USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 575 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 25 THR OG1 : rot 111:sc= 1.11 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.685 K(o=1.8,f=-8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.26 (180deg=0.958) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 37:sc= 1.25 USER MOD Single : A 8 THR OG1 : rot -114:sc= -1.79! USER MOD Single : A 12 ASN : amide:sc= -0.081 K(o=-0.081,f=-0.58) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00261 USER MOD Single : A 29 SER OG : rot 180:sc= 0.038 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -49:sc= 1.23 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.2 F(o=-2.8!,f=-0.2) USER MOD Single : A 39 SER OG : rot -34:sc= 0.0844 USER MOD Single : A 43 TYR OH : rot -85:sc= 0.0272 USER MOD Single : A 45 ASN :FLIP amide:sc= -2.08 F(o=-4!,f=-2.1) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.167 F(o=-1.8!,f=-0.17) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0417 USER MOD Single : A 51 MET CE :methyl -160:sc= -0.144 (180deg=-0.67) USER MOD Single : A 70 ASN : amide:sc= -0.632 K(o=-0.63,f=-3.7!) USER MOD Single : A 73 TYR OH : rot 136:sc= 0.525 USER MOD Single : A 76 ASN : amide:sc= -4.43! C(o=-4.4!,f=-17!) USER MOD Single : A 77 TYR OH : rot -87:sc= 0.418 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.093 -13.927 -8.949 1.00 4.18 N ATOM 2 CA MET A 1 7.882 -13.429 -10.102 1.00 3.62 C ATOM 3 C MET A 1 7.911 -11.911 -10.092 1.00 2.69 C ATOM 4 O MET A 1 7.123 -11.273 -10.786 1.00 2.92 O ATOM 5 CB MET A 1 7.273 -13.909 -11.425 1.00 4.15 C ATOM 6 CG MET A 1 7.258 -15.418 -11.600 1.00 4.68 C ATOM 7 SD MET A 1 6.513 -15.919 -13.164 1.00 5.50 S ATOM 8 CE MET A 1 6.602 -17.701 -13.027 1.00 5.86 C ATOM 0 H1 MET A 1 7.308 -14.932 -8.790 1.00 4.18 H new ATOM 0 H2 MET A 1 7.339 -13.381 -8.098 1.00 4.18 H new ATOM 0 H3 MET A 1 6.078 -13.817 -9.149 1.00 4.18 H new ATOM 0 HA MET A 1 8.896 -13.820 -10.014 1.00 3.62 H new ATOM 0 HB2 MET A 1 6.251 -13.537 -11.496 1.00 4.15 H new ATOM 0 HB3 MET A 1 7.831 -13.466 -12.250 1.00 4.15 H new ATOM 0 HG2 MET A 1 8.278 -15.798 -11.548 1.00 4.68 H new ATOM 0 HG3 MET A 1 6.707 -15.872 -10.776 1.00 4.68 H new ATOM 0 HE1 MET A 1 6.178 -18.156 -13.922 1.00 5.86 H new ATOM 0 HE2 MET A 1 7.643 -18.006 -12.923 1.00 5.86 H new ATOM 0 HE3 MET A 1 6.039 -18.027 -12.152 1.00 5.86 H new ATOM 20 N SER A 2 8.828 -11.345 -9.304 1.00 2.22 N ATOM 21 CA SER A 2 8.909 -9.900 -9.120 1.00 1.70 C ATOM 22 C SER A 2 7.610 -9.397 -8.497 1.00 1.40 C ATOM 23 O SER A 2 6.657 -9.056 -9.201 1.00 1.42 O ATOM 24 CB SER A 2 9.189 -9.195 -10.455 1.00 2.23 C ATOM 25 OG SER A 2 10.346 -9.732 -11.082 1.00 2.73 O ATOM 0 H SER A 2 9.528 -11.872 -8.781 1.00 2.22 H new ATOM 0 HA SER A 2 9.737 -9.670 -8.449 1.00 1.70 H new ATOM 0 HB2 SER A 2 8.329 -9.305 -11.116 1.00 2.23 H new ATOM 0 HB3 SER A 2 9.326 -8.127 -10.285 1.00 2.23 H new ATOM 0 HG SER A 2 10.503 -9.268 -11.931 1.00 2.73 H new ATOM 31 N GLU A 3 7.588 -9.326 -7.175 1.00 1.27 N ATOM 32 CA GLU A 3 6.356 -9.141 -6.447 1.00 1.09 C ATOM 33 C GLU A 3 5.919 -7.682 -6.482 1.00 0.86 C ATOM 34 O GLU A 3 6.744 -6.770 -6.397 1.00 0.86 O ATOM 35 CB GLU A 3 6.556 -9.592 -5.003 1.00 1.30 C ATOM 36 CG GLU A 3 7.161 -10.978 -4.858 1.00 1.87 C ATOM 37 CD GLU A 3 6.470 -12.037 -5.691 1.00 1.96 C ATOM 38 OE1 GLU A 3 7.113 -12.582 -6.616 1.00 2.50 O ATOM 39 OE2 GLU A 3 5.293 -12.344 -5.418 1.00 2.05 O ATOM 0 H GLU A 3 8.419 -9.395 -6.587 1.00 1.27 H new ATOM 0 HA GLU A 3 5.574 -9.739 -6.916 1.00 1.09 H new ATOM 0 HB2 GLU A 3 7.199 -8.873 -4.496 1.00 1.30 H new ATOM 0 HB3 GLU A 3 5.593 -9.574 -4.492 1.00 1.30 H new ATOM 0 HG2 GLU A 3 8.213 -10.936 -5.140 1.00 1.87 H new ATOM 0 HG3 GLU A 3 7.124 -11.273 -3.809 1.00 1.87 H new ATOM 46 N TYR A 4 4.619 -7.471 -6.624 1.00 0.73 N ATOM 47 CA TYR A 4 4.068 -6.144 -6.738 1.00 0.56 C ATOM 48 C TYR A 4 2.862 -6.038 -5.814 1.00 0.48 C ATOM 49 O TYR A 4 2.419 -7.045 -5.272 1.00 0.54 O ATOM 50 CB TYR A 4 3.683 -5.874 -8.195 1.00 0.66 C ATOM 51 CG TYR A 4 2.526 -6.709 -8.679 1.00 0.57 C ATOM 52 CD1 TYR A 4 1.235 -6.296 -8.434 1.00 0.51 C ATOM 53 CD2 TYR A 4 2.719 -7.899 -9.368 1.00 0.78 C ATOM 54 CE1 TYR A 4 0.157 -7.035 -8.845 1.00 0.60 C ATOM 55 CE2 TYR A 4 1.642 -8.653 -9.794 1.00 1.00 C ATOM 56 CZ TYR A 4 0.359 -8.217 -9.528 1.00 0.90 C ATOM 57 OH TYR A 4 -0.716 -8.974 -9.935 1.00 1.17 O ATOM 0 H TYR A 4 3.925 -8.217 -6.662 1.00 0.73 H new ATOM 0 HA TYR A 4 4.802 -5.395 -6.443 1.00 0.56 H new ATOM 0 HB2 TYR A 4 3.430 -4.819 -8.306 1.00 0.66 H new ATOM 0 HB3 TYR A 4 4.548 -6.063 -8.831 1.00 0.66 H new ATOM 0 HD1 TYR A 4 1.069 -5.369 -7.906 1.00 0.51 H new ATOM 0 HD2 TYR A 4 3.723 -8.240 -9.574 1.00 0.78 H new ATOM 0 HE1 TYR A 4 -0.846 -6.694 -8.635 1.00 0.60 H new ATOM 0 HE2 TYR A 4 1.803 -9.576 -10.331 1.00 1.00 H new ATOM 0 HH TYR A 4 -1.442 -8.382 -10.223 1.00 1.17 H new ATOM 67 N ILE A 5 2.323 -4.839 -5.668 1.00 0.41 N ATOM 68 CA ILE A 5 1.300 -4.554 -4.670 1.00 0.37 