USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 HIS : no HE2:sc= -0.884 X(o=-0.88,f=-1.3) USER MOD Set 1.2: A 84 THR OG1 : rot -130:sc= 0 USER MOD Set 2.1: A 58 GLN : amide:sc= -0.0353 K(o=0.12,f=-1!) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 13 ASN : amide:sc=-0.00454 K(o=-0.0045,f=-0.81) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= -8.9! C(o=-8.9!,f=-10!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 36 THR OG1 : rot 100:sc= -0.419 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0295 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 116:sc= 0.0618 USER MOD Single : A 50 SER OG : rot 180:sc=-0.00354 USER MOD Single : A 52 SER OG : rot 37:sc= 0.943 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.306 K(o=-0.31,f=-0.81) USER MOD Single : A 73 ASN : amide:sc= -8.16! C(o=-8.2!,f=-5.5!) USER MOD Single : A 74 THR OG1 : rot 63:sc= 0.918 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 92 SER OG : rot 180:sc= 0.102 USER MOD Single : A 94 SER OG : rot 170:sc= -0.323 USER MOD Single : A 95 LYS NZ :NH3+ -157:sc= 0.0427 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 179:sc= 1.86 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 5.831 14.084 -3.401 1.00 0.00 N ATOM 67 CA PRO A 8 5.149 14.114 -2.104 1.00 0.00 C ATOM 68 C PRO A 8 3.684 13.704 -2.209 1.00 0.00 C ATOM 69 O PRO A 8 3.075 13.285 -1.225 1.00 0.00 O ATOM 70 CB PRO A 8 5.264 15.580 -1.677 1.00 0.00 C ATOM 71 CG PRO A 8 5.405 16.336 -2.952 1.00 0.00 C ATOM 72 CD PRO A 8 6.162 15.434 -3.887 1.00 0.00 C ATOM 0 HA PRO A 8 5.590 13.413 -1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.383 15.901 -1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.125 15.737 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.429 16.593 -3.363 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.941 17.272 -2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.851 15.576 -4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.235 15.624 -3.848 1.00 0.00 H new ATOM 80 N ASP A 9 3.126 13.826 -3.408 1.00 0.00 N ATOM 81 CA ASP A 9 1.732 13.466 -3.643 1.00 0.00 C ATOM 82 C ASP A 9 1.383 12.159 -2.938 1.00 0.00 C ATOM 83 O ASP A 9 0.334 12.045 -2.305 1.00 0.00 O ATOM 84 CB ASP A 9 1.461 13.338 -5.143 1.00 0.00 C ATOM 85 CG ASP A 9 2.275 14.320 -5.963 1.00 0.00 C ATOM 86 OD1 ASP A 9 1.788 15.447 -6.193 1.00 0.00 O ATOM 87 OD2 ASP A 9 3.398 13.962 -6.376 1.00 0.00 O ATOM 0 H ASP A 9 3.617 14.171 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 9 1.104 14.258 -3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.690 12.322 -5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.400 13.502 -5.333 1.00 0.00 H new ATOM 92 N ALA A 10 2.269 11.175 -3.053 1.00 0.00 N ATOM 93 CA ALA A 10 2.054 9.877 -2.426 1.00 0.00 C ATOM 94 C ALA A 10 2.263 9.954 -0.917 1.00 0.00 C ATOM 95 O ALA A 10 3.012 10.791 -0.412 1.00 0.00 O ATOM 96 CB ALA A 10 2.982 8.836 -3.036 1.00 0.00 C ATOM 0 H ALA A 10 3.142 11.252 -3.575 1.00 0.00 H new ATOM 0 HA ALA A 10 1.021 9.580 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.811 7.871 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.783 8.752 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.018 9.138 -2.883 1.00 0.00 H new ATOM 102 N PRO A 11 1.585 9.063 -0.179 1.00 0.00 N ATOM 103 CA PRO A 11 1.680 9.011 1.283 1.00 0.00 C ATOM 104 C PRO A 11 3.042 8.516 1.758 1.00 0.00 C ATOM 105 O PRO A 11 3.926 8.232 0.950 1.00 0.00 O ATOM 106 CB PRO A 11 0.584 8.017 1.674 1.00 0.00 C ATOM 107 CG PRO A 11 0.409 7.153 0.473 1.00 0.00 C ATOM 108 CD PRO A 11 0.675 8.037 -0.714 1.00 0.00 C ATOM 0 HA PRO A 11 1.562 9.996 1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.875 7.430 2.545 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.343 8.530 1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.100 6.310 0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.598 6.739 0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.132 7.482 -1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.244 8.477 -1.101 1.00 0.00 H new ATOM 116 N ARG A 12 3.204 8.415 3.073 1.00 0.00 N ATOM 117 CA ARG A 12 4.459 7.955 3.656 1.00 0.00 C ATOM 118 C ARG A 12 4.207 7.164 4.935 1.00 0.00 C ATOM 119 O ARG A 12 3.061 6.957 5.333 1.00 0.00 O ATOM 120 CB ARG A 12 5.375 9.144 3.951 1.00 0.00 C ATOM 121 CG ARG A 12 5.251 10.274 2.942 1.00 0.00 C ATOM 122 CD ARG A 12 5.867 11.561 3.468 1.00 0.00 C ATOM 123 NE ARG A 12 7.280 11.395 3.801 1.00 0.00 N ATOM 124 CZ ARG A 12 7.970 12.265 4.530 1.00 0.00 C ATOM 125 NH1 ARG A 12 7.381 13.356 4.999 1.00 0.00 N ATOM 126 NH2 ARG A 12 9.252 12.043 4.791 1.00 0.00 N ATOM 0 H ARG A 12 2.482 8.646 3.755 1.00 0.00 H new ATOM 0 HA ARG A 12 4.947 7.300 2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.147 9.529 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.409 8.799 3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.742 9.988 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.199 10.441 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.761 12.346 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.322 11.889 4.353 1.00 0.00 H new ATOM 0 HE ARG A 12 7.763 10.566 3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.396 13.529 4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.913 14.022 5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.708 11.204 4.432 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.782 12.711 5.351 1.00 0.00 H new ATOM 140 N ASN A 13 5.285 6.723 5.575 1.00 0.00 N ATOM 141 CA ASN A 13 5.181 5.953 6.809 1.00 0.00 C ATOM 142 C ASN A 13 4.248 4.758 6.628 1.00 0.00 C ATOM 143 O ASN A 13 3.301 4.575 7.393 1.00 0.00 O ATOM 144 CB ASN A 13 4.675 6.841 7.947 1.00 0.00 C ATOM 145 CG ASN A 13 5.795 7.606 8.625 1.00 0.00 C ATOM 146 OD1 ASN A 13 6.884 7.754 8.071 1.00 0.00 O ATOM 147 ND2 ASN A 13 5.532 8.096 9.831 1.00 0.00 N ATOM 0 H ASN A 13 6.241 6.886 5.259 1.00 0.00 H new ATOM 0 HA ASN A 13 6.174 5.581 7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.942 7.546 7.555 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.161 6.224 8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.247 8.619 10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.615 7.949 10.252 1.00 0.00 H new ATOM 154 N LEU A 14 4.524 3.949 5.611 1.00 0.00 N ATOM 155 CA LEU A 14 3.711 2.771 5.329 1.00 0.00 C ATOM 156 C LEU A 14 4.062 1.627 6.275 1.00 0.00 C ATOM 157 O LEU A 14 5.092 0.972 6.115 1.00 0.00 O ATOM 158 CB LEU A 14 3.907 2.327 3.879 1.00 0.00 C ATOM 159 CG LEU A 14 3.137 1.078 3.449 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.649 1.375 3.353 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.665 0.556 2.121 1.00 0.00 C ATOM 0 H LEU A 14 5.304 4.087 4.968 1.00 0.00 H new ATOM 0 HA LEU A 14 2.665 3.037 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.618 3.150 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.970 2.148 3.715 1.00 0.00 H new ATOM 0 HG LEU A 14 3.285 0.306 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.117 0.474 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.279 1.701 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.482 2.163 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.105 -0.333 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.549 1.324 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.720 0.303 2.223 1.00 0.00 H new ATOM 173 N GLN A 15 3.199 1.392 7.258 1.00 0.00 N ATOM 174 CA GLN A 15 3.418 0.326 8.228 1.00 0.00 C ATOM 175 C GLN A 15 2.264 -0.671 8.211 1.00 0.00 C ATOM 176 O GLN A 15 1.149 -0.353 8.628 1.00 0.00 O ATOM 177 CB GLN A 15 3.582 0.912 9.632 1.00 0.00 C ATOM 178 CG GLN A 15 5.008 1.328 9.956 1.00 0.00 C ATOM 179 CD GLN A 15 5.209 1.624 11.429 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.479 2.421 12.019 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.204 0.983 12.031 1.00 0.00 N ATOM 0 H GLN A 15 2.342 1.925 7.404 1.00 0.00 H new ATOM 0 HA GLN A 15 4.332 -0.200 7.953 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.928 1.778 9.734 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.252 0.176 10.365 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.692 0.535 9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.266 2.212 9.373 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.784 0.331 11.503 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.388 1.143 13.021 1.00 0.00 H new ATOM 190 N LEU A 16 2.539 -1.877 7.728 1.00 0.00 N ATOM 191 CA LEU A 16 1.524 -2.922 7.656 1.00 0.00 C ATOM 192 C LEU A 16 1.472 -3.721 8.955 1.00 0.00 C ATOM 193 O LEU A 16 2.503 -4.152 9.471 1.00 0.00 O ATOM 194 CB LEU A 16 1.808 -3.857 6.480 1.00 0.00 C ATOM 195 CG LEU A 16 2.140 -3.180 5.149 1.00 0.00 C ATOM 196 CD1 LEU A 16 1.307 -1.921 4.969 1.00 0.00 C ATOM 197 CD2 LEU A 16 3.624 -2.856 5.071 1.00 0.00 C ATOM 0 H LEU A 16 3.456 -2.156 7.380 1.00 0.00 H new ATOM 0 HA LEU A 16 0.556 -2.444 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.640 -4.507 6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.938 -4.497 6.332 1.00 0.00 H new ATOM 0 HG LEU A 16 1.897 -3.870 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.557 -1.453 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.248 -2.181 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.518 -1.226 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.842 -2.375 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.893 -2.184 5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.202 -3.776 5.153 1.00 0.00 H new ATOM 209 N SER A 17 0.265 -3.917 9.476 1.00 0.00 N ATOM 210 CA SER A 17 0.078 -4.663 10.715 1.00 0.00 C ATOM 211 C SER A 17 -0.957 -5.769 10.532 1.00 0.00 C ATOM 212 O SER A 17 -1.514 -5.941 9.447 1.00 0.00 O ATOM 213 CB SER A 17 -0.356 -3.722 11.840 1.00 0.00 C ATOM 214 OG SER A 17 0.211 -2.434 11.677 1.00 0.00 O ATOM 0 H SER A 17 -0.599 -3.569 9.059 1.00 0.00 H new ATOM 0 HA SER A 17 1.030 -5.122 10.982 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.443 -3.645 11.854 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.053 -4.137 12.802 1.00 0.00 H new ATOM 0 HG SER A 17 -0.084 -1.852 12.408 1.00 0.00 H new ATOM 220 N LEU A 18 -1.209 -6.516 11.601 1.00 0.00 N ATOM 221 CA LEU A 18 -2.177 -7.606 11.561 1.00 0.00 C ATOM 222 C LEU A 18 -3.070 -7.587 12.797 1.00 0.00 C ATOM 223 O LEU A 18 -2.609 -7.405 13.924 1.00 0.00 O ATOM 224 CB LEU A 18 -1.456 -8.952 11.460 1.00 0.00 C ATOM 225 CG LEU A 18 -0.559 -9.142 10.237 1.00 0.00 C ATOM 226 CD1 LEU A 18 0.589 -10.088 10.558 1.00 0.00 C ATOM 227 CD2 LEU A 18 -1.368 -9.663 9.058 1.00 0.00 C ATOM 0 H LEU A 18 -0.756 -6.387 12.506 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.804 -7.469 10.680 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.849 -9.084 12.355 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.205 -9.744 11.463 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.139 -8.174 9.964 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.217 -10.211 9.675 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.184 -9.675 11.372 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.189 -11.057 10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.713 -9.792 8.196 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.817 -10.621 9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.154 -8.949 8.812 1.00 0.00 H new ATOM 239 N PRO A 19 -4.380 -7.781 12.584 1.00 0.00 N ATOM 240 CA PRO A 19 -5.366 -7.794 13.669 1.00 0.00 C ATOM 241 C PRO A 19 -5.229 -9.021 