USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 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 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 68 SER OG : rot -150:sc= -0.173 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -0.9 K(o=-1.1,f=-0.54) USER MOD Set 3.1: A 48 TYR OH : rot 81:sc= -0.327 USER MOD Set 3.2: A 80 MET CE :methyl -149:sc= 0 (180deg=-0.0353) USER MOD Set 4.1: A 42 MET CE :methyl -146:sc= -2.03 (180deg=-0.954) USER MOD Set 4.2: A 61 MET CE :methyl -121:sc= -7.99! (180deg=-11.4!) USER MOD Set 5.1: A 21 ASN : amide:sc= -0.88 K(o=-0.88,f=-3.4!) USER MOD Set 5.2: A 60 GLN : amide:sc= 0 X(o=-0.88,f=-1) USER MOD Set 6.1: A 17 THR OG1 : rot -103:sc= -0.733! USER MOD Set 6.2: A 64 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 85:sc= 0.112 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.35) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 130:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.289 K(o=-0.29,f=-1.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0967 K(o=-0.097,f=-0.78) USER MOD Single : A 44 THR OG1 : rot 79:sc= 0.991 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 17:sc= 1.12 USER MOD Single : A 57 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.17) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 135:sc= -1 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 140:sc= -0.0665 (180deg=-0.468) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.211 9.996 -29.807 1.00 0.00 N ATOM 2 CA GLY A 1 -20.317 10.943 -29.164 1.00 0.00 C ATOM 3 C GLY A 1 -20.392 10.821 -27.640 1.00 0.00 C ATOM 4 O GLY A 1 -21.332 11.316 -27.020 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.141 10.099 -30.840 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.944 9.028 -29.537 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.189 10.182 -29.506 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.294 10.766 -29.497 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.579 11.957 -29.464 1.00 0.00 H new ATOM 8 N SER A 2 -19.390 10.158 -27.081 1.00 0.00 N ATOM 9 CA SER A 2 -19.332 9.965 -25.642 1.00 0.00 C ATOM 10 C SER A 2 -19.347 11.319 -24.931 1.00 0.00 C ATOM 11 O SER A 2 -18.402 12.098 -25.050 1.00 0.00 O ATOM 12 CB SER A 2 -18.086 9.171 -25.244 1.00 0.00 C ATOM 13 OG SER A 2 -18.329 7.766 -25.234 1.00 0.00 O ATOM 0 H SER A 2 -18.612 9.748 -27.598 1.00 0.00 H new ATOM 0 HA SER A 2 -20.208 9.393 -25.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.277 9.394 -25.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.754 9.489 -24.256 1.00 0.00 H new ATOM 0 HG SER A 2 -17.509 7.294 -24.977 1.00 0.00 H new ATOM 19 N SER A 3 -20.431 11.559 -24.208 1.00 0.00 N ATOM 20 CA SER A 3 -20.582 12.806 -23.477 1.00 0.00 C ATOM 21 C SER A 3 -20.089 12.634 -22.039 1.00 0.00 C ATOM 22 O SER A 3 -19.183 13.342 -21.601 1.00 0.00 O ATOM 23 CB SER A 3 -22.038 13.277 -23.486 1.00 0.00 C ATOM 24 OG SER A 3 -22.260 14.310 -24.443 1.00 0.00 O ATOM 0 H SER A 3 -21.213 10.911 -24.113 1.00 0.00 H new ATOM 0 HA SER A 3 -19.979 13.567 -23.972 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.691 12.432 -23.707 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.308 13.638 -22.494 1.00 0.00 H new ATOM 0 HG SER A 3 -23.201 14.582 -24.419 1.00 0.00 H new ATOM 30 N GLY A 4 -20.706 11.689 -21.345 1.00 0.00 N ATOM 31 CA GLY A 4 -20.341 11.415 -19.966 1.00 0.00 C ATOM 32 C GLY A 4 -18.821 11.412 -19.791 1.00 0.00 C ATOM 33 O GLY A 4 -18.276 12.226 -19.048 1.00 0.00 O ATOM 0 H GLY A 4 -21.456 11.104 -21.712 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.784 12.166 -19.313 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.747 10.450 -19.663 1.00 0.00 H new ATOM 37 N SER A 5 -18.179 10.486 -20.489 1.00 0.00 N ATOM 38 CA SER A 5 -16.733 10.366 -20.421 1.00 0.00 C ATOM 39 C SER A 5 -16.091 11.754 -20.447 1.00 0.00 C ATOM 40 O SER A 5 -15.363 12.123 -19.527 1.00 0.00 O ATOM 41 CB SER A 5 -16.196 9.510 -21.570 1.00 0.00 C ATOM 42 OG SER A 5 -15.407 8.420 -21.101 1.00 0.00 O ATOM 0 H SER A 5 -18.634 9.812 -21.104 1.00 0.00 H new ATOM 0 HA SER A 5 -16.475 9.871 -19.485 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.031 9.127 -22.157 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.597 10.131 -22.235 1.00 0.00 H new ATOM 0 HG SER A 5 -15.085 7.897 -21.865 1.00 0.00 H new ATOM 48 N SER A 6 -16.382 12.486 -21.513 1.00 0.00 N ATOM 49 CA SER A 6 -15.842 13.825 -21.672 1.00 0.00 C ATOM 50 C SER A 6 -15.903 14.575 -20.339 1.00 0.00 C ATOM 51 O SER A 6 -14.876 15.013 -19.823 1.00 0.00 O ATOM 52 CB SER A 6 -16.600 14.600 -22.752 1.00 0.00 C ATOM 53 OG SER A 6 -15.756 14.958 -23.843 1.00 0.00 O ATOM 0 H SER A 6 -16.985 12.176 -22.275 1.00 0.00 H new ATOM 0 HA SER A 6 -14.802 13.739 -21.987 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.429 13.995 -23.118 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.031 15.501 -22.316 1.00 0.00 H new ATOM 0 HG SER A 6 -16.277 15.450 -24.512 1.00 0.00 H new ATOM 59 N GLY A 7 -17.116 14.700 -19.821 1.00 0.00 N ATOM 60 CA GLY A 7 -17.323 15.389 -18.559 1.00 0.00 C ATOM 61 C GLY A 7 -16.313 14.924 -17.508 1.00 0.00 C ATOM 62 O GLY A 7 -15.475 15.704 -17.059 1.00 0.00 O ATOM 0 H GLY A 7 -17.965 14.336 -20.252 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.229 16.465 -18.708 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.336 15.204 -18.202 1.00 0.00 H new ATOM 66 N SER A 8 -16.427 13.655 -17.146 1.00 0.00 N ATOM 67 CA SER A 8 -15.534 13.076 -16.156 1.00 0.00 C ATOM 68 C SER A 8 -15.435 13.998 -14.939 1.00 0.00 C ATOM 69 O SER A 8 -14.466 14.743 -14.796 1.00 0.00 O ATOM 70 CB SER A 8 -14.145 12.826 -16.746 1.00 0.00 C ATOM 71 OG SER A 8 -13.904 11.440 -16.973 1.00 0.00 O ATOM 0 H SER A 8 -17.124 13.011 -17.520 1.00 0.00 H new ATOM 0 HA SER A 8 -15.945 12.116 -15.845 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.047 13.370 -17.685 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.387 13.220 -16.069 1.00 0.00 H new ATOM 0 HG SER A 8 -14.276 11.181 -17.842 1.00 0.00 H new ATOM 77 N SER A 9 -16.451 13.918 -14.091 1.00 0.00 N ATOM 78 CA SER A 9 -16.490 14.736 -12.891 1.00 0.00 C ATOM 79 C SER A 9 -15.259 14.456 -12.026 1.00 0.00 C ATOM 80 O SER A 9 -14.488 15.366 -11.725 1.00 0.00 O ATOM 81 CB SER A 9 -17.769 14.480 -12.092 1.00 0.00 C ATOM 82 OG SER A 9 -18.160 15.619 -11.330 1.00 0.00 O ATOM 0 H SER A 9 -17.253 13.299 -14.212 1.00 0.00 H new ATOM 0 HA SER A 9 -16.484 15.784 -13.191 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.574 14.207 -12.774 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.616 13.632 -11.424 1.00 0.00 H new ATOM 0 HG SER A 9 -18.981 15.416 -10.836 1.00 0.00 H new ATOM 88 N PHE A 10 -15.114 13.194 -11.651 1.00 0.00 N ATOM 89 CA PHE A 10 -13.990 12.782 -10.827 1.00 0.00 C ATOM 90 C PHE A 10 -13.892 13.642 -9.565 1.00 0.00 C ATOM 91 O PHE A 10 -14.626 14.618 -9.416 1.00 0.00 O ATOM 92 CB PHE A 10 -12.725 12.981 -11.665 1.00 0.00 C ATOM 93 CG PHE A 10 -12.198 11.697 -12.310 1.00 0.00 C ATOM 94 CD1 PHE A 10 -13.029 10.920 -13.055 1.00 0.00 C ATOM 95 CD2 PHE A 10 -10.899 11.334 -12.138 1.00 0.00 C ATOM 96 CE1 PHE A 10 -12.540 9.729 -13.653 1.00 0.00 C ATOM 97 CE2 PHE A 10 -10.410 10.143 -12.737 1.00 0.00 C ATOM 98 CZ PHE A 10 -11.241 9.365 -13.482 1.00 0.00 C ATOM 0 H PHE A 10 -15.756 12.443 -11.903 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.115 11.744 -10.519 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -12.931 13.711 -12.448 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -11.945 13.404 -11.032 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -14.061 11.209 -13.192 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.239 11.951 -11.546 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.200 9.112 -14.244 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.378 9.855 -12.601 1.00 0.00 H new ATOM 0 HZ PHE A 10 -10.869 8.459 -13.937 1.00 0.00 H new ATOM 108 N GLN A 11 -12.979 13.248 -8.689 1.00 0.00 N ATOM 109 CA GLN A 11 -12.776 13.970 -7.445 1.00 0.00 C ATOM 110 C GLN A 11 -11.494 13.495 -6.759 1.00 0.00 C ATOM 111 O GLN A 11 -11.344 12.309 -6.467 1.00 0.00 O ATOM 112 CB GLN A 11 -13.983 13.816 -6.518 1.00 0.00 C ATOM 113 CG GLN A 11 -14.597 15.178 -6.186 1.00 0.00 C ATOM 114 CD GLN A 11 -15.368 15.124 -4.865 1.00 0.00 C ATOM 115 OE1 GLN A 11 -16.506 14.691 -4.798 1.00 0.00 O ATOM 116 NE2 GLN A 11 -14.686 15.588 -3.822 1.00 0.00 N ATOM 0 H GLN A 11 -12.372 12.438 -8.816 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.670 15.030 -7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.732 13.182 -6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.678 13.317 -5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.810 15.930 -6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.266 15.485 -6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.736 15.936 -3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.113 15.596 -2.896 1.00 0.00 H new ATOM 125 N GLY A 12 -10.601 14.444 -6.521 1.00 0.00 N ATOM 126 CA GLY A 12 -9.336 14.137 -5.875 1.00 0.00 C ATOM 127 C GLY A 12 -9.268 14.761 -4.479 1.00 0.00 C ATOM 128 O GLY A 12 -9.401 15.974 -4.330 1.00 0.00 O ATOM 0 H GLY A 12 -10.728 15.426 -6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.214 13.056 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.512 14.509 -6.484 1.00 0.00 H new ATOM 132 N PRO A 13 -9.056 13.879 -3.466 1.00 0.00 N ATOM 133 CA PRO A 13 -8.969 14.330 -2.087 1.00 0.00 C ATOM 134 C PRO A 13 -7.627 15.015 -1.818 1.00 0.00 C ATOM 135 O PRO A 13 -6.667 14.820 -2.562 1.00 0.00 O ATOM 136 CB PRO A 13 -9.175 13.078 -1.250 1.00 0.00 C ATOM 137 CG PRO A 13 -8.906 11.906 -2.180 1.00 0.00 C ATOM 138 CD PRO A 13 -8.894 12.435 -3.605 1.00 0.00 C ATOM 0 HA PRO A 13 -9.717 15.084 -1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.497 13.063 -0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.189 13.036 -0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.952 11.438 -1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.674 11.142 -2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.961 12.188 -4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.701 12.001 -4.195 1.00 0.00 H new ATOM 146 N LEU A 14 -7.604 15.803 -0.753 1.00 0.00 N ATOM 147 CA LEU A 14 -6.397 16.518 -0.377 1.00 0.00 C ATOM 148 C LEU A 14 -5.502 15.596 0.454 1.00 0.00 C ATOM 149 O LEU A 14 -4.320 15.434 0.152 1.00 0.00 O ATOM 150 CB LEU A 14 -6.748 17.831 0.325 1.00 0.00 C ATOM 151 CG LEU A 14 -7.474 18.874 -0.527 1.00 0.00 C ATOM 152 CD1 LEU A 14 -8.987 18.798 -0.314 1.00 0.00 C ATOM 153 CD2 LEU A 14 -6.927 20.277 -0.260 1.00 0.00 C ATOM 0 H LEU A 14 -8.403 15.962 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.829 16.800 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.369 17.602 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.827 18.276 0.702 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.285 18.650 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.479 19.550 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.345 17.807 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.216 18.983 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.460 20.999 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.066 20.527 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.865 20.306 -0.503 1.00 0.00 H new ATOM 165 N ASP A 15 -6.099 15.016 1.485 1.00 0.00 N ATOM 166 CA ASP A 15 -5.370 14.116 2.362 1.00 0.00 C ATOM 167 C ASP A 15 -4.448 13.229 1.523 1.00 0.00 C ATOM 168 O ASP A 15 -3.238 13.207 1.738 1.00 0.00 O ATOM 169 CB ASP A 15 -6.328 13.205 3.134 1.00 0.00 C ATOM 170 CG ASP A 15 -7.481 13.926 3.835 1.00 0.00 C ATOM 171 OD1 ASP A 15 -8.385 14.390 3.108 1.00 0.00 O ATOM 172 OD2 ASP A 15 -7.432 13.996 5.082 1.00 0.00 O ATOM 0 H ASP A 15 -7.079 15.152 1.732 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.799 14.720 3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.744 12.472 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.758 12.652 3.880 1.00 0.00 H new ATOM 177 N ALA A 16 -5.057 12.519 0.584 1.00 0.00 N ATOM 178 CA ALA A 16 -4.306 11.632 -0.288 1.00 0.00 C ATOM 179 C ALA A 16 -3.907 10.376 0.489 1.00 0.00 C ATOM 180 O ALA A 16 -2.771 9.914 0.389 1.00 0.00 O ATOM 181 CB ALA A 16 -3.094 12.377 -0.853 1.00 0.00 C ATOM 0 H ALA A 16 -6.062 12.540 0.408 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.918 11.316 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.530 11.712 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.432 13.244 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.455 12.707 -0.034 1.00 0.00 H new ATOM 187 N THR A 17 -4.863 9.859 1.246 1.00 0.00 N ATOM 188 CA THR A 17 -4.626 8.665 2.040 1.00 0.00 C ATOM 189 C THR A 17 -5.333 7.460 1.415 1.00 0.00 C ATOM 190 O THR A 17 -6.397 7.603 0.816 1.00 0.00 O ATOM 191 CB THR A 17 -5.072 8.955 3.474 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.156 9.947 3.929 1.00 0.00 O ATOM 193 CG2 THR A 17 -4.834 7.770 4.413 1.00 0.00 C ATOM 0 H THR A 17 -5.804 10.245 1.327 1.00 0.00 H new ATOM 0 HA THR A 17 -3.567 8.406 2.060 1.00 0.00 H new ATOM 0 HB THR A 17 -6.131 9.215 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.488 9.532 4.514 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.168 8.029 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.393 6.905 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.771 7.531 4.435 1.00 0.00 H new ATOM 201 N VAL A 18 -4.712 6.301 1.578 1.00 0.00 N ATOM 202 CA VAL A 18 -5.268 5.072 1.037 1.00 0.00 C ATOM 203 C VAL A 18 -4.926 3.909 1.971 1.00 0.00 C ATOM 204 O VAL A 18 -3.926 3.956 2.686 1.00 0.00 O ATOM 205 CB VAL A 18 -4.770 4.857 -0.393 1.00 0.00 C ATOM 206 CG1 VAL A 18 -5.157 6.034 -1.291 1.00 0.00 C ATOM 207 CG2 VAL A 18 -3.258 4.623 -0.418 1.00 0.00 C ATOM 0 H VAL A 18 -3.830 6.187 2.077 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.355 5.136 0.982 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.254 3.963 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.791 5.856 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.242 6.135 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.714 6.950 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.930 4.473 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.749 5.490 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.017 3.739 0.172 1.00 0.00 H new ATOM 217 N VAL A 19 -5.775 2.893 1.934 1.00 0.00 N ATOM 218 CA VAL A 19 -5.575 1.720 2.767 1.00 0.00 C ATOM 219 C VAL A 19 -4.903 0.621 1.942 1.00 0.00 C ATOM 220 O VAL A 19 -5.171 0.485 0.749 1.00 0.00 O ATOM 221 CB VAL A 19 -6.907 1.279 3.378 1.00 0.00 C ATOM 222 CG1 VAL A 19 -6.730 0.019 4.228 1.00 0.00 C ATOM 223 CG2 VAL A 19 -7.537 2.408 4.195 1.00 0.00 C ATOM 0 H VAL A 19 -6.603 2.858 1.340 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.911 1.952 3.600 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.587 1.039 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.691 -0.273 4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.347 -0.789 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.025 0.220 5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.482 2.068 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.861 2.695 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.717 3.268 3.549 1.00 0.00 H new ATOM 233 N VAL A 20 -4.042 -0.133 2.609 1.00 0.00 N ATOM 234 CA VAL A 20 -3.330 -1.216 1.951 1.00 0.00 C ATOM 235 C VAL A 20 -3.571 -2.519 2.716 1.00 0.00 C ATOM 236 O VAL A 20 -3.526 -2.539 3.945 1.00 0.00 O ATOM 237 CB VAL A 20 -1.846 -0.864 1.824 1.00 0.00 C ATOM 238 CG1 VAL A 20 -1.045 -2.051 1.286 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.649 0.373 0.945 1.00 0.00 C ATOM 0 H VAL A 20 -3.821 -0.016 3.598 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.705 -1.360 0.938 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.471 -0.630 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.006 -1.774 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.146 -2.897 1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.423 -2.329 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.586 0.601 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.048 0.179 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.172 1.221 1.387 1.00 0.00 H new ATOM 249 N ASN A 21 -3.824 -3.575 1.957 1.00 0.00 N ATOM 250 CA ASN A 21 -4.073 -4.879 2.548 1.00 0.00 C ATOM 251 C ASN A 21 -3.412 -5.958 1.688 1.00 0.00 C ATOM 252 O ASN A 21 -2.992 -5.690 0.564 1.00 0.00 O ATOM 253 CB ASN A 21 -5.572 -5.177 2.612 1.00 0.00 C ATOM 254 CG ASN A 21 -6.201 -4.560 3.863 1.00 0.00 C ATOM 255 OD1 ASN A 21 -6.157 -5.115 4.949 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.787 -3.385 3.651 1.00 0.00 N ATOM 0 H ASN A 21 -3.862 -3.554 0.938 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.663 -4.876 3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.063 -4.783 1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.732 -6.255 2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.236 -2.892 4.423 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.787 -2.977 2.716 1.00 0.00 H new ATOM 263 N LEU A 22 -3.341 -7.156 2.251 1.00 0.00 N ATOM 264 CA LEU A 22 -2.738 -8.277 1.550 1.00 0.00 C ATOM 265 C LEU A 22 -3.818 -9.314 1.232 1.00 0.00 C ATOM 266 O LEU A 22 -4.511 -9.788 2.130 1.00 0.00 O ATOM 267 CB LEU A 22 -1.562 -8.839 2.350 1.00 0.00 C ATOM 268 CG LEU A 22 -0.224 -8.119 2.171 1.00 0.00 C ATOM 269 CD1 LEU A 22 -0.366 -6.621 2.450 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.864 -8.762 3.034 1.00 0.00 C ATOM 0 H LEU A 22 -3.691 -7.374 3.184 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.319 -7.951 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.825 -8.818 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.429 -9.885 2.075 1.00 0.00 H new ATOM 0 HG LEU A 22 0.085 -8.225 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.599 -6.133 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.090 -6.189 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.708 -6.472 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.805 -8.231 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.575 -8.707 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.988 -9.806 2.746 1.00 0.00 H new ATOM 282 N GLN A 23 -3.926 -9.634 -0.049 1.00 0.00 N ATOM 283 CA GLN A 23 -4.910 -10.606 -0.496 1.00 0.00 C ATOM 284 C GLN A 23 -4.700 -11.942 0.220 1.00 0.00 C ATOM 285 O GLN A 23 -5.568 -12.394 0.965 1.00 0.00 O ATOM 286 CB GLN A 23 -4.854 -10.784 -2.015 1.00 0.00 C ATOM 287 CG GLN A 23 -5.507 -9.599 -2.730 1.00 0.00 C ATOM 288 CD GLN A 23 -6.727 -10.050 -3.535 1.00 0.00 C ATOM 289 OE1 GLN A 23 -7.499 -10.898 -3.119 1.00 0.00 O ATOM 290 NE2 GLN A 23 -6.857 -9.438 -4.709 1.00 0.00 N ATOM 0 H GLN A 23 -3.349 -9.238 -0.791 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.902 -10.232 -0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.817 -10.880 -2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.361 -11.707 -2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.807 -8.848 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.783 -9.126 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.175 -8.737 -4.997 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.639 -9.670 -5.321 1.00 0.00 H new ATOM 299 N SER A 24 -3.542 -12.536 -0.031 1.00 0.00 N ATOM 300 CA SER A 24 -3.208 -13.811 0.581 1.00 0.00 C ATOM 301 C SER A 24 -1.895 -13.689 1.358 1.00 0.00 C ATOM 302 O SER A 24 -0.856 -14.167 0.907 1.00 0.00 O ATOM 303 CB SER A 24 -3.101 -14.915 -0.472 1.00 0.00 C ATOM 304 OG SER A 24 -4.369 -15.492 -0.772 1.00 0.00 O ATOM 0 H SER A 24 -2.824 -12.158 -0.649 1.00 0.00 H new ATOM 0 HA SER A 24 -4.008 -14.081 1.271 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.664 -14.506 -1.383 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.425 -15.692 -0.115 1.00 0.00 H new ATOM 0 HG SER A 24 -4.258 -16.191 -1.450 1.00 0.00 H new ATOM 310 N PRO A 25 -1.989 -13.031 2.544 1.00 0.00 N ATOM 311 CA PRO A 25 -0.822 -12.841 3.389 1.00 0.00 C ATOM 312 C PRO A 25 -0.443 -14.141 4.101 1.00 0.00 C ATOM 313 O PRO A 25 -1.266 -15.046 4.227 1.00 0.00 O ATOM 314 CB PRO A 25 -1.208 -11.728 4.349 1.00 0.00 C ATOM 315 CG PRO A 25 -2.726 -11.656 4.315 1.00 0.00 C ATOM 316 CD PRO A 25 -3.203 -12.451 3.111 1.00 0.00 C ATOM 0 HA PRO A 25 0.068 -12.568 2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.850 -11.939 5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.765 -10.779 4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.148 -12.064 5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.058 -10.620 4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.912 -13.225 3.404 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.710 -11.810 2.389 1.00 0.00 H new ATOM 324 N THR A 26 0.803 -14.191 4.548 1.00 0.00 N ATOM 325 CA THR A 26 1.301 -15.365 5.245 1.00 0.00 C ATOM 326 C THR A 26 0.990 -15.271 6.740 1.00 0.00 C ATOM 327 O THR A 26 0.566 -14.223 7.224 1.00 0.00 O ATOM 328 CB THR A 26 2.795 -15.496 4.942 1.00 0.00 C ATOM 329 OG1 THR A 26 2.881 -15.321 3.531 1.00 0.00 O ATOM 330 CG2 THR A 26 3.318 -16.916 5.174 1.00 0.00 C ATOM 0 H THR A 26 1.483 -13.438 4.441 1.00 0.00 H new ATOM 0 HA THR A 26 0.803 -16.271 4.899 1.00 0.00 H new ATOM 0 HB THR A 26 