C ATOM 69 C ILE A 5 0.084 -3.892 -5.314 1.00 0.31 C ATOM 70 O ILE A 5 0.154 -3.459 -6.465 1.00 0.33 O ATOM 71 CB ILE A 5 1.830 -3.658 -3.543 1.00 0.42 C ATOM 72 CG1 ILE A 5 2.150 -2.252 -4.077 1.00 0.49 C ATOM 73 CG2 ILE A 5 3.062 -4.281 -2.895 1.00 0.51 C ATOM 74 CD1 ILE A 5 2.795 -1.332 -3.060 1.00 1.00 C ATOM 0 H ILE A 5 2.581 -4.033 -6.238 1.00 0.41 H new ATOM 0 HA ILE A 5 1.008 -5.511 -4.237 1.00 0.37 H new ATOM 0 HB ILE A 5 1.054 -3.568 -2.783 1.00 0.42 H new ATOM 0 HG12 ILE A 5 2.812 -2.345 -4.938 1.00 0.49 H new ATOM 0 HG13 ILE A 5 1.228 -1.792 -4.433 1.00 0.49 H new ATOM 0 HG21 ILE A 5 3.422 -3.630 -2.098 1.00 0.51 H new ATOM 0 HG22 ILE A 5 2.801 -5.254 -2.479 1.00 0.51 H new ATOM 0 HG23 ILE A 5 3.844 -4.405 -3.644 1.00 0.51 H new ATOM 0 HD11 ILE A 5 2.987 -0.362 -3.518 1.00 1.00 H new ATOM 0 HD12 ILE A 5 2.127 -1.205 -2.208 1.00 1.00 H new ATOM 0 HD13 ILE A 5 3.736 -1.766 -2.721 1.00 1.00 H new ATOM 86 N ARG A 6 -1.043 -3.833 -4.599 1.00 0.30 N ATOM 87 CA ARG A 6 -2.246 -3.249 -5.167 1.00 0.32 C ATOM 88 C ARG A 6 -2.597 -1.979 -4.389 1.00 0.31 C ATOM 89 O ARG A 6 -2.618 -1.984 -3.173 1.00 0.31 O ATOM 90 CB ARG A 6 -3.408 -4.250 -5.042 1.00 0.39 C ATOM 91 CG ARG A 6 -4.017 -4.671 -6.351 1.00 0.81 C ATOM 92 CD ARG A 6 -5.003 -3.622 -6.801 1.00 0.61 C ATOM 93 NE ARG A 6 -6.219 -4.211 -7.327 1.00 1.13 N ATOM 94 CZ ARG A 6 -6.473 -4.460 -8.616 1.00 1.78 C ATOM 95 NH1 ARG A 6 -5.583 -4.153 -9.544 1.00 2.03 N ATOM 96 NH2 ARG A 6 -7.629 -5.017 -8.970 1.00 2.73 N ATOM 0 H ARG A 6 -1.141 -4.177 -3.644 1.00 0.30 H new ATOM 0 HA ARG A 6 -2.078 -3.011 -6.217 1.00 0.32 H new ATOM 0 HB2 ARG A 6 -3.050 -5.138 -4.521 1.00 0.39 H new ATOM 0 HB3 ARG A 6 -4.186 -3.807 -4.420 1.00 0.39 H new ATOM 0 HG2 ARG A 6 -3.238 -4.801 -7.103 1.00 0.81 H new ATOM 0 HG3 ARG A 6 -4.517 -5.633 -6.240 1.00 0.81 H new ATOM 0 HD2 ARG A 6 -5.249 -2.971 -5.962 1.00 0.61 H new ATOM 0 HD3 ARG A 6 -4.543 -2.996 -7.566 1.00 0.61 H new ATOM 0 HE ARG A 6 -6.945 -4.457 -6.654 1.00 1.13 H new ATOM 0 HH11 ARG A 6 -4.697 -3.724 -9.278 1.00 2.03 H new ATOM 0 HH12 ARG A 6 -5.783 -4.345 -10.526 1.00 2.03 H new ATOM 0 HH21 ARG A 6 -8.320 -5.254 -8.258 1.00 2.73 H new ATOM 0 HH22 ARG A 6 -7.824 -5.207 -9.953 1.00 2.73 H new ATOM 110 N VAL A 7 -2.893 -0.885 -5.074 1.00 0.34 N ATOM 111 CA VAL A 7 -3.182 0.365 -4.377 1.00 0.38 C ATOM 112 C VAL A 7 -4.391 1.041 -4.990 1.00 0.38 C ATOM 113 O VAL A 7 -4.632 0.901 -6.177 1.00 0.41 O ATOM 114 CB VAL A 7 -1.999 1.361 -4.455 1.00 0.45 C ATOM 115 CG1 VAL A 7 -2.071 2.385 -3.333 1.00 1.21 C ATOM 116 CG2 VAL A 7 -0.655 0.645 -4.456 1.00 1.45 C ATOM 0 H VAL A 7 -2.940 -0.833 -6.092 1.00 0.34 H new ATOM 0 HA VAL A 7 -3.365 0.104 -3.335 1.00 0.38 H new ATOM 0 HB VAL A 7 -2.085 1.891 -5.404 1.00 0.45 H new ATOM 0 HG11 VAL A 7 -1.228 3.072 -3.412 1.00 1.21 H new ATOM 0 HG12 VAL A 7 -3.003 2.944 -3.410 1.00 1.21 H new ATOM 0 HG13 VAL A 7 -2.033 1.874 -2.371 1.00 1.21 H new ATOM 0 HG21 VAL A 7 0.148 1.379 -4.512 1.00 1.45 H new ATOM 0 HG22 VAL A 7 -0.552 0.063 -3.540 1.00 1.45 H new ATOM 0 HG23 VAL A 7 -0.598 -0.021 -5.317 1.00 1.45 H new ATOM 126 N THR A 8 -5.206 1.670 -4.171 1.00 0.39 N ATOM 127 CA THR A 8 -6.162 2.646 -4.654 1.00 0.40 C ATOM 128 C THR A 8 -6.485 3.645 -3.557 1.00 0.42 C ATOM 129 O THR A 8 -6.107 3.438 -2.407 1.00 0.56 O ATOM 130 CB THR A 8 -7.417 1.980 -5.225 1.00 0.43 C ATOM 131 OG1 THR A 8 -8.392 2.962 -5.588 1.00 0.49 O ATOM 132 CG2 THR A 8 -8.002 0.973 -4.266 1.00 0.47 C ATOM 0 H THR A 8 -5.226 1.523 -3.162 1.00 0.39 H new ATOM 0 HA THR A 8 -5.710 3.192 -5.482 1.00 0.40 H new ATOM 0 HB THR A 8 -7.120 1.440 -6.124 1.00 0.43 H new ATOM 0 HG1 THR A 8 -9.180 2.869 -5.013 1.00 0.49 H new ATOM 0 HG21 THR A 8 -8.891 0.523 -4.708 1.00 0.47 H new ATOM 0 HG22 THR A 8 -7.266 0.196 -4.060 1.00 0.47 H new ATOM 0 HG23 THR A 8 -8.273 1.472 -3.335 1.00 0.47 H new ATOM 140 N GLU A 9 -7.135 4.739 -3.896 1.00 0.35 N ATOM 141 CA GLU A 9 -7.600 5.649 -2.879 1.00 0.30 C ATOM 142 C GLU A 9 -8.775 5.028 -2.155 1.00 0.29 C ATOM 143 O GLU A 9 -8.763 4.832 -0.946 1.00 0.41 O ATOM 144 CB GLU A 9 -7.975 7.001 -3.465 1.00 0.31 C ATOM 145 CG GLU A 9 -6.768 7.776 -3.955 1.00 1.13 C ATOM 146 CD GLU A 9 -6.425 7.468 -5.397 1.00 2.20 C ATOM 147 OE1 GLU A 9 -6.897 8.197 -6.293 1.00 2.55 O ATOM 148 OE2 GLU A 9 -5.673 6.504 -5.639 1.00 2.97 O ATOM 0 H GLU A 9 -7.349 5.014 -4.854 1.00 0.35 H new ATOM 0 HA GLU A 9 -6.790 5.825 -2.171 1.00 0.30 H new ATOM 0 HB2 GLU A 9 -8.669 6.855 -4.292 1.00 0.31 H new ATOM 0 HB3 GLU A 9 -8.498 7.588 -2.710 1.00 0.31 H new ATOM 0 HG2 GLU A 9 -6.960 8.844 -3.851 1.00 1.13 H new ATOM 0 HG3 GLU A 9 -5.910 7.543 -3.324 1.00 1.13 H new ATOM 155 N ASP A 10 -9.759 4.636 -2.909 1.00 0.32 N ATOM 156 CA ASP A 10 -10.947 4.091 -2.323 1.00 0.36 C ATOM 157 C ASP A 10 -11.013 2.649 -2.694 1.00 0.33 C ATOM 158 O ASP A 10 -10.589 2.257 -3.774 1.00 0.33 O ATOM 159 CB ASP A 10 -12.205 4.802 -2.803 1.00 0.48 C ATOM 160 CG ASP A 10 -13.411 4.475 -1.946 1.00 0.84 C ATOM 161 OD1 ASP A 