 1.00 C ATOM 0 H VAL X 24 77.220 6.821 11.170 1.00 1.00 H new ATOM 0 HA VAL X 24 78.575 7.749 8.651 1.00 1.00 H new ATOM 0 HB VAL X 24 78.498 5.022 10.008 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.691 4.195 7.998 1.00 1.00 H new ATOM 0 HG12 VAL X 24 78.069 4.792 7.576 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.502 5.789 7.229 1.00 1.00 H new ATOM 0 HG21 VAL X 24 80.965 5.254 9.870 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.772 6.847 9.099 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.248 6.604 10.782 1.00 1.00 H new ATOM 401 N LYS X 25 76.604 7.027 7.264 1.00 1.00 N ATOM 402 CA LYS X 25 75.351 6.716 6.523 1.00 1.00 C ATOM 403 C LYS X 25 75.706 6.207 5.126 1.00 1.00 C ATOM 404 O LYS X 25 75.880 6.974 4.200 1.00 1.00 O ATOM 405 CB LYS X 25 74.503 7.985 6.404 1.00 1.00 C ATOM 406 CG LYS X 25 73.979 8.380 7.787 1.00 1.00 C ATOM 407 CD LYS X 25 73.156 9.665 7.673 1.00 1.00 C ATOM 408 CE LYS X 25 72.589 10.031 9.045 1.00 1.00 C ATOM 409 NZ LYS X 25 73.707 10.374 9.970 1.00 1.00 N ATOM 0 H LYS X 25 77.297 7.565 6.743 1.00 1.00 H new ATOM 0 HA LYS X 25 74.787 5.952 7.058 1.00 1.00 H new ATOM 0 HB2 LYS X 25 75.099 8.795 5.984 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.670 7.816 5.722 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.366 7.578 8.198 1.00 1.00 H new ATOM 0 HG3 LYS X 25 74.812 8.529 8.474 1.00 1.00 H new ATOM 0 HD2 LYS X 25 73.779 10.476 7.297 1.00 1.00 H new ATOM 0 HD3 LYS X 25 72.345 9.528 6.957 1.00 1.00 H new ATOM 0 HE2 LYS X 25 71.906 10.875 8.954 1.00 1.00 H new ATOM 0 HE3 LYS X 25 72.013 9.197 9.447 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 73.334 10.905 10.783 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 74.161 9.500 10.305 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 74.407 10.957 9.468 1.00 1.00 H new ATOM 423 N VAL X 26 75.818 4.915 4.967 1.00 1.00 N ATOM 424 CA VAL X 26 76.153 4.355 3.628 1.00 1.00 C ATOM 425 C VAL X 26 75.222 3.181 3.324 1.00 1.00 C ATOM 426 O VAL X 26 74.617 2.608 4.208 1.00 1.00 O ATOM 427 CB VAL X 26 77.605 3.873 3.626 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.538 5.059 3.877 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.795 2.831 4.730 1.00 1.00 C ATOM 0 H VAL X 26 75.692 4.224 5.707 1.00 1.00 H new ATOM 0 HA VAL X 26 76.027 5.125 2.867 1.00 1.00 H new ATOM 0 HB VAL X 26 77.839 3.427 2.659 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.572 4.715 3.875 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.402 5.802 3.091 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.306 5.506 4.843 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.829 2.486 4.731 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.561 3.278 5.696 1.00 1.00 H new ATOM 0 HG23 VAL X 26 77.131 1.986 4.551 1.00 1.00 H new ATOM 439 N LYS X 27 75.103 2.816 2.076 1.00 1.00 N ATOM 440 CA LYS X 27 74.208 1.683 1.712 1.00 1.00 C ATOM 441 C LYS X 27 74.860 0.364 2.128 1.00 1.00 C ATOM 442 O LYS X 27 76.061 0.201 2.042 1.00 1.00 O ATOM 443 CB LYS X 27 73.974 1.682 0.199 1.00 1.00 C ATOM 444 CG LYS X 27 73.266 2.976 -0.211 1.00 1.00 C ATOM 445 CD LYS X 27 73.086 3.002 -1.730 1.00 1.00 C ATOM 446 CE LYS X 27 72.424 4.318 -2.143 1.00 1.00 C ATOM 447 NZ LYS X 27 72.200 4.320 -3.616 1.00 1.00 N ATOM 0 H LYS X 27 75.588 3.255 1.293 1.00 1.00 H new ATOM 0 HA LYS X 27 73.254 1.795 2.227 1.00 1.00 H new ATOM 0 HB2 LYS X 27 74.925 1.593 -0.326 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.371 0.820 -0.086 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.296 3.044 0.282 1.00 1.00 H new ATOM 0 HG3 LYS X 27 73.848 3.839 0.111 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.052 2.898 -2.223 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.473 2.159 -2.049 1.00 1.00 H new ATOM 0 HE2 LYS X 27 71.476 4.440 -1.620 1.00 1.00 H new ATOM 0 HE3 LYS X 27 73.055 5.160 -1.859 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 71.959 5.282 -3.929 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 73.065 4.005 -4.099 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 71.419 3.674 -3.849 1.00 1.00 H new ATOM 461 N TYR X 28 74.079 -0.579 2.578 1.00 1.00 N ATOM 462 CA TYR X 28 74.659 -1.884 3.001 1.00 1.00 C ATOM 463 C TYR X 28 75.340 -2.547 1.802 1.00 1.00 C ATOM 464 O TYR X 28 76.384 -3.156 1.926 1.00 1.00 O ATOM 465 CB TYR X 28 73.545 -2.793 3.526 1.00 1.00 C ATOM 466 CG TYR X 28 74.124 -4.135 3.905 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.885 -4.266 5.072 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.899 -5.250 3.088 1.00 1.00 C ATOM 469 CE1 TYR X 28 75.421 -5.510 5.423 1.00 1.00 C ATOM 470 CE2 TYR X 28 74.434 -6.495 3.439 1.00 1.00 C ATOM 471 CZ TYR X 28 75.195 -6.625 4.607 1.00 1.00 C ATOM 472 OH TYR X 28 75.724 -7.852 4.953 1.00 1.00 O ATOM 0 H TYR X 28 73.066 -0.502 2.671 1.00 1.00 H new ATOM 0 HA TYR X 28 75.392 -1.719 3.791 1.00 1.00 H new ATOM 0 HB2 TYR X 28 73.065 -2.335 4.391 1.00 1.00 H new ATOM 0 HB3 TYR X 28 72.775 -2.919 2.764 1.00 1.00 H new ATOM 0 HD1 TYR X 28 75.059 -3.406 5.702 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.312 -5.149 2.187 1.00 1.00 H new ATOM 0 HE1 TYR X 28 76.009 -5.610 6.323 1.00 1.00 H new ATOM 0 HE2 TYR X 28 74.260 -7.355 2.809 1.00 1.00 H new ATOM 0 HH TYR X 28 75.472 -8.518 4.280 1.00 1.00 H new ATOM 482 N ALA X 29 74.755 -2.432 0.640 1.00 1.00 N ATOM 483 CA ALA X 29 75.366 -3.053 -0.567 1.00 1.00 C ATOM 484 C ALA X 29 76.794 -2.535 -0.739 1.00 1.00 C ATOM 485 O ALA X 29 77.671 -3.241 -1.196 1.00 1.00 O ATOM 486 CB ALA X 29 74.540 -2.689 -1.802 1.00 1.00 C ATOM 0 H ALA X 29 73.880 -1.934 0.476 1.00 1.00 H new ATOM 0 HA ALA X 29 75.384 -4.136 -0.448 1.00 1.00 H new ATOM 0 HB1 ALA X 29 74.987 -3.144 -2.686 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.522 -3.058 -1.680 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.522 -1.606 -1.921 1.00 1.00 H new ATOM 492 N ASP X 30 77.036 -1.304 -0.379 1.00 1.00 N ATOM 493 CA ASP X 30 78.408 -0.742 -0.523 1.00 1.00 C ATOM 494 C ASP X 30 79.381 -1.548 0.339 1.00 1.00 C ATOM 495 O ASP X 30 80.507 -1.795 -0.046 1.00 1.00 O ATOM 496 CB ASP X 30 78.413 0.719 -0.066 1.00 1.00 C ATOM 497 CG ASP X 30 77.589 1.561 -1.041 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.303 1.072 -2.121 1.00 1.00 O ATOM 499 OD2 ASP X 30 77.258 2.682 -0.692 1.00 1.00 O ATOM 0 H ASP X 30 76.343 -0.664 0.008 1.00 1.00 H new ATOM 0 HA ASP X 30 78.715 -0.797 -1.568 1.00 1.00 H new ATOM 0 HB2 ASP X 30 77.999 0.798 0.939 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.436 1.093 -0.020 1.00 1.00 H new ATOM 504 N LEU X 31 78.956 -1.963 1.500 1.00 1.00 N ATOM 505 CA LEU X 31 79.851 -2.770 2.375 1.00 1.00 C ATOM 506 C LEU X 31 80.219 -4.072 1.662 1.00 1.00 C ATOM 507 O LEU X 31 81.361 -4.486 1.655 1.00 1.00 O ATOM 508 CB LEU X 31 79.129 -3.092 3.685 1.00 1.00 C ATOM 509 CG LEU X 31 79.282 -1.919 4.654 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.740 -1.814 5.105 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.872 -0.622 3.952 1.00 1.00 C ATOM 0 H LEU X 31 78.028 -1.778 1.880 1.00 1.00 H new ATOM 0 HA LEU X 31 80.757 -2.204 2.590 1.00 1.00 H new ATOM 0 HB2 LEU X 31 78.073 -3.283 3.493 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.542 -3.999 4.127 1.00 1.00 H new ATOM 0 HG LEU X 31 78.644 -2.081 5.523 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.848 -0.978 5.796 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.034 -2.737 5.604 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.379 -1.652 4.237 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.981 0.215 4.642 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.510 -0.461 3.083 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.833 -0.695 3.631 1.00 1.00 H new ATOM 523 N LEU X 32 79.260 -4.721 1.061 1.00 1.00 N ATOM 524 CA LEU X 32 79.555 -5.996 0.349 1.00 1.00 C ATOM 525 C LEU X 32 80.512 -5.718 -0.812 1.00 1.00 C ATOM 526 O LEU X 32 81.460 -6.446 -1.034 1.00 1.00 O ATOM 527 CB LEU X 32 78.252 -6.589 -0.194 1.00 1.00 C ATOM 528 CG LEU X 32 77.336 -6.963 0.972 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.988 -7.441 0.430 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.984 -8.086 1.787 1.00 1.00 C ATOM 0 H LEU X 32 78.285 -4.423 1.032 1.00 1.00 H new ATOM 0 HA LEU X 32 80.015 -6.703 1.040 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.755 -5.868 -0.844 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.466 -7.470 -0.799 1.00 1.00 H new ATOM 0 HG LEU X 32 77.183 -6.091 1.608 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.335 -7.708 1.261 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.527 -6.644 -0.152 1.00 1.00 H new ATOM 0 HD13 LEU X 32 76.140 -8.313 -0.206 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.333 -8.354 2.619 1.00 1.00 H new ATOM 0 HD22 LEU X 32 78.136 -8.957 1.150 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.945 -7.747 2.173 1.00 1.00 H new ATOM 542 N LYS X 33 80.275 -4.672 -1.554 1.00 1.00 N ATOM 543 CA LYS X 33 81.181 -4.346 -2.691 1.00 1.00 C ATOM 544 C LYS X 33 82.587 -4.062 -2.155 1.00 1.00 C ATOM 545 O LYS X 33 83.576 -4.420 -2.762 1.00 1.00 O ATOM 546 CB LYS X 33 80.654 -3.110 -3.426 1.00 1.00 C ATOM 547 CG LYS X 33 79.325 -3.447 -4.105 1.00 1.00 C ATOM 548 CD LYS X 33 78.759 -2.192 -4.772 1.00 1.00 C ATOM 549 CE LYS X 33 77.438 -2.532 -5.464 1.00 1.00 C ATOM 550 NZ LYS X 33 76.898 -1.313 -6.131 1.00 1.00 N ATOM 0 H LYS X 33 79.494 -4.029 -1.422 1.00 