14.563 1.00 0.00 C ATOM 242 O PRO A 19 -5.184 -10.152 14.078 1.00 0.00 O ATOM 243 CB PRO A 19 -6.706 -7.816 12.931 1.00 0.00 C ATOM 244 CG PRO A 19 -6.401 -8.433 11.610 1.00 0.00 C ATOM 245 CD PRO A 19 -5.000 -8.005 11.267 1.00 0.00 C ATOM 0 HA PRO A 19 -5.247 -6.942 14.338 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.449 -8.397 13.477 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.110 -6.810 12.814 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.476 -9.519 11.660 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.108 -8.099 10.851 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.473 -8.772 10.700 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.994 -7.099 10.660 1.00 0.00 H new ATOM 253 N ARG A 20 -5.164 -8.792 15.870 1.00 0.00 N ATOM 254 CA ARG A 20 -5.031 -9.880 16.832 1.00 0.00 C ATOM 255 C ARG A 20 -6.354 -10.623 16.997 1.00 0.00 C ATOM 256 O ARG A 20 -6.443 -11.588 17.756 1.00 0.00 O ATOM 257 CB ARG A 20 -4.564 -9.340 18.185 1.00 0.00 C ATOM 258 CG ARG A 20 -5.540 -8.363 18.820 1.00 0.00 C ATOM 259 CD ARG A 20 -4.890 -7.583 19.952 1.00 0.00 C ATOM 260 NE ARG A 20 -4.890 -8.333 21.205 1.00 0.00 N ATOM 261 CZ ARG A 20 -4.445 -7.842 22.356 1.00 0.00 C ATOM 262 NH1 ARG A 20 -3.967 -6.607 22.412 1.00 0.00 N ATOM 263 NH2 ARG A 20 -4.479 -8.587 23.454 1.00 0.00 N ATOM 0 H ARG A 20 -5.201 -7.862 16.288 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.286 -10.579 16.452 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.406 -10.177 18.866 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.601 -8.847 18.057 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.907 -7.670 18.063 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.405 -8.906 19.201 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.865 -7.334 19.679 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.420 -6.641 20.094 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.252 -9.287 21.196 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.940 -6.032 21.570 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.626 -6.232 23.297 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.847 -9.537 23.414 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.137 -8.209 24.338 1.00 0.00 H new ATOM 277 N GLU A 21 -7.377 -10.166 16.283 1.00 0.00 N ATOM 278 CA GLU A 21 -8.695 -10.787 16.352 1.00 0.00 C ATOM 279 C GLU A 21 -9.184 -11.181 14.962 1.00 0.00 C ATOM 280 O GLU A 21 -10.369 -11.446 14.762 1.00 0.00 O ATOM 281 CB GLU A 21 -9.697 -9.835 17.007 1.00 0.00 C ATOM 282 CG GLU A 21 -9.744 -9.948 18.522 1.00 0.00 C ATOM 283 CD GLU A 21 -10.634 -8.897 19.158 1.00 0.00 C ATOM 284 OE1 GLU A 21 -10.782 -7.807 18.568 1.00 0.00 O ATOM 285 OE2 GLU A 21 -11.183 -9.167 20.247 1.00 0.00 O ATOM 0 H GLU A 21 -7.319 -9.368 15.650 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.613 -11.689 16.958 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.443 -8.810 16.735 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.691 -10.034 16.605 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.104 -10.939 18.798 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.734 -9.854 18.921 1.00 0.00 H new ATOM 292 N ALA A 22 -8.263 -11.217 14.005 1.00 0.00 N ATOM 293 CA ALA A 22 -8.600 -11.580 12.634 1.00 0.00 C ATOM 294 C ALA A 22 -7.388 -12.147 11.903 1.00 0.00 C ATOM 295 O ALA A 22 -6.269 -11.663 12.070 1.00 0.00 O ATOM 296 CB ALA A 22 -9.152 -10.374 11.889 1.00 0.00 C ATOM 0 H ALA A 22 -7.278 -10.999 14.154 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.367 -12.354 12.667 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.399 -10.660 10.867 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.049 -10.015 12.393 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.403 -9.582 11.873 1.00 0.00 H new ATOM 302 N GLU A 23 -7.619 -13.175 11.092 1.00 0.00 N ATOM 303 CA GLU A 23 -6.544 -13.807 10.336 1.00 0.00 C ATOM 304 C GLU A 23 -6.621 -13.430 8.860 1.00 0.00 C ATOM 305 O GLU A 23 -7.554 -12.753 8.429 1.00 0.00 O ATOM 306 CB GLU A 23 -6.610 -15.328 10.489 1.00 0.00 C ATOM 307 CG GLU A 23 -8.027 -15.875 10.532 1.00 0.00 C ATOM 308 CD GLU A 23 -8.785 -15.635 9.241 1.00 0.00 C ATOM 309 OE1 GLU A 23 -8.411 -16.239 8.214 1.00 0.00 O ATOM 310 OE2 GLU A 23 -9.750 -14.843 9.258 1.00 0.00 O ATOM 0 H GLU A 23 -8.540 -13.587 10.942 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.595 -13.449 10.735 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.076 -15.792 9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.091 -15.616 11.403 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.993 -16.945 10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.567 -15.411 11.357 1.00 0.00 H new ATOM 317 N GLY A 24 -5.632 -13.873 8.089 1.00 0.00 N ATOM 318 CA GLY A 24 -5.606 -13.571 6.670 1.00 0.00 C ATOM 319 C GLY A 24 -5.955 -12.125 6.377 1.00 0.00 C ATOM 320 O GLY A 24 -6.392 -11.795 5.275 1.00 0.00 O ATOM 0 H GLY A 24 -4.849 -14.435 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.614 -13.789 6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.308 -14.223 6.150 1.00 0.00 H new ATOM 324 N VAL A 25 -5.764 -11.260 7.368 1.00 0.00 N ATOM 325 CA VAL A 25 -6.063 -9.842 7.213 1.00 0.00 C ATOM 326 C VAL A 25 -4.845 -8.985 7.541 1.00 0.00 C ATOM 327 O VAL A 25 -4.143 -9.236 8.521 1.00 0.00 O ATOM 328 CB VAL A 25 -7.236 -9.413 8.113 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.314 -7.896 8.203 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.544 -9.993 7.596 1.00 0.00 C ATOM 0 H VAL A 25 -5.403 -11.517 8.287 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.341 -9.690 6.170 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.063 -9.804 9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.149 -7.612 8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.386 -7.508 8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.463 -7.480 7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.362 -9.680 8.244 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.726 -9.634 6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.482 -11.081 7.590 1.00 0.00 H new ATOM 340 N ILE A 26 -4.601 -7.973 6.715 1.00 0.00 N ATOM 341 CA ILE A 26 -3.469 -7.077 6.918 1.00 0.00 C ATOM 342 C ILE A 26 -3.927 -5.627 7.024 1.00 0.00 C ATOM 343 O ILE A 26 -4.531 -5.086 6.098 1.00 0.00 O ATOM 344 CB ILE A 26 -2.443 -7.198 5.776 1.00 0.00 C ATOM 345 CG1 ILE A 26 -1.998 -8.653 5.613 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.246 -6.298 6.041 1.00 0.00 C ATOM 347 CD1 ILE A 26 -1.190 -8.900 4.358 1.00 0.00 C ATOM 0 H ILE A 26 -5.172 -7.753 5.899 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.995 -7.375 7.854 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.915 -6.876 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.405 -8.943 6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.879 -9.295 5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.530 -6.395 5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.578 -5.262 6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.771 -6.591 6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.909 -9.952 4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.788 -8.642 3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.291 -8.284 4.377 1.00 0.00 H new ATOM 359 N VAL A 27 -3.634 -5.001 8.160 1.00 0.00 N ATOM 360 CA VAL A 27 -4.013 -3.611 8.386 1.00 0.00 C ATOM 361 C VAL A 27 -2.903 -2.661 7.952 1.00 0.00 C ATOM 362 O VAL A 27 -1.931 -2.453 8.676 1.00 0.00 O ATOM 363 CB VAL A 27 -4.344 -3.354 9.869 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.735 -1.900 10.084 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.450 -4.287 10.337 1.00 0.00 C ATOM 0 H VAL A 27 -3.136 -5.434 8.937 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.903 -3.423 7.785 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.453 -3.557 10.463 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.965 -1.737 11.137 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.908 -1.254 9.789 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.612 -1.666 9.480 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.671 -4.092 11.386 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.346 -4.117 9.740 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.127 -5.321 10.221 1.00 0.00 H new ATOM 375 N GLY A 28 -3.055 -2.086 6.763 1.00 0.00 N ATOM 376 CA GLY A 28 -2.058 -1.163 6.252 1.00 0.00 C ATOM 377 C GLY A 28 -2.302 0.263 6.704 1.00 0.00 C ATOM 378 O GLY A 28 -3.425 0.762 6.632 1.00 0.00 O ATOM 0 H GLY A 28 -3.851 -2.243 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.069 -1.481 6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.057 -1.200 5.163 1.00 0.00 H new ATOM 382 N HIS A 29 -1.247 0.921 7.174 1.00 0.00 N ATOM 383 CA HIS A 29 -1.352 2.299 7.642 1.00 0.00 C ATOM 384 C HIS A 29 -0.331 3.190 6.940 1.00 0.00 C ATOM 385 O HIS A 29 0.734 2.727 6.531 1.00 0.00 O ATOM 386 CB HIS A 29 -1.146 2.363 9.156 1.00 0.00 C ATOM 387 CG HIS A 29 -2.343 1.922 9.942 1.00 0.00 C ATOM 388 ND1 HIS A 29 -2.906 2.683 10.944 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.085 0.793 9.866 1.00 0.00 C ATOM 390 CE1 HIS A 29 -3.941 2.040 11.453 1.00 0.00 C ATOM 391 NE2 HIS A 29 -4.072 0.890 10.816 1.00 0.00 N ATOM 0 H HIS A 29 -0.310 0.523 7.241 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.351 2.663 7.403 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.294 1.738 9.425 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.893 3.385 9.437 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.575 3.600 11.245 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -2.930 -0.031 9.185 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.573 2.394 12.254 1.00 0.00 H new ATOM 399 N TRP A 30 -0.664 4.468 6.804 1.00 0.00 N ATOM 400 CA TRP A 30 0.224 5.423 6.150 1.00 0.00 C ATOM 401 C TRP A 30 -0.036 6.839 6.653 1.00 0.00 C ATOM 402 O TRP A 30 -0.874 7.053 7.528 1.00 0.00 O ATOM 403 CB TRP A 30 0.040 5.366 4.633 1.00 0.00 C ATOM 404 CG TRP A 30 -1.391 5.479 4.203 1.00 0.00 C ATOM 405 CD1 TRP A 30 -2.049 6.618 3.836 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.342 4.414 4.098 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.351 6.325 3.509 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.555 4.979 3.661 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.285 3.037 4.329 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.700 4.214 3.452 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.422 2.279 4.122 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.616 2.869 3.686 1.00 0.00 C ATOM 0 H TRP A 30 -1.541 4.867 7.137 1.00 0.00 H new ATOM 0 HA TRP A 30 1.251 5.153 6.394 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.614 6.171 4.174 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.451 4.428 4.259 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.610 7.604 3.807 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.052 7.000 3.203 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.369 2.573 4.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.622 4.667 3.