10 -13.651 5.192 -0.954 1.00 1.14 O ATOM 162 OD2 ASP A 10 -14.121 3.495 -2.261 1.00 1.11 O ATOM 0 H ASP A 10 -9.763 4.683 -3.928 1.00 0.32 H new ATOM 0 HA ASP A 10 -10.901 4.224 -1.242 1.00 0.36 H new ATOM 0 HB2 ASP A 10 -12.037 5.879 -2.795 1.00 0.48 H new ATOM 0 HB3 ASP A 10 -12.408 4.519 -3.836 1.00 0.48 H new ATOM 167 N GLU A 11 -11.574 1.882 -1.808 1.00 0.38 N ATOM 168 CA GLU A 11 -11.667 0.445 -1.963 1.00 0.40 C ATOM 169 C GLU A 11 -12.421 0.150 -3.241 1.00 0.47 C ATOM 170 O GLU A 11 -12.266 -0.901 -3.863 1.00 0.60 O ATOM 171 CB GLU A 11 -12.435 -0.140 -0.790 1.00 0.50 C ATOM 172 CG GLU A 11 -12.272 0.647 0.490 1.00 0.69 C ATOM 173 CD GLU A 11 -12.847 -0.076 1.690 1.00 1.05 C ATOM 174 OE1 GLU A 11 -14.029 0.143 2.020 1.00 1.48 O ATOM 175 OE2 GLU A 11 -12.112 -0.859 2.321 1.00 1.37 O ATOM 0 H GLU A 11 -11.988 2.232 -0.944 1.00 0.38 H new ATOM 0 HA GLU A 11 -10.669 0.007 -2.000 1.00 0.40 H new ATOM 0 HB2 GLU A 11 -13.493 -0.187 -1.046 1.00 0.50 H new ATOM 0 HB3 GLU A 11 -12.102 -1.164 -0.622 1.00 0.50 H new ATOM 0 HG2 GLU A 11 -11.213 0.843 0.660 1.00 0.69 H new ATOM 0 HG3 GLU A 11 -12.762 1.615 0.383 1.00 0.69 H new ATOM 182 N ASN A 12 -13.255 1.111 -3.598 1.00 0.49 N ATOM 183 CA ASN A 12 -14.023 1.050 -4.824 1.00 0.60 C ATOM 184 C ASN A 12 -13.689 2.232 -5.747 1.00 0.48 C ATOM 185 O ASN A 12 -14.540 2.691 -6.508 1.00 0.52 O ATOM 186 CB ASN A 12 -15.507 1.021 -4.501 1.00 0.81 C ATOM 187 CG ASN A 12 -16.359 0.398 -5.591 1.00 1.46 C ATOM 188 OD1 ASN A 12 -16.022 0.428 -6.773 1.00 2.00 O ATOM 189 ND2 ASN A 12 -17.483 -0.176 -5.192 1.00 2.02 N ATOM 0 H ASN A 12 -13.417 1.953 -3.046 1.00 0.49 H new ATOM 0 HA ASN A 12 -13.758 0.135 -5.354 1.00 0.60 H new ATOM 0 HB2 ASN A 12 -15.657 0.467 -3.574 1.00 0.81 H new ATOM 0 HB3 ASN A 12 -15.850 2.040 -4.322 1.00 0.81 H new ATOM 0 HD21 ASN A 12 -18.103 -0.613 -5.874 1.00 2.02 H new ATOM 0 HD22 ASN A 12 -17.730 -0.181 -4.202 1.00 2.02 H new ATOM 196 N ASP A 13 -12.459 2.759 -5.674 1.00 0.40 N ATOM 197 CA ASP A 13 -12.029 3.739 -6.669 1.00 0.37 C ATOM 198 C ASP A 13 -11.516 2.987 -7.877 1.00 0.47 C ATOM 199 O ASP A 13 -12.249 2.244 -8.535 1.00 0.59 O ATOM 200 CB ASP A 13 -10.905 4.658 -6.156 1.00 0.34 C ATOM 201 CG ASP A 13 -10.858 5.984 -6.889 1.00 0.39 C ATOM 202 OD1 ASP A 13 -11.521 6.940 -6.437 1.00 0.44 O ATOM 203 OD2 ASP A 13 -10.157 6.074 -7.915 1.00 0.52 O ATOM 0 H ASP A 13 -11.767 2.531 -4.960 1.00 0.40 H new ATOM 0 HA ASP A 13 -12.885 4.370 -6.907 1.00 0.37 H new ATOM 0 HB2 ASP A 13 -11.047 4.840 -5.091 1.00 0.34 H new ATOM 0 HB3 ASP A 13 -9.947 4.151 -6.267 1.00 0.34 H new ATOM 208 N GLU A 14 -10.247 3.180 -8.157 1.00 0.47 N ATOM 209 CA GLU A 14 -9.541 2.349 -9.115 1.00 0.56 C ATOM 210 C GLU A 14 -8.350 1.678 -8.451 1.00 0.50 C ATOM 211 O GLU A 14 -7.265 2.251 -8.403 1.00 0.50 O ATOM 212 CB GLU A 14 -9.069 3.160 -10.313 1.00 0.68 C ATOM 213 CG GLU A 14 -10.189 3.802 -11.118 1.00 1.12 C ATOM 214 CD GLU A 14 -9.727 4.231 -12.495 1.00 1.38 C ATOM 215 OE1 GLU A 14 -8.952 5.204 -12.594 1.00 2.18 O ATOM 216 OE2 GLU A 14 -10.129 3.586 -13.491 1.00 1.73 O ATOM 0 H GLU A 14 -9.676 3.911 -7.733 1.00 0.47 H new ATOM 0 HA GLU A 14 -10.237 1.589 -9.470 1.00 0.56 H new ATOM 0 HB2 GLU A 14 -8.395 3.942 -9.964 1.00 0.68 H new ATOM 0 HB3 GLU A 14 -8.491 2.511 -10.971 1.00 0.68 H new ATOM 0 HG2 GLU A 14 -11.014 3.097 -11.216 1.00 1.12 H new ATOM 0 HG3 GLU A 14 -10.572 4.668 -10.578 1.00 1.12 H new ATOM 223 N PRO A 15 -8.528 0.471 -7.894 1.00 0.50 N ATOM 224 CA PRO A 15 -7.411 -0.301 -7.372 1.00 0.45 C ATOM 225 C PRO A 15 -6.563 -0.859 -8.505 1.00 0.43 C ATOM 226 O PRO A 15 -7.076 -1.405 -9.482 1.00 0.52 O ATOM 227 CB PRO A 15 -8.075 -1.410 -6.578 1.00 0.50 C ATOM 228 CG PRO A 15 -9.370 -1.577 -7.230 1.00 0.57 C ATOM 229 CD PRO A 15 -9.805 -0.217 -7.697 1.00 0.58 C ATOM 0 HA PRO A 15 -6.731 0.294 -6.763 1.00 0.45 H new ATOM 0 HB2 PRO A 15 -7.490 -2.329 -6.609 1.00 0.50 H new ATOM 0 HB3 PRO A 15 -8.188 -1.138 -5.528 1.00 0.50 H new ATOM 0 HG2 PRO A 15 -9.293 -2.267 -8.070 1.00 0.57 H new ATOM 0 HG3 PRO A 15 -10.099 -1.998 -6.538 1.00 0.57 H new ATOM 0 HD2 PRO A 15 -10.384 -0.270 -8.619 1.00 0.58 H new ATOM 0 HD3 PRO A 15 -10.428 0.286 -6.958 1.00 0.58 H new ATOM 237 N ILE A 16 -5.273 -0.717 -8.358 1.00 0.36 N ATOM 238 CA ILE A 16 -4.342 -0.961 -9.436 1.00 0.36 C ATOM 239 C ILE A 16 -3.225 -1.881 -8.990 1.00 0.31 C ATOM 240 O ILE A 16 -2.794 -1.825 -7.838 1.00 0.37 O ATOM 241 CB ILE A 16 -3.746 0.359 -9.941 1.00 0.42 C ATOM 242 CG1 ILE A 16 -3.224 1.175 -8.749 1.00 0.41 C ATOM 243 CG2 ILE A 16 -4.777 1.128 -10.745 1.00 0.51 C ATOM 244 CD1 ILE A 16 -3.966 2.478 -8.501 1.00 0.45 C ATOM 0 H ILE A 16 -4.833 -0.428 -7.485 1.00 0.36 H new ATOM 0 HA ILE A 16 -4.891 -1.441 -10.246 1.00 0.36 H new ATOM 0 HB ILE A 16 -2.906 0.154 -10.604 1.00 0.42 H new ATOM 0 HG12 ILE A 16 -3.285 0.561 -7.851 1.00 0.41 H new ATOM 0 HG13 ILE A 16 -2.170 1.398 -8.912 1.00 0.41 H new ATOM 0 HG21 ILE A 16 -4.341 2.063 -11.097 1.00 0.51 H new ATOM 0 HG22 ILE A 16 -5.092 