1.00 H new ATOM 0 HA LYS X 33 81.218 -5.189 -3.381 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.517 -2.287 -2.724 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.380 -2.778 -4.168 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.473 -4.231 -4.848 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.617 -3.832 -3.371 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.601 -1.412 -4.028 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.472 -1.801 -5.498 1.00 1.00 H new ATOM 0 HE2 LYS X 33 77.593 -3.323 -6.198 1.00 1.00 H new ATOM 0 HE3 LYS X 33 76.720 -2.909 -4.736 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.333 -1.592 -6.959 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 76.298 -0.789 -5.463 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 77.686 -0.707 -6.437 1.00 1.00 H new ATOM 564 N PHE X 34 82.682 -3.422 -1.022 1.00 1.00 N ATOM 565 CA PHE X 34 84.023 -3.119 -0.447 1.00 1.00 C ATOM 566 C PHE X 34 84.817 -4.418 -0.299 1.00 1.00 C ATOM 567 O PHE X 34 85.964 -4.503 -0.691 1.00 1.00 O ATOM 568 CB PHE X 34 83.855 -2.466 0.926 1.00 1.00 C ATOM 569 CG PHE X 34 85.207 -2.315 1.581 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.176 -1.488 1.003 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.491 -3.002 2.768 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.430 -1.347 1.610 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.744 -2.862 3.376 1.00 1.00 C ATOM 574 CZ PHE X 34 87.713 -2.034 2.796 1.00 1.00 C ATOM 0 H PHE X 34 81.889 -3.096 -0.470 1.00 1.00 H new ATOM 0 HA PHE X 34 84.557 -2.438 -1.109 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.379 -1.491 0.821 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.202 -3.074 1.552 1.00 1.00 H new ATOM 0 HD1 PHE X 34 85.957 -0.958 0.088 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.743 -3.640 3.214 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.178 -0.709 1.163 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.963 -3.392 4.291 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.680 -1.925 3.265 1.00 1.00 H new ATOM 584 N PHE X 35 84.218 -5.431 0.264 1.00 1.00 N ATOM 585 CA PHE X 35 84.944 -6.720 0.441 1.00 1.00 C ATOM 586 C PHE X 35 85.350 -7.266 -0.928 1.00 1.00 C ATOM 587 O PHE X 35 86.443 -7.768 -1.107 1.00 1.00 O ATOM 588 CB PHE X 35 84.028 -7.729 1.138 1.00 1.00 C ATOM 589 CG PHE X 35 83.991 -7.435 2.618 1.00 1.00 C ATOM 590 CD1 PHE X 35 85.074 -7.791 3.430 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.872 -6.805 3.179 1.00 1.00 C ATOM 592 CE1 PHE X 35 85.039 -7.518 4.803 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.838 -6.532 4.553 1.00 1.00 C ATOM 594 CZ PHE X 35 83.922 -6.889 5.364 1.00 1.00 C ATOM 0 H PHE X 35 83.258 -5.422 0.609 1.00 1.00 H new ATOM 0 HA PHE X 35 85.834 -6.556 1.048 1.00 1.00 H new ATOM 0 HB2 PHE X 35 83.023 -7.673 0.720 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.389 -8.743 0.967 1.00 1.00 H new ATOM 0 HD1 PHE X 35 85.937 -8.276 2.998 1.00 1.00 H new ATOM 0 HD2 PHE X 35 82.036 -6.530 2.553 1.00 1.00 H new ATOM 0 HE1 PHE X 35 85.875 -7.793 5.429 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.976 -6.046 4.986 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.896 -6.679 6.423 1.00 1.00 H new ATOM 604 N ASP X 36 84.480 -7.178 -1.895 1.00 1.00 N ATOM 605 CA ASP X 36 84.815 -7.703 -3.248 1.00 1.00 C ATOM 606 C ASP X 36 85.964 -6.881 -3.837 1.00 1.00 C ATOM 607 O ASP X 36 86.862 -7.410 -4.463 1.00 1.00 O ATOM 608 CB ASP X 36 83.590 -7.596 -4.159 1.00 1.00 C ATOM 609 CG ASP X 36 82.698 -8.822 -3.962 1.00 1.00 C ATOM 610 OD1 ASP X 36 83.153 -9.769 -3.342 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.573 -8.794 -4.433 1.00 1.00 O ATOM 0 H ASP X 36 83.551 -6.765 -1.807 1.00 1.00 H new ATOM 0 HA ASP X 36 85.114 -8.748 -3.170 1.00 1.00 H new ATOM 0 HB2 ASP X 36 83.033 -6.687 -3.931 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.903 -7.525 -5.201 1.00 1.00 H new ATOM 616 N PHE X 37 85.940 -5.591 -3.643 1.00 1.00 N ATOM 617 CA PHE X 37 87.038 -4.736 -4.175 1.00 1.00 C ATOM 618 C PHE X 37 88.364 -5.146 -3.529 1.00 1.00 C ATOM 619 O PHE X 37 89.382 -5.241 -4.186 1.00 1.00 O ATOM 620 CB PHE X 37 86.746 -3.269 -3.850 1.00 1.00 C ATOM 621 CG PHE X 37 87.804 -2.392 -4.477 1.00 1.00 C ATOM 622 CD1 PHE X 37 87.745 -2.096 -5.844 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.841 -1.876 -3.693 1.00 1.00 C ATOM 624 CE1 PHE X 37 88.726 -1.283 -6.427 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.822 -1.064 -4.275 1.00 1.00 C ATOM 626 CZ PHE X 37 89.764 -0.768 -5.641 1.00 1.00 C ATOM 0 H PHE X 37 85.207 -5.092 -3.139 1.00 1.00 H new ATOM 0 HA PHE X 37 87.105 -4.863 -5.255 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.761 -2.992 -4.225 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.730 -3.121 -2.770 1.00 1.00 H new ATOM 0 HD1 PHE X 37 86.944 -2.494 -6.449 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.885 -2.104 -2.638 1.00 1.00 H new ATOM 0 HE1 PHE X 37 88.682 -1.054 -7.481 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.623 -0.666 -3.670 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.521 -0.142 -6.090 1.00 1.00 H new ATOM 636 N VAL X 38 88.360 -5.389 -2.248 1.00 1.00 N ATOM 637 CA VAL X 38 89.622 -5.784 -1.561 1.00 1.00 C ATOM 638 C VAL X 38 90.141 -7.094 -2.156 1.00 1.00 C ATOM 639 O VAL X 38 91.311 -7.230 -2.455 1.00 1.00 O ATOM 640 CB VAL X 38 89.350 -5.975 -0.067 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.591 -6.566 0.605 1.00 1.00 C ATOM 642 CG2 VAL X 38 89.023 -4.621 0.568 1.00 1.00 C ATOM 0 H VAL X 38 87.538 -5.331 -1.647 1.00 1.00 H new ATOM 0 HA VAL X 38 90.370 -5.003 -1.699 1.00 1.00 H new ATOM 0 HB VAL X 38 88.507 -6.653 0.066 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.398 -6.702 1.669 1.00 1.00 H new ATOM 0 HG12 VAL X 38 90.826 -7.529 0.152 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.434 -5.888 0.473 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.829 -4.756 1.632 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.867 -3.944 0.436 1.00 1.00 H new ATOM 0 HG23 VAL X 38 88.140 -4.198 0.089 1.00 1.00 H new ATOM 652 N LYS X 39 89.281 -8.061 -2.332 1.00 1.00 N ATOM 653 CA LYS X 39 89.726 -9.353 -2.925 1.00 1.00 C ATOM 654 C LYS X 39 90.200 -9.117 -4.360 1.00 1.00 C ATOM 655 O LYS X 39 91.091 -9.786 -4.848 1.00 1.00 O ATOM 656 CB LYS X 39 88.557 -10.340 -2.931 1.00 1.00 C ATOM 657 CG LYS X 39 88.183 -10.699 -1.491 1.00 1.00 C ATOM 658 CD LYS X 39 86.964 -11.623 -1.494 1.00 1.00 C ATOM 659 CE LYS X 39 86.585 -11.975 -0.054 1.00 1.00 C ATOM 660 NZ LYS X 39 85.302 -12.733 -0.049 1.00 1.00 N ATOM 0 H LYS X 39 88.291 -8.011 -2.091 1.00 1.00 H new ATOM 0 HA LYS X 39 90.545 -9.762 -2.333 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.700 -9.901 -3.442 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.830 -11.240 -3.482 1.00 1.00 H new ATOM 0 HG2 LYS X 39 89.022 -11.189 -0.998 1.00 1.00 H new ATOM 0 HG3 LYS X 39 87.965 -9.794 -0.925 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.126 -11.135 -1.993 1.00 1.00 H new ATOM 0 HD3 LYS X 39 87.184 -12.531 -2.055 1.00 1.00 H new ATOM 0 HE2 LYS X 39 87.374 -12.571 0.406 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.485 -11.066 0.540 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 85.044 -12.972 0.930 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 84.552 -12.149 -0.472 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 85.413 -13.607 -0.601 1.00 1.00 H new ATOM 674 N ASP X 40 89.613 -8.170 -5.038 1.00 1.00 N ATOM 675 CA ASP X 40 90.039 -7.877 -6.435 1.00 1.00 C ATOM 676 C ASP X 40 91.424 -7.225 -6.426 1.00 1.00 C ATOM 677 O ASP X 40 92.120 -7.212 -7.422 1.00 1.00 O ATOM 678 CB ASP X 40 89.032 -6.924 -7.083 1.00 1.00 C ATOM 679 CG ASP X 40 87.725 -7.671 -7.355 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.779 -8.877 -7.525 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.692 -7.022 -7.389 1.00 1.00 O ATOM 0 H ASP X 40 88.856 -7.586 -4.684 1.00 1.00 H new ATOM 0 HA ASP X 40 90.082 -8.807 -7.003 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.847 -6.073 -6.428 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.437 -6.528 -8.014 1.00 1.00 H new ATOM 686 N THR X 41 91.830 -6.684 -5.310 1.00 1.00 N ATOM 687 CA THR X 41 93.152 -5.999 -5.255 1.00 1.00 C ATOM 688 C THR X 41 94.244 -6.960 -5.731 1.00 1.00 C ATOM 689 O THR X 41 95.021 -6.647 -6.611 1.00 1.00 O ATOM 690 CB THR X 41 93.444 -5.566 -3.816 1.00 1.00 C ATOM 691 OG1 THR X 41 92.324 -4.862 -3.298 1.00 1.00 O ATOM 692 CG2 THR X 41 94.676 -4.658 -3.793 1.00 1.00 C ATOM 0 H THR X 41 91.305 -6.687 -4.436 1.00 1.00 H new ATOM 0 HA THR X 41 93.134 -5.121 -5.901 1.00 1.00 H new ATOM 0 HB THR X 41 93.634 -6.447 -3.203 1.00 1.00 H new ATOM 0 HG1 THR X 41 92.509 -4.586 -2.376 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.882 -4.351 -2.768 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.535 -5.200 -4.189 1.00 1.00 H new ATOM 0 HG23 THR X 41 94.489 -3.776 -4.406 1.00 1.00 H new ATOM 700 N CYS X 42 94.310 -8.130 -5.155 1.00 1.00 N ATOM 701 CA CYS X 42 95.382 -9.091 -5.536 1.00 1.00 C ATOM 702 C CYS X 42 94.758 -10.299 -6.238 1.00 1.00 C ATOM 703 O CYS X 42 95.013 -10.554 -7.399 1.00 1.00 O ATOM 704 CB CYS X 42 96.123 -9.555 -4.282 1.00 1.00 C ATOM 705 SG CYS X 42 97.783 -8.833 -4.260 1.00 1.00 S ATOM 0 H CYS X 42 93.666 -8.461 -4.436 1.00 1.00 H new ATOM 0 HA CYS X 42 96.085 -8.602 -6.211 1.00 1.00 H new