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.390 1.214 4.299 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.487 2.249 3.532 1.00 0.00 H new ATOM 423 N ALA A 31 0.688 7.803 6.094 1.00 0.00 N ATOM 424 CA ALA A 31 0.534 9.199 6.484 1.00 0.00 C ATOM 425 C ALA A 31 0.156 10.065 5.288 1.00 0.00 C ATOM 426 O ALA A 31 0.316 9.673 4.132 1.00 0.00 O ATOM 427 CB ALA A 31 1.815 9.712 7.126 1.00 0.00 C ATOM 0 H ALA A 31 1.387 7.643 5.369 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.274 9.260 7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.686 10.756 7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.041 9.118 8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.637 9.630 6.415 1.00 0.00 H new ATOM 433 N PRO A 32 -0.358 11.272 5.569 1.00 0.00 N ATOM 434 CA PRO A 32 -0.770 12.219 4.528 1.00 0.00 C ATOM 435 C PRO A 32 0.418 12.794 3.765 1.00 0.00 C ATOM 436 O PRO A 32 1.496 13.013 4.320 1.00 0.00 O ATOM 437 CB PRO A 32 -1.485 13.320 5.314 1.00 0.00 C ATOM 438 CG PRO A 32 -0.897 13.254 6.681 1.00 0.00 C ATOM 439 CD PRO A 32 -0.577 11.805 6.924 1.00 0.00 C ATOM 0 HA PRO A 32 -1.393 11.746 3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.324 14.298 4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.562 13.153 5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.000 13.869 6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.598 13.629 7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.308 11.688 7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.395 11.292 7.430 1.00 0.00 H new ATOM 447 N PRO A 33 0.220 13.047 2.463 1.00 0.00 N ATOM 448 CA PRO A 33 1.265 13.601 1.596 1.00 0.00 C ATOM 449 C PRO A 33 1.583 15.055 1.930 1.00 0.00 C ATOM 450 O PRO A 33 0.704 15.815 2.338 1.00 0.00 O ATOM 451 CB PRO A 33 0.656 13.495 0.196 1.00 0.00 C ATOM 452 CG PRO A 33 -0.816 13.503 0.420 1.00 0.00 C ATOM 453 CD PRO A 33 -1.038 12.810 1.736 1.00 0.00 C ATOM 0 HA PRO A 33 2.211 13.070 1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.965 14.329 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.975 12.581 -0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.201 14.522 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.336 12.986 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.894 13.224 2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.230 11.745 1.602 1.00 0.00 H new ATOM 461 N ILE A 34 2.844 15.435 1.754 1.00 0.00 N ATOM 462 CA ILE A 34 3.277 16.798 2.036 1.00 0.00 C ATOM 463 C ILE A 34 2.521 17.803 1.173 1.00 0.00 C ATOM 464 O ILE A 34 2.177 18.894 1.630 1.00 0.00 O ATOM 465 CB ILE A 34 4.789 16.969 1.798 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.580 16.027 2.708 1.00 0.00 C ATOM 467 CG2 ILE A 34 5.202 18.414 2.034 1.00 0.00 C ATOM 468 CD1 ILE A 34 7.034 15.887 2.315 1.00 0.00 C ATOM 0 H ILE A 34 3.584 14.818 1.418 1.00 0.00 H new ATOM 0 HA ILE A 34 3.060 16.988 3.087 1.00 0.00 H new ATOM 0 HB ILE A 34 5.010 16.713 0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.523 16.392 3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.112 15.043 2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.273 18.519 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.659 19.064 1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.970 18.696 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.533 15.205 3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.100 15.492 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.518 16.863 2.357 1.00 0.00 H new ATOM 480 N HIS A 35 2.264 17.429 -0.076 1.00 0.00 N ATOM 481 CA HIS A 35 1.547 18.297 -1.002 1.00 0.00 C ATOM 482 C HIS A 35 1.067 17.513 -2.220 1.00 0.00 C ATOM 483 O HIS A 35 1.833 16.773 -2.838 1.00 0.00 O ATOM 484 CB HIS A 35 2.441 19.455 -1.446 1.00 0.00 C ATOM 485 CG HIS A 35 1.683 20.609 -2.027 1.00 0.00 C ATOM 486 ND1 HIS A 35 1.239 20.637 -3.332 1.00 0.00 N ATOM 487 CD2 HIS A 35 1.290 21.779 -1.472 1.00 0.00 C ATOM 488 CE1 HIS A 35 0.607 21.776 -3.555 1.00 0.00 C ATOM 489 NE2 HIS A 35 0.623 22.486 -2.442 1.00 0.00 N ATOM 0 H HIS A 35 2.542 16.530 -0.470 1.00 0.00 H new ATOM 0 HA HIS A 35 0.676 18.699 -0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.020 19.805 -0.591 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.154 19.090 -2.186 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.468 22.097 -0.455 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.154 22.075 -4.489 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.207 23.410 -2.322 1.00 0.00 H new ATOM 497 N THR A 36 -0.208 17.680 -2.561 1.00 0.00 N ATOM 498 CA THR A 36 -0.791 16.988 -3.703 1.00 0.00 C ATOM 499 C THR A 36 -1.382 17.976 -4.702 1.00 0.00 C ATOM 500 O THR A 36 -1.915 19.017 -4.319 1.00 0.00 O ATOM 501 CB THR A 36 -1.889 16.002 -3.262 1.00 0.00 C ATOM 502 OG1 THR A 36 -2.878 16.687 -2.485 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.297 14.862 -2.447 1.00 0.00 C ATOM 0 H THR A 36 -0.856 18.289 -2.062 1.00 0.00 H new ATOM 0 HA THR A 36 0.016 16.432 -4.181 1.00 0.00 H new ATOM 0 HB THR A 36 -2.353 15.585 -4.156 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.653 16.891 -3.049 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.091 14.179 -2.147 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.565 14.325 -3.051 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.810 15.264 -1.559 1.00 0.00 H new ATOM 511 N HIS A 37 -1.284 17.643 -5.985 1.00 0.00 N ATOM 512 CA HIS A 37 -1.812 18.501 -7.040 1.00 0.00 C ATOM 513 C HIS A 37 -3.326 18.353 -7.155 1.00 0.00 C ATOM 514 O HIS A 37 -3.829 17.724 -8.084 1.00 0.00 O ATOM 515 CB HIS A 37 -1.152 18.165 -8.378 1.00 0.00 C ATOM 516 CG HIS A 37 -0.987 16.695 -8.611 1.00 0.00 C ATOM 517 ND1 HIS A 37 0.204 16.029 -8.408 1.00 0.00 N ATOM 518 CD2 HIS A 37 -1.871 15.760 -9.032 1.00 0.00 C ATOM 519 CE1 HIS A 37 0.045 14.750 -8.695 1.00 0.00 C ATOM 520 NE2 HIS A 37 -1.205 14.560 -9.076 1.00 0.00 N ATOM 0 H HIS A 37 -0.844 16.786 -6.319 1.00 0.00 H new ATOM 0 HA HIS A 37 -1.585 19.535 -6.781 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.750 18.588 -9.185 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.174 18.644 -8.422 1.00 0.00 H new ATOM 0 HD1 HIS A 37 1.072 16.458 -8.086 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.907 15.927 -9.286 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.808 13.988 -8.629 1.00 0.00 H new ATOM 528 N GLY A 38 -4.047 18.937 -6.202 1.00 0.00 N ATOM 529 CA GLY A 38 -5.496 18.858 -6.215 1.00 0.00 C ATOM 530 C GLY A 38 -6.051 18.199 -4.968 1.00 0.00 C ATOM 531 O GLY A 38 -5.561 17.153 -4.539 1.00 0.00 O ATOM 0 H GLY A 38 -3.653 19.463 -5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.911 19.862 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.819 18.298 -7.093 1.00 0.00 H new ATOM 535 N LEU A 39 -7.075 18.810 -4.384 1.00 0.00 N ATOM 536 CA LEU A 39 -7.698 18.277 -3.177 1.00 0.00 C ATOM 537 C LEU A 39 -7.710 16.752 -3.199 1.00 0.00 C ATOM 538 O LEU A 39 -8.196 16.139 -4.150 1.00 0.00 O ATOM 539 CB LEU A 39 -9.125 18.808 -3.038 1.00 0.00 C ATOM 540 CG LEU A 39 -10.013 18.089 -2.022 1.00 0.00 C ATOM 541 CD1 LEU A 39 -9.489 18.303 -0.610 1.00 0.00 C ATOM 542 CD2 LEU A 39 -11.453 18.570 -2.137 1.00 0.00 C ATOM 0 H LEU A 39 -7.492 19.675 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.111 18.605 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.074 19.862 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.608 18.755 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.989 17.021 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.133 17.784 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.475 17.910 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.482 19.369 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.071 18.048 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.495 19.642 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.826 18.365 -3.140 1.00 0.00 H new ATOM 554 N ILE A 40 -7.174 16.146 -2.145 1.00 0.00 N ATOM 555 CA ILE A 40 -7.127 14.693 -2.042 1.00 0.00 C ATOM 556 C ILE A 40 -8.522 14.110 -1.841 1.00 0.00 C ATOM 557 O ILE A 40 -9.155 14.331 -0.809 1.00 0.00 O ATOM 558 CB ILE A 40 -6.222 14.240 -0.881 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.786 14.719 -1.108 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.264 12.726 -0.737 1.00 0.00 C ATOM 561 CD1 ILE A 40 -3.958 14.765 0.156 1.00 0.00 C ATOM 0 H ILE A 40 -6.766 16.639 -1.350 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.713 14.324 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.592 14.684 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.301 14.059 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.809 15.713 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.620 12.421 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.287 12.408 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.916 12.263 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.952 15.113 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.420 15.448 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.904 13.767 0.592 1.00 0.00 H new ATOM 573 N ARG A 41 -8.994 13.364 -2.834 1.00 0.00 N ATOM 574 CA ARG A 41 -10.314 12.748 -2.767 1.00 0.00 C ATOM 575 C ARG A 41 -10.300 11.532 -1.845 1.00 0.00 C ATOM 576 O ARG A 41 -11.126 11.419 -0.940 1.00 0.00 O ATOM 577 CB ARG A 41 -10.780 12.337 -4.164 1.00 0.00 C ATOM 578 CG ARG A 41 -10.879 13.498 -5.140 1.00 0.00 C ATOM 579 CD ARG A 41 -11.800 13.170 -6.305 1.00 0.00 C ATOM 580 NE ARG A 41 -13.208 13.300 -5.942 1.00 0.00 N ATOM 581 CZ ARG A 41 -14.193 13.363 -6.831 1.00 0.00 C ATOM 582 NH1 ARG A 41 -13.924 13.308 -8.128 1.00 0.00 N ATOM 583 NH2 ARG A 41 -15.450 13.481 -6.423 1.00 0.00 N ATOM 0 H ARG A 41 -8.482 13.171 -3.695 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.010 13.482 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.089 11.595 -4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.755 11.855 -4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.249 14.381 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.886 13.743 -5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.578 13.834 -7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.606 12.153 -6.646 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.449 13.345 -4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.959 13.217 -8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.682 13.357 -8.809 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.661 13.523 -5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.206 13.529 -7.106 1.00 0.00 H new ATOM 597 N GLU A 42 -9.356 10.626 -2.083 1.00 0.00 N ATOM 598 CA GLU A 42 -9.237 9.418 -1.274 1.00 0.00 C ATOM 599 C GLU A 42 -7.865 8.775 -1.456 1.00 0.00 C ATOM 600 O GLU A 42 -7.003 9.313 -2.151 1.00 0.00 O ATOM 601 CB GLU A 42 -10.334 8.419 -1.646 1.00 0.00 C ATOM 602 CG GLU A 42 -10.468 8.190 -3.142 1.00 0.00 C ATOM 603 CD GLU A 42 -11.422 9.168 -3.799 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.356 9.635 -3.114 1.00 0.00 O ATOM 605 OE2 GLU A 42 -11.235 9.466 -4.997 1.00 0.00 O ATOM 0 H GLU A 42 -8.664 10.705 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.351 9.699 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.127 7.466 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.287 8.776 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.487 8.277 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.817 7.173 -3.320 1.00 0.00 H new ATOM 612 N TYR A 43 -7.671 7.622 -0.827 1.00 0.00 N ATOM 613 CA TYR A 43 -6.404 6.907 -0.916 1.00 0.00 C ATOM 614 C TYR A 43 -6.626 5.451 -1.315 1.00 0.00 C ATOM 615 O TYR A 43 -7.405 4.735 -0.684 1.00 0.00 O ATOM 616 CB TYR A 43 -5.662 6.972 0.420 1.00 0.00 C ATOM 617 CG TYR A 43 -5.546 8.372 0.980 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.499 