0.530 -11.600 1.00 0.51 H new ATOM 0 HG23 ILE A 16 -5.641 1.345 -10.116 1.00 0.51 H new ATOM 0 HD11 ILE A 16 -3.530 2.987 -7.641 1.00 0.45 H new ATOM 0 HD12 ILE A 16 -3.884 3.116 -9.381 1.00 0.45 H new ATOM 0 HD13 ILE A 16 -5.017 2.266 -8.303 1.00 0.45 H new ATOM 256 N GLU A 17 -2.772 -2.735 -9.883 1.00 0.34 N ATOM 257 CA GLU A 17 -1.625 -3.575 -9.599 1.00 0.34 C ATOM 258 C GLU A 17 -0.353 -2.873 -10.039 1.00 0.36 C ATOM 259 O GLU A 17 -0.198 -2.517 -11.207 1.00 0.45 O ATOM 260 CB GLU A 17 -1.772 -4.909 -10.291 1.00 0.43 C ATOM 261 CG GLU A 17 -2.904 -5.757 -9.726 1.00 0.53 C ATOM 262 CD GLU A 17 -3.440 -6.750 -10.731 1.00 0.98 C ATOM 263 OE1 GLU A 17 -4.417 -6.427 -11.427 1.00 1.62 O ATOM 264 OE2 GLU A 17 -2.877 -7.861 -10.828 1.00 1.35 O ATOM 0 H GLU A 17 -3.178 -2.867 -10.809 1.00 0.34 H new ATOM 0 HA GLU A 17 -1.567 -3.755 -8.526 1.00 0.34 H new ATOM 0 HB2 GLU A 17 -1.947 -4.742 -11.354 1.00 0.43 H new ATOM 0 HB3 GLU A 17 -0.836 -5.461 -10.205 1.00 0.43 H new ATOM 0 HG2 GLU A 17 -2.548 -6.292 -8.846 1.00 0.53 H new ATOM 0 HG3 GLU A 17 -3.713 -5.105 -9.397 1.00 0.53 H new ATOM 271 N ILE A 18 0.547 -2.684 -9.093 1.00 0.32 N ATOM 272 CA ILE A 18 1.714 -1.830 -9.300 1.00 0.39 C ATOM 273 C ILE A 18 2.965 -2.433 -8.647 1.00 0.36 C ATOM 274 O ILE A 18 2.926 -2.871 -7.496 1.00 0.35 O ATOM 275 CB ILE A 18 1.447 -0.403 -8.738 1.00 0.47 C ATOM 276 CG1 ILE A 18 2.610 0.548 -9.037 1.00 1.18 C ATOM 277 CG2 ILE A 18 1.166 -0.440 -7.252 1.00 1.37 C ATOM 278 CD1 ILE A 18 2.689 0.970 -10.487 1.00 1.52 C ATOM 0 H ILE A 18 0.497 -3.110 -8.168 1.00 0.32 H new ATOM 0 HA ILE A 18 1.893 -1.760 -10.373 1.00 0.39 H new ATOM 0 HB ILE A 18 0.561 -0.022 -9.245 1.00 0.47 H new ATOM 0 HG12 ILE A 18 2.511 1.437 -8.413 1.00 1.18 H new ATOM 0 HG13 ILE A 18 3.546 0.064 -8.757 1.00 1.18 H new ATOM 0 HG21 ILE A 18 0.984 0.572 -6.891 1.00 1.37 H new ATOM 0 HG22 ILE A 18 0.287 -1.056 -7.063 1.00 1.37 H new ATOM 0 HG23 ILE A 18 2.024 -0.863 -6.730 1.00 1.37 H new ATOM 0 HD11 ILE A 18 3.536 1.642 -10.625 1.00 1.52 H new ATOM 0 HD12 ILE A 18 2.819 0.089 -11.116 1.00 1.52 H new ATOM 0 HD13 ILE A 18 1.769 1.483 -10.767 1.00 1.52 H new ATOM 290 N PRO A 19 4.084 -2.494 -9.386 1.00 0.39 N ATOM 291 CA PRO A 19 5.360 -2.980 -8.851 1.00 0.39 C ATOM 292 C PRO A 19 6.002 -1.999 -7.869 1.00 0.36 C ATOM 293 O PRO A 19 6.005 -0.788 -8.091 1.00 0.44 O ATOM 294 CB PRO A 19 6.232 -3.140 -10.097 1.00 0.48 C ATOM 295 CG PRO A 19 5.663 -2.184 -11.088 1.00 0.67 C ATOM 296 CD PRO A 19 4.186 -2.129 -10.812 1.00 0.47 C ATOM 0 HA PRO A 19 5.233 -3.900 -8.281 1.00 0.39 H new ATOM 0 HB2 PRO A 19 7.276 -2.911 -9.881 1.00 0.48 H new ATOM 0 HB3 PRO A 19 6.201 -4.163 -10.472 1.00 0.48 H new ATOM 0 HG2 PRO A 19 6.116 -1.198 -10.983 1.00 0.67 H new ATOM 0 HG3 PRO A 19 5.857 -2.518 -12.107 1.00 0.67 H new ATOM 0 HD2 PRO A 19 3.780 -1.135 -11.001 1.00 0.47 H new ATOM 0 HD3 PRO A 19 3.634 -2.825 -11.444 1.00 0.47 H new ATOM 304 N SER A 20 6.533 -2.533 -6.780 1.00 0.39 N ATOM 305 CA SER A 20 7.210 -1.730 -5.772 1.00 0.39 C ATOM 306 C SER A 20 8.720 -1.940 -5.854 1.00 0.38 C ATOM 307 O SER A 20 9.183 -2.820 -6.582 1.00 0.40 O ATOM 308 CB SER A 20 6.687 -2.108 -4.386 1.00 0.44 C ATOM 309 OG SER A 20 6.670 -3.517 -4.219 1.00 0.97 O ATOM 0 H SER A 20 6.507 -3.531 -6.570 1.00 0.39 H new ATOM 0 HA SER A 20 7.005 -0.675 -5.953 1.00 0.39 H new ATOM 0 HB2 SER A 20 7.315 -1.654 -3.619 1.00 0.44 H new ATOM 0 HB3 SER A 20 5.682 -1.709 -4.251 1.00 0.44 H new ATOM 0 HG SER A 20 6.334 -3.736 -3.325 1.00 0.97 H new ATOM 315 N GLU A 21 9.486 -1.129 -5.129 1.00 0.41 N ATOM 316 CA GLU A 21 10.935 -1.270 -5.117 1.00 0.48 C ATOM 317 C GLU A 21 11.321 -2.591 -4.483 1.00 0.49 C ATOM 318 O GLU A 21 10.724 -3.016 -3.491 1.00 0.45 O ATOM 319 CB GLU A 21 11.604 -0.125 -4.364 1.00 0.53 C ATOM 320 CG GLU A 21 11.598 1.226 -5.089 1.00 1.47 C ATOM 321 CD GLU A 21 10.213 1.793 -5.371 1.00 1.91 C ATOM 322 OE1 GLU A 21 9.735 2.633 -4.584 1.00 2.77 O ATOM 323 OE2 GLU A 21 9.614 1.425 -6.404 1.00 2.00 O ATOM 0 H GLU A 21 9.128 -0.372 -4.546 1.00 0.41 H new ATOM 0 HA GLU A 21 11.280 -1.242 -6.151 1.00 0.48 H new ATOM 0 HB2 GLU A 21 11.107 -0.005 -3.402 1.00 0.53 H new ATOM 0 HB3 GLU A 21 12.637 -0.403 -4.156 1.00 0.53 H new ATOM 0 HG2 GLU A 21 12.155 1.946 -4.490 1.00 1.47 H new ATOM 0 HG3 GLU A 21 12.130 1.118 -6.034 1.00 1.47 H new ATOM 330 N ASP A 22 12.342 -3.211 -5.071 1.00 0.61 N ATOM 331 CA ASP A 22 12.829 -4.539 -4.686 1.00 0.70 C ATOM 332 C ASP A 22 13.177 -4.610 -3.218 1.00 0.72 C ATOM 333 O ASP A 22 13.253 -5.695 -2.640 1.00 0.81 O ATOM 334 CB ASP A 22 14.100 -4.861 -5.441 1.00 0.87 C ATOM 335 CG ASP A 22 13.982 -4.666 -6.935 1.00 1.33 C ATOM 336 OD1 ASP A 22 13.870 -5.679 -7.661 1.00 1.43 O ATOM 337 OD2 ASP A 22 13.966 -3.506 -7.389 1.00 2.13 O ATOM 0 H ASP A 22 12.866 -2.799 -5.843 1.00 0.61 H new ATOM 0 HA ASP A 22 12.027 -5.241 -4.914 1.00 0.70 H new ATOM 0 HB2 ASP A 22 14.906 -4.232 -5.063 1.00 0.87 H new ATOM 0 HB3 ASP A 22 14.381 -5.895 -5.239 1.00 0.87 H new