ATOM 0 HB2 CYS X 42 95.573 -9.256 -3.390 1.00 1.00 H new ATOM 0 HB3 CYS X 42 96.188 -10.643 -4.267 1.00 1.00 H new ATOM 0 HG CYS X 42 98.413 -9.225 -3.193 1.00 1.00 H new ATOM 711 N PRO X 43 93.945 -11.035 -5.532 1.00 1.00 N ATOM 712 CA PRO X 43 93.280 -12.254 -6.073 1.00 1.00 C ATOM 713 C PRO X 43 92.788 -12.054 -7.510 1.00 1.00 C ATOM 714 O PRO X 43 92.904 -12.930 -8.344 1.00 1.00 O ATOM 715 CB PRO X 43 92.100 -12.471 -5.127 1.00 1.00 C ATOM 716 CG PRO X 43 92.512 -11.857 -3.829 1.00 1.00 C ATOM 717 CD PRO X 43 93.570 -10.782 -4.132 1.00 1.00 C ATOM 0 HA PRO X 43 93.962 -13.103 -6.120 1.00 1.00 H new ATOM 0 HB2 PRO X 43 91.195 -12.002 -5.514 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.882 -13.532 -5.008 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.652 -11.415 -3.325 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.919 -12.615 -3.160 1.00 1.00 H new ATOM 0 HD2 PRO X 43 93.167 -9.778 -4.002 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.429 -10.869 -3.467 1.00 1.00 H new ATOM 725 N TRP X 44 92.240 -10.907 -7.806 1.00 1.00 N ATOM 726 CA TRP X 44 91.757 -10.644 -9.192 1.00 1.00 C ATOM 727 C TRP X 44 91.958 -9.166 -9.532 1.00 1.00 C ATOM 728 O TRP X 44 92.923 -8.550 -9.125 1.00 1.00 O ATOM 729 CB TRP X 44 90.270 -10.991 -9.285 1.00 1.00 C ATOM 730 CG TRP X 44 90.069 -12.421 -8.898 1.00 1.00 C ATOM 731 CD1 TRP X 44 90.536 -13.486 -9.588 1.00 1.00 C ATOM 732 CD2 TRP X 44 89.358 -12.958 -7.745 1.00 1.00 C ATOM 733 NE1 TRP X 44 90.157 -14.644 -8.932 1.00 1.00 N ATOM 734 CE2 TRP X 44 89.428 -14.370 -7.790 1.00 1.00 C ATOM 735 CE3 TRP X 44 88.666 -12.362 -6.675 1.00 1.00 C ATOM 736 CZ2 TRP X 44 88.834 -15.164 -6.809 1.00 1.00 C ATOM 737 CZ3 TRP X 44 88.066 -13.158 -5.686 1.00 1.00 C ATOM 738 CH2 TRP X 44 88.150 -14.556 -5.753 1.00 1.00 C ATOM 0 H TRP X 44 92.106 -10.140 -7.147 1.00 1.00 H new ATOM 0 HA TRP X 44 92.320 -11.257 -9.896 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.692 -10.340 -8.629 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.909 -10.823 -10.300 1.00 1.00 H new ATOM 0 HD1 TRP X 44 91.111 -13.440 -10.501 1.00 1.00 H new ATOM 0 HE1 TRP X 44 90.387 -15.585 -9.252 1.00 1.00 H new ATOM 0 HE3 TRP X 44 88.596 -11.286 -6.614 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 88.902 -16.240 -6.865 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 87.537 -12.691 -4.869 1.00 1.00 H new ATOM 0 HH2 TRP X 44 87.686 -15.162 -4.989 1.00 1.00 H new ATOM 749 N PHE X 45 91.054 -8.592 -10.277 1.00 1.00 N ATOM 750 CA PHE X 45 91.180 -7.149 -10.634 1.00 1.00 C ATOM 751 C PHE X 45 90.109 -6.771 -11.661 1.00 1.00 C ATOM 752 O PHE X 45 89.464 -5.748 -11.547 1.00 1.00 O ATOM 753 CB PHE X 45 92.567 -6.892 -11.228 1.00 1.00 C ATOM 754 CG PHE X 45 93.336 -5.953 -10.329 1.00 1.00 C ATOM 755 CD1 PHE X 45 92.831 -4.678 -10.052 1.00 1.00 C ATOM 756 CD2 PHE X 45 94.555 -6.359 -9.775 1.00 1.00 C ATOM 757 CE1 PHE X 45 93.545 -3.808 -9.219 1.00 1.00 C ATOM 758 CE2 PHE X 45 95.270 -5.490 -8.942 1.00 1.00 C ATOM 759 CZ PHE X 45 94.765 -4.214 -8.664 1.00 1.00 C ATOM 0 H PHE X 45 90.231 -9.061 -10.655 1.00 1.00 H new ATOM 0 HA PHE X 45 91.046 -6.544 -9.737 1.00 1.00 H new ATOM 0 HB2 PHE X 45 93.107 -7.832 -11.336 1.00 1.00 H new ATOM 0 HB3 PHE X 45 92.473 -6.462 -12.225 1.00 1.00 H new ATOM 0 HD1 PHE X 45 91.890 -4.365 -10.481 1.00 1.00 H new ATOM 0 HD2 PHE X 45 94.945 -7.343 -9.990 1.00 1.00 H new ATOM 0 HE1 PHE X 45 93.155 -2.824 -9.005 1.00 1.00 H new ATOM 0 HE2 PHE X 45 96.211 -5.804 -8.514 1.00 1.00 H new ATOM 0 HZ PHE X 45 95.316 -3.543 -8.022 1.00 1.00 H new ATOM 769 N PRO X 46 89.928 -7.591 -12.661 1.00 1.00 N ATOM 770 CA PRO X 46 88.940 -7.330 -13.749 1.00 1.00 C ATOM 771 C PRO X 46 87.522 -7.117 -13.210 1.00 1.00 C ATOM 772 O PRO X 46 86.760 -6.331 -13.737 1.00 1.00 O ATOM 773 CB PRO X 46 88.996 -8.592 -14.619 1.00 1.00 C ATOM 774 CG PRO X 46 90.305 -9.241 -14.309 1.00 1.00 C ATOM 775 CD PRO X 46 90.645 -8.856 -12.862 1.00 1.00 C ATOM 0 HA PRO X 46 89.181 -6.418 -14.295 1.00 1.00 H new ATOM 0 HB2 PRO X 46 88.165 -9.260 -14.393 1.00 1.00 H new ATOM 0 HB3 PRO X 46 88.925 -8.341 -15.677 1.00 1.00 H new ATOM 0 HG2 PRO X 46 90.238 -10.323 -14.418 1.00 1.00 H new ATOM 0 HG3 PRO X 46 91.080 -8.899 -14.995 1.00 1.00 H new ATOM 0 HD2 PRO X 46 90.316 -9.619 -12.157 1.00 1.00 H new ATOM 0 HD3 PRO X 46 91.719 -8.734 -12.722 1.00 1.00 H new ATOM 783 N GLN X 47 87.162 -7.815 -12.168 1.00 1.00 N ATOM 784 CA GLN X 47 85.790 -7.660 -11.605 1.00 1.00 C ATOM 785 C GLN X 47 85.611 -6.238 -11.067 1.00 1.00 C ATOM 786 O GLN X 47 86.411 -5.751 -10.293 1.00 1.00 O ATOM 787 CB GLN X 47 85.590 -8.665 -10.468 1.00 1.00 C ATOM 788 CG GLN X 47 85.783 -10.084 -11.004 1.00 1.00 C ATOM 789 CD GLN X 47 84.694 -10.394 -12.032 1.00 1.00 C ATOM 790 OE1 GLN X 47 83.519 -10.292 -11.739 1.00 1.00 O ATOM 791 NE2 GLN X 47 85.036 -10.772 -13.233 1.00 1.00 N ATOM 0 H GLN X 47 87.758 -8.485 -11.682 1.00 1.00 H new ATOM 0 HA GLN X 47 85.055 -7.844 -12.388 1.00 1.00 H new ATOM 0 HB2 GLN X 47 86.300 -8.468 -9.665 1.00 1.00 H new ATOM 0 HB3 GLN X 47 84.592 -8.557 -10.044 1.00 1.00 H new ATOM 0 HG2 GLN X 47 86.768 -10.180 -11.461 1.00 1.00 H new ATOM 0 HG3 GLN X 47 85.740 -10.802 -10.185 1.00 1.00 H new ATOM 0 HE21 GLN X 47 86.022 -10.858 -13.479 1.00 1.00 H new ATOM 0 HE22 GLN X 47 84.317 -10.982 -13.926 1.00 1.00 H new ATOM 800 N GLU X 48 84.570 -5.565 -11.475 1.00 1.00 N ATOM 801 CA GLU X 48 84.344 -4.172 -10.993 1.00 1.00 C ATOM 802 C GLU X 48 82.849 -3.937 -10.768 1.00 1.00 C ATOM 803 O GLU X 48 82.020 -4.736 -11.155 1.00 1.00 O ATOM 804 CB GLU X 48 84.862 -3.181 -12.038 1.00 1.00 C ATOM 805 CG GLU X 48 86.390 -3.246 -12.090 1.00 1.00 C ATOM 806 CD GLU X 48 86.904 -2.309 -13.185 1.00 1.00 C ATOM 807 OE1 GLU X 48 86.084 -1.651 -13.806 1.00 1.00 O ATOM 808 OE2 GLU X 48 88.106 -2.266 -13.385 1.00 1.00 O ATOM 0 H GLU X 48 83.865 -5.920 -12.122 1.00 1.00 H new ATOM 0 HA GLU X 48 84.877 -4.026 -10.053 1.00 1.00 H new ATOM 0 HB2 GLU X 48 84.444 -3.417 -13.017 1.00 1.00 H new ATOM 0 HB3 GLU X 48 84.539 -2.170 -11.788 1.00 1.00 H new ATOM 0 HG2 GLU X 48 86.810 -2.960 -11.126 1.00 1.00 H new ATOM 0 HG3 GLU X 48 86.715 -4.267 -12.289 1.00 1.00 H new ATOM 815 N GLY X 49 82.500 -2.848 -10.137 1.00 1.00 N ATOM 816 CA GLY X 49 81.058 -2.568 -9.877 1.00 1.00 C ATOM 817 C GLY X 49 80.880 -1.101 -9.479 1.00 1.00 C ATOM 818 O GLY X 49 81.831 -0.417 -9.157 1.00 1.00 O ATOM 0 H GLY X 49 83.149 -2.142 -9.791 1.00 1.00 H new ATOM 0 HA2 GLY X 49 80.469 -2.787 -10.768 1.00 1.00 H new ATOM 0 HA3 GLY X 49 80.689 -3.217 -9.083 1.00 1.00 H new ATOM 822 N THR X 50 79.671 -0.611 -9.494 1.00 1.00 N ATOM 823 CA THR X 50 79.440 0.805 -9.096 1.00 1.00 C ATOM 824 C THR X 50 79.807 0.984 -7.622 1.00 1.00 C ATOM 825 O THR X 50 79.549 0.127 -6.800 1.00 1.00 O ATOM 826 CB THR X 50 77.965 1.161 -9.302 1.00 1.00 C ATOM 827 OG1 THR X 50 77.697 1.272 -10.693 1.00 1.00 O ATOM 828 CG2 THR X 50 77.658 2.493 -8.614 1.00 1.00 C ATOM 0 H THR X 50 78.835 -1.129 -9.764 1.00 1.00 H new ATOM 0 HA THR X 50 80.059 1.461 -9.708 1.00 1.00 H new ATOM 0 HB THR X 50 77.339 0.380 -8.871 1.00 1.00 H new ATOM 0 HG1 THR X 50 76.753 1.498 -10.827 1.00 1.00 H new ATOM 0 HG21 THR X 50 76.608 2.745 -8.761 1.00 1.00 H new ATOM 0 HG22 THR X 50 77.864 2.408 -7.547 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.283 3.276 -9.043 1.00 1.00 H new ATOM 836 N ILE X 51 80.406 2.092 -7.280 1.00 1.00 N ATOM 837 CA ILE X 51 80.789 2.324 -5.858 1.00 1.00 C ATOM 838 C ILE X 51 80.293 3.702 -5.413 1.00 1.00 C ATOM 839 O ILE X 51 80.435 4.681 -6.118 1.00 1.00 O ATOM 840 CB ILE X 51 82.312 2.261 -5.727 1.00 1.00 C ATOM 841 CG1 ILE X 51 82.683 1.632 -4.382 1.00 1.00 C ATOM 842 CG2 ILE X 51 82.889 3.676 -5.803 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.007 2.409 -3.251 1.00 1.00 C ATOM 0 H ILE X 51 80.647 2.846 -7.923 1.00 1.00 H new ATOM 0 HA ILE X 51 80.337 1.557 -5.229 1.00 1.00 H new ATOM 0 HB ILE X 51 82.721 1.657 -6.537 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.370 0.588 -4.358 1.00 1.00 H new ATOM 0 HG13 ILE X 51 83.765 1.643 -4.249 1.00 1.00 H new ATOM 0 HG21 ILE X 51 83.974 3.632 -5.710 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.625 4.126 -6.760 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.479 4.280 -4.993 1.00 1.00 H new ATOM 0 HD11 ILE X 51 82.271 1.961 -2.293 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.342 3.446 -3.271 1.00 1.00 H new ATOM 0 HD13 ILE X 51 80.925 2.374 -3.382 1.00 1.00 H new ATOM 855 N ASP X 52 79.711 3.783 -4.248 1.00 1.00 N ATOM 856 CA ASP X 52 79.198 5.094 -3.758 1.00 1.00 C ATOM 857 C ASP X 52 80.372 6.027 -3.449 1.00 1.00 C ATOM 858 O ASP X 52 81.368 5.617 -2.887 1.00 1.00 O ATOM 859 CB ASP X 52 78.373 4.876 -2.488 1.00 1.00 C ATOM 860 CG ASP X 52 76.981 4.365 -2.864 1.00 1.00 C ATOM 861 OD1 ASP X 52 76.779 4.054 -4.026 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.140 4.292 -1.982 1.00 1.00 O ATOM 0 H ASP X 52 79.568 2.997 -3.614 1.00 1.00 H new ATOM 0 HA ASP X 52 78.572 5.546 -4.528 1.00 1.00 H new ATOM 0 HB2 ASP X 52 78.872 4.158 -1.837 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.291 5.809 -1.930 1.00 1.00 H new ATOM 867 N ILE X 53 80.265 7.276 -3.811 1.00 1.00 N ATOM 868 CA ILE X 53 81.378 8.229 -3.534 1.00 1.00 C ATOM 869 C ILE X 53 81.495 8.451 -2.024 1.00 1.00 C ATOM 870 O ILE X 53 82.544 8.796 -1.518 1.00 1.00 O ATOM 871 CB ILE X 53 81.091 9.564 -4.225 1.00 1.00 C ATOM 872 CG1 ILE X 53 80.913 9.331 -5.727 