3.353 -14.797 5.565 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.568 -14.653 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.383 -16.954 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.161 -17.196 6.216 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.783 -17.611 4.527 1.00 0.00 H new ATOM 338 N LEU A 27 1.212 -16.380 7.429 1.00 0.00 N ATOM 339 CA LEU A 27 0.960 -16.436 8.859 1.00 0.00 C ATOM 340 C LEU A 27 1.575 -15.205 9.529 1.00 0.00 C ATOM 341 O LEU A 27 0.936 -14.563 10.361 1.00 0.00 O ATOM 342 CB LEU A 27 1.454 -17.763 9.439 1.00 0.00 C ATOM 343 CG LEU A 27 0.482 -18.940 9.342 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.842 -19.853 8.169 1.00 0.00 C ATOM 345 CD2 LEU A 27 0.416 -19.706 10.665 1.00 0.00 C ATOM 0 H LEU A 27 1.564 -17.247 7.024 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.111 -16.407 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.378 -18.038 8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.702 -17.608 10.489 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.515 -18.545 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.135 -20.682 8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.797 -19.286 7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.850 -20.243 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.282 -20.538 10.569 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.406 -20.089 10.913 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.077 -19.037 11.456 1.00 0.00 H new ATOM 357 N GLU A 28 2.807 -14.913 9.141 1.00 0.00 N ATOM 358 CA GLU A 28 3.515 -13.771 9.693 1.00 0.00 C ATOM 359 C GLU A 28 2.755 -12.478 9.391 1.00 0.00 C ATOM 360 O GLU A 28 2.659 -11.597 10.243 1.00 0.00 O ATOM 361 CB GLU A 28 4.947 -13.702 9.158 1.00 0.00 C ATOM 362 CG GLU A 28 4.957 -13.519 7.639 1.00 0.00 C ATOM 363 CD GLU A 28 6.195 -14.167 7.017 1.00 0.00 C ATOM 364 OE1 GLU A 28 6.323 -15.402 7.162 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.986 -13.413 6.410 1.00 0.00 O ATOM 0 H GLU A 28 3.334 -15.448 8.450 1.00 0.00 H new ATOM 0 HA GLU A 28 3.571 -13.892 10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.476 -12.875 9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.482 -14.615 9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.057 -13.960 7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.938 -12.456 7.397 1.00 0.00 H new ATOM 372 N GLU A 29 2.233 -12.407 8.175 1.00 0.00 N ATOM 373 CA GLU A 29 1.483 -11.237 7.751 1.00 0.00 C ATOM 374 C GLU A 29 0.116 -11.204 8.436 1.00 0.00 C ATOM 375 O GLU A 29 -0.274 -10.184 9.003 1.00 0.00 O ATOM 376 CB GLU A 29 1.334 -11.204 6.228 1.00 0.00 C ATOM 377 CG GLU A 29 2.635 -10.756 5.559 1.00 0.00 C ATOM 378 CD GLU A 29 2.947 -11.618 4.334 1.00 0.00 C ATOM 379 OE1 GLU A 29 2.020 -11.797 3.515 1.00 0.00 O ATOM 380 OE2 GLU A 29 4.106 -12.079 4.245 1.00 0.00 O ATOM 0 H GLU A 29 2.315 -13.140 7.471 1.00 0.00 H new ATOM 0 HA GLU A 29 2.038 -10.347 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.056 -12.193 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.527 -10.525 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.554 -9.711 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.456 -10.821 6.273 1.00 0.00 H new ATOM 387 N LYS A 30 -0.574 -12.333 8.363 1.00 0.00 N ATOM 388 CA LYS A 30 -1.890 -12.446 8.969 1.00 0.00 C ATOM 389 C LYS A 30 -1.816 -11.987 10.427 1.00 0.00 C ATOM 390 O LYS A 30 -2.741 -11.351 10.929 1.00 0.00 O ATOM 391 CB LYS A 30 -2.438 -13.864 8.798 1.00 0.00 C ATOM 392 CG LYS A 30 -3.266 -14.282 10.015 1.00 0.00 C ATOM 393 CD LYS A 30 -4.362 -15.273 9.618 1.00 0.00 C ATOM 394 CE LYS A 30 -5.118 -15.777 10.849 1.00 0.00 C ATOM 395 NZ LYS A 30 -6.276 -14.902 11.141 1.00 0.00 N ATOM 0 H LYS A 30 -0.247 -13.177 7.894 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.600 -11.791 8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.054 -13.914 7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.613 -14.562 8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.616 -14.734 10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.716 -13.401 10.473 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.059 -14.794 8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.920 -16.117 9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.460 -16.798 10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.448 -15.803 11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.778 -15.258 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.942 -13.934 11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.922 -14.898 10.326 1.00 0.00 H new ATOM 409 N ASN A 31 -0.706 -12.328 11.066 1.00 0.00 N ATOM 410 CA ASN A 31 -0.499 -11.959 12.456 1.00 0.00 C ATOM 411 C ASN A 31 -0.223 -10.457 12.544 1.00 0.00 C ATOM 412 O ASN A 31 -0.757 -9.774 13.418 1.00 0.00 O ATOM 413 CB ASN A 31 0.703 -12.696 13.048 1.00 0.00 C ATOM 414 CG ASN A 31 0.374 -13.258 14.433 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.766 -13.550 14.758 1.00 0.00 O ATOM 416 ND2 ASN A 31 1.431 -13.394 15.227 1.00 0.00 N ATOM 0 H ASN A 31 0.059 -12.856 10.646 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.396 -12.227 13.014 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.000 -13.507 12.384 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.552 -12.016 13.120 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.316 -13.762 16.171 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.358 -13.130 14.892 1.00 0.00 H new ATOM 423 N GLU A 32 0.610 -9.986 11.629 1.00 0.00 N ATOM 424 CA GLU A 32 0.964 -8.577 11.592 1.00 0.00 C ATOM 425 C GLU A 32 1.897 -8.294 10.413 1.00 0.00 C ATOM 426 O GLU A 32 2.839 -9.046 10.168 1.00 0.00 O ATOM 427 CB GLU A 32 1.599 -8.137 12.913 1.00 0.00 C ATOM 428 CG GLU A 32 1.822 -6.623 12.937 1.00 0.00 C ATOM 429 CD GLU A 32 1.148 -5.989 14.155 1.00 0.00 C ATOM 430 OE1 GLU A 32 1.822 -5.923 15.206 1.00 0.00 O ATOM 431 OE2 GLU A 32 -0.026 -5.585 14.009 1.00 0.00 O ATOM 0 H GLU A 32 1.051 -10.555 10.907 1.00 0.00 H new ATOM 0 HA GLU A 32 0.052 -7.997 11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.956 -8.427 13.744 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.550 -8.651 13.052 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.891 -6.409 12.956 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.424 -6.179 12.025 1.00 0.00 H new ATOM 438 N PHE A 33 1.604 -7.207 9.715 1.00 0.00 N ATOM 439 CA PHE A 33 2.405 -6.816 8.568 1.00 0.00 C ATOM 440 C PHE A 33 3.899 -6.911 8.884 1.00 0.00 C ATOM 441 O PHE A 33 4.340 -6.478 9.948 1.00 0.00 O ATOM 442 CB PHE A 33 2.054 -5.360 8.253 1.00 0.00 C ATOM 443 CG PHE A 33 2.086 -5.021 6.761 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.276 -4.937 6.108 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.925 -4.804 6.088 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.306 -4.622 4.724 1.00 0.00 C ATOM 447 CE2 PHE A 33 0.954 -4.489 4.704 1.00 0.00 C ATOM 448 CZ PHE A 33 2.144 -4.405 4.051 1.00 0.00 C ATOM 0 H PHE A 33 0.823 -6.585 9.922 1.00 0.00 H new ATOM 0 HA PHE A 33 2.197 -7.476 7.726 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.059 -5.144 8.643 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.751 -4.707 8.779 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.198 -5.110 6.642 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.020 -4.871 6.606 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.251 -4.555 4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.031 -4.316 4.170 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.166 -4.166 2.998 1.00 0.00 H new ATOM 458 N PRO A 34 4.655 -7.495 7.917 1.00 0.00 N ATOM 459 CA PRO A 34 6.090 -7.652 8.081 1.00 0.00 C ATOM 460 C PRO A 34 6.814 -6.318 7.890 1.00 0.00 C ATOM 461 O PRO A 34 6.299 -5.417 7.229 1.00 0.00 O ATOM 462 CB PRO A 34 6.492 -8.698 7.054 1.00 0.00 C ATOM 463 CG PRO A 34 5.358 -8.747 6.044 1.00 0.00 C ATOM 464 CD PRO A 34 4.166 -8.019 6.644 1.00 0.00 C ATOM 0 HA PRO A 34 6.365 -7.973 9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.433 -8.431 6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.639 -9.670 7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.660 -8.277 5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.097 -9.780 5.813 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.822 -7.217 5.991 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.323 -8.694 6.791 1.00 0.00 H new ATOM 472 N GLU A 35 7.997 -6.232 8.481 1.00 0.00 N ATOM 473 CA GLU A 35 8.796 -5.023 8.384 1.00 0.00 C ATOM 474 C GLU A 35 9.634 -5.042 7.104 1.00 0.00 C ATOM 475 O GLU A 35 10.175 -4.015 6.697 1.00 0.00 O ATOM 476 CB GLU A 35 9.684 -4.852 9.618 1.00 0.00 C ATOM 477 CG GLU A 35 10.594 -6.067 9.812 1.00 0.00 C ATOM 478 CD GLU A 35 11.707 -5.765 10.817 1.00 0.00 C ATOM 479 OE1 GLU A 35 12.415 -4.760 10.593 1.00 0.00 O ATOM 480 OE2 GLU A 35 11.824 -6.545 11.786 1.00 0.00 O ATOM 0 H GLU A 35 8.421 -6.981 9.029 1.00 0.00 H new ATOM 0 HA GLU A 35 8.122 -4.168 8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.290 -3.952 9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.061 -4.715 10.502 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.005 -6.915 10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.031 -6.355 8.856 1.00 0.00 H new ATOM 487 N ASP A 36 9.715 -6.221 6.505 1.00 0.00 N ATOM 488 CA ASP A 36 10.477 -6.387 5.279 1.00 0.00 C ATOM 489 C ASP A 36 9.629 -5.931 4.090 1.00 0.00 C ATOM 490 O ASP A 36 10.165 -5.551 3.051 1.00 0.00 O ATOM 491 CB ASP A 36 10.853 -7.853 5.059 1.00 0.00 C ATOM 492 CG ASP A 36 12.168 -8.078 4.310 1.00 0.00 C ATOM 493 OD1 ASP A 36 12.703 -7.076 3.789 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.608 -9.248 4.276 1.00 0.00 O ATOM 0 H ASP A 36 9.265 -7.071 6.846 1.00 0.00 H new ATOM 0 HA ASP A 36 11.386 -5.791 5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.916 -8.346 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.049 -8.339 4.506 1.00 0.00 H new ATOM 499 N LEU A 37 8.319 -5.986 4.283 1.00 0.00 N ATOM 500 CA LEU A 37 7.392 -5.584 3.240 1.00 0.00 C ATOM 501 C LEU A 37 6.998 -4.120 3.449 1.00 0.00 C ATOM 502 O LEU A 37 6.912 -3.354 2.491 1.00 0.00 O ATOM 503 CB LEU A 37 6.198 -6.540 3.186 1.00 0.00 C ATOM 504 CG LEU A 37 6.526 -8.007 2.900 1.00 0.00 C ATOM 505 CD1 LEU A 37 5.251 -8.846 2.810 1.00 0.00 C ATOM 506 CD2 LEU A 37 7.391 -8.140 1.645 1.00 0.00 C ATOM 0 H LEU A 37 7.878 -6.303 5.146 1.00 0.00 H new ATOM 0 HA LEU A 37 7.868 -5.650 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.671 -6.485 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.509 -6.186 2.419 1.00 0.00 H new ATOM 0 HG LEU A 37 7.108 -8.397 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.512 -9.884 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.709 -8.787 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.621 -8.466 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.610 -9.192 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.856 -7.728 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.324 -7.594 1.787 1.00 0.00 H new ATOM 518 N ARG A 38 6.770 -3.776 4.708 1.00 0.00 N ATOM 519 CA ARG A 38 6.388 -2.418 5.056 1.00 0.00 C ATOM 520 C ARG A 38 7.214 -1.412 4.252 1.00 0.00 C ATOM 521 O ARG A 38 6.715 -0.812 3.301 1.00 0.00 O ATOM 522 CB ARG A 38 6.588 -2.155 6.549 1.00 0.00 C ATOM 523 CG ARG A 38 5.247 -2.124 7.285 1.00 0.00 C ATOM 524 CD ARG A 38 5.225 -3.140 8.429 1.00 0.00 C ATOM 525 NE ARG A 38 4.889 -2.463 9.701 1.00 0.00 N ATOM 526 CZ ARG A 38 5.616 -1.475 10.241 1.00 0.00 C ATOM 527 NH1 ARG A 38 6.723 -1.042 9.623 1.00 0.00 N ATOM 528 NH2 ARG A 38 5.235 -0.919 11.400 1.00 0.00 N ATOM 0 H ARG A 38 6.843 -4.415 5.500 1.00 0.00 H new ATOM 0 HA ARG A 38 5.331 -2.299 4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.224 -2.930 6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.105 -1.206 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.068 -1.124 7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.439 -2.341 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.494 -3.921 8.219 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.197 -3.627 8.512 1.00 0.00 H new ATOM 0 HE ARG A 38 4.052 -2.767 10.198 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.013 -1.464 8.741 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.276 -0.290 10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.392 -1.248 11.871 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.788 -0.167 11.811 1.00 0.00 H new ATOM 542 N THR A 39 8.464 -1.258 4.664 1.00 0.00 N ATOM 543 CA THR A 39 9.364 -0.335 3.994 1.00 0.00 C ATOM 544 C THR A 39 9.203 -0.440 2.476 1.00 0.00 C ATOM 545 O THR A 39 9.053 0.572 1.793 1.00 0.00 O ATOM 546 CB THR A 39 10.786 -0.628 4.476 1.00 0.00 C ATOM 547 OG1 THR A 39 10.822 -0.096 5.797 1.00 0.00 O ATOM 548 CG2 THR A 39 11.840 0.182 3.718 1.00 0.00 C ATOM 0 H THR A 39 8.875 -1.757 5.453 1.00 0.00 H new ATOM 0 HA THR A 39 9.127 0.699 4.243 1.00 0.00 H new ATOM 0 HB THR A 39 10.995 -1.692 4.362 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.709 -0.245 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.831 -0.064 4.099 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.790 -0.059 2.656 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.651 1.246 3.858 1.00 0.00 H new ATOM 556 N GLU A 40 9.239 -1.673 1.993 1.00 0.00 N ATOM 557 CA GLU A 40 9.099 -1.923 0.568 1.00 0.00 C ATOM 558 C GLU A 40 7.809 -1.290 0.043 1.00 0.00 C ATOM 559 O GLU A 40 7.791 -0.724 -1.049 1.00 0.00 O ATOM 560 CB GLU A 40 9.136 -3.423 0.269 1.00 0.00 C ATOM 561 CG GLU A 40 10.228 -3.752 -0.751 1.00 0.00 C ATOM 562 CD GLU A 40 11.503 -4.230 -0.054 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.376 -5.125 0.810 1.00 0.00 O ATOM 564 OE2 GLU A 40 12.576 -3.691 -0.400 1.00 0.00 O ATOM 0 H GLU A 40 9.363 -2.510 2.563 1.00 0.00 H new ATOM 0 HA GLU A 40 9.942 -1.463 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.315 -3.977 1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.167 -3.745 -0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.872 -4.523 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.447 -2.870 -1.352 1.00 0.00 H new ATOM 571 N LEU A 41 6.761 -1.408 0.845 1.00 0.00 N ATOM 572 CA LEU A 41 5.470 -0.854 0.474 1.00 0.00 C ATOM 573 C LEU A 41 5.545 0.674 0.508 1.00 0.00 C ATOM 574 O LEU A 41 5.252 1.336 -0.486 1.00 0.00 O ATOM 575 CB LEU A 41 4.364 -1.435 1.358 1.00 0.00 C ATOM 576 CG LEU A 41 2.985 -1.564 0.708 1.00 0.00 C ATOM 577 CD1 LEU A 41 2.621 -3.033 0.481 1.00 0.00 C ATOM 578 CD2 LEU A 41 1.921 -0.831 1.528 1.00 0.00 C ATOM 0 H LEU A 41 6.779 -1.879 1.750 1.00 0.00 H new ATOM 0 HA LEU A 41 5.214 -1.138 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.678 -2.422 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.269 -0.809 2.245 1.00 0.00 H new ATOM 0 HG LEU A 41 3.023 -1.086 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.636 -3.096 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.360 -3.494 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.607 -3.556 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.950 -0.939 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.876 -1.258 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.178 0.226 1.595 1.00 0.00 H new ATOM 590 N MET A 42 5.941 1.189 1.663 1.00 0.00 N ATOM 591 CA MET A 42 6.059 2.626 1.840 1.00 0.00 C ATOM 592 C MET A 42 6.778 3.268 0.652 1.00 0.00 C ATOM 593 O MET A 42 6.295 4.247 0.085 1.00 0.00 O ATOM 594 CB MET A 42 6.835 2.920 3.126 1.00 0.00 C ATOM 595 CG MET A 42 6.217 2.188 4.319 1.00 0.00 C ATOM 596 SD MET A 42 4.444 2.392 4.308 1.00 0.00 S ATOM 597 CE MET A 42 3.949 0.844 5.046 1.00 0.00 C ATOM 0 H MET A 42 6.184 0.637 2.485 1.00 0.00 H new ATOM 0 HA MET A 42 5.056 3.049 1.905 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.874 2.614 3.006 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.839 3.993 3.315 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.470 1.129 4.277 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.630 2.578 5.249 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.006 0.517 4.608 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.715 0.091 4.861 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.823 0.977 6.120 1.00 0.00 H new ATOM 607 N GLN A 43 7.920 2.690 0.309 1.00 0.00 N ATOM 608 CA GLN A 43 8.710 3.193 -0.802 1.00 0.00 C ATOM 609 C GLN A 43 8.018 2.879 -2.130 1.00 0.00 C ATOM 610 O GLN A 43 7.774 3.777 -2.934 1.00 0.00 O ATOM 611 CB GLN A 43 10.127 2.617 -0.772 1.00 0.00 C ATOM 612 CG GLN A 43 10.842 2.989 0.528 1.00 0.00 C ATOM 613 CD GLN A 43 11.574 4.326 0.389 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.191 4.623 -0.621 1.00 0.00 O ATOM 615 NE2 GLN A 43 11.470 5.113 1.456 1.00 0.00 N ATOM 0 H GLN A 43 8.317 1.878 0.781 1.00 0.00 H new ATOM 0 HA GLN A 43 8.791 4.276 -0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.085 1.532 -0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.694 2.993 -1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.118 3.050 1.341 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.553 2.207 0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.938 4.802 2.269 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.922 6.027 1.461 1.00 0.00 H new ATOM 624 N THR A 44 7.722 1.601 -2.319 1.00 0.00 N ATOM 625 CA THR A 44 7.063 1.158 -3.535 1.00 0.00 C ATOM 626 C THR A 44 5.959 2.139 -3.932 1.00 0.00 C ATOM 627 O THR A 44 5.888 2.567 -5.084 1.00 0.00 O ATOM 628 CB THR A 44 6.556 -0.267 -3.306 1.00 0.00 C ATOM 629 OG1 THR A 44 7.724 -1.075 -3.421 1.00 0.00 O ATOM 630 CG2 THR A 44 5.652 -0.756 -4.439 1.00 0.00 C ATOM 0 H THR A 44 7.927 0.859 -1.650 1.00 0.00 H new ATOM 0 HA THR A 44 7.756 1.141 -4.376 1.00 0.00 H new ATOM 0 HB THR A 44 6.012 -0.311 -2.363 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.238 -1.028 -2.588 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.320 -1.772 -4.227 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.785 -0.101 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.206 -0.744 -5.378 1.00 0.00 H new ATOM 638 N LEU A 45 5.125 2.469 -2.957 1.00 0.00 N ATOM 639 CA LEU A 45 4.028 3.392 -3.190 1.00 0.00 C ATOM 640 C LEU A 45 4.580 4.814 -3.311 1.00 0.00 C ATOM 641 O LEU A 45 4.034 5.635 -4.046 1.00 0.00 O ATOM 642 CB LEU A 45 2.959 3.238 -2.106 1.00 0.00 C ATOM 643 CG LEU A 45 2.637 1.804 -1.681 1.00 0.00 C ATOM 644 CD1 LEU A 45 2.357 1.728 -0.179 1.00 0.00 C ATOM 645 CD2 LEU A 45 1.484 1.232 -2.509 1.00 0.00 C ATOM 0 H LEU A 45 5.187 2.113 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 45 3.530 3.162 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.280 3.794 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.040 3.706 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 45 3.512 1.185 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.131 0.698 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.234 2.067 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.506 2.364 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.276 0.212 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.595 1.846 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.759 1.230 -3.564 1.00 0.00 H new ATOM 657 N GLY A 46 5.657 5.060 -2.578 1.00 0.00 N ATOM 658 CA GLY A 46 6.289 6.368 -2.595 1.00 0.00 C ATOM 659 C GLY A 46 6.640 6.790 -4.023 1.00 0.00 C ATOM 660 O GLY A 46 6.258 7.871 -4.467 1.00 0.00 O ATOM 0 H GLY A 46 6.107 4.376 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.621 7.104 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.193 6.347 -1.986 1.00 0.00 H new ATOM 664 N SER A 47 7.366 5.914 -4.703 1.00 0.00 N ATOM 665 CA SER A 47 7.773 6.182 -6.071 1.00 0.00 C ATOM 666 C SER A 47 6.651 6.905 -6.819 1.00 0.00 C ATOM 667 O SER A 47 6.820 8.047 -7.245 1.00 0.00 O ATOM 668 CB SER A 47 8.147 4.889 -6.798 1.00 0.00 C ATOM 669 OG SER A 47 8.463 5.118 -8.168 1.00 0.00 O ATOM 0 H SER A 47 7.682 5.018 -4.331 1.00 0.00 H new ATOM 0 HA SER A 47 8.655 6.821 -6.046 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.001 4.428 -6.301 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.319 4.183 -6.730 1.00 0.00 H new ATOM 0 HG SER A 47 8.698 4.268 -8.596 1.00 0.00 H new ATOM 675 N TYR A 48 5.531 6.211 -6.956 1.00 0.00 N ATOM 676 CA TYR A 48 4.382 6.772 -7.646 1.00 0.00 C ATOM 677 C TYR A 48 4.166 8.234 -7.250 1.00 0.00 C ATOM 678 O TYR A 48 4.225 9.126 -8.095 1.00 0.00 O ATOM 679 CB TYR A 48 3.174 5.950 -7.192 1.00 0.00 C ATOM 680 CG TYR A 48 3.251 4.470 -7.573 1.00 0.00 C ATOM 681 CD1 TYR A 48 3.874 3.572 -6.731 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.696 4.034 -8.759 1.00 0.00 C ATOM 683 CE1 TYR A 48 3.946 2.179 -7.090 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.768 2.641 -9.118 1.00 0.00 C ATOM 685 CZ TYR A 48 3.389 1.782 -8.265 1.00 0.00 C ATOM 686 OH TYR A 48 3.457 0.467 -8.604 1.00 0.00 O ATOM 0 H TYR A 48 5.395 5.265 -6.601 1.00 0.00 H new ATOM 0 HA TYR A 48 4.529 6.738 -8.726 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.078 6.032 -6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.271 6.380 -7.625 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.308 3.914 -5.803 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.208 4.737 -9.418 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.432 