ATOM 342 N ASP A 23 13.394 -3.449 -2.614 1.00 0.69 N ATOM 343 CA ASP A 23 13.742 -3.386 -1.199 1.00 0.75 C ATOM 344 C ASP A 23 12.505 -3.658 -0.382 1.00 0.66 C ATOM 345 O ASP A 23 12.520 -3.631 0.848 1.00 0.75 O ATOM 346 CB ASP A 23 14.326 -2.035 -0.816 1.00 0.82 C ATOM 347 CG ASP A 23 15.749 -1.839 -1.303 1.00 1.53 C ATOM 348 OD1 ASP A 23 16.666 -2.435 -0.708 1.00 1.85 O ATOM 349 OD2 ASP A 23 15.961 -1.074 -2.269 1.00 2.32 O ATOM 0 H ASP A 23 13.336 -2.542 -3.078 1.00 0.69 H new ATOM 0 HA ASP A 23 14.506 -4.138 -1.000 1.00 0.75 H new ATOM 0 HB2 ASP A 23 13.697 -1.245 -1.226 1.00 0.82 H new ATOM 0 HB3 ASP A 23 14.303 -1.931 0.269 1.00 0.82 H new ATOM 354 N GLY A 24 11.423 -3.904 -1.102 1.00 0.56 N ATOM 355 CA GLY A 24 10.144 -4.141 -0.477 1.00 0.55 C ATOM 356 C GLY A 24 9.587 -2.846 0.043 1.00 0.48 C ATOM 357 O GLY A 24 8.797 -2.811 0.988 1.00 0.55 O ATOM 0 H GLY A 24 11.411 -3.944 -2.121 1.00 0.56 H new ATOM 0 HA2 GLY A 24 9.453 -4.583 -1.196 1.00 0.55 H new ATOM 0 HA3 GLY A 24 10.254 -4.855 0.339 1.00 0.55 H new ATOM 361 N THR A 25 10.042 -1.776 -0.577 1.00 0.40 N ATOM 362 CA THR A 25 9.828 -0.452 -0.076 1.00 0.39 C ATOM 363 C THR A 25 9.390 0.472 -1.213 1.00 0.36 C ATOM 364 O THR A 25 9.467 0.099 -2.384 1.00 0.41 O ATOM 365 CB THR A 25 11.146 0.026 0.580 1.00 0.51 C ATOM 366 OG1 THR A 25 10.911 0.462 1.922 1.00 0.62 O ATOM 367 CG2 THR A 25 11.818 1.125 -0.226 1.00 0.47 C ATOM 0 H THR A 25 10.573 -1.811 -1.447 1.00 0.40 H new ATOM 0 HA THR A 25 9.033 -0.439 0.669 1.00 0.39 H new ATOM 0 HB THR A 25 11.825 -0.826 0.599 1.00 0.51 H new ATOM 0 HG1 THR A 25 11.328 -0.166 2.548 1.00 0.62 H new ATOM 0 HG21 THR A 25 12.739 1.430 0.271 1.00 0.47 H new ATOM 0 HG22 THR A 25 12.050 0.754 -1.224 1.00 0.47 H new ATOM 0 HG23 THR A 25 11.147 1.981 -0.304 1.00 0.47 H new ATOM 375 N VAL A 26 8.887 1.643 -0.859 1.00 0.33 N ATOM 376 CA VAL A 26 8.515 2.649 -1.825 1.00 0.37 C ATOM 377 C VAL A 26 8.772 4.046 -1.264 1.00 0.35 C ATOM 378 O VAL A 26 8.692 4.258 -0.054 1.00 0.32 O ATOM 379 CB VAL A 26 7.039 2.520 -2.226 1.00 0.42 C ATOM 380 CG1 VAL A 26 6.879 1.556 -3.391 1.00 0.47 C ATOM 381 CG2 VAL A 26 6.221 2.045 -1.052 1.00 0.41 C ATOM 0 H VAL A 26 8.727 1.918 0.110 1.00 0.33 H new ATOM 0 HA VAL A 26 9.128 2.496 -2.713 1.00 0.37 H new ATOM 0 HB VAL A 26 6.683 3.502 -2.537 1.00 0.42 H new ATOM 0 HG11 VAL A 26 5.825 1.480 -3.658 1.00 0.47 H new ATOM 0 HG12 VAL A 26 7.445 1.923 -4.247 1.00 0.47 H new ATOM 0 HG13 VAL A 26 7.252 0.573 -3.104 1.00 0.47 H new ATOM 0 HG21 VAL A 26 5.176 1.957 -1.349 1.00 0.41 H new ATOM 0 HG22 VAL A 26 6.588 1.073 -0.723 1.00 0.41 H new ATOM 0 HG23 VAL A 26 6.307 2.761 -0.235 1.00 0.41 H new ATOM 391 N LEU A 27 9.110 4.978 -2.147 1.00 0.42 N ATOM 392 CA LEU A 27 9.293 6.383 -1.781 1.00 0.45 C ATOM 393 C LEU A 27 7.971 6.975 -1.333 1.00 0.43 C ATOM 394 O LEU A 27 7.205 7.473 -2.139 1.00 0.48 O ATOM 395 CB LEU A 27 9.852 7.163 -2.985 1.00 0.56 C ATOM 396 CG LEU A 27 9.672 6.485 -4.341 1.00 1.25 C ATOM 397 CD1 LEU A 27 8.220 6.569 -4.775 1.00 1.94 C ATOM 398 CD2 LEU A 27 10.585 7.117 -5.378 1.00 1.67 C ATOM 0 H LEU A 27 9.265 4.785 -3.136 1.00 0.42 H new ATOM 0 HA LEU A 27 10.002 6.454 -0.957 1.00 0.45 H new ATOM 0 HB2 LEU A 27 9.371 8.140 -3.019 1.00 0.56 H new ATOM 0 HB3 LEU A 27 10.916 7.337 -2.822 1.00 0.56 H new ATOM 0 HG LEU A 27 9.945 5.434 -4.249 1.00 1.25 H new ATOM 0 HD11 LEU A 27 8.101 6.083 -5.743 1.00 1.94 H new ATOM 0 HD12 LEU A 27 7.591 6.070 -4.038 1.00 1.94 H new ATOM 0 HD13 LEU A 27 7.924 7.615 -4.855 1.00 1.94 H new ATOM 0 HD21 LEU A 27 10.443 6.621 -6.338 1.00 1.67 H new ATOM 0 HD22 LEU A 27 10.345 8.176 -5.477 1.00 1.67 H new ATOM 0 HD23 LEU A 27 11.623 7.008 -5.063 1.00 1.67 H new ATOM 410 N LEU A 28 7.737 6.965 -0.026 1.00 0.45 N ATOM 411 CA LEU A 28 6.435 7.263 0.520 1.00 0.49 C ATOM 412 C LEU A 28 6.060 8.693 0.192 1.00 0.46 C ATOM 413 O LEU A 28 4.999 8.943 -0.350 1.00 0.46 O ATOM 414 CB LEU A 28 6.487 7.009 2.028 1.00 0.63 C ATOM 415 CG LEU A 28 6.155 8.188 2.933 1.00 0.67 C ATOM 416 CD1 LEU A 28 4.654 8.426 3.001 1.00 0.83 C ATOM 417 CD2 LEU A 28 6.719 7.971 4.327 1.00 0.97 C ATOM 0 H LEU A 28 8.446 6.750 0.675 1.00 0.45 H new ATOM 0 HA LEU A 28 5.666 6.625 0.084 1.00 0.49 H new ATOM 0 HB2 LEU A 28 5.797 6.197 2.260 1.00 0.63 H new ATOM 0 HB3 LEU A 28 7.488 6.659 2.280 1.00 0.63 H new ATOM 0 HG LEU A 28 6.619 9.076 2.503 1.00 0.67 H new ATOM 0 HD11 LEU A 28 4.449 9.274 3.655 1.00 0.83 H new ATOM 0 HD12 LEU A 28 4.274 8.638 2.002 1.00 0.83 H new ATOM 0 HD13 LEU A 28 4.162 7.537 3.395 1.00 0.83 H new ATOM 0 HD21 LEU A 28 6.470 8.825 4.957 1.00 0.97 H new ATOM 0 HD22 LEU A 28 6.289 7.066 4.756 1.00 0.97 H new ATOM 0 HD23 LEU A 28 7.802 7.866 4.269 1.00 0.97 H new ATOM 429 N SER A 29 6.976 9.607 0.457 1.00 0.49 N ATOM 430 CA SER A 29 6.761 11.022 0.216 1.00 0.58 C ATOM 431 C SER A 29 6.618 11.289 -1.275 1.00 0.58 C ATOM 432 O SER A 29 5.793 12.107 -1.711 1.00 0.61 O ATOM 433 CB SER A 29 7.928 11.817 0.799 1.00 0.72 C ATOM 434 OG SER A 29 9.165 