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.263 10.520 -3.994 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.485 10.638 -6.398 1.00 1.00 C ATOM 0 H ILE X 53 79.457 7.678 -4.286 1.00 1.00 H new ATOM 0 HA ILE X 53 82.313 7.817 -3.915 1.00 1.00 H new ATOM 0 HB ILE X 53 80.180 9.999 -3.813 1.00 1.00 H new ATOM 0 HG12 ILE X 53 81.846 8.974 -6.164 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.164 8.558 -5.900 1.00 1.00 H new ATOM 0 HG21 ILE X 53 82.059 11.471 -4.486 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.392 10.685 -2.924 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.174 10.086 -4.407 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.358 10.473 -7.468 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.542 10.976 -5.968 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.250 11.398 -6.236 1.00 1.00 H new ATOM 886 N LYS X 54 80.425 8.256 -1.301 1.00 1.00 N ATOM 887 CA LYS X 54 80.476 8.463 0.174 1.00 1.00 C ATOM 888 C LYS X 54 81.422 7.435 0.798 1.00 1.00 C ATOM 889 O LYS X 54 82.187 7.742 1.691 1.00 1.00 O ATOM 890 CB LYS X 54 79.075 8.293 0.764 1.00 1.00 C ATOM 891 CG LYS X 54 78.214 9.500 0.391 1.00 1.00 C ATOM 892 CD LYS X 54 76.821 9.340 1.002 1.00 1.00 C ATOM 893 CE LYS X 54 75.998 10.602 0.733 1.00 1.00 C ATOM 894 NZ LYS X 54 76.586 11.749 1.482 1.00 1.00 N ATOM 0 H LYS X 54 79.520 7.963 -1.668 1.00 1.00 H new ATOM 0 HA LYS X 54 80.838 9.469 0.388 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.619 7.377 0.387 1.00 1.00 H new ATOM 0 HB3 LYS X 54 79.135 8.197 1.848 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.678 10.417 0.753 1.00 1.00 H new ATOM 0 HG3 LYS X 54 78.140 9.586 -0.693 1.00 1.00 H new ATOM 0 HD2 LYS X 54 76.323 8.470 0.575 1.00 1.00 H new ATOM 0 HD3 LYS X 54 76.901 9.167 2.075 1.00 1.00 H new ATOM 0 HE2 LYS X 54 75.985 10.820 -0.335 1.00 1.00 H new ATOM 0 HE3 LYS X 54 74.963 10.446 1.039 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 75.873 12.499 1.584 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 76.889 11.430 2.424 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 77.407 12.119 0.961 1.00 1.00 H new ATOM 908 N PHE X 55 81.379 6.216 0.333 1.00 1.00 N ATOM 909 CA PHE X 55 82.249 5.161 0.924 1.00 1.00 C ATOM 910 C PHE X 55 83.683 5.350 0.423 1.00 1.00 C ATOM 911 O PHE X 55 84.622 4.844 1.005 1.00 1.00 O ATOM 912 CB PHE X 55 81.734 3.781 0.508 1.00 1.00 C ATOM 913 CG PHE X 55 82.185 2.747 1.512 1.00 1.00 C ATOM 914 CD1 PHE X 55 81.486 2.586 2.713 1.00 1.00 C ATOM 915 CD2 PHE X 55 83.303 1.950 1.240 1.00 1.00 C ATOM 916 CE1 PHE X 55 81.906 1.628 3.645 1.00 1.00 C ATOM 917 CE2 PHE X 55 83.723 0.992 2.171 1.00 1.00 C ATOM 918 CZ PHE X 55 83.024 0.831 3.373 1.00 1.00 C ATOM 0 H PHE X 55 80.779 5.906 -0.431 1.00 1.00 H new ATOM 0 HA PHE X 55 82.231 5.237 2.011 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.646 3.792 0.446 1.00 1.00 H new ATOM 0 HB3 PHE X 55 82.107 3.526 -0.484 1.00 1.00 H new ATOM 0 HD1 PHE X 55 80.623 3.200 2.922 1.00 1.00 H new ATOM 0 HD2 PHE X 55 83.842 2.074 0.312 1.00 1.00 H new ATOM 0 HE1 PHE X 55 81.367 1.505 4.573 1.00 1.00 H new ATOM 0 HE2 PHE X 55 84.586 0.377 1.962 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.347 0.092 4.091 1.00 1.00 H new ATOM 928 N TRP X 56 83.862 6.071 -0.649 1.00 1.00 N ATOM 929 CA TRP X 56 85.239 6.285 -1.177 1.00 1.00 C ATOM 930 C TRP X 56 86.130 6.859 -0.074 1.00 1.00 C ATOM 931 O TRP X 56 87.285 6.503 0.053 1.00 1.00 O ATOM 932 CB TRP X 56 85.188 7.264 -2.352 1.00 1.00 C ATOM 933 CG TRP X 56 86.576 7.691 -2.704 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.646 6.867 -2.780 1.00 1.00 C ATOM 935 CD2 TRP X 56 87.062 9.024 -3.030 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.758 7.610 -3.131 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.449 8.946 -3.297 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.440 10.283 -3.120 1.00 1.00 C ATOM 939 CZ2 TRP X 56 89.192 10.075 -3.641 1.00 1.00 C ATOM 940 CZ3 TRP X 56 87.185 11.421 -3.465 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.559 11.318 -3.725 1.00 1.00 C ATOM 0 H TRP X 56 83.117 6.520 -1.181 1.00 1.00 H new ATOM 0 HA TRP X 56 85.649 5.333 -1.513 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.712 6.793 -3.212 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.584 8.133 -2.090 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.634 5.803 -2.597 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.692 7.219 -3.253 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.382 10.374 -2.922 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.250 9.989 -3.841 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.697 12.382 -3.531 1.00 1.00 H new ATOM 0 HH2 TRP X 56 89.127 12.198 -3.990 1.00 1.00 H new ATOM 952 N ARG X 57 85.605 7.745 0.727 1.00 1.00 N ATOM 953 CA ARG X 57 86.427 8.342 1.818 1.00 1.00 C ATOM 954 C ARG X 57 86.855 7.245 2.793 1.00 1.00 C ATOM 955 O ARG X 57 87.979 7.215 3.254 1.00 1.00 O ATOM 956 CB ARG X 57 85.603 9.395 2.562 1.00 1.00 C ATOM 957 CG ARG X 57 85.419 10.624 1.670 1.00 1.00 C ATOM 958 CD ARG X 57 83.956 11.071 1.713 1.00 1.00 C ATOM 959 NE ARG X 57 83.592 11.448 3.107 1.00 1.00 N ATOM 960 CZ ARG X 57 83.944 12.612 3.583 1.00 1.00 C ATOM 961 NH1 ARG X 57 84.611 13.448 2.836 1.00 1.00 N ATOM 962 NH2 ARG X 57 83.627 12.939 4.806 1.00 1.00 N ATOM 0 H ARG X 57 84.644 8.081 0.674 1.00 1.00 H new ATOM 0 HA ARG X 57 87.312 8.812 1.389 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.632 8.984 2.837 1.00 1.00 H new ATOM 0 HB3 ARG X 57 86.104 9.677 3.488 1.00 1.00 H new ATOM 0 HG2 ARG X 57 86.067 11.432 2.008 1.00 1.00 H new ATOM 0 HG3 ARG X 57 85.709 10.390 0.646 1.00 1.00 H new ATOM 0 HD2 ARG X 57 83.804 11.918 1.044 1.00 1.00 H new ATOM 0 HD3 ARG X 57 83.309 10.267 1.362 1.00 1.00 H new ATOM 0 HE ARG X 57 83.067 10.796 3.691 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.858 13.193 1.880 1.00 1.00 H new ATOM 0 HH12 ARG X 57 84.886 14.357 3.208 1.00 1.00 H new ATOM 0 HH21 ARG X 57 83.105 12.286 5.390 1.00 1.00 H new ATOM 0 HH22 ARG X 57 83.902 13.848 5.178 1.00 1.00 H new ATOM 976 N ARG X 58 85.970 6.341 3.111 1.00 1.00 N ATOM 977 CA ARG X 58 86.328 5.250 4.060 1.00 1.00 C ATOM 978 C ARG X 58 87.381 4.342 3.420 1.00 1.00 C ATOM 979 O ARG X 58 88.293 3.876 4.073 1.00 1.00 O ATOM 980 CB ARG X 58 85.080 4.430 4.389 1.00 1.00 C ATOM 981 CG ARG X 58 84.129 5.266 5.247 1.00 1.00 C ATOM 982 CD ARG X 58 82.826 4.496 5.466 1.00 1.00 C ATOM 983 NE ARG X 58 83.116 3.219 6.176 1.00 1.00 N ATOM 984 CZ ARG X 58 83.205 3.202 7.478 1.00 1.00 C ATOM 985 NH1 ARG X 58 83.038 4.303 8.159 1.00 1.00 N ATOM 986 NH2 ARG X 58 83.459 2.083 8.101 1.00 1.00 N ATOM 0 H ARG X 58 85.015 6.311 2.755 1.00 1.00 H new ATOM 0 HA ARG X 58 86.730 5.683 4.976 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.582 4.123 3.470 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.360 3.520 4.920 1.00 1.00 H new ATOM 0 HG2 ARG X 58 84.594 5.495 6.206 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.923 6.218 4.758 1.00 1.00 H new ATOM 0 HD2 ARG X 58 82.129 5.098 6.049 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.347 4.291 4.509 1.00 1.00 H new ATOM 0 HE ARG X 58 83.245 2.358 5.645 1.00 1.00 H new ATOM 0 HH11 ARG X 58 82.838 5.177 7.674 1.00 1.00 H new ATOM 0 HH12 ARG X 58 83.108 4.289 9.177 1.00 1.00 H new ATOM 0 HH21 ARG X 58 83.588 1.222 7.570 1.00 1.00 H new ATOM 0 HH22 ARG X 58 83.528 2.070 9.119 1.00 1.00 H new ATOM 1000 N VAL X 59 87.261 4.088 2.145 1.00 1.00 N ATOM 1001 CA VAL X 59 88.250 3.207 1.467 1.00 1.00 C ATOM 1002 C VAL X 59 89.634 3.858 1.522 1.00 1.00 C ATOM 1003 O VAL X 59 90.624 3.212 1.802 1.00 1.00 O ATOM 1004 CB VAL X 59 87.839 3.006 0.006 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.984 2.342 -0.762 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.599 2.111 -0.054 1.00 1.00 C ATOM 0 H VAL X 59 86.521 4.453 1.545 1.00 1.00 H new ATOM 0 HA VAL X 59 88.281 2.241 1.971 1.00 1.00 H new ATOM 0 HB VAL X 59 87.614 3.973 -0.444 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.690 2.199 -1.802 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.868 2.978 -0.719 1.00 1.00 H new ATOM 0 HG13 VAL X 59 89.210 1.375 -0.313 1.00 1.00 H new ATOM 0 HG21 VAL X 59 86.305 1.967 -1.093 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.826 1.145 0.397 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.782 2.583 0.492 1.00 1.00 H new ATOM 1016 N GLY X 60 89.709 5.134 1.259 1.00 1.00 N ATOM 1017 CA GLY X 60 91.029 5.825 1.283 1.00 1.00 C ATOM 1018 C GLY X 60 91.653 5.686 2.672 1.00 1.00 C ATOM 1019 O GLY X 60 92.806 5.330 2.813 1.00 1.00 O ATOM 0 H GLY X 60 88.913 5.728 1.028 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.690 5.395 0.531 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.904 6.878 1.033 1.00 1.00 H new ATOM 1023 N ASP X 61 90.902 5.967 3.702 1.00 1.00 N ATOM 1024 CA ASP X 61 91.457 5.859 5.081 1.00 1.00 C ATOM 1025 C ASP X 61 91.769 4.394 5.393 1.00 1.00 C ATOM 1026 O ASP X 61 92.745 4.081 6.043 1.00 1.00 O ATOM 1027 CB ASP X 61 90.432 6.388 6.086 1.00 1.00 C ATOM 1028 CG ASP X 61 90.539 7.911 6.172 1.00 1.00 C ATOM 1029 OD1 ASP X 61 91.447 8.456 5.566 1.00 1.00 O ATOM 1030 OD2 ASP X 61 89.712 8.507 6.841 1.00 1.00 O ATOM 0 H ASP X 61 89.928 6.267 3.648 1.00 1.00 H new ATOM 0 HA ASP X 61 92.372 6.447 5.151 1.00 1.00 H new ATOM 0 HB2 ASP X 61 89.426 6.100 5.781 1.00 1.00 H new ATOM 0 HB3 ASP X 61 90.606 5.945 7.066 1.00 1.00 H new ATOM 1035 