9.206 0.609 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.485 8.860 1.881 1.00 0.00 C ATOM 620 CE1 TYR A 43 -4.389 10.485 1.118 1.00 0.00 C ATOM 621 CE2 TYR A 43 -6.384 10.139 2.395 1.00 0.00 C ATOM 622 CZ TYR A 43 -5.334 10.947 2.011 1.00 0.00 C ATOM 623 OH TYR A 43 -5.229 12.221 2.520 1.00 0.00 O ATOM 0 H TYR A 43 -8.375 7.162 -0.250 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.799 7.388 -1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.178 6.342 1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.662 6.557 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.758 8.848 -0.090 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.307 8.229 2.185 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.568 11.120 0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.123 10.504 3.093 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.974 12.391 3.133 1.00 0.00 H new ATOM 633 N ILE A 44 -5.937 5.021 -2.367 1.00 0.00 N ATOM 634 CA ILE A 44 -6.058 3.651 -2.850 1.00 0.00 C ATOM 635 C ILE A 44 -4.975 2.760 -2.252 1.00 0.00 C ATOM 636 O ILE A 44 -3.860 3.211 -1.988 1.00 0.00 O ATOM 637 CB ILE A 44 -5.970 3.587 -4.386 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.696 2.346 -4.909 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.515 3.584 -4.834 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.173 2.482 -6.338 1.00 0.00 C ATOM 0 H ILE A 44 -5.290 5.601 -2.901 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.037 3.290 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.456 4.471 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.028 1.487 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.552 2.138 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.469 3.538 -5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.026 4.495 -4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.006 2.717 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.678 1.565 -6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.866 3.320 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.319 2.659 -6.991 1.00 0.00 H new ATOM 652 N VAL A 45 -5.310 1.491 -2.041 1.00 0.00 N ATOM 653 CA VAL A 45 -4.366 0.534 -1.477 1.00 0.00 C ATOM 654 C VAL A 45 -4.245 -0.704 -2.358 1.00 0.00 C ATOM 655 O VAL A 45 -5.189 -1.484 -2.481 1.00 0.00 O ATOM 656 CB VAL A 45 -4.784 0.103 -0.059 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.557 1.234 0.933 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.238 -0.345 -0.046 1.00 0.00 C ATOM 0 H VAL A 45 -6.229 1.102 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.399 1.035 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.164 -0.741 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.858 0.910 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.501 1.503 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.149 2.100 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.517 -0.646 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.875 0.478 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.365 -1.189 -0.724 1.00 0.00 H new ATOM 668 N GLU A 46 -3.078 -0.877 -2.969 1.00 0.00 N ATOM 669 CA GLU A 46 -2.834 -2.021 -3.840 1.00 0.00 C ATOM 670 C GLU A 46 -2.036 -3.099 -3.112 1.00 0.00 C ATOM 671 O GLU A 46 -0.950 -2.839 -2.592 1.00 0.00 O ATOM 672 CB GLU A 46 -2.086 -1.581 -5.100 1.00 0.00 C ATOM 673 CG GLU A 46 -3.002 -1.153 -6.234 1.00 0.00 C ATOM 674 CD GLU A 46 -2.262 -0.967 -7.544 1.00 0.00 C ATOM 675 OE1 GLU A 46 -1.323 -0.144 -7.583 1.00 0.00 O ATOM 676 OE2 GLU A 46 -2.621 -1.643 -8.530 1.00 0.00 O ATOM 0 H GLU A 46 -2.287 -0.240 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.799 -2.439 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.423 -0.754 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.456 -2.401 -5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.784 -1.901 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.496 -0.219 -5.964 1.00 0.00 H new ATOM 683 N TYR A 47 -2.582 -4.309 -3.077 1.00 0.00 N ATOM 684 CA TYR A 47 -1.924 -5.426 -2.410 1.00 0.00 C ATOM 685 C TYR A 47 -1.905 -6.661 -3.307 1.00 0.00 C ATOM 686 O TYR A 47 -2.859 -6.927 -4.037 1.00 0.00 O ATOM 687 CB TYR A 47 -2.632 -5.750 -1.093 1.00 0.00 C ATOM 688 CG TYR A 47 -4.108 -6.034 -1.253 1.00 0.00 C ATOM 689 CD1 TYR A 47 -5.026 -4.999 -1.377 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.585 -7.339 -1.281 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.376 -5.254 -1.522 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.933 -7.604 -1.427 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.824 -6.558 -1.547 1.00 0.00 C ATOM 694 OH TYR A 47 -8.168 -6.817 -1.693 1.00 0.00 O ATOM 0 H TYR A 47 -3.479 -4.542 -3.503 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.895 -5.135 -2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.152 -6.615 -0.635 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.504 -4.913 -0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.678 -3.977 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.890 -8.160 -1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.076 -4.437 -1.615 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.287 -8.624 -1.447 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.316 -7.786 -1.692 1.00 0.00 H new ATOM 704 N SER A 48 -0.810 -7.412 -3.244 1.00 0.00 N ATOM 705 CA SER A 48 -0.663 -8.617 -4.052 1.00 0.00 C ATOM 706 C SER A 48 0.314 -9.592 -3.400 1.00 0.00 C ATOM 707 O SER A 48 1.461 -9.243 -3.120 1.00 0.00 O ATOM 708 CB SER A 48 -0.181 -8.258 -5.459 1.00 0.00 C ATOM 709 OG SER A 48 0.424 -9.373 -6.090 1.00 0.00 O ATOM 0 H SER A 48 -0.012 -7.207 -2.642 1.00 0.00 H new ATOM 0 HA SER A 48 -1.638 -9.099 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.023 -7.910 -6.058 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.533 -7.436 -5.404 1.00 0.00 H new ATOM 0 HG SER A 48 -0.103 -9.630 -6.875 1.00 0.00 H new ATOM 715 N ARG A 49 -0.149 -10.814 -3.163 1.00 0.00 N ATOM 716 CA ARG A 49 0.682 -11.840 -2.544 1.00 0.00 C ATOM 717 C ARG A 49 2.064 -11.882 -3.189 1.00 0.00 C ATOM 718 O ARG A 49 2.200 -11.713 -4.401 1.00 0.00 O ATOM 719 CB ARG A 49 0.011 -13.209 -2.660 1.00 0.00 C ATOM 720 CG ARG A 49 0.760 -14.318 -1.939 1.00 0.00 C ATOM 721 CD ARG A 49 0.127 -15.676 -2.195 1.00 0.00 C ATOM 722 NE ARG A 49 0.183 -16.049 -3.606 1.00 0.00 N ATOM 723 CZ ARG A 49 -0.242 -17.217 -4.075 1.00 0.00 C ATOM 724 NH1 ARG A 49 -0.753 -18.121 -3.249 1.00 0.00 N ATOM 725 NH2 ARG A 49 -0.158 -17.483 -5.372 1.00 0.00 N ATOM 0 H ARG A 49 -1.096 -11.119 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 49 0.800 -11.590 -1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.000 -13.144 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.082 -13.471 -3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.799 -14.331 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.769 -14.116 -0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.638 -16.432 -1.600 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.912 -15.660 -1.865 1.00 0.00 H new ATOM 0 HE ARG A 49 0.570 -15.376 -4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.820 -17.920 -2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.079 -19.017 -3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.233 -16.790 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.485 -18.380 -5.731 1.00 0.00 H new ATOM 739 N SER A 50 3.087 -12.109 -2.371 1.00 0.00 N ATOM 740 CA SER A 50 4.459 -12.169 -2.861 1.00 0.00 C ATOM 741 C SER A 50 4.573 -13.134 -4.037 1.00 0.00 C ATOM 742 O SER A 50 4.871 -14.315 -3.859 1.00 0.00 O ATOM 743 CB SER A 50 5.405 -12.600 -1.739 1.00 0.00 C ATOM 744 OG SER A 50 6.672 -12.970 -2.254 1.00 0.00 O ATOM 0 H SER A 50 2.991 -12.254 -1.366 1.00 0.00 H new ATOM 0 HA SER A 50 4.742 -11.173 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.523 -11.785 -1.025 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.971 -13.439 -1.195 1.00 0.00 H new ATOM 0 HG SER A 50 7.259 -13.240 -1.517 1.00 0.00 H new ATOM 750 N GLY A 51 4.334 -12.622 -5.241 1.00 0.00 N ATOM 751 CA GLY A 51 4.415 -13.451 -6.429 1.00 0.00 C ATOM 752 C GLY A 51 3.083 -13.576 -7.141 1.00 0.00 C ATOM 753 O GLY A 51 2.465 -14.641 -7.134 1.00 0.00 O ATOM 0 H GLY A 51 4.086 -11.648 -5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.151 -13.029 -7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.770 -14.444 -6.152 1.00 0.00 H new ATOM 757 N SER A 52 2.637 -12.485 -7.755 1.00 0.00 N ATOM 758 CA SER A 52 1.366 -12.475 -8.470 1.00 0.00 C ATOM 759 C SER A 52 1.272 -11.266 -9.395 1.00 0.00 C ATOM 760 O SER A 52 1.519 -10.132 -8.982 1.00 0.00 O ATOM 761 CB SER A 52 0.200 -12.466 -7.479 1.00 0.00 C ATOM 762 OG SER A 52 -0.176 -13.784 -7.121 1.00 0.00 O ATOM 0 H SER A 52 3.137 -11.596 -7.772 1.00 0.00 H new ATOM 0 HA SER A 52 1.311 -13.379 -9.077 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.483 -11.910 -6.585 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.652 -11.949 -7.920 1.00 0.00 H new ATOM 0 HG SER A 52 0.624 -14.345 -7.052 1.00 0.00 H new ATOM 768 N LYS A 53 0.914 -11.515 -10.650 1.00 0.00 N ATOM 769 CA LYS A 53 0.785 -10.448 -11.636 1.00 0.00 C ATOM 770 C LYS A 53 -0.473 -9.623 -11.384 1.00 0.00 C ATOM 771 O LYS A 53 -0.559 -8.466 -11.793 1.00 0.00 O ATOM 772 CB LYS A 53 0.749 -11.034 -13.049 1.00 0.00 C ATOM 773 CG LYS A 53 1.903 -11.975 -13.347 1.00 0.00 C ATOM 774 CD LYS A 53 1.556 -12.949 -14.460 1.00 0.00 C ATOM 775 CE LYS A 53 2.796 -13.391 -15.222 1.00 0.00 C ATOM 776 NZ LYS A 53 3.506 -14.502 -14.530 1.00 0.00 N ATOM 0 H LYS A 53 0.708 -12.447 -11.009 1.00 0.00 H new ATOM 0 HA LYS A 53 1.652 -9.794 -11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.190 -11.569 -13.187 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.760 -10.218 -13.772 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.782 -11.396 -13.630 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.164 -12.529 -12.445 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.057 -13.821 -14.039 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.853 -12.481 -15.148 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.511 -13.711 -16.224 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.472 -12.544 -15.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.345 -14.774 -15.