11.189 0.497 1.00 1.43 O ATOM 0 H SER A 29 7.893 9.388 0.847 1.00 0.49 H new ATOM 0 HA SER A 29 5.838 11.337 0.704 1.00 0.58 H new ATOM 0 HB2 SER A 29 7.921 12.830 0.397 1.00 0.72 H new ATOM 0 HB3 SER A 29 7.812 11.902 1.879 1.00 0.72 H new ATOM 0 HG SER A 29 9.900 11.714 0.877 1.00 1.43 H new ATOM 440 N THR A 30 7.372 10.537 -2.059 1.00 0.60 N ATOM 441 CA THR A 30 7.342 10.687 -3.484 1.00 0.68 C ATOM 442 C THR A 30 6.025 10.125 -4.007 1.00 0.65 C ATOM 443 O THR A 30 5.425 10.657 -4.945 1.00 0.74 O ATOM 444 CB THR A 30 8.574 10.026 -4.107 1.00 0.79 C ATOM 445 OG1 THR A 30 9.732 10.852 -3.927 1.00 1.42 O ATOM 446 CG2 THR A 30 8.343 9.755 -5.555 1.00 0.94 C ATOM 0 H THR A 30 8.011 9.817 -1.721 1.00 0.60 H new ATOM 0 HA THR A 30 7.386 11.739 -3.768 1.00 0.68 H new ATOM 0 HB THR A 30 8.749 9.076 -3.603 1.00 0.79 H new ATOM 0 HG1 THR A 30 10.511 10.415 -4.329 1.00 1.42 H new ATOM 0 HG21 THR A 30 9.228 9.285 -5.983 1.00 0.94 H new ATOM 0 HG22 THR A 30 7.488 9.089 -5.669 1.00 0.94 H new ATOM 0 HG23 THR A 30 8.144 10.693 -6.073 1.00 0.94 H new ATOM 454 N VAL A 31 5.553 9.087 -3.340 1.00 0.56 N ATOM 455 CA VAL A 31 4.225 8.565 -3.568 1.00 0.58 C ATOM 456 C VAL A 31 3.171 9.608 -3.193 1.00 0.56 C ATOM 457 O VAL A 31 2.202 9.774 -3.898 1.00 0.67 O ATOM 458 CB VAL A 31 3.996 7.249 -2.782 1.00 0.55 C ATOM 459 CG1 VAL A 31 2.535 6.839 -2.766 1.00 0.65 C ATOM 460 CG2 VAL A 31 4.830 6.140 -3.369 1.00 0.57 C ATOM 0 H VAL A 31 6.082 8.585 -2.627 1.00 0.56 H new ATOM 0 HA VAL A 31 4.129 8.339 -4.630 1.00 0.58 H new ATOM 0 HB VAL A 31 4.300 7.432 -1.751 1.00 0.55 H new ATOM 0 HG11 VAL A 31 2.423 5.912 -2.204 1.00 0.65 H new ATOM 0 HG12 VAL A 31 1.942 7.623 -2.294 1.00 0.65 H new ATOM 0 HG13 VAL A 31 2.188 6.688 -3.788 1.00 0.65 H new ATOM 0 HG21 VAL A 31 4.660 5.221 -2.808 1.00 0.57 H new ATOM 0 HG22 VAL A 31 4.549 5.986 -4.411 1.00 0.57 H new ATOM 0 HG23 VAL A 31 5.885 6.409 -3.313 1.00 0.57 H new ATOM 470 N THR A 32 3.380 10.344 -2.104 1.00 0.49 N ATOM 471 CA THR A 32 2.397 11.336 -1.656 1.00 0.52 C ATOM 472 C THR A 32 2.233 12.473 -2.655 1.00 0.64 C ATOM 473 O THR A 32 1.270 13.229 -2.558 1.00 0.72 O ATOM 474 CB THR A 32 2.699 11.945 -0.265 1.00 0.48 C ATOM 475 OG1 THR A 32 3.585 13.062 -0.376 1.00 0.67 O ATOM 476 CG2 THR A 32 3.312 10.934 0.653 1.00 0.52 C ATOM 0 H THR A 32 4.212 10.276 -1.518 1.00 0.49 H new ATOM 0 HA THR A 32 1.470 10.768 -1.579 1.00 0.52 H new ATOM 0 HB THR A 32 1.746 12.274 0.150 1.00 0.48 H new ATOM 0 HG1 THR A 32 4.357 12.814 -0.927 1.00 0.67 H new ATOM 0 HG21 THR A 32 3.511 11.395 1.621 1.00 0.52 H new ATOM 0 HG22 THR A 32 2.625 10.098 0.784 1.00 0.52 H new ATOM 0 HG23 THR A 32 4.247 10.572 0.224 1.00 0.52 H new ATOM 484 N ALA A 33 3.228 12.655 -3.529 1.00 0.69 N ATOM 485 CA ALA A 33 3.171 13.644 -4.627 1.00 0.82 C ATOM 486 C ALA A 33 1.982 13.474 -5.575 1.00 0.88 C ATOM 487 O ALA A 33 2.122 13.639 -6.787 1.00 0.93 O ATOM 488 CB ALA A 33 4.454 13.585 -5.415 1.00 0.89 C ATOM 0 H ALA A 33 4.099 12.124 -3.501 1.00 0.69 H new ATOM 0 HA ALA A 33 3.037 14.616 -4.152 1.00 0.82 H new ATOM 0 HB1 ALA A 33 4.417 14.312 -6.226 1.00 0.89 H new ATOM 0 HB2 ALA A 33 5.294 13.815 -4.760 1.00 0.89 H new ATOM 0 HB3 ALA A 33 4.580 12.585 -5.830 1.00 0.89 H new ATOM 494 N GLN A 34 0.822 13.186 -5.017 1.00 0.92 N ATOM 495 CA GLN A 34 -0.370 12.862 -5.780 1.00 0.98 C ATOM 496 C GLN A 34 -1.465 12.397 -4.854 1.00 0.91 C ATOM 497 O GLN A 34 -1.401 12.599 -3.641 1.00 0.81 O ATOM 498 CB GLN A 34 -0.064 11.733 -6.746 1.00 1.04 C ATOM 499 CG GLN A 34 0.582 10.540 -6.092 1.00 0.94 C ATOM 500 CD GLN A 34 1.845 10.107 -6.819 1.00 0.96 C ATOM 501 OE1 GLN A 34 2.978 10.731 -6.488 1.00 1.05 O flip ATOM 502 NE2 GLN A 34 1.804 9.242 -7.695 1.00 0.89 N flip ATOM 0 H GLN A 34 0.678 13.170 -4.007 1.00 0.92 H new ATOM 0 HA GLN A 34 -0.688 13.753 -6.321 1.00 0.98 H new ATOM 0 HB2 GLN A 34 -0.989 11.417 -7.227 1.00 1.04 H new ATOM 0 HB3 GLN A 34 0.593 12.106 -7.532 1.00 1.04 H new ATOM 0 HG2 GLN A 34 0.824 10.781 -5.057 1.00 0.94 H new ATOM 0 HG3 GLN A 34 -0.126 9.711 -6.070 1.00 0.94 H new ATOM 0 HE21 GLN A 34 0.920 8.787 -7.921 1.00 0.89 H new ATOM 0 HE22 GLN A 34 2.654 8.981 -8.194 1.00 0.89 H new ATOM 511 N PHE A 35 -2.469 11.767 -5.433 1.00 0.98 N ATOM 512 CA PHE A 35 -3.417 11.010 -4.664 1.00 0.94 C ATOM 513 C PHE A 35 -3.154 9.527 -4.890 1.00 0.94 C ATOM 514 O PHE A 35 -3.636 8.944 -5.854 1.00 1.07 O ATOM 515 CB PHE A 35 -4.814 11.358 -5.152 1.00 1.08 C ATOM 516 CG PHE A 35 -5.387 12.627 -4.577 1.00 1.12 C ATOM 517 CD1 PHE A 35 -4.617 13.775 -4.465 1.00 1.15 C ATOM 518 CD2 PHE A 35 -6.708 12.672 -4.159 1.00 1.39 C ATOM 519 CE1 PHE A 35 -5.151 14.939 -3.948 1.00 1.25 C ATOM 520 CE2 PHE A 35 -7.247 13.832 -3.639 1.00 1.50 C ATOM 521 CZ PHE A 35 -6.467 14.967 -3.534 1.00 1.33 C ATOM 0 H PHE A 35 -2.643 11.769 -6.438 1.00 0.98 H new ATOM 0 HA PHE A 35 -3.326 11.240 -3.602 1.00 0.94 H new ATOM 0 HB2 PHE A 35 -4.793 11.445 -6.238 1.00 1.08 H new ATOM 0 HB3 PHE A 35 -5.484 10.532 -4.912 1.00 1.08 H new