N CYS X 62 90.946 3.492 4.932 1.00 1.00 N ATOM 1036 CA CYS X 62 91.189 2.050 5.211 1.00 1.00 C ATOM 1037 C CYS X 62 92.417 1.578 4.430 1.00 1.00 C ATOM 1038 O CYS X 62 93.319 0.976 4.977 1.00 1.00 O ATOM 1039 CB CYS X 62 89.968 1.234 4.783 1.00 1.00 C ATOM 1040 SG CYS X 62 88.542 1.704 5.795 1.00 1.00 S ATOM 0 H CYS X 62 90.116 3.692 4.374 1.00 1.00 H new ATOM 0 HA CYS X 62 91.362 1.912 6.278 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.752 1.408 3.729 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.172 0.169 4.895 1.00 1.00 H new ATOM 0 HG CYS X 62 88.086 2.854 5.395 1.00 1.00 H new ATOM 1046 N PHE X 63 92.460 1.848 3.154 1.00 1.00 N ATOM 1047 CA PHE X 63 93.631 1.415 2.340 1.00 1.00 C ATOM 1048 C PHE X 63 94.900 2.077 2.879 1.00 1.00 C ATOM 1049 O PHE X 63 95.934 1.451 3.005 1.00 1.00 O ATOM 1050 CB PHE X 63 93.420 1.826 0.881 1.00 1.00 C ATOM 1051 CG PHE X 63 92.760 0.696 0.129 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.738 -0.046 0.735 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.169 0.390 -1.174 1.00 1.00 C ATOM 1054 CE1 PHE X 63 91.127 -1.095 0.037 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.558 -0.659 -1.871 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.536 -1.401 -1.266 1.00 1.00 C ATOM 0 H PHE X 63 91.735 2.349 2.640 1.00 1.00 H new ATOM 0 HA PHE X 63 93.734 0.331 2.400 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.800 2.721 0.830 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.376 2.074 0.420 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.421 0.191 1.740 1.00 1.00 H new ATOM 0 HD2 PHE X 63 93.956 0.963 -1.642 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.340 -1.668 0.504 1.00 1.00 H new ATOM 0 HE2 PHE X 63 92.875 -0.896 -2.876 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.064 -2.209 -1.805 1.00 1.00 H new ATOM 1066 N GLN X 64 94.831 3.340 3.199 1.00 1.00 N ATOM 1067 CA GLN X 64 96.033 4.041 3.733 1.00 1.00 C ATOM 1068 C GLN X 64 96.496 3.351 5.018 1.00 1.00 C ATOM 1069 O GLN X 64 97.677 3.185 5.253 1.00 1.00 O ATOM 1070 CB GLN X 64 95.680 5.499 4.038 1.00 1.00 C ATOM 1071 CG GLN X 64 96.951 6.264 4.412 1.00 1.00 C ATOM 1072 CD GLN X 64 96.607 7.734 4.664 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.576 8.211 4.233 1.00 1.00 O ATOM 1074 NE2 GLN X 64 97.434 8.477 5.349 1.00 1.00 N ATOM 0 H GLN X 64 93.994 3.917 3.114 1.00 1.00 H new ATOM 0 HA GLN X 64 96.832 4.007 2.992 1.00 1.00 H new ATOM 0 HB2 GLN X 64 95.208 5.959 3.170 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.960 5.547 4.855 1.00 1.00 H new ATOM 0 HG2 GLN X 64 97.402 5.827 5.303 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.686 6.184 3.611 1.00 1.00 H new ATOM 0 HE21 GLN X 64 98.299 8.076 5.711 1.00 1.00 H new ATOM 0 HE22 GLN X 64 97.214 9.458 5.522 1.00 1.00 H new ATOM 1083 N ASP X 65 95.576 2.947 5.851 1.00 1.00 N ATOM 1084 CA ASP X 65 95.970 2.276 7.121 1.00 1.00 C ATOM 1085 C ASP X 65 96.751 1.001 6.800 1.00 1.00 C ATOM 1086 O ASP X 65 97.783 0.729 7.380 1.00 1.00 O ATOM 1087 CB ASP X 65 94.713 1.919 7.919 1.00 1.00 C ATOM 1088 CG ASP X 65 95.110 1.484 9.331 1.00 1.00 C ATOM 1089 OD1 ASP X 65 96.127 1.958 9.811 1.00 1.00 O ATOM 1090 OD2 ASP X 65 94.392 0.685 9.907 1.00 1.00 O ATOM 0 H ASP X 65 94.572 3.052 5.707 1.00 1.00 H new ATOM 0 HA ASP X 65 96.595 2.947 7.710 1.00 1.00 H new ATOM 0 HB2 ASP X 65 94.044 2.778 7.967 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.168 1.118 7.420 1.00 1.00 H new ATOM 1095 N TYR X 66 96.265 0.215 5.876 1.00 1.00 N ATOM 1096 CA TYR X 66 96.980 -1.041 5.515 1.00 1.00 C ATOM 1097 C TYR X 66 98.339 -0.697 4.906 1.00 1.00 C ATOM 1098 O TYR X 66 99.313 -1.398 5.101 1.00 1.00 O ATOM 1099 CB TYR X 66 96.149 -1.826 4.498 1.00 1.00 C ATOM 1100 CG TYR X 66 95.014 -2.527 5.206 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.279 -3.614 6.047 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.698 -2.089 5.020 1.00 1.00 C ATOM 1103 CE1 TYR X 66 94.225 -4.264 6.703 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.645 -2.738 5.675 1.00 1.00 C ATOM 1105 CZ TYR X 66 92.909 -3.826 6.516 1.00 1.00 C ATOM 1106 OH TYR X 66 91.870 -4.465 7.162 1.00 1.00 O ATOM 0 H TYR X 66 95.404 0.389 5.357 1.00 1.00 H new ATOM 0 HA TYR X 66 97.126 -1.646 6.410 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.756 -1.152 3.737 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.777 -2.555 3.985 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.295 -3.951 6.190 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.495 -1.250 4.371 1.00 1.00 H new ATOM 0 HE1 TYR X 66 94.428 -5.103 7.353 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.629 -2.400 5.532 1.00 1.00 H new ATOM 0 HH TYR X 66 91.022 -4.035 6.924 1.00 1.00 H new ATOM 1116 N TYR X 67 98.416 0.378 4.171 1.00 1.00 N ATOM 1117 CA TYR X 67 99.712 0.758 3.542 1.00 1.00 C ATOM 1118 C TYR X 67 100.765 0.961 4.633 1.00 1.00 C ATOM 1119 O TYR X 67 101.820 0.358 4.610 1.00 1.00 O ATOM 1120 CB TYR X 67 99.535 2.059 2.756 1.00 1.00 C ATOM 1121 CG TYR X 67 100.844 2.811 2.729 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.809 2.502 1.764 1.00 1.00 C ATOM 1123 CD2 TYR X 67 101.091 3.818 3.670 1.00 1.00 C ATOM 1124 CE1 TYR X 67 103.021 3.201 1.738 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.304 4.517 3.645 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.269 4.208 2.679 1.00 1.00 C ATOM 1127 OH TYR X 67 104.466 4.896 2.655 1.00 1.00 O ATOM 0 H TYR X 67 97.638 1.009 3.979 1.00 1.00 H new ATOM 0 HA TYR X 67 100.035 -0.034 2.866 1.00 1.00 H new ATOM 0 HB2 TYR X 67 99.207 1.841 1.740 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.760 2.672 3.216 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.618 1.724 1.039 1.00 1.00 H new ATOM 0 HD2 TYR X 67 100.346 4.056 4.415 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.765 2.964 0.992 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.495 5.294 4.370 1.00 1.00 H new ATOM 0 HH TYR X 67 104.476 5.561 3.375 1.00 1.00 H new ATOM 1137 N ASN X 68 100.487 1.803 5.589 1.00 1.00 N ATOM 1138 CA ASN X 68 101.482 2.057 6.669 1.00 1.00 C ATOM 1139 C ASN X 68 101.697 0.772 7.470 1.00 1.00 C ATOM 1140 O ASN X 68 102.794 0.474 7.902 1.00 1.00 O ATOM 1141 CB ASN X 68 100.961 3.157 7.596 1.00 1.00 C ATOM 1142 CG ASN X 68 101.971 3.397 8.720 1.00 1.00 C ATOM 1143 OD1 ASN X 68 103.164 3.315 8.508 1.00 1.00 O ATOM 1144 ND2 ASN X 68 101.539 3.694 9.916 1.00 1.00 N ATOM 0 H ASN X 68 99.615 2.326 5.670 1.00 1.00 H new ATOM 0 HA ASN X 68 102.427 2.375 6.228 1.00 1.00 H new ATOM 0 HB2 ASN X 68 100.802 4.077 7.033 1.00 1.00 H new ATOM 0 HB3 ASN X 68 99.997 2.868 8.014 1.00 1.00 H new ATOM 0 HD21 ASN X 68 102.204 3.857 10.672 1.00 1.00 H new ATOM 0 HD22 ASN X 68 100.537 3.763 10.094 1.00 1.00 H new ATOM 1151 N THR X 69 100.659 0.007 7.672 1.00 1.00 N ATOM 1152 CA THR X 69 100.797 -1.238 8.479 1.00 1.00 C ATOM 1153 C THR X 69 101.666 -2.240 7.717 1.00 1.00 C ATOM 1154 O THR X 69 102.554 -2.855 8.273 1.00 1.00 O ATOM 1155 CB THR X 69 99.413 -1.843 8.725 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.607 -0.909 9.429 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.553 -3.122 9.552 1.00 1.00 C ATOM 0 H THR X 69 99.722 0.190 7.313 1.00 1.00 H new ATOM 0 HA THR X 69 101.264 -1.004 9.436 1.00 1.00 H new ATOM 0 HB THR X 69 98.945 -2.079 7.769 1.00 1.00 H new ATOM 0 HG1 THR X 69 98.205 -0.280 8.794 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.567 -3.552 9.727 1.00 1.00 H new ATOM 0 HG22 THR X 69 100.171 -3.839 9.011 1.00 1.00 H new ATOM 0 HG23 THR X 69 100.021 -2.888 10.508 1.00 1.00 H new ATOM 1165 N PHE X 70 101.419 -2.407 6.446 1.00 1.00 N ATOM 1166 CA PHE X 70 102.203 -3.401 5.660 1.00 1.00 C ATOM 1167 C PHE X 70 103.062 -2.667 4.630 1.00 1.00 C ATOM 1168 O PHE X 70 104.257 -2.867 4.547 1.00 1.00 O ATOM 1169 CB PHE X 70 101.245 -4.352 4.940 1.00 1.00 C ATOM 1170 CG PHE X 70 100.719 -5.374 5.919 1.00 1.00 C ATOM 1171 CD1 PHE X 70 101.418 -6.569 6.126 1.00 1.00 C ATOM 1172 CD2 PHE X 70 99.532 -5.128 6.618 1.00 1.00 C ATOM 1173 CE1 PHE X 70 100.931 -7.517 7.034 1.00 1.00 C ATOM 1174 CE2 PHE X 70 99.044 -6.076 7.526 1.00 1.00 C ATOM 1175 CZ PHE X 70 99.744 -7.271 7.734 1.00 1.00 C ATOM 0 H PHE X 70 100.709 -1.899 5.919 1.00 1.00 H new ATOM 0 HA PHE X 70 102.845 -3.972 6.331 1.00 1.00 H new ATOM 0 HB2 PHE X 70 100.418 -3.791 4.504 1.00 1.00 H new ATOM 0 HB3 PHE X 70 101.760 -4.851 4.119 1.00 1.00 H new ATOM 0 HD1 PHE X 70 102.333 -6.760 5.585 1.00 1.00 H new ATOM 0 HD2 PHE X 70 98.992 -4.207 6.457 1.00 1.00 H new ATOM 0 HE1 PHE X 70 101.471 -8.438 7.194 1.00 1.00 H new ATOM 0 HE2 PHE X 70 98.128 -5.886 8.066 1.00 1.00 H new ATOM 0 HZ PHE X 70 99.368 -8.002 8.434 1.00 1.00 H new ATOM 1185 N GLY X 71 102.460 -1.814 3.846 1.00 1.00 N ATOM 1186 CA GLY X 71 103.237 -1.078 2.808 1.00 1.00 C ATOM 1187 C GLY X 71 102.436 -1.036 1.508 1.00 1.00 C ATOM 1188 O GLY X 71 101.265 -1.362 1.478 1.00 1.00 O ATOM 0 H GLY X 71 101.464 -1.595 3.879 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.451 -0.065 3.149 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.196 -1.568 2.641 1.00 1.00 H new ATOM 1192 N PRO X 72 103.069 -0.636 0.439 1.00 1.00 N ATOM 1193 CA PRO X 72 102.420 -0.543 -0.899 1.00 1.00 C ATOM 1194 C PRO X 72 102.014 -1.918 -1.435 1.00 1.00 C ATOM 1195 O PRO X 72 101.170 -2.032 -2.302 1.00 1.00 O ATOM 1196 CB PRO X 72 103.490 0.091 -1.803 1.00 1.00 C ATOM 1197 CG PRO X 72 104.602 0.532 -0.903 1.00 1.00 C ATOM 