1.466 -6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.339 2.286 -10.043 1.00 0.00 H new ATOM 0 HH TYR A 48 2.756 -0.029 -8.132 1.00 0.00 H new ATOM 696 N GLY A 49 3.920 8.436 -5.963 1.00 0.00 N ATOM 697 CA GLY A 49 3.695 9.774 -5.445 1.00 0.00 C ATOM 698 C GLY A 49 4.814 10.187 -4.487 1.00 0.00 C ATOM 699 O GLY A 49 5.984 10.211 -4.867 1.00 0.00 O ATOM 0 H GLY A 49 3.872 7.695 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.639 10.483 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.736 9.811 -4.927 1.00 0.00 H new ATOM 703 N THR A 50 4.416 10.501 -3.263 1.00 0.00 N ATOM 704 CA THR A 50 5.371 10.911 -2.247 1.00 0.00 C ATOM 705 C THR A 50 4.787 10.697 -0.849 1.00 0.00 C ATOM 706 O THR A 50 3.818 11.354 -0.470 1.00 0.00 O ATOM 707 CB THR A 50 5.763 12.363 -2.527 1.00 0.00 C ATOM 708 OG1 THR A 50 6.864 12.259 -3.425 1.00 0.00 O ATOM 709 CG2 THR A 50 6.351 13.058 -1.296 1.00 0.00 C ATOM 0 H THR A 50 3.445 10.480 -2.952 1.00 0.00 H new ATOM 0 HA THR A 50 6.274 10.302 -2.283 1.00 0.00 H new ATOM 0 HB THR A 50 4.889 12.914 -2.873 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.882 11.361 -3.817 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.613 14.086 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.615 13.058 -0.492 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.245 12.526 -0.970 1.00 0.00 H new ATOM 717 N ILE A 51 5.401 9.777 -0.121 1.00 0.00 N ATOM 718 CA ILE A 51 4.955 9.468 1.227 1.00 0.00 C ATOM 719 C ILE A 51 5.103 10.712 2.106 1.00 0.00 C ATOM 720 O ILE A 51 6.218 11.160 2.371 1.00 0.00 O ATOM 721 CB ILE A 51 5.692 8.242 1.768 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.439 7.017 0.886 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.325 7.981 3.230 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.016 6.488 1.079 1.00 0.00 C ATOM 0 H ILE A 51 6.204 9.235 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 51 3.898 9.201 1.226 1.00 0.00 H new ATOM 0 HB ILE A 51 6.762 8.446 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.595 7.279 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.158 6.235 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.863 7.104 3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.598 8.847 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.252 7.806 3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.862 5.618 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.872 6.204 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.300 7.265 0.812 1.00 0.00 H new ATOM 736 N VAL A 52 3.963 11.234 2.533 1.00 0.00 N ATOM 737 CA VAL A 52 3.952 12.418 3.377 1.00 0.00 C ATOM 738 C VAL A 52 3.437 12.042 4.768 1.00 0.00 C ATOM 739 O VAL A 52 3.501 12.847 5.695 1.00 0.00 O ATOM 740 CB VAL A 52 3.131 13.525 2.714 1.00 0.00 C ATOM 741 CG1 VAL A 52 3.633 13.807 1.296 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.641 13.174 2.708 1.00 0.00 C ATOM 0 H VAL A 52 3.041 10.860 2.311 1.00 0.00 H new ATOM 0 HA VAL A 52 4.962 12.810 3.499 1.00 0.00 H new ATOM 0 HB VAL A 52 3.259 14.434 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.032 14.598 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.676 14.122 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.549 12.902 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.080 13.978 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.488 12.247 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.293 13.047 3.733 1.00 0.00 H new ATOM 752 N LEU A 53 2.938 10.819 4.869 1.00 0.00 N ATOM 753 CA LEU A 53 2.412 10.327 6.131 1.00 0.00 C ATOM 754 C LEU A 53 1.998 8.863 5.970 1.00 0.00 C ATOM 755 O LEU A 53 1.580 8.448 4.890 1.00 0.00 O ATOM 756 CB LEU A 53 1.286 11.234 6.632 1.00 0.00 C ATOM 757 CG LEU A 53 1.366 11.653 8.101 1.00 0.00 C ATOM 758 CD1 LEU A 53 1.772 10.473 8.986 1.00 0.00 C ATOM 759 CD2 LEU A 53 2.299 12.851 8.279 1.00 0.00 C ATOM 0 H LEU A 53 2.887 10.154 4.097 1.00 0.00 H new ATOM 0 HA LEU A 53 3.181 10.358 6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.271 12.135 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.336 10.723 6.472 1.00 0.00 H new ATOM 0 HG LEU A 53 0.373 11.969 8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.822 10.798 10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.035 9.676 8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.749 10.104 8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.338 13.129 9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.299 12.587 7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.926 13.693 7.696 1.00 0.00 H new ATOM 771 N VAL A 54 2.127 8.121 7.060 1.00 0.00 N ATOM 772 CA VAL A 54 1.771 6.713 7.053 1.00 0.00 C ATOM 773 C VAL A 54 1.330 6.296 8.458 1.00 0.00 C ATOM 774 O VAL A 54 1.904 6.741 9.450 1.00 0.00 O ATOM 775 CB VAL A 54 2.940 5.880 6.522 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.281 6.271 5.082 1.00 0.00 C ATOM 777 CG2 VAL A 54 4.164 6.011 7.431 1.00 0.00 C ATOM 0 H VAL A 54 2.473 8.469 7.954 1.00 0.00 H new ATOM 0 HA VAL A 54 0.931 6.535 6.382 1.00 0.00 H new ATOM 0 HB VAL A 54 2.634 4.834 6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.115 5.665 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.413 6.103 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.558 7.325 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.980 5.409 7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.472 7.055 7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.913 5.662 8.432 1.00 0.00 H new ATOM 787 N ARG A 55 0.314 5.446 8.496 1.00 0.00 N ATOM 788 CA ARG A 55 -0.211 4.964 9.763 1.00 0.00 C ATOM 789 C ARG A 55 -0.710 3.526 9.617 1.00 0.00 C ATOM 790 O ARG A 55 -1.710 3.277 8.945 1.00 0.00 O ATOM 791 CB ARG A 55 -1.359 5.848 10.255 1.00 0.00 C ATOM 792 CG ARG A 55 -1.582 5.669 11.758 1.00 0.00 C ATOM 793 CD ARG A 55 -2.912 4.966 12.035 1.00 0.00 C ATOM 794 NE ARG A 55 -2.999 4.591 13.464 1.00 0.00 N ATOM 795 CZ ARG A 55 -3.245 5.460 14.454 1.00 0.00 C ATOM 796 NH1 ARG A 55 -3.430 6.758 14.177 1.00 0.00 N ATOM 797 NH2 ARG A 55 -3.307 5.031 15.722 1.00 0.00 N ATOM 0 H ARG A 55 -0.159 5.079 7.670 1.00 0.00 H new ATOM 0 HA ARG A 55 0.598 4.999 10.493 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.137 6.893 10.038 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.273 5.598 9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.764 5.088 12.184 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.572 6.642 12.249 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.741 5.622 11.772 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.999 4.076 11.411 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.863 3.611 13.711 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.384 7.085 13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.617 7.419 14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.167 4.043 15.934 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.494 5.692 16.476 1.00 0.00 H new ATOM 811 N ILE A 56 0.008 2.616 10.258 1.00 0.00 N ATOM 812 CA ILE A 56 -0.350 1.208 10.209 1.00 0.00 C ATOM 813 C ILE A 56 -1.466 0.935 11.218 1.00 0.00 C ATOM 814 O ILE A 56 -1.410 1.404 12.354 1.00 0.00 O ATOM 815 CB ILE A 56 0.889 0.333 10.409 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.496 -0.075 9.065 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.568 -0.880 11.285 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.620 -1.094 9.258 1.00 0.00 C ATOM 0 H ILE A 56 0.837 2.826 10.815 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.740 0.948 9.225 1.00 0.00 H new ATOM 0 HB ILE A 56 1.641 0.921 10.936 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.722 -0.499 8.426 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.883 0.807 8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.466 -1.485 11.411 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.218 -0.542 12.260 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.209 -1.478 10.808 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.034 -1.367 8.287 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.404 -0.658 9.877 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.224 -1.984 9.747 1.00 0.00 H new ATOM 830 N ASN A 57 -2.455 0.176 10.768 1.00 0.00 N ATOM 831 CA ASN A 57 -3.582 -0.166 11.618 1.00 0.00 C ATOM 832 C ASN A 57 -3.389 -1.580 12.170 1.00 0.00 C ATOM 833 O ASN A 57 -2.797 -2.432 11.510 1.00 0.00 O ATOM 834 CB ASN A 57 -4.894 -0.141 10.830 1.00 0.00 C ATOM 835 CG ASN A 57 -6.004 0.538 11.634 1.00 0.00 C ATOM 836 OD1 ASN A 57 -6.383 1.670 11.384 1.00 0.00 O ATOM 837 ND2 ASN A 57 -6.502 -0.215 12.611 1.00 0.00 N ATOM 0 H ASN A 57 -2.499 -0.212 9.825 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.631 0.567 12.424 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.747 0.388 9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.192 -1.159 10.580 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.247 0.148 13.205 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.138 -1.155 12.766 1.00 0.00 H new ATOM 844 N GLN A 58 -3.901 -1.785 13.375 1.00 0.00 N ATOM 845 CA GLN A 58 -3.793 -3.081 14.023 1.00 0.00 C ATOM 846 C GLN A 58 -3.752 -4.196 12.976 1.00 0.00 C ATOM 847 O GLN A 58 -2.939 -5.114 13.073 1.00 0.00 O ATOM 848 CB GLN A 58 -4.941 -3.298 15.011 1.00 0.00 C ATOM 849 CG GLN A 58 -4.408 -3.627 16.407 1.00 0.00 C ATOM 850 CD GLN A 58 -4.802 -2.543 17.413 1.00 0.00 C ATOM 851 OE1 GLN A 58 -4.176 -1.502 17.520 1.00 0.00 O ATOM 852 NE2 GLN A 58 -5.872 -2.846 18.143 1.00 0.00 N ATOM 0 H GLN A 58 -4.392 -1.075 13.919 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.862 -3.106 14.589 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.561 -2.403 15.056 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.579 -4.110 14.661 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.800 -4.590 16.732 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.322 -3.720 16.373 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.350 -3.736 18.002 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.215 -2.188 18.843 1.00 0.00 H new ATOM 861 N GLY A 59 -4.639 -4.080 11.999 1.00 0.00 N ATOM 862 CA GLY A 59 -4.715 -5.067 10.936 1.00 0.00 C ATOM 863 C GLY A 59 -4.934 -4.395 9.579 1.00 0.00 C ATOM 864 O GLY A 59 -5.807 -4.803 8.814 1.00 0.00 O ATOM 0 H GLY A 59 -5.312 -3.317 11.921 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.796 -5.652 10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.530 -5.762 11.138 1.00 0.00 H new ATOM 868 N GLN A 60 -4.126 -3.377 9.321 1.00 0.00 N ATOM 869 CA GLN A 60 -4.221 -2.645 8.070 1.00 0.00 C ATOM 870 C GLN A 60 -3.061 -1.655 7.945 1.00 0.00 C