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.800 -14.189 -13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.869 -15.320 -14.442 1.00 0.00 H new ATOM 790 N MET A 54 -1.444 -10.226 -10.706 1.00 0.00 N ATOM 791 CA MET A 54 -2.696 -9.545 -10.398 1.00 0.00 C ATOM 792 C MET A 54 -2.592 -8.786 -9.079 1.00 0.00 C ATOM 793 O MET A 54 -1.946 -9.246 -8.137 1.00 0.00 O ATOM 794 CB MET A 54 -3.846 -10.552 -10.330 1.00 0.00 C ATOM 795 CG MET A 54 -5.110 -9.989 -9.700 1.00 0.00 C ATOM 796 SD MET A 54 -6.600 -10.840 -10.254 1.00 0.00 S ATOM 797 CE MET A 54 -7.222 -9.677 -11.467 1.00 0.00 C ATOM 0 H MET A 54 -1.388 -11.184 -10.360 1.00 0.00 H new ATOM 0 HA MET A 54 -2.896 -8.829 -11.195 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.075 -10.898 -11.338 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.522 -11.423 -9.760 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.035 -10.064 -8.615 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.191 -8.929 -9.941 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.144 -10.063 -11.901 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.420 -8.720 -10.985 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.480 -9.540 -12.254 1.00 0.00 H new ATOM 807 N TRP A 55 -3.229 -7.623 -9.019 1.00 0.00 N ATOM 808 CA TRP A 55 -3.207 -6.800 -7.814 1.00 0.00 C ATOM 809 C TRP A 55 -4.611 -6.333 -7.448 1.00 0.00 C ATOM 810 O TRP A 55 -5.409 -5.992 -8.320 1.00 0.00 O ATOM 811 CB TRP A 55 -2.290 -5.592 -8.014 1.00 0.00 C ATOM 812 CG TRP A 55 -0.835 -5.949 -8.045 1.00 0.00 C ATOM 813 CD1 TRP A 55 -0.187 -6.663 -9.012 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.151 -5.610 -7.064 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.144 -6.788 -8.691 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.377 -6.151 -7.501 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.120 -4.901 -5.860 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.556 -6.004 -6.776 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.291 -4.757 -5.141 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.496 -5.306 -5.601 1.00 0.00 C ATOM 0 H TRP A 55 -3.767 -7.228 -9.790 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.822 -7.408 -6.995 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.555 -5.095 -8.947 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.464 -4.876 -7.211 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.652 -7.070 -9.898 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.845 -7.276 -9.249 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.803 -4.473 -5.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.485 -6.426 -7.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.278 -4.212 -4.209 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.395 -5.175 -5.016 1.00 0.00 H new ATOM 831 N ALA A 56 -4.906 -6.320 -6.152 1.00 0.00 N ATOM 832 CA ALA A 56 -6.214 -5.893 -5.671 1.00 0.00 C ATOM 833 C ALA A 56 -6.175 -4.448 -5.184 1.00 0.00 C ATOM 834 O ALA A 56 -5.442 -4.117 -4.252 1.00 0.00 O ATOM 835 CB ALA A 56 -6.694 -6.814 -4.559 1.00 0.00 C ATOM 0 H ALA A 56 -4.257 -6.600 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.916 -5.950 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.672 -6.483 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.770 -7.833 -4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.985 -6.786 -3.732 1.00 0.00 H new ATOM 841 N SER A 57 -6.967 -3.592 -5.821 1.00 0.00 N ATOM 842 CA SER A 57 -7.020 -2.182 -5.455 1.00 0.00 C ATOM 843 C SER A 57 -8.372 -1.828 -4.845 1.00 0.00 C ATOM 844 O SER A 57 -9.416 -2.269 -5.326 1.00 0.00 O ATOM 845 CB SER A 57 -6.756 -1.305 -6.681 1.00 0.00 C ATOM 846 OG SER A 57 -7.679 -1.588 -7.718 1.00 0.00 O ATOM 0 H SER A 57 -7.581 -3.850 -6.593 1.00 0.00 H new ATOM 0 HA SER A 57 -6.246 -1.997 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.828 -0.254 -6.402 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.740 -1.471 -7.039 1.00 0.00 H new ATOM 0 HG SER A 57 -7.491 -1.014 -8.489 1.00 0.00 H new ATOM 852 N GLN A 58 -8.345 -1.030 -3.782 1.00 0.00 N ATOM 853 CA GLN A 58 -9.569 -0.618 -3.105 1.00 0.00 C ATOM 854 C GLN A 58 -9.448 0.811 -2.586 1.00 0.00 C ATOM 855 O GLN A 58 -8.345 1.311 -2.365 1.00 0.00 O ATOM 856 CB GLN A 58 -9.882 -1.569 -1.949 1.00 0.00 C ATOM 857 CG GLN A 58 -8.828 -1.563 -0.854 1.00 0.00 C ATOM 858 CD GLN A 58 -9.307 -2.231 0.420 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.492 -2.185 0.751 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.385 -2.856 1.144 1.00 0.00 N ATOM 0 H GLN A 58 -7.489 -0.656 -3.371 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.385 -0.655 -3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.845 -1.297 -1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.982 -2.582 -2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.934 -2.072 -1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.543 -0.534 -0.635 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.414 -2.869 0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.648 -3.323 2.012 1.00 0.00 H new ATOM 869 N ARG A 59 -10.590 1.463 -2.393 1.00 0.00 N ATOM 870 CA ARG A 59 -10.612 2.835 -1.901 1.00 0.00 C ATOM 871 C ARG A 59 -10.607 2.866 -0.375 1.00 0.00 C ATOM 872 O ARG A 59 -11.148 1.973 0.275 1.00 0.00 O ATOM 873 CB ARG A 59 -11.845 3.570 -2.432 1.00 0.00 C ATOM 874 CG ARG A 59 -12.010 3.472 -3.940 1.00 0.00 C ATOM 875 CD ARG A 59 -10.788 4.008 -4.670 1.00 0.00 C ATOM 876 NE ARG A 59 -11.060 4.256 -6.083 1.00 0.00 N ATOM 877 CZ ARG A 59 -11.671 5.346 -6.533 1.00 0.00 C ATOM 878 NH1 ARG A 59 -12.070 6.285 -5.686 1.00 0.00 N ATOM 879 NH2 ARG A 59 -11.882 5.500 -7.834 1.00 0.00 N ATOM 0 H ARG A 59 -11.512 1.063 -2.570 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.714 3.338 -2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.735 3.164 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.781 4.621 -2.150 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.177 2.432 -4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.893 4.031 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.460 4.933 -4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.969 3.295 -4.578 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.765 3.554 -6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.908 6.171 -4.685 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.539 7.121 -6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.575 4.781 -8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.351 6.337 -8.179 1.00 0.00 H new ATOM 893 N ALA A 60 -9.991 3.900 0.189 1.00 0.00 N ATOM 894 CA ALA A 60 -9.916 4.048 1.637 1.00 0.00 C ATOM 895 C ALA A 60 -10.205 5.485 2.057 1.00 0.00 C ATOM 896 O ALA A 60 -9.618 6.427 1.526 1.00 0.00 O ATOM 897 CB ALA A 60 -8.549 3.612 2.142 1.00 0.00 C ATOM 0 H ALA A 60 -9.537 4.648 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.676 3.407 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.507 3.728 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.382 2.567 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.777 4.229 1.681 1.00 0.00 H new ATOM 903 N ALA A 61 -11.112 5.646 3.015 1.00 0.00 N ATOM 904 CA ALA A 61 -11.477 6.968 3.507 1.00 0.00 C ATOM 905 C ALA A 61 -10.438 7.493 4.491 1.00 0.00 C ATOM 906 O ALA A 61 -10.059 8.664 4.443 1.00 0.00 O ATOM 907 CB ALA A 61 -12.851 6.927 4.160 1.00 0.00 C ATOM 0 H ALA A 61 -11.607 4.877 3.466 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.511 7.649 2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.111 7.921 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.592 6.602 3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.836 6.228 4.996 1.00 0.00 H new ATOM 913 N SER A 62 -9.980 6.621 5.383 1.00 0.00 N ATOM 914 CA SER A 62 -8.987 6.999 6.382 1.00 0.00 C ATOM 915 C SER A 62 -7.573 6.746 5.866 1.00 0.00 C ATOM 916 O SER A 62 -7.384 6.316 4.729 1.00 0.00 O ATOM 917 CB SER A 62 -9.215 6.221 7.679 1.00 0.00 C ATOM 918 OG SER A 62 -10.243 6.812 8.455 1.00 0.00 O ATOM 0 H SER A 62 -10.281 5.648 5.435 1.00 0.00 H new ATOM 0 HA SER A 62 -9.097 8.065 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.478 5.189 7.446 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.291 6.192 8.256 1.00 0.00 H new ATOM 0 HG SER A 62 -10.370 6.295 9.278 1.00 0.00 H new ATOM 924 N ASN A 63 -6.584 7.015 6.711 1.00 0.00 N ATOM 925 CA ASN A 63 -5.187 6.818 6.341 1.00 0.00 C ATOM 926 C ASN A 63 -4.774 5.362 6.536 1.00 0.00 C ATOM 927 O ASN A 63 -3.587 5.036 6.524 1.00 0.00 O ATOM 928 CB ASN A 63 -4.284 7.731 7.172 1.00 0.00 C ATOM 929 CG ASN A 63 -4.178 9.127 6.587 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.164 9.862 6.526 1.00 0.00 O ATOM 931 ND2 ASN A 63 -2.979 9.497 6.153 1.00 0.00 N ATOM 0 H ASN A 63 -6.724 7.370 7.657 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.077 7.071 5.287 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.673 7.794 8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.289 7.291 7.238 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.847 10.424 5.749 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.190 8.854 6.224 1.00 0.00 H new ATOM 938 N PHE A 64 -5.761 4.491 6.714 1.00 0.00 N ATOM 939 CA PHE A 64 -5.501 3.070 6.911 1.00 0.00 C ATOM 940 C PHE A 64 -6.657 2.226 6.382 1.00 0.00 C ATOM 941 O PHE A 64 -7.753 2.734 6.142 1.00 0.00 O ATOM 942 CB PHE A 64 -5.275 2.772 8.395 1.00 0.00 C ATOM 943 CG PHE A 64 -6.540 2.470 9.145 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.485 3.460 9.363 1.00 0.00 C ATOM 945 CD2 PHE A 64 -6.784 1.197 9.634 1.00 0.00 C ATOM 946 CE1 PHE A 64 -8.651 3.186 10.053 1.00 0.00 C ATOM 947 CE2 PHE A 64 -7.948 0.917 10.324 1.00 0.00 C ATOM 948 CZ PHE A 64 -8.882 1.913 10.535 1.00 0.00 C ATOM 0 H PHE A 64 -6.749 4.744 6.726 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.601 2.811 6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.596 1.924 8.488 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.783 3.627 8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.308 4.458 8.989 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.057 0.415 9.474 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.380 3.966 10.215 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.128 -0.080 10.698 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.791 1.696 11.076 1.00 0.00 H new ATOM 958 N THR A 65 -6.405 0.933 6.203 1.00 0.00 N ATOM 959 CA THR A 65 -7.423 0.019 5.701 1.00 0.00 C ATOM 960 C THR A 65 -7.212 -1.390 6.244 1.00 0.00 C ATOM 961 O THR A 65 -6.309 -1.627 7.046 1.00 0.00 O ATOM 962 CB THR A 65 -7.423 -0.032 4.161 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.663 -0.570 3.689 1.00 0.00 O ATOM 964 CG2 THR A 65 -6.269 -0.878 3.647 1.00 0.00 C ATOM 0 H THR A 65 -5.505 0.495 6.398 1.00 0.00 H new ATOM 0 HA THR A 65 -8.385 0.398 6.045 1.00 0.00 H new ATOM 0 HB THR A 65 -7.302 0.984 3.786 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.656 -0.598 2.709 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.290 -0.899 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.325 -0.449 3.983 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.363 -1.894 4.031 1.00 0.00 H new ATOM 972 N GLU A 66 -8.050 -2.322 5.801 1.00 0.00 N ATOM 973 CA GLU A 66 -7.954 -3.708 6.244 1.00 0.00 C ATOM 974 C GLU A 66 -8.062 -4.666 5.061 1.00 0.00 C ATOM 975 O GLU A 66 -9.153 -4.911 4.545 1.00 0.00 O ATOM 976 CB GLU A 66 -9.050 -4.017 7.266 1.00 0.00 C ATOM 977 CG GLU A 66 -8.633 -3.754 8.703 1.00 0.00 C ATOM 978 CD GLU A 66 -9.803 -3.374 9.590 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.564 -2.460 9.208 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.958 -3.990 10.665 1.00 0.00 O ATOM 0 H GLU A 66 -8.802 -2.143 5.136 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.980 -3.846 6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.930 -3.416 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.343 -5.062 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.151 -4.644 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.893 -2.954 8.722 1.00 0.00 H new ATOM 987 N ILE A 67 -6.924 -5.203 4.637 1.00 0.00 N ATOM 988 CA ILE A 67 -6.890 -6.134 3.516 1.00 0.00 C ATOM 989 C ILE A 67 -7.229 -7.551 3.967 1.00 0.00 C ATOM 990 O ILE A 67 -6.375 -8.272 4.483 1.00 0.00 O ATOM 991 CB ILE A 67 -5.510 -6.142 2.832 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.187 -4.756 2.269 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.472 -7.190 1.729 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.716 -4.547 1.986 