1198 CD PRO X 72 104.474 -0.229 0.388 1.00 1.00 C ATOM 0 HA PRO X 72 101.500 0.040 -0.856 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.850 -0.627 -2.540 1.00 1.00 H new ATOM 0 HB3 PRO X 72 103.080 0.937 -2.355 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.569 0.338 -1.367 1.00 1.00 H new ATOM 0 HG3 PRO X 72 104.545 1.605 -0.722 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.138 -1.093 0.406 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.738 0.394 1.243 1.00 1.00 H new ATOM 1206 N GLU X 73 102.603 -2.963 -0.922 1.00 1.00 N ATOM 1207 CA GLU X 73 102.250 -4.327 -1.406 1.00 1.00 C ATOM 1208 C GLU X 73 100.742 -4.539 -1.262 1.00 1.00 C ATOM 1209 O GLU X 73 100.057 -4.868 -2.209 1.00 1.00 O ATOM 1210 CB GLU X 73 102.995 -5.374 -0.577 1.00 1.00 C ATOM 1211 CG GLU X 73 104.480 -5.357 -0.943 1.00 1.00 C ATOM 1212 CD GLU X 73 105.225 -6.400 -0.108 1.00 1.00 C ATOM 1213 OE1 GLU X 73 104.582 -7.061 0.689 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.427 -6.519 -0.281 1.00 1.00 O ATOM 0 H GLU X 73 103.312 -2.931 -0.190 1.00 1.00 H new ATOM 0 HA GLU X 73 102.535 -4.428 -2.453 1.00 1.00 H new ATOM 0 HB2 GLU X 73 102.870 -5.167 0.486 1.00 1.00 H new ATOM 0 HB3 GLU X 73 102.576 -6.363 -0.761 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.606 -5.569 -2.005 1.00 1.00 H new ATOM 0 HG3 GLU X 73 104.898 -4.366 -0.764 1.00 1.00 H new ATOM 1221 N LYS X 74 100.219 -4.351 -0.080 1.00 1.00 N ATOM 1222 CA LYS X 74 98.760 -4.560 0.131 1.00 1.00 C ATOM 1223 C LYS X 74 97.977 -3.541 -0.698 1.00 1.00 C ATOM 1224 O LYS X 74 96.988 -3.864 -1.325 1.00 1.00 O ATOM 1225 CB LYS X 74 98.427 -4.375 1.613 1.00 1.00 C ATOM 1226 CG LYS X 74 99.100 -5.481 2.429 1.00 1.00 C ATOM 1227 CD LYS X 74 98.434 -6.823 2.120 1.00 1.00 C ATOM 1228 CE LYS X 74 98.675 -7.791 3.280 1.00 1.00 C ATOM 1229 NZ LYS X 74 98.189 -9.149 2.901 1.00 1.00 N ATOM 0 H LYS X 74 100.740 -4.062 0.748 1.00 1.00 H new ATOM 0 HA LYS X 74 98.488 -5.569 -0.179 1.00 1.00 H new ATOM 0 HB2 LYS X 74 98.768 -3.398 1.954 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.347 -4.405 1.761 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.163 -5.527 2.191 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.021 -5.261 3.494 1.00 1.00 H new ATOM 0 HD2 LYS X 74 97.364 -6.683 1.965 1.00 1.00 H new ATOM 0 HD3 LYS X 74 98.838 -7.238 1.196 1.00 1.00 H new ATOM 0 HE2 LYS X 74 99.737 -7.827 3.523 1.00 1.00 H new ATOM 0 HE3 LYS X 74 98.155 -7.443 4.173 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 98.352 -9.808 3.689 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 97.172 -9.107 2.690 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 98.704 -9.480 2.060 1.00 1.00 H new ATOM 1243 N VAL X 75 98.412 -2.311 -0.706 1.00 1.00 N ATOM 1244 CA VAL X 75 97.689 -1.271 -1.487 1.00 1.00 C ATOM 1245 C VAL X 75 98.681 -0.201 -1.951 1.00 1.00 C ATOM 1246 O VAL X 75 98.937 0.762 -1.258 1.00 1.00 O ATOM 1247 CB VAL X 75 96.620 -0.624 -0.605 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.608 -1.685 -0.170 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.282 -0.014 0.633 1.00 1.00 C ATOM 0 H VAL X 75 99.237 -1.982 -0.205 1.00 1.00 H new ATOM 0 HA VAL X 75 97.216 -1.731 -2.355 1.00 1.00 H new ATOM 0 HB VAL X 75 96.109 0.158 -1.167 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.846 -1.225 0.459 1.00 1.00 H new ATOM 0 HG12 VAL X 75 95.137 -2.121 -1.051 1.00 1.00 H new ATOM 0 HG13 VAL X 75 96.119 -2.466 0.393 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.521 0.447 1.262 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.793 -0.796 1.195 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.004 0.742 0.324 1.00 1.00 H new ATOM 1259 N PRO X 76 99.233 -0.377 -3.120 1.00 1.00 N ATOM 1260 CA PRO X 76 100.204 0.586 -3.708 1.00 1.00 C ATOM 1261 C PRO X 76 99.507 1.762 -4.399 1.00 1.00 C ATOM 1262 O PRO X 76 98.295 1.846 -4.432 1.00 1.00 O ATOM 1263 CB PRO X 76 100.972 -0.257 -4.725 1.00 1.00 C ATOM 1264 CG PRO X 76 100.033 -1.351 -5.120 1.00 1.00 C ATOM 1265 CD PRO X 76 98.990 -1.520 -4.014 1.00 1.00 C ATOM 0 HA PRO X 76 100.841 1.040 -2.948 1.00 1.00 H new ATOM 0 HB2 PRO X 76 101.266 0.340 -5.588 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.886 -0.661 -4.290 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.547 -1.110 -6.065 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.579 -2.282 -5.271 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.977 -1.505 -4.415 1.00 1.00 H new ATOM 0 HD3 PRO X 76 99.112 -2.469 -3.491 1.00 1.00 H new ATOM 1273 N VAL X 77 100.264 2.671 -4.951 1.00 1.00 N ATOM 1274 CA VAL X 77 99.646 3.841 -5.636 1.00 1.00 C ATOM 1275 C VAL X 77 98.696 3.349 -6.729 1.00 1.00 C ATOM 1276 O VAL X 77 97.785 4.044 -7.133 1.00 1.00 O ATOM 1277 CB VAL X 77 100.743 4.702 -6.266 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.494 3.882 -7.317 1.00 1.00 C ATOM 1279 CG2 VAL X 77 100.111 5.926 -6.932 1.00 1.00 C ATOM 0 H VAL X 77 101.284 2.654 -4.957 1.00 1.00 H new ATOM 0 HA VAL X 77 99.090 4.434 -4.910 1.00 1.00 H new ATOM 0 HB VAL X 77 101.439 5.027 -5.493 1.00 1.00 H new ATOM 0 HG11 VAL X 77 102.276 4.495 -7.766 1.00 1.00 H new ATOM 0 HG12 VAL X 77 101.944 3.009 -6.844 1.00 1.00 H new ATOM 0 HG13 VAL X 77 100.798 3.557 -8.091 1.00 1.00 H new ATOM 0 HG21 VAL X 77 100.892 6.540 -7.381 1.00 1.00 H new ATOM 0 HG22 VAL X 77 99.415 5.601 -7.706 1.00 1.00 H new ATOM 0 HG23 VAL X 77 99.575 6.511 -6.185 1.00 1.00 H new ATOM 1289 N THR X 78 98.901 2.154 -7.211 1.00 1.00 N ATOM 1290 CA THR X 78 98.014 1.621 -8.284 1.00 1.00 C ATOM 1291 C THR X 78 96.576 1.553 -7.768 1.00 1.00 C ATOM 1292 O THR X 78 95.632 1.770 -8.502 1.00 1.00 O ATOM 1293 CB THR X 78 98.479 0.218 -8.683 1.00 1.00 C ATOM 1294 OG1 THR X 78 98.010 -0.724 -7.727 1.00 1.00 O ATOM 1295 CG2 THR X 78 100.007 0.178 -8.735 1.00 1.00 C ATOM 0 H THR X 78 99.644 1.524 -6.909 1.00 1.00 H new ATOM 0 HA THR X 78 98.059 2.279 -9.152 1.00 1.00 H new ATOM 0 HB THR X 78 98.079 -0.031 -9.666 1.00 1.00 H new ATOM 0 HG1 THR X 78 98.305 -1.623 -7.982 1.00 1.00 H new ATOM 0 HG21 THR X 78 100.335 -0.822 -9.019 1.00 1.00 H new ATOM 0 HG22 THR X 78 100.365 0.900 -9.469 1.00 1.00 H new ATOM 0 HG23 THR X 78 100.411 0.427 -7.754 1.00 1.00 H new ATOM 1303 N ALA X 79 96.401 1.254 -6.510 1.00 1.00 N ATOM 1304 CA ALA X 79 95.024 1.170 -5.948 1.00 1.00 C ATOM 1305 C ALA X 79 94.289 2.487 -6.204 1.00 1.00 C ATOM 1306 O ALA X 79 93.119 2.504 -6.533 1.00 1.00 O ATOM 1307 CB ALA X 79 95.101 0.914 -4.441 1.00 1.00 C ATOM 0 H ALA X 79 97.153 1.064 -5.847 1.00 1.00 H new ATOM 0 HA ALA X 79 94.485 0.353 -6.428 1.00 1.00 H new ATOM 0 HB1 ALA X 79 94.093 0.853 -4.030 1.00 1.00 H new ATOM 0 HB2 ALA X 79 95.625 -0.024 -4.258 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.640 1.731 -3.960 1.00 1.00 H new ATOM 1313 N PHE X 80 94.966 3.593 -6.055 1.00 1.00 N ATOM 1314 CA PHE X 80 94.308 4.909 -6.290 1.00 1.00 C ATOM 1315 C PHE X 80 94.026 5.076 -7.784 1.00 1.00 C ATOM 1316 O PHE X 80 93.010 5.613 -8.178 1.00 1.00 O ATOM 1317 CB PHE X 80 95.232 6.031 -5.816 1.00 1.00 C ATOM 1318 CG PHE X 80 95.301 6.021 -4.308 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.212 5.182 -3.655 1.00 1.00 C ATOM 1320 CD2 PHE X 80 94.454 6.851 -3.562 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.277 5.173 -2.257 1.00 1.00 C ATOM 1322 CE2 PHE X 80 94.519 6.842 -2.164 1.00 1.00 C ATOM 1323 CZ PHE X 80 95.430 6.003 -1.511 1.00 1.00 C ATOM 0 H PHE X 80 95.947 3.642 -5.780 1.00 1.00 H new ATOM 0 HA PHE X 80 93.370 4.953 -5.736 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.229 5.899 -6.237 1.00 1.00 H new ATOM 0 HB3 PHE X 80 94.862 6.994 -6.168 1.00 1.00 H new ATOM 0 HD1 PHE X 80 96.865 4.542 -4.230 1.00 1.00 H new ATOM 0 HD2 PHE X 80 93.751 7.498 -4.066 1.00 1.00 H new ATOM 0 HE1 PHE X 80 96.980 4.526 -1.753 1.00 1.00 H new ATOM 0 HE2 PHE X 80 93.866 7.482 -1.589 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.480 5.996 -0.432 1.00 1.00 H new ATOM 1333 N SER X 81 94.921 4.622 -8.619 1.00 1.00 N ATOM 1334 CA SER X 81 94.708 4.760 -10.088 1.00 1.00 C ATOM 1335 C SER X 81 93.423 4.031 -10.486 1.00 1.00 C ATOM 1336 O SER X 81 92.598 4.556 -11.206 1.00 1.00 O ATOM 1337 CB SER X 81 95.895 4.148 -10.834 1.00 1.00 C ATOM 1338 OG SER X 81 95.717 4.336 -12.231 1.00 1.00 O ATOM 0 H SER X 81 95.790 4.162 -8.348 1.00 1.00 H new ATOM 0 HA SER X 81 94.622 5.815 -10.347 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.824 4.615 -10.508 1.00 1.00 H new ATOM 0 HB3 SER X 81 95.975 3.085 -10.605 1.00 1.00 H new ATOM 0 HG SER X 81 96.476 3.947 -12.713 1.00 1.00 H new ATOM 1344 N TYR X 82 93.245 2.824 -10.021 1.00 1.00 N ATOM 1345 CA TYR X 82 92.006 2.069 -10.361 1.00 1.00 C ATOM 1346 C TYR X 82 90.787 2.817 -9.819 1.00 1.00 C ATOM 1347 O TYR X 82 89.761 2.901 -10.465 1.00 1.00 O ATOM 1348 CB TYR X 82 92.072 0.673 -9.736 1.00 1.00 C ATOM 1349 CG TYR X 82 93.145 -0.141 -10.420 1.00 1.00 C ATOM 1350 CD1 TYR X 82 92.981 -0.534 -11.754 1.00 1.00 C ATOM 1351 CD2 TYR X 82 94.304 -0.501 -9.722 1.00 1.00 C ATOM 1352 CE1 TYR X 82 93.975 -1.287 -12.390 1.00 1.00 C ATOM 1353 CE2 TYR X 82 95.298 -1.254 -10.358 1.00 1.00 C ATOM 1354 CZ TYR X 82 95.134 -1.646 -11.692 1.00 1.00 C ATOM 1355 OH TYR X 82 96.114 -2.389 -12.319 1.00 1.00 O ATOM 0 H TYR X 82 93.904 2.329 -9.421 1.00 1.00 H new ATOM 0 HA TYR X 82 91.921 1.977 -11.444 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.285 0.751 -8.670 1.00 1.00 H new ATOM 0 HB3 TYR X 82 91.107 0.175 -9.832 1.00 1.00 H new ATOM 0 HD1 TYR X 82 92.087 -0.256 -12.293 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.431 -0.198 -8.693 1.00 1.00 H new ATOM 0 HE1 TYR X 82 93.848 -1.591 -13.419 1.00 1.00 H new ATOM 0 HE2 TYR X 82 96.192 -1.533 -9.819 1.00 1.00 H new ATOM 0 HH TYR X 82 96.852 -2.551 -11.694 1.00 1.00 H new ATOM 1365 N TRP X 83 90.889 3.364 -8.639 1.00 1.00 N ATOM 1366 CA TRP X 83 89.735 4.106 -8.060 1.00 1.00 C ATOM 1367 C TRP X 83 89.463 5.357 -8.897 1.00 1.00 C ATOM 1368 O TRP X 83 88.331 5.751 -9.093 1.00 1.00 O ATOM 1369 CB TRP X 83 90.062 4.516 -6.622 1.00 1.00 C ATOM 1370 CG TRP X 83 88.794 4.627 -5.836 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.061 5.755 -5.700 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.101 3.593 -5.079 1.00 1.00 C ATOM 1373 NE1 TRP X 83 86.960 5.480 -4.908 1.00 1.00 N ATOM 1374 CE2 TRP X 83 86.941 4.161 -4.501 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.362 2.232 -4.840 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.072 3.405 -3.713 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.490 1.469 -4.048 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.347 2.054 -3.486 1.00 1.00 C ATOM 0 H TRP X 83 91.722 3.329 -8.051 1.00 1.00 H new ATOM 0 HA TRP X 83 88.852 3.466 -8.064 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.723 3.781 -6.164 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.591 5.469 -6.615 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.296 6.714 -6.138 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.250 6.167 -4.656 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.239 1.771 -5.269 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.193 3.861 -3.282 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.701 0.425 -3.871 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.680 1.461 -2.878 1.00 1.00 H new ATOM 1389 N ASN X 84 90.494 5.981 -9.396 1.00 1.00 N ATOM 1390 CA ASN X 84 90.297 7.201 -10.227 1.00 1.00 C ATOM 1391 C ASN X 84 89.408 6.858 -11.424 1.00 1.00 C ATOM 1392 O ASN X 84 88.531 7.611 -11.795 1.00 1.00 O ATOM 1393 CB ASN X 84 91.653 7.709 -10.722 1.00 1.00 C ATOM 1394 CG ASN X 84 92.339 8.502 -9.609 1.00 1.00 C ATOM 1395 OD1 ASN X 84 93.531 8.376 -9.404 1.00 1.00 O ATOM 1396 ND2 ASN X 84 91.635 9.319 -8.876 1.00 1.00 N ATOM 0 H ASN X 84 91.465 5.698 -9.264 1.00 1.00 H new ATOM 0 HA ASN X 84 89.820 7.977 -9.629 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.279 6.870 -11.024 1.00 1.00 H new ATOM 0 HB3 ASN X 84 91.518 8.339 -11.601 1.00 1.00 H new ATOM 0 HD21 ASN X 84 92.084 9.852 -8.131 1.00 1.00 H new ATOM 0 HD22 ASN X 84 90.635 9.425 -9.047 1.00 1.00 H new ATOM 1403 N LEU X 85 89.632 5.723 -12.030 1.00 1.00 N ATOM 1404 CA LEU X 85 88.785 5.314 -13.187 1.00 1.00 C ATOM 1405 C LEU X 85 87.345 5.102 -12.718 1.00 1.00 C ATOM 1406 O LEU X 85 86.402 5.437 -13.406 1.00 1.00 O ATOM 1407 CB LEU X 85 89.327 4.012 -13.779 1.00 1.00 C ATOM 1408 CG LEU X 85 90.697 4.268 -14.407 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.316 2.939 -14.844 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.533 5.176 -15.628 1.00 1.00 C ATOM 0 H LEU X 85 90.365 5.062 -11.774 1.00 1.00 H new ATOM 0 HA LEU X 85 88.806 6.095 -13.947 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.408 3.253 -13.001 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.637 3.627 -14.530 1.00 1.00 H new ATOM 0 HG LEU X 85 91.347 4.749 -13.676 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.293 3.122 -15.292 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.431 2.288 -13.977 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.666 2.458 -15.575 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.509 5.360 -16.078 1.00 1.00 H new ATOM 0 HD22 LEU X 85 89.883 4.692 -16.357 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.091 6.123 -15.320 1.00 1.00 H new ATOM 1422 N ILE X 86 87.166 4.550 -11.549 1.00 1.00 N ATOM 1423 CA ILE X 86 85.787 4.326 -11.033 1.00 1.00 C ATOM 1424 C ILE X 86 85.084 5.674 -10.863 1.00 1.00 C ATOM 1425 O ILE X 86 83.929 5.832 -11.205 1.00 1.00 O ATOM 1426 CB ILE X 86 85.856 3.615 -9.681 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.073 2.116 -9.904 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.545 3.831 -8.923 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.727 1.436 -10.156 1.00 1.00 C ATOM 0 H ILE X 86 87.916 4.244 -10.929 1.00 1.00 H new ATOM 0 HA ILE X 86 85.230 3.710 -11.739 1.00 1.00 H new ATOM 0 HB ILE X 86 86.684 4.021 -9.099 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.737 1.957 -10.753 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.558 1.675 -9.033 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.594 3.324 -7.959 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.388 4.898 -8.764 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.717 3.425 -9.505 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.883 0.369 -10.315 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.078 1.584 -9.293 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.260 1.870 -11.040 1.00 1.00 H new ATOM 1441 N LYS X 87 85.774 6.649 -10.339 1.00 1.00 N ATOM 1442 CA LYS X 87 85.145 7.986 -10.141 1.00 1.00 C ATOM 1443 C LYS X 87 84.639 8.514 -11.486 1.00 1.00 C ATOM 1444 O LYS X 87 83.551 9.044 -11.584 1.00 1.00 O ATOM 1445 CB LYS X 87 86.180 8.956 -9.567 1.00 1.00 C ATOM 1446 CG LYS X 87 86.064 8.983 -8.042 1.00 1.00 C ATOM 1447 CD LYS X 87 87.058 9.997 -7.472 1.00 1.00 C ATOM 1448 CE LYS X 87 88.485 9.526 -7.758 1.00 1.00 C ATOM 1449 NZ LYS X 87 89.414 10.115 -6.752 1.00 1.00 N ATOM 0 H LYS X 87 86.746 6.578 -10.039 1.00 1.00 H new ATOM 0 HA LYS X 87 84.309 7.897 -9.448 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.184 8.649 -9.860 1.00 1.00 H new ATOM 0 HB3 LYS X 87 86.021 9.955 -9.972 1.00 1.00 H new ATOM 0 HG2 LYS X 87 85.048 9.249 -7.749 1.00 1.00 H new ATOM 0 HG3 LYS X 87 86.265 7.992 -7.634 1.00 1.00 H new ATOM 0 HD2 LYS X 87 86.891 10.977 -7.918 1.00 1.00 H new ATOM 0 HD3 LYS X 87 86.908 10.106 -6.398 1.00 1.00 H new ATOM 0 HE2 LYS X 87 88.534 8.438 -7.721 1.00 1.00 H new ATOM 0 HE3 LYS X 87 88.783 9.825 -8.763 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 90.298 9.567 -6.733 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 89.623 11.101 -7.008 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 88.970 10.088 -5.812 1.00 1.00 H new ATOM 1463 N GLU X 88 85.421 8.373 -12.522 1.00 1.00 N ATOM 1464 CA GLU X 88 84.984 8.873 -13.856 1.00 1.00 C ATOM 1465 C GLU X 88 83.798 8.040 -14.347 1.00 1.00 C ATOM 1466 O GLU X 88 82.886 8.547 -14.970 1.00 1.00 O ATOM 1467 CB GLU X 88 86.141 8.754 -14.851 1.00 1.00 C ATOM 1468 CG GLU X 88 87.260 9.718 -14.454 1.00 1.00 C ATOM 1469 CD GLU X 88 88.466 9.505 -15.369 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.366 8.687 -16.268 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.471 10.163 -15.155 1.00 1.00 O ATOM 0 H GLU X 88 86.342 7.934 -12.502 1.00 1.00 H new ATOM 0 HA GLU X 88 84.685 9.918 -13.773 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.517 7.731 -14.866 1.00 1.00 H new ATOM 0 HB3 GLU X 88 85.792 8.981 -15.859 1.00 1.00 H new ATOM 0 HG2 GLU X 88 86.911 10.748 -14.529 1.00 1.00 H new ATOM 0 HG3 GLU X 88 87.545 9.553 -13.415 1.00 1.00 H new ATOM 1478 N LEU X 89 83.803 6.765 -14.071 1.00 1.00 N ATOM 1479 CA LEU X 89 82.685 5.897 -14.535 1.00 1.00 C ATOM 1480 C LEU X 89 81.390 6.326 -13.844 1.00 1.00 C ATOM 1481 O LEU X 89 80.384 6.569 -14.482 1.00 1.00 O ATOM 1482 CB LEU X 89 82.991 4.439 -14.187 1.00 1.00 C ATOM 1483 CG LEU X 89 83.410 3.688 -15.452 1.00 1.00 C ATOM 1484 CD1 LEU X 89 84.613 4.387 -16.088 1.00 1.00 C ATOM 1485 CD2 LEU X 89 83.791 2.251 -15.088 1.00 1.00 C ATOM 0 H LEU X 89 84.534 6.287 -13.544 1.00 1.00 H new ATOM 0 HA LEU X 89 82.572 5.995 -15.615 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.786 4.391 -13.443 1.00 1.00 H new ATOM 0 HB3 LEU X 89 82.113 3.968 -13.746 1.00 1.00 H new ATOM 0 HG LEU X 89 82.581 3.678 -16.159 1.00 1.00 H new ATOM 0 HD11 LEU X 89 84.911 3.851 -16.989 1.00 1.00 H new ATOM 0 HD12 LEU X 89 84.344 5.411 -16.347 1.00 1.00 H new ATOM 0 HD13 LEU X 89 85.443 4.398 -15.381 1.00 1.00 H new ATOM 0 HD21 LEU X 89 84.090 1.715 -15.989 1.00 1.00 H new ATOM 0 HD22 LEU X 89 84.620 2.263 -14.381 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.935 1.751 -14.635 1.00 1.00 H new ATOM 1497 N ILE X 90 81.407 6.423 -12.542 1.00 1.00 N ATOM 1498 CA ILE X 90 80.172 6.822 -11.810 1.00 1.00 C ATOM 1499 C ILE X 90 79.888 8.304 -12.062 1.00 1.00 C ATOM 1500 O ILE X 90 78.757 8.705 -12.255 1.00 1.00 O ATOM 1501 CB ILE X 90 80.372 6.587 -10.311 1.00 1.00 C ATOM 1502 CG1 ILE X 90 81.538 7.444 -9.812 1.00 1.00 C ATOM 1503 CG2 ILE X 90 80.684 5.111 -10.062 1.00 1.00 C ATOM 1504 CD1 ILE X 90 81.987 6.943 -8.438 1.00 1.00 C ATOM 0 H ILE X 90 82.222 6.243 -11.955 1.00 1.00 H new ATOM 0 HA ILE X 90 79.330 6.226 -12.162 1.00 1.00 H new ATOM 0 HB ILE X 90 79.462 6.861 -9.777 1.00 1.00 H new ATOM 0 HG12 ILE X 90 82.367 7.395 -10.518 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.234 8.489 -9.749 1.00 1.00 H new ATOM 0 HG21 ILE X 90 80.826 4.944 -8.994 1.00 1.00 H new ATOM 0 HG22 ILE X 90 79.855 4.499 -10.418 1.00 1.00 H new ATOM 0 HG23 ILE X 90 81.593 4.836 -10.597 1.00 1.00 H new ATOM 0 HD11 ILE X 90 82.817 7.553 -8.082 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.157 7.015 -7.735 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.307 