ATOM 0 HD1 PHE A 35 -3.586 13.759 -4.786 1.00 1.15 H new ATOM 0 HD2 PHE A 35 -7.323 11.788 -4.241 1.00 1.39 H new ATOM 0 HE1 PHE A 35 -4.540 15.826 -3.868 1.00 1.25 H new ATOM 0 HE2 PHE A 35 -8.277 13.852 -3.315 1.00 1.50 H new ATOM 0 HZ PHE A 35 -6.887 15.876 -3.128 1.00 1.33 H new ATOM 531 N PRO A 36 -2.343 8.912 -4.027 1.00 0.82 N ATOM 532 CA PRO A 36 -2.129 7.478 -4.008 1.00 0.85 C ATOM 533 C PRO A 36 -2.463 6.800 -2.670 1.00 0.77 C ATOM 534 O PRO A 36 -2.235 5.608 -2.500 1.00 0.83 O ATOM 535 CB PRO A 36 -0.629 7.476 -4.172 1.00 0.82 C ATOM 536 CG PRO A 36 -0.202 8.585 -3.256 1.00 0.67 C ATOM 537 CD PRO A 36 -1.360 9.554 -3.171 1.00 0.69 C ATOM 0 HA PRO A 36 -2.741 6.946 -4.737 1.00 0.85 H new ATOM 0 HB2 PRO A 36 -0.190 6.520 -3.885 1.00 0.82 H new ATOM 0 HB3 PRO A 36 -0.333 7.665 -5.204 1.00 0.82 H new ATOM 0 HG2 PRO A 36 0.049 8.196 -2.269 1.00 0.67 H new ATOM 0 HG3 PRO A 36 0.690 9.081 -3.640 1.00 0.67 H new ATOM 0 HD2 PRO A 36 -1.721 9.672 -2.149 1.00 0.69 H new ATOM 0 HD3 PRO A 36 -1.090 10.547 -3.530 1.00 0.69 H new ATOM 545 N GLY A 37 -2.977 7.574 -1.722 1.00 0.67 N ATOM 546 CA GLY A 37 -2.965 7.157 -0.326 1.00 0.60 C ATOM 547 C GLY A 37 -1.934 7.967 0.445 1.00 0.48 C ATOM 548 O GLY A 37 -2.024 8.146 1.648 1.00 0.51 O ATOM 0 H GLY A 37 -3.403 8.485 -1.892 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -3.953 7.296 0.113 1.00 0.60 H new ATOM 0 HA3 GLY A 37 -2.732 6.094 -0.256 1.00 0.60 H new ATOM 552 N ALA A 38 -0.968 8.470 -0.305 1.00 0.45 N ATOM 553 CA ALA A 38 0.055 9.398 0.160 1.00 0.40 C ATOM 554 C ALA A 38 0.903 8.865 1.316 1.00 0.35 C ATOM 555 O ALA A 38 1.924 8.219 1.090 1.00 0.43 O ATOM 556 CB ALA A 38 -0.552 10.745 0.509 1.00 0.41 C ATOM 0 H ALA A 38 -0.869 8.236 -1.293 1.00 0.45 H new ATOM 0 HA ALA A 38 0.742 9.521 -0.677 1.00 0.40 H new ATOM 0 HB1 ALA A 38 0.232 11.419 0.853 1.00 0.41 H new ATOM 0 HB2 ALA A 38 -1.032 11.167 -0.374 1.00 0.41 H new ATOM 0 HB3 ALA A 38 -1.293 10.617 1.298 1.00 0.41 H new ATOM 562 N SER A 39 0.471 9.106 2.544 1.00 0.32 N ATOM 563 CA SER A 39 1.372 9.002 3.684 1.00 0.34 C ATOM 564 C SER A 39 0.813 8.060 4.728 1.00 0.32 C ATOM 565 O SER A 39 1.507 7.647 5.659 1.00 0.48 O ATOM 566 CB SER A 39 1.617 10.387 4.280 1.00 0.41 C ATOM 567 OG SER A 39 2.569 10.346 5.331 1.00 1.11 O ATOM 0 H SER A 39 -0.486 9.372 2.777 1.00 0.32 H new ATOM 0 HA SER A 39 2.323 8.593 3.342 1.00 0.34 H new ATOM 0 HB2 SER A 39 1.966 11.062 3.499 1.00 0.41 H new ATOM 0 HB3 SER A 39 0.678 10.793 4.656 1.00 0.41 H new ATOM 0 HG SER A 39 2.478 9.503 5.822 1.00 1.11 H new ATOM 573 N GLY A 40 -0.444 7.736 4.573 1.00 0.36 N ATOM 574 CA GLY A 40 -1.078 6.791 5.430 1.00 0.35 C ATOM 575 C GLY A 40 -1.456 5.581 4.648 1.00 0.32 C ATOM 576 O GLY A 40 -1.614 5.665 3.431 1.00 0.39 O ATOM 0 H GLY A 40 -1.049 8.123 3.849 1.00 0.36 H new ATOM 0 HA2 GLY A 40 -0.407 6.515 6.244 1.00 0.35 H new ATOM 0 HA3 GLY A 40 -1.964 7.234 5.884 1.00 0.35 H new ATOM 580 N LEU A 41 -1.600 4.456 5.303 1.00 0.28 N ATOM 581 CA LEU A 41 -2.059 3.300 4.600 1.00 0.26 C ATOM 582 C LEU A 41 -3.162 2.583 5.352 1.00 0.25 C ATOM 583 O LEU A 41 -3.165 2.528 6.581 1.00 0.28 O ATOM 584 CB LEU A 41 -0.900 2.349 4.321 1.00 0.29 C ATOM 585 CG LEU A 41 -0.749 1.960 2.855 1.00 0.35 C ATOM 586 CD1 LEU A 41 -2.024 1.346 2.331 1.00 0.56 C ATOM 587 CD2 LEU A 41 -0.372 3.185 2.045 1.00 0.45 C ATOM 0 H LEU A 41 -1.410 4.323 6.296 1.00 0.28 H new ATOM 0 HA LEU A 41 -2.475 3.639 3.651 1.00 0.26 H new ATOM 0 HB2 LEU A 41 0.026 2.814 4.659 1.00 0.29 H new ATOM 0 HB3 LEU A 41 -1.037 1.444 4.913 1.00 0.29 H new ATOM 0 HG LEU A 41 0.041 1.214 2.764 1.00 0.35 H new ATOM 0 HD11 LEU A 41 -1.894 1.076 1.283 1.00 0.56 H new ATOM 0 HD12 LEU A 41 -2.262 0.453 2.909 1.00 0.56 H new ATOM 0 HD13 LEU A 41 -2.838 2.065 2.422 1.00 0.56 H new ATOM 0 HD21 LEU A 41 -0.264 2.909 0.996 1.00 0.45 H new ATOM 0 HD22 LEU A 41 -1.152 3.940 2.142 1.00 0.45 H new ATOM 0 HD23 LEU A 41 0.571 3.588 2.413 1.00 0.45 H new ATOM 599 N ARG A 42 -4.140 2.131 4.597 1.00 0.23 N ATOM 600 CA ARG A 42 -5.069 1.119 5.043 1.00 0.21 C ATOM 601 C ARG A 42 -5.159 0.111 3.934 1.00 0.21 C ATOM 602 O ARG A 42 -4.828 0.448 2.822 1.00 0.27 O ATOM 603 CB ARG A 42 -6.420 1.716 5.309 1.00 0.24 C ATOM 604 CG ARG A 42 -6.341 2.895 6.236 1.00 0.32 C ATOM 605 CD ARG A 42 -7.691 3.548 6.346 1.00 0.39 C ATOM 606 NE ARG A 42 -7.675 4.724 7.218 1.00 0.99 N ATOM 607 CZ ARG A 42 -8.384 5.834 6.994 1.00 1.25 C ATOM 608 NH1 ARG A 42 -9.149 5.938 5.910 1.00 1.20 N ATOM 609 NH2 ARG A 42 -8.317 6.847 7.853 1.00 1.94 N ATOM 0 H ARG A 42 -4.313 2.460 3.647 1.00 0.23 H new ATOM 0 HA ARG A 42 -4.730 0.663 5.973 1.00 0.21 H new ATOM 0 HB2 ARG A 42 -6.872 2.025 4.366 1.00 0.24 H new ATOM 0 HB3 ARG A 42 -7.073 0.958 5.741 1.00 0.24 H new ATOM 0 HG2 ARG A 42 -6.001 2.573 7.220 1.00 0.32 H new ATOM 0 HG3 ARG A 42 -5.609 3.612 5.865 1.00 0.32 H new ATOM 0 HD2 ARG A 42 -8.032 3.841 5.353 1.00 0.39 H new ATOM 0 HD3 ARG A 42 -8.411 2.825 6.730 1.00 0.39 H new ATOM 0 HE ARG A 42 -7.085 4.694 