1.00 0.00 C ATOM 0 H ILE A 67 -6.013 -5.010 5.053 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.639 -5.794 2.801 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.754 -6.397 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.751 -4.606 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.524 -3.998 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.491 -7.184 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.662 -8.175 2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.236 -6.963 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.561 -3.544 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.148 -4.664 2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.378 -5.282 1.256 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.483 -7.945 3.768 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.936 -9.277 4.150 1.00 0.00 C ATOM 1008 C LYS A 68 -8.844 -10.242 2.973 1.00 0.00 C ATOM 1009 O LYS A 68 -8.470 -9.854 1.868 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.377 -9.219 4.665 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.668 -7.999 5.522 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.746 -8.287 6.553 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.555 -7.450 7.808 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.779 -7.435 8.657 1.00 0.00 N ATOM 0 H LYS A 68 -9.203 -7.360 3.344 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.286 -9.641 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.059 -9.226 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.583 -10.118 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.756 -7.682 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.984 -7.173 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.726 -8.081 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.728 -9.345 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.718 -7.845 8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.295 -6.429 7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.608 -6.854 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.572 -7.034 8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.013 -8.406 8.946 1.00 0.00 H new ATOM 1028 N ASN A 69 -9.189 -11.502 3.219 1.00 0.00 N ATOM 1029 CA ASN A 69 -9.146 -12.523 2.178 1.00 0.00 C ATOM 1030 C ASN A 69 -7.709 -12.796 1.743 1.00 0.00 C ATOM 1031 O ASN A 69 -7.390 -12.754 0.554 1.00 0.00 O ATOM 1032 CB ASN A 69 -9.982 -12.088 0.973 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.287 -11.434 1.381 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -11.881 -11.789 2.399 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.741 -10.472 0.586 1.00 0.00 N ATOM 0 H ASN A 69 -9.501 -11.840 4.129 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.564 -13.443 2.588 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.404 -11.391 0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.193 -12.956 0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.615 -9.995 0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.216 -10.210 -0.248 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.846 -13.074 2.713 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.442 -13.355 2.431 1.00 0.00 C ATOM 1044 C LEU A 70 -5.039 -14.720 2.978 1.00 0.00 C ATOM 1045 O LEU A 70 -5.795 -15.353 3.716 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.553 -12.267 3.037 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.960 -10.824 2.740 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -4.056 -9.851 3.480 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.923 -10.557 1.242 1.00 0.00 C ATOM 0 H LEU A 70 -7.093 -13.111 3.702 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.309 -13.365 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.534 -12.402 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.535 -12.417 2.679 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.982 -10.675 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.361 -8.829 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.134 -10.026 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.024 -9.999 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.216 -9.525 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.913 -10.724 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.614 -11.231 0.735 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.843 -15.169 2.613 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.337 -16.459 3.068 1.00 0.00 C ATOM 1063 C LEU A 71 -2.415 -16.288 4.271 1.00 0.00 C ATOM 1064 O LEU A 71 -1.387 -15.617 4.188 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.591 -17.165 1.935 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.381 -17.382 0.644 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.470 -17.901 -0.458 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.537 -18.343 0.880 1.00 0.00 C ATOM 0 H LEU A 71 -3.205 -14.658 2.003 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.188 -17.070 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.699 -16.586 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.254 -18.136 2.298 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.792 -16.423 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.049 -18.050 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.677 -17.177 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.029 -18.849 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.088 -18.485 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.149 -19.302 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.204 -17.931 1.637 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.790 -16.903 5.389 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.995 -16.822 6.609 1.00 0.00 C ATOM 1082 C VAL A 72 -0.566 -17.294 6.366 1.00 0.00 C ATOM 1083 O VAL A 72 -0.302 -18.052 5.434 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.616 -17.662 7.740 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -3.894 -17.013 8.248 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.882 -19.082 7.264 1.00 0.00 C ATOM 0 H VAL A 72 -3.639 -17.462 5.475 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.982 -15.774 6.910 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.907 -17.707 8.567 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.318 -17.621 9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.669 -16.017 8.630 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.612 -16.935 7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.321 -19.662 8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.572 -19.060 6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.944 -19.544 6.954 1.00 0.00 H new ATOM 1096 N ASN A 73 0.354 -16.840 7.212 1.00 0.00 N ATOM 1097 CA ASN A 73 1.757 -17.216 7.089 1.00 0.00 C ATOM 1098 C ASN A 73 2.237 -17.065 5.648 1.00 0.00 C ATOM 1099 O ASN A 73 2.913 -17.943 5.111 1.00 0.00 O ATOM 1100 CB ASN A 73 1.964 -18.658 7.558 1.00 0.00 C ATOM 1101 CG ASN A 73 1.284 -19.664 6.650 1.00 0.00 C ATOM 1102 OD1 ASN A 73 1.809 -20.018 5.594 1.00 0.00 O ATOM 1103 ND2 ASN A 73 0.110 -20.131 7.058 1.00 0.00 N ATOM 0 H ASN A 73 0.152 -16.211 7.990 1.00 0.00 H new ATOM 0 HA ASN A 73 2.342 -16.548 7.721 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.032 -18.874 7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.577 -18.767 8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.394 -20.811 6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.288 -19.810 7.941 1.00 0.00 H new ATOM 1110 N THR A 74 1.883 -15.944 5.027 1.00 0.00 N ATOM 1111 CA THR A 74 2.276 -15.678 3.649 1.00 0.00 C ATOM 1112 C THR A 74 2.680 -14.219 3.465 1.00 0.00 C ATOM 1113 O THR A 74 2.011 -13.312 3.961 1.00 0.00 O ATOM 1114 CB THR A 74 1.138 -16.011 2.666 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.674 -17.347 2.887 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.606 -15.863 1.226 1.00 0.00 C ATOM 0 H THR A 74 1.325 -15.206 5.457 1.00 0.00 H new ATOM 0 HA THR A 74 3.131 -16.319 3.434 1.00 0.00 H new ATOM 0 HB THR A 74 0.321 -15.310 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.296 -17.417 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.785 -16.103 0.550 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.930 -14.837 1.052 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.438 -16.543 1.042 1.00 0.00 H new ATOM 1124 N LEU A 75 3.778 -14.000 2.750 1.00 0.00 N ATOM 1125 CA LEU A 75 4.271 -12.651 2.500 1.00 0.00 C ATOM 1126 C LEU A 75 3.366 -11.913 1.519 1.00 0.00 C ATOM 1127 O LEU A 75 3.123 -12.384 0.408 1.00 0.00 O ATOM 1128 CB LEU A 75 5.699 -12.702 1.954 1.00 0.00 C ATOM 1129 CG LEU A 75 6.477 -11.386 1.984 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.643 -10.259 1.395 1.00 0.00 C ATOM 1131 CD2 LEU A 75 6.902 -11.050 3.407 1.00 0.00 C ATOM 0 H LEU A 75 4.344 -14.740 2.333 1.00 0.00 H new ATOM 0 HA LEU A 75 4.269 -12.109 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.258 -13.444 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.660 -13.054 0.923 1.00 0.00 H new ATOM 0 HG LEU A 75 7.374 -11.503 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.213 -9.330 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.389 -10.496 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.728 -10.142 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.454 -10.110 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.018 -10.953 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.538 -11.846 3.794 1.00 0.00 H new ATOM 1143 N TYR A 76 2.871 -10.753 1.936 1.00 0.00 N ATOM 1144 CA TYR A 76 1.993 -9.949 1.094 1.00 0.00 C ATOM 1145 C TYR A 76 2.506 -8.517 0.982 1.00 0.00 C ATOM 1146 O TYR A 76 2.890 -7.902 1.977 1.00 0.00 O ATOM 1147 CB TYR A 76 0.571 -9.951 1.658 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.291 -11.073 1.124 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -0.063 -12.391 1.502 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -1.334 -10.815 0.242 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -0.847 -13.419 1.016 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -2.124 -11.837 -0.247 1.00 0.00 C ATOM 1153 CZ TYR A 76 -1.877 -13.137 0.142 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.661 -14.158 -0.343 1.00 0.00 O ATOM 0 H TYR A 76 3.063 -10.348 2.852 1.00 0.00 H new ATOM 0 HA TYR A 76 1.983 -10.390 0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.620 -10.027 2.744 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.096 -8.998 1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.741 -12.615 2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.530 -9.799 -0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.655 -14.438 1.318 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.931 -11.619 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.341 -13.790 -0.945 1.00 0.00 H new ATOM 1164 N THR A 77 2.508 -7.990 -0.238 1.00 0.00 N ATOM 1165 CA THR A 77 2.973 -6.631 -0.483 1.00 0.00 C ATOM 1166 C THR A 77 1.815 -5.640 -0.456 1.00 0.00 C ATOM 1167 O THR A 77 0.717 -5.939 -0.925 1.00 0.00 O ATOM 1168 CB THR A 77 3.697 -6.520 -1.839 1.00 0.00 C ATOM 1169 OG1 THR A 77 4.810 -7.420 -1.875 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.180 -5.098 -2.080 1.00 0.00 C ATOM 0 H THR A 77 2.192 -8.484 -1.073 1.00 0.00 H new ATOM 0 HA THR A 77 3.674 -6.389 0.316 1.00 0.00 H new ATOM 0 HB THR A 77 2.991 -6.785 -2.626 