ATOM 871 O GLN A 60 -2.169 -1.628 8.791 1.00 0.00 O ATOM 872 CB GLN A 60 -5.568 -1.929 7.954 1.00 0.00 C ATOM 873 CG GLN A 60 -6.390 -2.489 6.792 1.00 0.00 C ATOM 874 CD GLN A 60 -7.886 -2.269 7.021 1.00 0.00 C ATOM 875 OE1 GLN A 60 -8.317 -1.259 7.552 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.652 -3.269 6.594 1.00 0.00 N ATOM 0 H GLN A 60 -3.403 -3.042 9.957 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.155 -3.358 7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.124 -2.041 8.885 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.405 -0.861 7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.086 -2.008 5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.189 -3.554 6.680 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.227 -4.087 6.158 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.665 -3.218 6.703 1.00 0.00 H new ATOM 885 N MET A 61 -3.111 -0.865 6.882 1.00 0.00 N ATOM 886 CA MET A 61 -2.076 0.124 6.636 1.00 0.00 C ATOM 887 C MET A 61 -2.636 1.324 5.869 1.00 0.00 C ATOM 888 O MET A 61 -3.231 1.163 4.805 1.00 0.00 O ATOM 889 CB MET A 61 -0.942 -0.513 5.830 1.00 0.00 C ATOM 890 CG MET A 61 0.071 0.541 5.380 1.00 0.00 C ATOM 891 SD MET A 61 0.353 1.717 6.694 1.00 0.00 S ATOM 892 CE MET A 61 1.612 2.731 5.937 1.00 0.00 C ATOM 0 H MET A 61 -3.852 -0.890 6.182 1.00 0.00 H new ATOM 0 HA MET A 61 -1.699 0.474 7.597 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.441 -1.269 6.435 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.353 -1.023 4.959 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.009 0.061 5.103 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.297 1.056 4.493 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.511 2.715 6.553 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.844 2.343 4.945 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.250 3.756 5.850 1.00 0.00 H new ATOM 902 N LEU A 62 -2.424 2.501 6.439 1.00 0.00 N ATOM 903 CA LEU A 62 -2.900 3.728 5.823 1.00 0.00 C ATOM 904 C LEU A 62 -1.705 4.528 5.301 1.00 0.00 C ATOM 905 O LEU A 62 -0.900 5.031 6.084 1.00 0.00 O ATOM 906 CB LEU A 62 -3.785 4.509 6.796 1.00 0.00 C ATOM 907 CG LEU A 62 -5.175 3.923 7.056 1.00 0.00 C ATOM 908 CD1 LEU A 62 -5.193 3.107 8.349 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.240 5.021 7.056 1.00 0.00 C ATOM 0 H LEU A 62 -1.929 2.631 7.321 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.533 3.502 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.262 4.588 7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.905 5.523 6.413 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.416 3.240 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.192 2.702 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.478 2.288 8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.922 3.748 9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.219 4.579 7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.015 5.747 7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.247 5.521 6.088 1.00 0.00 H new ATOM 921 N VAL A 63 -1.626 4.622 3.982 1.00 0.00 N ATOM 922 CA VAL A 63 -0.543 5.352 3.347 1.00 0.00 C ATOM 923 C VAL A 63 -1.069 6.695 2.836 1.00 0.00 C ATOM 924 O VAL A 63 -2.138 6.756 2.229 1.00 0.00 O ATOM 925 CB VAL A 63 0.088 4.499 2.244 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.286 5.214 1.616 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.490 3.123 2.779 1.00 0.00 C ATOM 0 H VAL A 63 -2.295 4.204 3.335 1.00 0.00 H new ATOM 0 HA VAL A 63 0.247 5.565 4.067 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.660 4.351 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.716 4.586 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.959 6.159 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.037 5.406 2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.936 2.536 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.214 3.243 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.393 2.608 3.158 1.00 0.00 H new ATOM 937 N THR A 64 -0.295 7.737 3.100 1.00 0.00 N ATOM 938 CA THR A 64 -0.670 9.075 2.674 1.00 0.00 C ATOM 939 C THR A 64 0.362 9.631 1.692 1.00 0.00 C ATOM 940 O THR A 64 1.558 9.378 1.833 1.00 0.00 O ATOM 941 CB THR A 64 -0.845 9.938 3.926 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.784 9.214 4.717 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.550 11.263 3.630 1.00 0.00 C ATOM 0 H THR A 64 0.590 7.682 3.604 1.00 0.00 H new ATOM 0 HA THR A 64 -1.616 9.067 2.132 1.00 0.00 H new ATOM 0 HB THR A 64 0.131 10.138 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.955 9.702 5.550 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.649 11.836 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.965 11.833 2.909 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.540 11.065 3.218 1.00 0.00 H new ATOM 951 N PHE A 65 -0.137 10.379 0.719 1.00 0.00 N ATOM 952 CA PHE A 65 0.727 10.974 -0.287 1.00 0.00 C ATOM 953 C PHE A 65 0.577 12.496 -0.308 1.00 0.00 C ATOM 954 O PHE A 65 -0.137 13.065 0.517 1.00 0.00 O ATOM 955 CB PHE A 65 0.291 10.411 -1.641 1.00 0.00 C ATOM 956 CG PHE A 65 0.394 8.888 -1.745 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.547 8.314 -2.183 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.665 8.110 -1.399 1.00 0.00 C ATOM 959 CE1 PHE A 65 1.643 6.900 -2.280 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.569 6.696 -1.496 1.00 0.00 C ATOM 961 CZ PHE A 65 0.583 6.121 -1.934 1.00 0.00 C ATOM 0 H PHE A 65 -1.129 10.587 0.606 1.00 0.00 H new ATOM 0 HA PHE A 65 1.769 10.742 -0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.740 10.709 -1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.902 10.860 -2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.389 8.933 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.580 8.567 -1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.558 6.444 -2.628 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.411 6.078 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.656 5.046 -2.007 1.00 0.00 H new ATOM 971 N ALA A 66 1.262 13.113 -1.259 1.00 0.00 N ATOM 972 CA ALA A 66 1.214 14.559 -1.399 1.00 0.00 C ATOM 973 C ALA A 66 0.119 14.934 -2.399 1.00 0.00 C ATOM 974 O ALA A 66 -0.594 15.918 -2.204 1.00 0.00 O ATOM 975 CB ALA A 66 2.591 15.077 -1.820 1.00 0.00 C ATOM 0 H ALA A 66 1.854 12.638 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 66 0.966 15.029 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.555 16.161 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.328 14.810 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.872 14.629 -2.773 1.00 0.00 H new ATOM 981 N ASP A 67 0.019 14.131 -3.448 1.00 0.00 N ATOM 982 CA ASP A 67 -0.977 14.367 -4.479 1.00 0.00 C ATOM 983 C ASP A 67 -2.012 13.241 -4.448 1.00 0.00 C ATOM 984 O ASP A 67 -1.828 12.242 -3.755 1.00 0.00 O ATOM 985 CB ASP A 67 -0.338 14.384 -5.869 1.00 0.00 C ATOM 986 CG ASP A 67 -0.481 15.703 -6.631 1.00 0.00 C ATOM 987 OD1 ASP A 67 -0.070 16.736 -6.060 1.00 0.00 O ATOM 988 OD2 ASP A 67 -0.999 15.648 -7.767 1.00 0.00 O ATOM 0 H ASP A 67 0.612 13.316 -3.606 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.442 15.334 -4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.723 14.154 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.782 13.587 -6.466 1.00 0.00 H new ATOM 993 N SER A 68 -3.079 13.440 -5.209 1.00 0.00 N ATOM 994 CA SER A 68 -4.143 12.454 -5.278 1.00 0.00 C ATOM 995 C SER A 68 -3.922 11.527 -6.476 1.00 0.00 C ATOM 996 O SER A 68 -3.976 10.306 -6.339 1.00 0.00 O ATOM 997 CB SER A 68 -5.513 13.128 -5.375 1.00 0.00 C ATOM 998 OG SER A 68 -5.701 13.780 -6.628 1.00 0.00 O ATOM 0 H SER A 68 -3.229 14.270 -5.783 1.00 0.00 H new ATOM 0 HA SER A 68 -4.122 11.864 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.295 12.382 -5.234 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.617 13.855 -4.569 1.00 0.00 H new ATOM 0 HG SER A 68 -6.297 14.549 -6.510 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.678 12.144 -7.623 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.449 11.390 -8.844 1.00 0.00 C ATOM 1006 C HIS A 69 -2.581 10.168 -8.536 1.00 0.00 C ATOM 1007 O HIS A 69 -2.903 9.054 -8.948 1.00 0.00 O ATOM 1008 CB HIS A 69 -2.849 12.285 -9.930 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.454 13.667 -9.990 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -2.746 14.777 -10.415 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -4.707 14.106 -9.677 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -3.545 15.832 -10.354 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -4.760 15.414 -9.896 1.00 0.00 N ATOM 0 H HIS A 69 -3.634 13.157 -7.733 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.399 11.028 -9.237 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.776 12.376 -9.760 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.978 11.801 -10.898 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.518 13.493 -9.313 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.281 16.845 -10.620 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.575 16.009 -9.746 1.00 0.00 H new ATOM 1021 N SER A 70 -1.498 10.417 -7.815 1.00 0.00 N ATOM 1022 CA SER A 70 -0.582 9.351 -7.448 1.00 0.00 C ATOM 1023 C SER A 70 -1.349 8.210 -6.776 1.00 0.00 C ATOM 1024 O SER A 70 -1.470 7.123 -7.338 1.00 0.00 O ATOM 1025 CB SER A 70 0.521 9.867 -6.522 1.00 0.00 C ATOM 1026 OG SER A 70 1.563 10.517 -7.243 1.00 0.00 O ATOM 0 H SER A 70 -1.234 11.342 -7.475 1.00 0.00 H new ATOM 0 HA SER A 70 -0.110 8.977 -8.357 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.092 10.562 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.937 9.034 -5.955 1.00 0.00 H new ATOM 0 HG SER A 70 1.801 11.353 -6.791 1.00 0.00 H new ATOM 1032 N ALA A 71 -1.847 8.497 -5.582 1.00 0.00 N ATOM 1033 CA ALA A 71 -2.598 7.509 -4.828 1.00 0.00 C ATOM 1034 C ALA A 71 -3.537 6.757 -5.773 1.00 0.00 C ATOM 1035 O ALA A 71 -3.778 5.564 -5.596 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.350 8.199 -3.688 1.00 0.00 C ATOM 0 H ALA A 71 -1.745 9.400 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.926 6.777 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.914 7.457 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.637 8.693 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.036 8.939 -4.100 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.042 7.486 -6.758 1.00 0.00 N ATOM 1043 CA LEU A 72 -4.949 6.903 -7.732 1.00 0.00 C ATOM 1044 C LEU A 72 -4.197 5.863 -8.564 1.00 0.00 C ATOM 1045 O LEU A 72 -4.634 4.719 -8.676 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.611 7.999 -8.570 1.00 0.00 