5.904 -8.516 1.00 1.00 H new ATOM 1516 N ASP X 91 80.905 9.123 -12.059 1.00 1.00 N ATOM 1517 CA ASP X 91 80.691 10.579 -12.289 1.00 1.00 C ATOM 1518 C ASP X 91 80.082 10.793 -13.677 1.00 1.00 C ATOM 1519 O ASP X 91 79.076 11.457 -13.829 1.00 1.00 O ATOM 1520 CB ASP X 91 82.031 11.312 -12.200 1.00 1.00 C ATOM 1521 CG ASP X 91 82.514 11.322 -10.749 1.00 1.00 C ATOM 1522 OD1 ASP X 91 81.711 11.038 -9.875 1.00 1.00 O ATOM 1523 OD2 ASP X 91 83.679 11.613 -10.534 1.00 1.00 O ATOM 0 H ASP X 91 81.875 8.846 -11.907 1.00 1.00 H new ATOM 0 HA ASP X 91 80.012 10.970 -11.531 1.00 1.00 H new ATOM 0 HB2 ASP X 91 82.768 10.822 -12.836 1.00 1.00 H new ATOM 0 HB3 ASP X 91 81.923 12.333 -12.565 1.00 1.00 H new ATOM 1528 N LYS X 92 80.684 10.234 -14.691 1.00 1.00 N ATOM 1529 CA LYS X 92 80.147 10.414 -16.069 1.00 1.00 C ATOM 1530 C LYS X 92 78.779 9.736 -16.178 1.00 1.00 C ATOM 1531 O LYS X 92 77.864 10.256 -16.785 1.00 1.00 O ATOM 1532 CB LYS X 92 81.110 9.785 -17.077 1.00 1.00 C ATOM 1533 CG LYS X 92 82.394 10.614 -17.144 1.00 1.00 C ATOM 1534 CD LYS X 92 83.373 9.961 -18.122 1.00 1.00 C ATOM 1535 CE LYS X 92 84.656 10.792 -18.192 1.00 1.00 C ATOM 1536 NZ LYS X 92 85.601 10.166 -19.157 1.00 1.00 N ATOM 0 H LYS X 92 81.525 9.660 -14.624 1.00 1.00 H new ATOM 0 HA LYS X 92 80.042 11.478 -16.281 1.00 1.00 H new ATOM 0 HB2 LYS X 92 81.341 8.761 -16.785 1.00 1.00 H new ATOM 0 HB3 LYS X 92 80.643 9.738 -18.061 1.00 1.00 H new ATOM 0 HG2 LYS X 92 82.167 11.631 -17.465 1.00 1.00 H new ATOM 0 HG3 LYS X 92 82.845 10.685 -16.154 1.00 1.00 H new ATOM 0 HD2 LYS X 92 83.602 8.945 -17.800 1.00 1.00 H new ATOM 0 HD3 LYS X 92 82.921 9.887 -19.111 1.00 1.00 H new ATOM 0 HE2 LYS X 92 84.425 11.811 -18.502 1.00 1.00 H new ATOM 0 HE3 LYS X 92 85.115 10.855 -17.206 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 86.473 10.731 -19.205 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 85.830 9.201 -18.843 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 85.161 10.128 -20.099 1.00 1.00 H new ATOM 1550 N LYS X 93 78.632 8.577 -15.596 1.00 1.00 N ATOM 1551 CA LYS X 93 77.321 7.872 -15.656 1.00 1.00 C ATOM 1552 C LYS X 93 76.348 8.516 -14.666 1.00 1.00 C ATOM 1553 O LYS X 93 76.711 8.857 -13.558 1.00 1.00 O ATOM 1554 CB LYS X 93 77.516 6.398 -15.296 1.00 1.00 C ATOM 1555 CG LYS X 93 78.307 5.700 -16.403 1.00 1.00 C ATOM 1556 CD LYS X 93 78.522 4.232 -16.030 1.00 1.00 C ATOM 1557 CE LYS X 93 79.197 3.503 -17.193 1.00 1.00 C ATOM 1558 NZ LYS X 93 79.391 2.070 -16.835 1.00 1.00 N ATOM 0 H LYS X 93 79.364 8.088 -15.081 1.00 1.00 H new ATOM 0 HA LYS X 93 76.915 7.948 -16.665 1.00 1.00 H new ATOM 0 HB2 LYS X 93 78.045 6.312 -14.347 1.00 1.00 H new ATOM 0 HB3 LYS X 93 76.548 5.914 -15.166 1.00 1.00 H new ATOM 0 HG2 LYS X 93 77.769 5.771 -17.349 1.00 1.00 H new ATOM 0 HG3 LYS X 93 79.268 6.195 -16.545 1.00 1.00 H new ATOM 0 HD2 LYS X 93 79.139 4.160 -15.135 1.00 1.00 H new ATOM 0 HD3 LYS X 93 77.567 3.761 -15.797 1.00 1.00 H new ATOM 0 HE2 LYS X 93 78.585 3.585 -18.092 1.00 1.00 H new ATOM 0 HE3 LYS X 93 80.158 3.966 -17.418 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 79.850 1.574 -17.625 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 79.991 2.002 -15.988 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 78.468 1.633 -16.641 1.00 1.00 H new ATOM 1572 N GLU X 94 75.114 8.684 -15.057 1.00 1.00 N ATOM 1573 CA GLU X 94 74.118 9.304 -14.138 1.00 1.00 C ATOM 1574 C GLU X 94 73.389 8.208 -13.359 1.00 1.00 C ATOM 1575 O GLU X 94 72.406 7.658 -13.815 1.00 1.00 O ATOM 1576 CB GLU X 94 73.106 10.110 -14.955 1.00 1.00 C ATOM 1577 CG GLU X 94 73.826 11.241 -15.690 1.00 1.00 C ATOM 1578 CD GLU X 94 74.368 12.248 -14.674 1.00 1.00 C ATOM 1579 OE1 GLU X 94 73.863 12.269 -13.563 1.00 1.00 O ATOM 1580 OE2 GLU X 94 75.278 12.981 -15.023 1.00 1.00 O ATOM 0 H GLU X 94 74.753 8.419 -15.973 1.00 1.00 H new ATOM 0 HA GLU X 94 74.630 9.965 -13.439 1.00 1.00 H new ATOM 0 HB2 GLU X 94 72.601 9.461 -15.671 1.00 1.00 H new ATOM 0 HB3 GLU X 94 72.338 10.520 -14.299 1.00 1.00 H new ATOM 0 HG2 GLU X 94 74.643 10.838 -16.289 1.00 1.00 H new ATOM 0 HG3 GLU X 94 73.141 11.736 -16.378 1.00 1.00 H new ATOM 1587 N VAL X 95 73.861 7.887 -12.185 1.00 1.00 N ATOM 1588 CA VAL X 95 73.195 6.826 -11.378 1.00 1.00 C ATOM 1589 C VAL X 95 72.825 7.385 -10.002 1.00 1.00 C ATOM 1590 O VAL X 95 72.494 8.546 -9.862 1.00 1.00 O ATOM 1591 CB VAL X 95 74.149 5.643 -11.208 1.00 1.00 C ATOM 1592 CG1 VAL X 95 75.278 6.031 -10.252 1.00 1.00 C ATOM 1593 CG2 VAL X 95 73.381 4.451 -10.631 1.00 1.00 C ATOM 0 H VAL X 95 74.679 8.314 -11.750 1.00 1.00 H new ATOM 0 HA VAL X 95 72.291 6.495 -11.889 1.00 1.00 H new ATOM 0 HB VAL X 95 74.570 5.373 -12.176 1.00 1.00 H new ATOM 0 HG11 VAL X 95 75.958 5.188 -10.131 1.00 1.00 H new ATOM 0 HG12 VAL X 95 75.824 6.882 -10.660 1.00 1.00 H new ATOM 0 HG13 VAL X 95 74.858 6.300 -9.283 1.00 1.00 H new ATOM 0 HG21 VAL X 95 74.059 3.606 -10.509 1.00 1.00 H new ATOM 0 HG22 VAL X 95 72.962 4.723 -9.662 1.00 1.00 H new ATOM 0 HG23 VAL X 95 72.575 4.174 -11.311 1.00 1.00 H new ATOM 1603 N ASN X 96 72.878 6.569 -8.986 1.00 1.00 N ATOM 1604 CA ASN X 96 72.534 7.055 -7.620 1.00 1.00 C ATOM 1605 C ASN X 96 73.694 6.766 -6.665 1.00 1.00 C ATOM 1606 O ASN X 96 73.684 5.790 -5.939 1.00 1.00 O ATOM 1607 CB ASN X 96 71.275 6.339 -7.124 1.00 1.00 C ATOM 1608 CG ASN X 96 70.807 6.977 -5.815 1.00 1.00 C ATOM 1609 OD1 ASN X 96 71.473 6.876 -4.804 1.00 1.00 O ATOM 1610 ND2 ASN X 96 69.679 7.634 -5.790 1.00 1.00 N ATOM 0 H ASN X 96 73.145 5.586 -9.042 1.00 1.00 H new ATOM 0 HA ASN X 96 72.352 8.129 -7.654 1.00 1.00 H new ATOM 0 HB2 ASN X 96 70.487 6.404 -7.875 1.00 1.00 H new ATOM 0 HB3 ASN X 96 71.483 5.280 -6.971 1.00 1.00 H new ATOM 0 HD21 ASN X 96 69.357 8.062 -4.922 1.00 1.00 H new ATOM 0 HD22 ASN X 96 69.119 7.719 -6.639 1.00 1.00 H new ATOM 1617 N PRO X 97 74.688 7.612 -6.671 1.00 1.00 N ATOM 1618 CA PRO X 97 75.886 7.457 -5.798 1.00 1.00 C ATOM 1619 C PRO X 97 75.660 8.025 -4.393 1.00 1.00 C ATOM 1620 O PRO X 97 76.066 7.445 -3.407 1.00 1.00 O ATOM 1621 CB PRO X 97 76.968 8.254 -6.528 1.00 1.00 C ATOM 1622 CG PRO X 97 76.233 9.285 -7.319 1.00 1.00 C ATOM 1623 CD PRO X 97 74.776 8.813 -7.515 1.00 1.00 C ATOM 0 HA PRO X 97 76.143 6.409 -5.644 1.00 1.00 H new ATOM 0 HB2 PRO X 97 77.658 8.718 -5.823 1.00 1.00 H new ATOM 0 HB3 PRO X 97 77.561 7.609 -7.177 1.00 1.00 H new ATOM 0 HG2 PRO X 97 76.253 10.244 -6.801 1.00 1.00 H new ATOM 0 HG3 PRO X 97 76.715 9.434 -8.285 1.00 1.00 H new ATOM 0 HD2 PRO X 97 74.062 9.575 -7.204 1.00 1.00 H new ATOM 0 HD3 PRO X 97 74.565 8.586 -8.560 1.00 1.00 H new ATOM 1631 N GLN X 98 75.013 9.155 -4.296 1.00 1.00 N ATOM 1632 CA GLN X 98 74.756 9.752 -2.955 1.00 1.00 C ATOM 1633 C GLN X 98 73.299 9.506 -2.559 1.00 1.00 C ATOM 1634 O GLN X 98 72.506 9.019 -3.341 1.00 1.00 O ATOM 1635 CB GLN X 98 75.024 11.258 -3.009 1.00 1.00 C ATOM 1636 CG GLN X 98 76.524 11.506 -3.185 1.00 1.00 C ATOM 1637 CD GLN X 98 76.803 13.009 -3.146 1.00 1.00 C ATOM 1638 OE1 GLN X 98 75.918 13.797 -2.880 1.00 1.00 O ATOM 1639 NE2 GLN X 98 78.006 13.444 -3.403 1.00 1.00 N ATOM 0 H GLN X 98 74.652 9.689 -5.086 1.00 1.00 H new ATOM 0 HA GLN X 98 75.415 9.292 -2.218 1.00 1.00 H new ATOM 0 HB2 GLN X 98 74.472 11.707 -3.835 1.00 1.00 H new ATOM 0 HB3 GLN X 98 74.671 11.734 -2.094 1.00 1.00 H new ATOM 0 HG2 GLN X 98 77.081 11.002 -2.396 1.00 1.00 H new ATOM 0 HG3 GLN X 98 76.863 11.087 -4.132 1.00 1.00 H new ATOM 0 HE21 GLN X 98 78.750 12.783 -3.627 1.00 1.00 H new ATOM 0 HE22 GLN X 98 78.202 14.445 -3.380 1.00 1.00 H new ATOM 1648 N VAL X 99 72.940 9.839 -1.349 1.00 1.00 N ATOM 1649 CA VAL X 99 71.533 9.628 -0.903 1.00 1.00 C ATOM 1650 C VAL X 99 70.646 10.739 -1.466 1.00 1.00 C ATOM 1651 O VAL X 99 70.299 11.678 -0.776 1.00 1.00 O ATOM 1652 CB VAL X 99 71.473 9.650 0.625 1.00 1.00 C ATOM 1653 CG1 VAL X 99 70.022 9.500 1.082 1.00 1.00 C ATOM 1654 CG2 VAL X 99 72.305 8.493 1.185 1.00 1.00 C ATOM 0 H VAL X 99 73.560 10.248 -0.650 1.00 1.00 H new ATOM 0 HA VAL X 99 71.178 8.663 -1.266 1.00 1.00 H new ATOM 0 HB VAL X 99 71.873 10.596 0.990 1.00 1.00 H new ATOM 0 HG11 VAL X 99 69.980 9.516 2.171 1.00 1.00 H new ATOM 0 HG12 VAL X 99 69.428 10.323 0.684 1.00 1.00 H new ATOM 0 HG13 VAL X 99 69.622 8.554 0.717 1.00 1.00 H new ATOM 0 HG21 VAL X 99 72.263 8.508 2.274 1.00 1.00 H new ATOM 0 HG22 VAL X 99 71.905 7.547 0.819 1.00 1.00 H new ATOM 0 HG23 VAL X 99 73.340 8.599 0.861 1.00 1.00 H new ATOM 1664 N MET X 100 70.275 10.643 -2.713 1.00 1.00 N ATOM 1665 CA MET X 100 69.406 11.693 -3.313 1.00 1.00 C ATOM 1666 C MET X 100 68.569 11.079 -4.439 1.00 1.00 C ATOM 1667 O MET X 100 69.055 10.159 -5.077 1.00 1.00 O ATOM 1668 CB MET X 100 70.278 12.814 -3.880 1.00 1.00 C ATOM 1669 CG MET X 100 69.386 13.960 -4.362 1.00 1.00 C ATOM 1670 SD MET X 100 70.423 15.314 -4.969 1.00 1.00 S ATOM 1671 CE MET X 100 71.091 14.458 -6.416 1.00 1.00 C ATOM 1672 OXT MET X 100 67.458 11.540 -4.643 1.00 1.00 O ATOM 0 H MET X 100 70.536 9.883 -3.342 1.00 1.00 H new ATOM 0 HA MET X 100 68.745 12.099 -2.547 1.00 1.00 H new ATOM 0 HB2 MET X 100 70.969 13.173 -3.117 1.00 1.00 H new ATOM 0 HB3 MET X 100 70.882 12.437 -4.705 1.00 1.00 H new ATOM 0 HG2 MET X 100 68.723 13.611 -5.154 1.00 1.00 H new ATOM 0 HG3 MET X 100 68.752 14.310 -3.547 1.00 1.00 H new ATOM 0 HE1 MET X 100 71.089 15.134 -7.271 1.00 1.00 H new ATOM 0 HE2 MET X 100 72.112 14.136 -6.209 1.00 1.00 H new ATOM 0 HE3 MET X 100 70.475 13.587 -6.640 1.00 1.00 H new TER 1682 MET X 100