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.264 -7.345 -2.740 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.688 -5.045 -3.043 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.327 -4.419 -2.081 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.872 -4.810 -1.289 1.00 0.00 H new ATOM 1178 N VAL A 78 2.068 -4.457 0.096 1.00 0.00 N ATOM 1179 CA VAL A 78 1.046 -3.420 0.183 1.00 0.00 C ATOM 1180 C VAL A 78 1.617 -2.055 -0.182 1.00 0.00 C ATOM 1181 O VAL A 78 2.761 -1.741 0.145 1.00 0.00 O ATOM 1182 CB VAL A 78 0.437 -3.349 1.596 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -0.738 -2.385 1.623 1.00 0.00 C ATOM 1184 CG2 VAL A 78 0.013 -4.733 2.063 1.00 0.00 C ATOM 0 H VAL A 78 2.971 -4.193 0.489 1.00 0.00 H new ATOM 0 HA VAL A 78 0.264 -3.686 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 78 1.197 -2.976 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.155 -2.348 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.399 -1.390 1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.503 -2.725 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.415 -4.664 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.731 -5.136 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.881 -5.392 2.085 1.00 0.00 H new ATOM 1194 N ARG A 79 0.810 -1.245 -0.861 1.00 0.00 N ATOM 1195 CA ARG A 79 1.235 0.088 -1.272 1.00 0.00 C ATOM 1196 C ARG A 79 0.037 1.023 -1.406 1.00 0.00 C ATOM 1197 O ARG A 79 -0.981 0.665 -1.999 1.00 0.00 O ATOM 1198 CB ARG A 79 1.992 0.018 -2.600 1.00 0.00 C ATOM 1199 CG ARG A 79 1.171 -0.562 -3.739 1.00 0.00 C ATOM 1200 CD ARG A 79 1.898 -0.437 -5.069 1.00 0.00 C ATOM 1201 NE ARG A 79 1.359 -1.349 -6.075 1.00 0.00 N ATOM 1202 CZ ARG A 79 2.022 -1.714 -7.167 1.00 0.00 C ATOM 1203 NH1 ARG A 79 3.243 -1.248 -7.392 1.00 0.00 N ATOM 1204 NH2 ARG A 79 1.465 -2.548 -8.035 1.00 0.00 N ATOM 0 H ARG A 79 -0.141 -1.489 -1.138 1.00 0.00 H new ATOM 0 HA ARG A 79 1.899 0.484 -0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.321 1.020 -2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.889 -0.586 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.957 -1.612 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.212 -0.047 -3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.820 0.588 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.958 -0.643 -4.923 1.00 0.00 H new ATOM 0 HE ARG A 79 0.422 -1.726 -5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.675 -0.608 -6.726 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.750 -1.530 -8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.527 -2.910 -7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.975 -2.827 -8.873 1.00 0.00 H new ATOM 1218 N VAL A 80 0.165 2.223 -0.849 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.906 3.211 -0.907 1.00 0.00 C ATOM 1220 C VAL A 80 -0.570 4.331 -1.884 1.00 0.00 C ATOM 1221 O VAL A 80 0.593 4.536 -2.232 1.00 0.00 O ATOM 1222 CB VAL A 80 -1.182 3.820 0.481 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.426 4.696 0.442 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.325 2.724 1.525 1.00 0.00 C ATOM 0 H VAL A 80 1.000 2.535 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.799 2.690 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.334 4.446 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.605 5.118 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.280 5.503 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.285 4.095 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.520 3.173 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.154 2.070 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.404 2.143 1.571 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.595 5.054 -2.323 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.408 6.155 -3.259 1.00 0.00 C ATOM 1236 C ALA A 81 -2.508 7.200 -3.104 1.00 0.00 C ATOM 1237 O ALA A 81 -3.689 6.864 -3.027 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.370 5.634 -4.688 1.00 0.00 C ATOM 0 H ALA A 81 -2.564 4.897 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.454 6.632 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.230 6.468 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.544 4.931 -4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.309 5.129 -4.916 1.00 0.00 H new ATOM 1244 N ALA A 82 -2.111 8.468 -3.059 1.00 0.00 N ATOM 1245 CA ALA A 82 -3.064 9.561 -2.914 1.00 0.00 C ATOM 1246 C ALA A 82 -3.712 9.905 -4.251 1.00 0.00 C ATOM 1247 O ALA A 82 -3.024 10.131 -5.246 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.377 10.786 -2.328 1.00 0.00 C ATOM 0 H ALA A 82 -1.137 8.763 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.850 9.237 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.101 11.595 -2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.967 10.539 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.571 11.102 -2.990 1.00 0.00 H new ATOM 1254 N VAL A 83 -5.041 9.942 -4.267 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.782 10.258 -5.482 1.00 0.00 C ATOM 1256 C VAL A 83 -6.167 11.733 -5.522 1.00 0.00 C ATOM 1257 O VAL A 83 -6.442 12.344 -4.489 1.00 0.00 O ATOM 1258 CB VAL A 83 -7.057 9.403 -5.600 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.092 10.104 -6.467 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.726 8.027 -6.158 1.00 0.00 C ATOM 0 H VAL A 83 -5.626 9.757 -3.452 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.124 10.034 -6.322 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.480 9.274 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.986 9.485 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.351 11.064 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.682 10.266 -7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.639 7.436 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.278 8.133 -7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.023 7.524 -5.494 1.00 0.00 H new ATOM 1270 N THR A 84 -6.187 12.301 -6.724 1.00 0.00 N ATOM 1271 CA THR A 84 -6.537 13.705 -6.900 1.00 0.00 C ATOM 1272 C THR A 84 -7.616 13.872 -7.965 1.00 0.00 C ATOM 1273 O THR A 84 -7.913 12.941 -8.712 1.00 0.00 O ATOM 1274 CB THR A 84 -5.308 14.546 -7.294 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.736 14.040 -8.505 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.264 14.529 -6.187 1.00 0.00 C ATOM 0 H THR A 84 -5.965 11.810 -7.590 1.00 0.00 H new ATOM 0 HA THR A 84 -6.917 14.059 -5.942 1.00 0.00 H new ATOM 0 HB THR A 84 -5.633 15.575 -7.449 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.771 13.916 -8.384 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.405 15.129 -6.487 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.694 14.942 -5.275 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.944 13.503 -6.005 1.00 0.00 H new ATOM 1284 N SER A 85 -8.197 15.066 -8.029 1.00 0.00 N ATOM 1285 CA SER A 85 -9.245 15.355 -9.000 1.00 0.00 C ATOM 1286 C SER A 85 -8.939 14.696 -10.342 1.00 0.00 C ATOM 1287 O SER A 85 -9.841 14.230 -11.038 1.00 0.00 O ATOM 1288 CB SER A 85 -9.397 16.866 -9.184 1.00 0.00 C ATOM 1289 OG SER A 85 -10.552 17.173 -9.945 1.00 0.00 O ATOM 0 H SER A 85 -7.959 15.849 -7.420 1.00 0.00 H new ATOM 0 HA SER A 85 -10.181 14.947 -8.619 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.461 17.350 -8.209 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.513 17.266 -9.681 1.00 0.00 H new ATOM 0 HG SER A 85 -10.628 18.145 -10.047 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.659 14.661 -10.698 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.232 14.060 -11.956 1.00 0.00 C ATOM 1297 C ARG A 86 -7.262 12.537 -11.870 1.00 0.00 C ATOM 1298 O ARG A 86 -8.068 11.883 -12.531 1.00 0.00 O ATOM 1299 CB ARG A 86 -5.823 14.533 -12.320 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.338 14.022 -13.666 1.00 0.00 C ATOM 1301 CD ARG A 86 -5.714 14.972 -14.792 1.00 0.00 C ATOM 1302 NE ARG A 86 -7.108 14.814 -15.199 1.00 0.00 N ATOM 1303 CZ ARG A 86 -7.681 15.537 -16.154 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -6.984 16.464 -16.797 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -8.954 15.334 -16.468 1.00 0.00 N ATOM 0 H ARG A 86 -6.900 15.042 -10.133 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.927 14.376 -12.734 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.805 15.623 -12.327 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.128 14.208 -11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.255 13.897 -13.640 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.768 13.039 -13.859 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.544 16.000 -14.471 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.064 14.794 -15.649 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.672 14.110 -14.724 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.005 16.623 -16.558 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.427 17.018 -17.530 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.493 14.622 -15.976 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.393 15.890 -17.202 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.378 11.978 -11.049 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.319 10.537 -10.892 1.00 0.00 C ATOM 1321 C GLY A 87 -5.301 10.108 -9.854 1.00 0.00 C ATOM 1322 O GLY A 87 -4.865 10.914 -9.033 1.00 0.00 O ATOM 0 H GLY A 87 -5.702 12.498 -10.490 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.303 10.165 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.071 10.080 -11.850 1.00 0.00 H new ATOM 1326 N ILE A 88 -4.923 8.834 -9.890 1.00 0.00 N ATOM 1327 CA ILE A 88 -3.950 8.300 -8.945 1.00 0.00 C ATOM 1328 C ILE A 88 -2.546 8.806 -9.256 1.00 0.00 C ATOM 1329 O ILE A 88 -2.107 8.783 -10.405 1.00 0.00 O ATOM 1330 CB ILE A 88 -3.943 6.760 -8.955 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.328 6.219 -8.593 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -2.892 6.229 -7.991 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.554 4.791 -9.037 1.00 0.00 C ATOM 0 H ILE A 88 -5.276 8.153 -10.563 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.247 8.648 -7.956 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.692 6.419 -9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.462 6.281 -7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.088 6.856 -9.046 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.899 5.139 -8.009 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.908 6.591 -8.290 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.115 6.576 -6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.556 4.474 -8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.452 4.726 -10.120 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.817 4.142 -8.564 1.00 0.00 H new ATOM 1345 N GLY A 89 -1.844 9.262 -8.223 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.495 9.766 -8.407 1.00 0.00 C ATOM 1347 C GLY A 89 0.556 8.690 -8.218 1.00 0.00 C ATOM 1348 O GLY A 89 0.355 7.541 -8.609 1.00 0.00 O ATOM 0 H GLY A 89 -2.185 9.291 -7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.402 10.189 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.313 10.576 -7.700 1.00 0.00 H new ATOM 1352 N ASN A 90 1.682 9.064 -7.618 1.00 0.00 N ATOM 1353 CA ASN A 90 2.770 8.123 -7.381 1.00 0.00 C ATOM 1354 C ASN A 90 2.369 7.078 -6.343 1.00 0.00 C ATOM 1355 O ASN A 90 1.416 7.272 -5.588 1.00 0.00 O ATOM 1356 CB ASN A 90 4.023 8.867 -6.914 1.00 0.00 C ATOM 1357 CG ASN A 90 4.640 9.707 -8.015 1.00 0.00 C ATOM 1358 OD1 ASN A 90 5.003 9.194 -9.073 1.00 0.00 O ATOM 1359 ND2 ASN A 90 4.760 11.007 -7.770 1.00 0.00 N ATOM 0 H ASN A 90 1.864 10.012 -7.287 1.00 0.00 H new ATOM 0 HA ASN A 90 2.987 7.613 -8.320 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.768 9.509 -6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.758 8.146 -6.555 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.167 11.623 -8.474 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.445 11.389 -6.878 1.00 0.00 H new ATOM 1366 N TRP A 91 3.103 5.972 -6.312 1.00 0.00 N ATOM 1367 CA TRP A 91 2.824 4.897 -5.367 1.00 0.00 C ATOM 1368 C TRP A 91 3.825 4.910 -4.216 1.00 0.00 C ATOM 1369 O TRP A 91 5.034 4.990 -4.434 1.00 0.00 O ATOM 1370 CB TRP A 91 2.864 3.542 -6.077 1.00 0.00 C ATOM 1371 CG TRP A 91 1.702 3.321 -6.998 1.00 0.00 C ATOM 1372 CD1 TRP A 91 1.694 3.466 -8.356 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.380 2.917 -6.627 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.446 3.176 -8.852 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.378 2.836 -7.812 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.238 2.614 -5.411 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.721 2.466 -7.813 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.570 2.247 -5.413 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.300 2.175 -6.607 1.00 0.00 C ATOM 0 H TRP A 91 3.895 5.796 -6.930 1.00 0.00 H new ATOM 0 HA TRP A 91 1.826 5.057 -4.959 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.790 3.465 -6.647 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.883 2.748 -5.330 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.544 3.765 -8.952 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.177 3.209 -9.835 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.316 2.666 -4.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.285 2.411 -8.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.057 2.012 -4.478 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.340 1.884 -6.575 1.00 0.00 H new ATOM 1390 N SER A 92 3.314 4.833 -2.992 1.00 0.00 N ATOM 1391 CA SER A 92 4.163 4.840 -1.807 1.00 0.00 C ATOM 1392 C SER A 92 5.083 3.623 -1.790 1.00 0.00 C ATOM 1393 O SER A 92 4.692 2.529 -2.199 1.00 0.00 O ATOM 1394 CB SER A 92 3.307 4.863 -0.539 1.00 0.00 C ATOM 1395 OG SER A 92 2.967 3.550 -0.129 1.00 0.00 O ATOM 0 H SER A 92 2.316 4.765 -2.795 1.00 0.00 H new ATOM 0 HA SER A 92 4.778 5.739 -1.838 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.849 5.368 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.399 5.437 -0.720 1.00 0.00 H new ATOM 0 HG SER A 92 2.421 3.592 0.684 1.00 0.00 H new ATOM 1401 N ASP A 93 6.307 3.821 -1.315 1.00 0.00 N ATOM 1402 CA ASP A 93 7.284 2.741 -1.243 1.00 0.00 C ATOM 1403 C ASP A 93 6.626 1.442 -0.790 1.00 0.00 C ATOM 1404 O ASP A 93 6.486 1.190 0.407 1.00 0.00 O ATOM 1405 CB ASP A 93 8.419 3.112 -0.288 1.00 0.00 C ATOM 1406 CG ASP A 93 8.886 4.543 -0.472 1.00 0.00 C ATOM 1407 OD1 ASP A 93 8.071 5.465 -0.260 1.00 0.00 O ATOM 1408 OD2 ASP A 93 10.066 4.741 -0.830 1.00 0.00 O ATOM 0 H ASP A 93 6.647 4.720 -0.974 1.00 0.00 H new ATOM 0 HA ASP A 93 7.695 2.591 -2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.086 2.971 0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.259 2.436 -0.446 1.00 0.00 H new ATOM 1413 N SER A 94 6.222 0.620 -1.754 1.00 0.00 N ATOM 1414 CA SER A 94 5.573 -0.650 -1.453 1.00 0.00 C ATOM 1415 C SER A 94 6.381 -1.445 -0.432 1.00 0.00 C ATOM 1416 O SER A 94 7.570 -1.701 -0.627 1.00 0.00 O ATOM 1417 CB SER A 94 5.396 -1.472 -2.732 1.00 0.00 C ATOM 1418 OG SER A 94 5.063 -0.641 -3.830 1.00 0.00 O ATOM 0 H SER A 94 6.333 0.811 -2.750 1.00 0.00 H new ATOM 0 HA SER A 94 4.592 -0.437 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.316 -2.015 -2.949 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.613 -2.216 -2.584 1.00 0.00 H new ATOM 0 HG SER A 94 5.113 -1.160 -4.660 1.00 0.00 H new ATOM 1424 N LYS A 95 5.728 -1.833 0.658 1.00 0.00 N ATOM 1425 CA LYS A 95 6.383 -2.600 1.710 1.00 0.00 C ATOM 1426 C LYS A 95 5.903 -4.048 1.708 1.00 0.00 C ATOM 1427 O LYS A 95 4.974 -4.403 0.983 1.00 0.00 O ATOM 1428 CB LYS A 95 6.113 -1.965 3.076 1.00 0.00 C ATOM 1429 CG LYS A 95 6.615 -0.536 3.193 1.00 0.00 C ATOM 1430 CD LYS A 95 8.071 -0.490 3.626 1.00 0.00 C ATOM 1431 CE LYS A 95 8.765 0.763 3.116 1.00 0.00 C ATOM 1432 NZ LYS A 95 9.362 0.557 1.767 1.00 0.00 N ATOM 0 H LYS A 95 4.745 -1.628 0.836 1.00 0.00 H new ATOM 0 HA LYS A 95 7.456 -2.591 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.040 -1.981 3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.585 -2.571 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.504 -0.031 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.003 0.008 3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.129 -0.522 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.591 -1.372 3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.049 1.583 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.546 1.057 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.127 1.245 1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.746 -0.407 1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.630 0.689 1.040 1.00 0.00 H new ATOM 1446 N SER A 96 6.543 -4.880 2.524 1.00 0.00 N ATOM 1447 CA SER A 96 6.182 -6.290 2.614 1.00 0.00 C ATOM 1448 C SER A 96 5.971 -6.706 4.066 1.00 0.00 C ATOM 1449 O SER A 96 6.679 -6.246 4.964 1.00 0.00 O ATOM 1450 CB SER A 96 7.269 -7.158 1.976 1.00 0.00 C ATOM 1451 OG SER A 96 8.550 -6.574 2.141 1.00 0.00 O ATOM 0 H SER A 96 7.314 -4.602 3.132 1.00 0.00 H new ATOM 0 HA SER A 96 5.247 -6.435 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.257 -8.150 2.427 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.059 -7.288 0.914 1.00 0.00 H new ATOM 0 HG SER A 96 9.227 -7.148 1.726 1.00 0.00 H new ATOM 1457 N ILE A 97 4.994 -7.577 4.290 1.00 0.00 N ATOM 1458 CA ILE A 97 4.690 -8.056 5.633 1.00 0.00 C ATOM 1459 C ILE A 97 4.182 -9.494 5.602 1.00 0.00 C ATOM 1460 O ILE A 97 3.382 -9.864 4.742 1.00 0.00 O ATOM 1461 CB ILE A 97 3.638 -7.167 6.323 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.357 -7.676 7.738 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.357 -7.129 5.503 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.188 -6.989 8.406 1.00 0.00 C ATOM 0 H ILE A 97 4.399 -7.966 3.559 1.00 0.00 H new ATOM 0 HA ILE A 97 5.619 -8.013 6.201 1.00 0.00 H new ATOM 0 HB ILE A 97 4.031 -6.153 6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.163 -8.748 7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.248 -7.536 8.350 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.623 -6.497 6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.570 -6.724 4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.958 -8.139 5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.047 -7.400 9.406 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.387 -5.920 8.478 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.286 -7.151 7.817 1.00 0.00 H new ATOM 1476 N THR A 98 4.651 -10.302 6.548 1.00 0.00 N ATOM 1477 CA THR A 98 4.245 -11.699 6.630 1.00 0.00 C ATOM 1478 C THR A 98 3.042 -11.868 7.552 1.00 0.00 C ATOM 1479 O THR A 98 3.035 -11.371 8.678 1.00 0.00 O ATOM 1480 CB THR A 98 5.395 -12.589 7.137 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.535 -12.450 6.282 1.00 0.00 O ATOM 1482 CG2 THR A 98 4.968 -14.048 7.188 1.00 0.00 C ATOM 0 H THR A 98 5.313 -10.012 7.268 1.00 0.00 H new ATOM 0 HA THR A 98 3.973 -12.009 5.621 1.00 0.00 H new ATOM 0 HB THR A 98 5.656 -12.268 8.145 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.263 -13.018 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.797 -14.657 7.549 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.118 -14.155 7.862 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.683 -14.379 6.189 1.00 0.00 H new ATOM 1490 N THR A 99 2.025 -12.574 7.066 1.00 0.00 N ATOM 1491 CA THR A 99 0.817 -12.809 7.846 1.00 0.00 C ATOM 1492 C THR A 99 1.011 -13.958 8.829 1.00 0.00 C ATOM 1493 O THR A 99 2.061 -14.600 8.847 1.00 0.00 O ATOM 1494 CB THR A 99 -0.386 -13.123 6.937 1.00 0.00 C ATOM 1495 OG1 THR A 99 -0.071 -14.217 6.069 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.771 -11.907 6.109 1.00 0.00 C ATOM 0 H THR A 99 2.015 -12.993 6.136 1.00 0.00 H new ATOM 0 HA THR A 99 0.615 -11.892 8.400 1.00 0.00 H new ATOM 0 HB THR A 99 -1.231 -13.393 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.848 -14.424 5.509 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.623 -12.153 5.475 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.038 -11.085 6.773 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.072 -11.610 5.485 1.00 0.00 H new ATOM 1504 N ILE A 100 -0.007 -14.211 9.644 1.00 0.00 N ATOM 1505 CA ILE A 100 0.052 -15.285 10.628 1.00 0.00 C ATOM 1506 C ILE A 100 -1.317 -15.927 10.824 1.00 0.00 C ATOM 1507 O ILE A 100 -2.342 -15.244 10.823 1.00 0.00 O ATOM 1508 CB ILE A 100 0.566 -14.775 11.987 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.289 -13.604 12.474 1.00 0.00 C ATOM 1510 CG2 ILE A 100 2.027 -14.363 11.880 1.00 0.00 C ATOM 1511 CD1 ILE A 100 0.093 -13.108 13.851 1.00 0.00 C ATOM 0 H ILE A 100 -0.882 -13.687 9.643 1.00 0.00 H new ATOM 0 HA ILE A 100 0.748 -16.030 10.241 1.00 0.00 H new ATOM 0 HB ILE A 100 0.489 -15.583 12.714 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.203 -12.782 11.764 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.336 -13.908 12.484 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.376 -14.005 12.849 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.625 -15.221 11.573 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.128 -13.568 11.141 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.555 -12.277 14.131 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.020 -13.916 14.573 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.130 -12.772 13.842 1.00 0.00 H new ATOM 1523 N LYS A 101 -1.328 -17.245 10.993 1.00 0.00 N ATOM 1524 CA LYS A 101 -2.570 -17.981 11.193 1.00 0.00 C ATOM 1525 C LYS A 101 -2.936 -18.039 12.673 1.00 0.00 C ATOM 1526 O LYS A 101 -2.746 -19.061 13.330 1.00 0.00 O ATOM 1527 CB LYS A 101 -2.443 -19.400 10.633 1.00 0.00 C ATOM 1528 CG LYS A 101 -3.779 -20.077 10.382 1.00 0.00 C ATOM 1529 CD LYS A 101 -4.361 -20.653 11.662 1.00 0.00 C ATOM 1530 CE LYS A 101 -5.396 -21.728 11.368 1.00 0.00 C ATOM 1531 NZ LYS A 101 -6.116 -22.156 12.600 1.00 0.00 N ATOM 0 H LYS A 101 -0.489 -17.826 10.995 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.363 -17.456 10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.882 -19.364 9.699 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.863 -20.006 11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.478 -19.358 9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.652 -20.873 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.560 -21.074 12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.819 -19.855 12.246 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.114 -21.351 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.906 -22.590 10.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.813 -22.889 12.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.434 -22.539 13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.605 -21.339 13.018 1.00 0.00 H new