C ATOM 1047 CG LEU A 72 -5.719 7.722 -10.071 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -6.674 6.559 -10.346 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -6.121 8.986 -10.834 1.00 0.00 C ATOM 0 H LEU A 72 -3.840 8.475 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.764 6.381 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.614 8.172 -8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.051 8.924 -8.431 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.736 7.425 -10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.733 6.383 -11.420 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.306 5.661 -9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.665 6.804 -9.964 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.191 8.762 -11.898 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.088 9.337 -10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.371 9.761 -10.675 1.00 0.00 H new ATOM 1061 N SER A 73 -3.078 6.297 -9.126 1.00 0.00 N ATOM 1062 CA SER A 73 -2.261 5.417 -9.944 1.00 0.00 C ATOM 1063 C SER A 73 -1.928 4.141 -9.168 1.00 0.00 C ATOM 1064 O SER A 73 -2.209 3.037 -9.632 1.00 0.00 O ATOM 1065 CB SER A 73 -0.977 6.117 -10.392 1.00 0.00 C ATOM 1066 OG SER A 73 -0.958 6.351 -11.797 1.00 0.00 O ATOM 0 H SER A 73 -2.718 7.247 -9.031 1.00 0.00 H new ATOM 0 HA SER A 73 -2.829 5.154 -10.836 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.879 7.066 -9.865 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.117 5.508 -10.114 1.00 0.00 H new ATOM 0 HG SER A 73 -0.123 6.801 -12.042 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.333 4.335 -8.001 1.00 0.00 N ATOM 1073 CA VAL A 74 -0.958 3.214 -7.156 1.00 0.00 C ATOM 1074 C VAL A 74 -2.216 2.440 -6.755 1.00 0.00 C ATOM 1075 O VAL A 74 -2.181 1.218 -6.622 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.153 3.710 -5.954 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.921 4.789 -5.187 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.229 2.549 -5.033 1.00 0.00 C ATOM 0 H VAL A 74 -1.101 5.252 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.312 2.525 -7.700 1.00 0.00 H new ATOM 0 HB VAL A 74 0.768 4.157 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.326 5.124 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.119 5.633 -5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.865 4.379 -4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.801 2.929 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.675 2.060 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.834 1.830 -5.586 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.297 3.185 -6.574 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.563 2.584 -6.191 1.00 0.00 C ATOM 1090 C LEU A 75 -4.928 1.489 -7.195 1.00 0.00 C ATOM 1091 O LEU A 75 -5.314 0.388 -6.806 1.00 0.00 O ATOM 1092 CB LEU A 75 -5.641 3.659 -6.034 1.00 0.00 C ATOM 1093 CG LEU A 75 -5.902 4.144 -4.607 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -6.741 5.423 -4.608 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.540 3.041 -3.761 1.00 0.00 C ATOM 0 H LEU A 75 -3.322 4.199 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.478 2.106 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.360 4.518 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.575 3.271 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.944 4.388 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.912 5.747 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.211 6.205 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.698 5.230 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.715 3.412 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.489 2.743 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.872 2.181 -3.721 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.793 1.830 -8.469 1.00 0.00 N ATOM 1108 CA ASP A 76 -5.104 0.890 -9.532 1.00 0.00 C ATOM 1109 C ASP A 76 -3.958 -0.115 -9.669 1.00 0.00 C ATOM 1110 O ASP A 76 -4.171 -1.322 -9.568 1.00 0.00 O ATOM 1111 CB ASP A 76 -5.266 1.608 -10.873 1.00 0.00 C ATOM 1112 CG ASP A 76 -6.434 2.594 -10.942 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -6.603 3.344 -9.956 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -7.133 2.574 -11.978 1.00 0.00 O ATOM 0 H ASP A 76 -4.472 2.744 -8.788 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.038 0.389 -9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.344 2.145 -11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.395 0.860 -11.655 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.768 0.421 -9.898 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.589 -0.414 -10.051 1.00 0.00 C ATOM 1121 C VAL A 77 -1.500 -1.384 -8.871 1.00 0.00 C ATOM 1122 O VAL A 77 -0.861 -2.431 -8.970 1.00 0.00 O ATOM 1123 CB VAL A 77 -0.343 0.462 -10.199 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.932 -0.378 -10.107 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -0.384 1.255 -11.507 1.00 0.00 C ATOM 0 H VAL A 77 -2.595 1.423 -9.981 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.660 -1.012 -10.960 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.334 1.175 -9.374 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.803 0.269 -10.215 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.969 -0.878 -9.139 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.934 -1.125 -10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.513 1.870 -11.588 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.428 0.565 -12.350 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.265 1.896 -11.516 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.150 -1.002 -7.781 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.152 -1.825 -6.584 1.00 0.00 C ATOM 1137 C ASP A 78 -2.202 -3.301 -6.984 1.00 0.00 C ATOM 1138 O ASP A 78 -1.573 -4.143 -6.346 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.376 -1.529 -5.715 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.682 -2.160 -6.201 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.959 -2.029 -7.413 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.375 -2.759 -5.350 1.00 0.00 O ATOM 0 H ASP A 78 -2.679 -0.133 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.246 -1.602 -6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.176 -1.878 -4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.511 -0.449 -5.659 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.957 -3.569 -8.040 1.00 0.00 N ATOM 1148 CA GLY A 79 -3.097 -4.928 -8.533 1.00 0.00 C ATOM 1149 C GLY A 79 -1.773 -5.688 -8.431 1.00 0.00 C ATOM 1150 O GLY A 79 -1.764 -6.906 -8.259 1.00 0.00 O ATOM 0 H GLY A 79 -3.478 -2.868 -8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.864 -5.449 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.431 -4.910 -9.570 1.00 0.00 H new ATOM 1154 N MET A 80 -0.687 -4.938 -8.540 1.00 0.00 N ATOM 1155 CA MET A 80 0.640 -5.526 -8.462 1.00 0.00 C ATOM 1156 C MET A 80 0.778 -6.404 -7.217 1.00 0.00 C ATOM 1157 O MET A 80 -0.073 -6.367 -6.329 1.00 0.00 O ATOM 1158 CB MET A 80 1.689 -4.413 -8.421 1.00 0.00 C ATOM 1159 CG MET A 80 1.677 -3.697 -7.069 1.00 0.00 C ATOM 1160 SD MET A 80 1.316 -1.964 -7.299 1.00 0.00 S ATOM 1161 CE MET A 80 1.929 -1.312 -5.754 1.00 0.00 C ATOM 0 H MET A 80 -0.698 -3.928 -8.682 1.00 0.00 H new ATOM 0 HA MET A 80 0.793 -6.150 -9.342 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.678 -4.833 -8.605 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.494 -3.696 -9.218 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.931 -4.149 -6.416 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.643 -3.814 -6.578 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.343 -0.438 -5.470 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.844 -2.073 -4.979 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.975 -1.026 -5.869 1.00 0.00 H new ATOM 1171 N LYS A 81 1.856 -7.174 -7.191 1.00 0.00 N ATOM 1172 CA LYS A 81 2.116 -8.060 -6.069 1.00 0.00 C ATOM 1173 C LYS A 81 3.380 -7.597 -5.342 1.00 0.00 C ATOM 1174 O LYS A 81 4.400 -7.326 -5.974 1.00 0.00 O ATOM 1175 CB LYS A 81 2.174 -9.515 -6.539 1.00 0.00 C ATOM 1176 CG LYS A 81 0.771 -10.120 -6.625 1.00 0.00 C ATOM 1177 CD LYS A 81 0.590 -10.901 -7.928 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.062 -10.029 -9.004 1.00 0.00 C ATOM 1179 NZ LYS A 81 0.956 -9.195 -9.681 1.00 0.00 N ATOM 0 H LYS A 81 2.560 -7.203 -7.929 1.00 0.00 H new ATOM 0 HA LYS A 81 1.299 -8.014 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.657 -9.567 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.784 -10.099 -5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.603 -10.781 -5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.025 -9.328 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.558 -11.257 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.026 -11.782 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.568 -10.660 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.822 -9.391 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.752 -9.157 -10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.934 -8.233 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.899 -9.609 -9.532 1.00 0.00 H new ATOM 1193 N VAL A 82 3.272 -7.522 -4.024 1.00 0.00 N ATOM 1194 CA VAL A 82 4.393 -7.097 -3.204 1.00 0.00 C ATOM 1195 C VAL A 82 5.371 -8.262 -3.042 1.00 0.00 C ATOM 1196 O VAL A 82 5.088 -9.219 -2.323 1.00 0.00 O ATOM 1197 CB VAL A 82 3.887 -6.551 -1.867 1.00 0.00 C ATOM 1198 CG1 VAL A 82 5.046 -6.324 -0.894 1.00 0.00 C ATOM 1199 CG2 VAL A 82 3.081 -5.266 -2.070 1.00 0.00 C ATOM 0 H VAL A 82 2.425 -7.749 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 82 4.933 -6.283 -3.688 1.00 0.00 H new ATOM 0 HB VAL A 82 3.224 -7.297 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.659 -5.936 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.560 -7.268 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.745 -5.606 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.733 -4.899 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.712 -4.511 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.223 -5.472 -2.711 1.00 0.00 H new ATOM 1209 N LYS A 83 6.502 -8.143 -3.722 1.00 0.00 N ATOM 1210 CA LYS A 83 7.523 -9.175 -3.663 1.00 0.00 C ATOM 1211 C LYS A 83 6.964 -10.474 -4.245 1.00 0.00 C ATOM 1212 O LYS A 83 7.394 -10.918 -5.308 1.00 0.00 O ATOM 1213 CB LYS A 83 8.057 -9.319 -2.236 1.00 0.00 C ATOM 1214 CG LYS A 83 9.574 -9.515 -2.235 1.00 0.00 C ATOM 1215 CD LYS A 83 10.269 -8.413 -1.432 1.00 0.00 C ATOM 1216 CE LYS A 83 11.187 -7.579 -2.328 1.00 0.00 C ATOM 1217 NZ LYS A 83 12.480 -8.270 -2.532 1.00 0.00 N ATOM 0 H LYS A 83 6.734 -7.347 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 83 8.382 -8.896 -4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.801 -8.432 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.577 -10.167 -1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.818 -10.489 -1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.945 -9.512 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.522 -7.768 -0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.850 -8.858 -0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.705 -7.405 -3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.357 -6.602 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.091 -7.690 -3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.945 -8.414 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.314 -9.192 -2.984 1.00 0.00 H new ATOM 1231 N GLY A 84 6.014 -11.048 -3.521 1.00 0.00 N ATOM 1232 CA GLY A 84 5.391 -12.288 -3.953 1.00 0.00 C ATOM 1233 C GLY A 84 4.034 -12.486 -3.274 1.00 0.00 C ATOM 1234 O GLY A 84 3.532 -13.606 -3.196 1.00 0.00 O ATOM 0 H GLY A 84 5.661 -10.678 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.262 -12.276 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.045 -13.128 -3.719 1.00 0.00 H new ATOM 1238 N ARG A 85 3.479 -11.380 -2.800 1.00 0.00 N ATOM 1239 CA ARG A 85 2.190 -11.417 -2.131 1.00 0.00 C ATOM 1240 C ARG A 85 1.237 -10.397 -2.757 1.00 0.00 C ATOM 1241 O ARG A 85 1.565 -9.216 -2.858 1.00 0.00 O ATOM 1242 CB ARG A 85 2.336 -11.118 -0.637 1.00 0.00 C ATOM 1243 CG ARG A 85 2.621 -12.397 0.153 1.00 0.00 C ATOM 1244 CD ARG A 85 4.102 -12.772 0.074 1.00 0.00 C ATOM 1245 NE ARG A 85 4.364 -13.972 0.900 1.00 0.00 N ATOM 1246 CZ ARG A 85 5.581 -14.340 1.325 1.00 0.00 C ATOM 1247 NH1 ARG A 85 6.653 -13.604 1.005 1.00 0.00 N ATOM 1248 NH2 ARG A 85 5.724 -15.444 2.070 1.00 0.00 N ATOM 0 H ARG A 85 3.899 -10.453 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 85 1.783 -12.421 -2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.144 -10.403 -0.483 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.424 -10.652 -0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.333 -12.257 1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.014 -13.213 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.382 -12.965 -0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.715 -11.940 0.421 1.00 0.00 H new ATOM 0 HE ARG A 85 3.569 -14.555 1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.544 -12.763 0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.579 -13.884 1.328 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.907 -16.004 2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.650 -15.724 2.394 1.00 0.00 H new ATOM 1262 N ALA A 86 0.076 -10.891 -3.161 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.927 -10.037 -3.775 1.00 0.00 C ATOM 1264 C ALA A 86 -1.354 -8.959 -2.776 1.00 0.00 C ATOM 1265 O ALA A 86 -1.802 -9.271 -1.674 1.00 0.00 O ATOM 1266 CB ALA A 86 -2.105 -10.892 -4.248 1.00 0.00 C ATOM 0 H ALA A 86 -0.193 -11.871 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.517 -9.532 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.857 -10.252 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.755 -11.623 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.543 -11.411 -3.396 1.00 0.00 H new ATOM 1272 N VAL A 87 -1.199 -7.713 -3.197 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.562 -6.587 -2.354 1.00 0.00 C ATOM 1274 C VAL A 87 -2.854 -5.958 -2.879 1.00 0.00 C ATOM 1275 O VAL A 87 -3.245 -6.196 -4.020 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.401 -5.593 -2.278 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.174 -5.315 -3.669 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.833 -4.295 -1.594 1.00 0.00 C ATOM 0 H VAL A 87 -0.827 -7.458 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.753 -6.920 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 87 0.386 -6.043 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.998 -4.606 -3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.538 -6.245 -4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.604 -4.896 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.011 -3.607 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.646 -3.839 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.172 -4.513 -0.581 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.480 -5.166 -2.021 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.720 -4.500 -2.384 1.00 0.00 C ATOM 1290 C LYS A 88 -4.767 -3.123 -1.720 1.00 0.00 C ATOM 1291 O LYS A 88 -4.805 -3.021 -0.495 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.921 -5.386 -2.050 1.00 0.00 C ATOM 1293 CG LYS A 88 -7.235 -4.685 -2.401 1.00 0.00 C ATOM 1294 CD LYS A 88 -8.438 -5.510 -1.940 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.615 -4.605 -1.573 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.461 -4.088 -0.195 1.00 0.00 N ATOM 0 H LYS A 88 -3.152 -4.970 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.764 -4.336 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.848 -6.325 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.910 -5.635 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.263 -3.702 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.290 -4.526 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.736 -6.198 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.159 -6.117 -1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.675 -3.773 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.549 -5.161 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.268 -3.475 0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.426 -4.885 0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.580 -3.540 -0.126 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.765 -2.097 -2.558 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.807 -0.730 -2.068 1.00 0.00 C ATOM 1312 C ILE A 89 -6.176 -0.122 -2.381 1.00 0.00 C ATOM 1313 O ILE A 89 -6.563 -0.020 -3.544 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.634 0.077 -2.628 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.297 -0.521 -2.186 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.755 1.555 -2.249 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.427 -0.871 -3.394 1.00 0.00 C ATOM 0 H ILE A 89 -4.735 -2.185 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.689 -0.711 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.668 0.020 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.771 0.188 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.474 -1.416 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.909 2.106 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.683 1.960 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.760 1.653 -1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.483 -1.294 -3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.946 -1.599 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.231 0.030 -3.975 1.00 0.00 H new ATOM 1329 N SER A 90 -6.873 0.264 -1.322 1.00 0.00 N ATOM 1330 CA SER A 90 -8.190 0.859 -1.470 1.00 0.00 C ATOM 1331 C SER A 90 -8.171 2.305 -0.970 1.00 0.00 C ATOM 1332 O SER A 90 -7.122 2.818 -0.585 1.00 0.00 O ATOM 1333 CB SER A 90 -9.247 0.050 -0.714 1.00 0.00 C ATOM 1334 OG SER A 90 -10.082 -0.694 -1.597 1.00 0.00 O ATOM 0 H SER A 90 -6.550 0.176 -0.358 1.00 0.00 H new ATOM 0 HA SER A 90 -8.452 0.851 -2.528 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.754 -0.632 -0.021 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.861 0.724 -0.117 1.00 0.00 H new ATOM 0 HG SER A 90 -10.742 -1.198 -1.076 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.344 2.921 -0.992 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.475 4.297 -0.546 1.00 0.00 C ATOM 1342 C GLY A 91 -10.559 4.425 0.527 1.00 0.00 C ATOM 1343 O GLY A 91 -11.728 4.141 0.270 1.00 0.00 O ATOM 0 H GLY A 91 -10.212 2.492 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.522 4.647 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.721 4.936 -1.394 1.00 0.00 H new ATOM 1347 N PRO A 92 -10.120 4.864 1.737 1.00 0.00 N ATOM 1348 CA PRO A 92 -11.040 5.033 2.850 1.00 0.00 C ATOM 1349 C PRO A 92 -11.897 6.287 2.667 1.00 0.00 C ATOM 1350 O PRO A 92 -13.093 6.272 2.953 1.00 0.00 O ATOM 1351 CB PRO A 92 -10.156 5.092 4.085 1.00 0.00 C ATOM 1352 CG PRO A 92 -8.759 5.421 3.582 1.00 0.00 C ATOM 1353 CD PRO A 92 -8.743 5.209 2.077 1.00 0.00 C ATOM 0 HA PRO A 92 -11.759 4.217 2.930 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.509 5.852 4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.165 4.141 4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.499 6.451 3.825 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.019 4.783 4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.419 6.109 1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.054 4.412 1.797 1.00 0.00 H new ATOM 1361 N SER A 93 -11.252 7.342 2.191 1.00 0.00 N ATOM 1362 CA SER A 93 -11.940 8.601 1.967 1.00 0.00 C ATOM 1363 C SER A 93 -12.487 9.142 3.290 1.00 0.00 C ATOM 1364 O SER A 93 -13.684 9.051 3.554 1.00 0.00 O ATOM 1365 CB SER A 93 -13.073 8.437 0.952 1.00 0.00 C ATOM 1366 OG SER A 93 -12.623 8.628 -0.386 1.00 0.00 O ATOM 0 H SER A 93 -10.260 7.350 1.954 1.00 0.00 H new ATOM 0 HA SER A 93 -11.223 9.314 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.506 7.442 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.865 9.153 1.174 1.00 0.00 H new ATOM 0 HG SER A 93 -13.375 8.513 -1.004 1.00 0.00 H new ATOM 1372 N SER A 94 -11.582 9.693 4.086 1.00 0.00 N ATOM 1373 CA SER A 94 -11.959 10.248 5.375 1.00 0.00 C ATOM 1374 C SER A 94 -12.994 11.358 5.184 1.00 0.00 C ATOM 1375 O SER A 94 -12.669 12.437 4.691 1.00 0.00 O ATOM 1376 CB SER A 94 -10.736 10.785 6.122 1.00 0.00 C ATOM 1377 OG SER A 94 -10.031 9.752 6.804 1.00 0.00 O ATOM 0 H SER A 94 -10.589 9.767 3.863 1.00 0.00 H new ATOM 0 HA SER A 94 -12.397 9.451 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.066 11.276 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.053 11.542 6.839 1.00 0.00 H new ATOM 0 HG SER A 94 -9.257 10.135 7.267 1.00 0.00 H new ATOM 1383 N GLY A 95 -14.220 11.055 5.586 1.00 0.00 N ATOM 1384 CA GLY A 95 -15.305 12.013 5.465 1.00 0.00 C ATOM 1385 C GLY A 95 -16.397 11.491 4.530 1.00 0.00 C ATOM 1386 O GLY A 95 -16.640 10.287 4.465 1.00 0.00 O ATOM 0 H GLY A 95 -14.485 10.159 5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.729 12.213 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.919 12.959 5.086 1.00 0.00 H new TER 1390 GLY A 95