8.049 1.00 0.99 H new ATOM 0 HH11 ARG A 42 -9.197 5.167 5.244 1.00 1.20 H new ATOM 0 HH12 ARG A 42 -9.688 6.788 5.746 1.00 1.20 H new ATOM 0 HH21 ARG A 42 -7.725 6.776 8.681 1.00 1.94 H new ATOM 0 HH22 ARG A 42 -8.857 7.695 7.684 1.00 1.94 H new ATOM 623 N TYR A 43 -5.491 -1.126 4.197 1.00 0.22 N ATOM 624 CA TYR A 43 -5.766 -2.019 3.084 1.00 0.25 C ATOM 625 C TYR A 43 -6.679 -3.154 3.447 1.00 0.33 C ATOM 626 O TYR A 43 -6.880 -3.452 4.634 1.00 0.41 O ATOM 627 CB TYR A 43 -4.476 -2.566 2.511 1.00 0.26 C ATOM 628 CG TYR A 43 -3.709 -3.447 3.469 1.00 0.39 C ATOM 629 CD1 TYR A 43 -2.745 -2.916 4.298 1.00 0.70 C ATOM 630 CD2 TYR A 43 -3.971 -4.808 3.558 1.00 0.98 C ATOM 631 CE1 TYR A 43 -2.054 -3.709 5.191 1.00 0.77 C ATOM 632 CE2 TYR A 43 -3.285 -5.610 4.445 1.00 1.14 C ATOM 633 CZ TYR A 43 -2.328 -5.057 5.261 1.00 0.76 C ATOM 634 OH TYR A 43 -1.640 -5.855 6.147 1.00 0.97 O ATOM 0 H TYR A 43 -5.577 -1.533 5.128 1.00 0.22 H new ATOM 0 HA TYR A 43 -6.282 -1.420 2.334 1.00 0.25 H new ATOM 0 HB2 TYR A 43 -4.702 -3.136 1.610 1.00 0.26 H new ATOM 0 HB3 TYR A 43 -3.841 -1.733 2.210 1.00 0.26 H new ATOM 0 HD1 TYR A 43 -2.526 -1.860 4.248 1.00 0.70 H new ATOM 0 HD2 TYR A 43 -4.725 -5.246 2.921 1.00 0.98 H new ATOM 0 HE1 TYR A 43 -1.301 -3.275 5.832 1.00 0.77 H new ATOM 0 HE2 TYR A 43 -3.499 -6.667 4.498 1.00 1.14 H new ATOM 0 HH TYR A 43 -0.797 -6.144 5.740 1.00 0.97 H new ATOM 644 N ARG A 44 -7.181 -3.794 2.387 1.00 0.35 N ATOM 645 CA ARG A 44 -8.002 -4.981 2.490 1.00 0.43 C ATOM 646 C ARG A 44 -7.131 -6.209 2.282 1.00 0.47 C ATOM 647 O ARG A 44 -6.336 -6.280 1.316 1.00 0.50 O ATOM 648 CB ARG A 44 -9.126 -4.985 1.454 1.00 0.57 C ATOM 649 CG ARG A 44 -10.211 -3.948 1.672 1.00 1.17 C ATOM 650 CD ARG A 44 -11.272 -4.070 0.591 1.00 1.33 C ATOM 651 NE ARG A 44 -12.425 -3.212 0.831 1.00 1.56 N ATOM 652 CZ ARG A 44 -13.548 -3.270 0.119 1.00 1.98 C ATOM 653 NH1 ARG A 44 -13.650 -4.110 -0.906 1.00 2.27 N ATOM 654 NH2 ARG A 44 -14.567 -2.477 0.421 1.00 2.72 N ATOM 0 H ARG A 44 -7.021 -3.491 1.426 1.00 0.35 H new ATOM 0 HA ARG A 44 -8.455 -4.992 3.481 1.00 0.43 H new ATOM 0 HB2 ARG A 44 -8.689 -4.828 0.468 1.00 0.57 H new ATOM 0 HB3 ARG A 44 -9.587 -5.973 1.446 1.00 0.57 H new ATOM 0 HG2 ARG A 44 -10.664 -4.084 2.654 1.00 1.17 H new ATOM 0 HG3 ARG A 44 -9.778 -2.948 1.657 1.00 1.17 H new ATOM 0 HD2 ARG A 44 -10.832 -3.818 -0.374 1.00 1.33 H new ATOM 0 HD3 ARG A 44 -11.603 -5.107 0.529 1.00 1.33 H new ATOM 0 HE ARG A 44 -12.368 -2.529 1.587 1.00 1.56 H new ATOM 0 HH11 ARG A 44 -12.865 -4.714 -1.150 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -14.513 -4.150 -1.448 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -14.490 -1.822 1.199 1.00 2.72 H new ATOM 0 HH22 ARG A 44 -15.427 -2.522 -0.125 1.00 2.72 H new ATOM 668 N ASN A 45 -7.327 -7.171 3.178 1.00 0.55 N ATOM 669 CA ASN A 45 -6.476 -8.339 3.305 1.00 0.90 C ATOM 670 C ASN A 45 -7.310 -9.626 3.292 1.00 1.23 C ATOM 671 O ASN A 45 -8.201 -9.794 4.108 1.00 1.89 O ATOM 672 CB ASN A 45 -5.693 -8.186 4.617 1.00 1.76 C ATOM 673 CG ASN A 45 -4.758 -9.332 4.959 1.00 2.34 C ATOM 674 OD1 ASN A 45 -4.167 -9.966 3.962 1.00 3.04 O flip ATOM 675 ND2 ASN A 45 -4.549 -9.623 6.133 1.00 2.60 N flip ATOM 0 H ASN A 45 -8.097 -7.156 3.847 1.00 0.55 H new ATOM 0 HA ASN A 45 -5.787 -8.412 2.463 1.00 0.90 H new ATOM 0 HB2 ASN A 45 -5.109 -7.267 4.566 1.00 1.76 H new ATOM 0 HB3 ASN A 45 -6.406 -8.066 5.433 1.00 1.76 H new ATOM 0 HD21 ASN A 45 -5.023 -9.112 6.877 1.00 2.60 H new ATOM 0 HD22 ASN A 45 -3.901 -10.376 6.364 1.00 2.60 H new ATOM 682 N PRO A 46 -7.027 -10.541 2.349 1.00 1.76 N ATOM 683 CA PRO A 46 -7.835 -11.760 2.107 1.00 2.54 C ATOM 684 C PRO A 46 -8.132 -12.642 3.335 1.00 2.96 C ATOM 685 O PRO A 46 -9.014 -13.500 3.270 1.00 3.62 O ATOM 686 CB PRO A 46 -6.991 -12.540 1.100 1.00 3.25 C ATOM 687 CG PRO A 46 -6.230 -11.496 0.371 1.00 3.16 C ATOM 688 CD PRO A 46 -5.902 -10.453 1.399 1.00 2.27 C ATOM 0 HA PRO A 46 -8.833 -11.473 1.775 1.00 2.54 H new ATOM 0 HB2 PRO A 46 -6.324 -13.242 1.600 1.00 3.25 H new ATOM 0 HB3 PRO A 46 -7.617 -13.122 0.423 1.00 3.25 H new ATOM 0 HG2 PRO A 46 -5.324 -11.908 -0.074 1.00 3.16 H new ATOM 0 HG3 PRO A 46 -6.821 -11.074 -0.442 1.00 3.16 H new ATOM 0 HD2 PRO A 46 -4.948 -10.656 1.886 1.00 2.27 H new ATOM 0 HD3 PRO A 46 -5.828 -9.460 0.955 1.00 2.27 H new ATOM 696 N VAL A 47 -7.420 -12.458 4.443 1.00 2.80 N ATOM 697 CA VAL A 47 -7.641 -13.291 5.614 1.00 3.37 C ATOM 698 C VAL A 47 -8.669 -12.676 6.544 1.00 3.08 C ATOM 699 O VAL A 47 -9.864 -12.923 6.407 1.00 3.41 O ATOM 700 CB VAL A 47 -6.320 -13.614 6.349 1.00 3.84 C ATOM 701 CG1 VAL A 47 -5.365 -12.434 6.374 1.00 3.33 C ATOM 702 CG2 VAL A 47 -6.573 -14.155 7.748 1.00 4.42 C ATOM 0 H VAL A 47 -6.695 -11.749 4.552 1.00 2.80 H new ATOM 0 HA VAL A 47 -8.047 -14.240 5.264 1.00 3.37 H new ATOM 0 HB VAL A 47 -5.831 -14.401 5.774 1.00 3.84 H new ATOM 0 HG11 VAL A 47 -4.454 -12.715 6.902 1.00 3.33 H new ATOM 0 HG12 VAL A 47 -5.118 -12.144 5.353 1.00 3.33 H new ATOM 0 HG13 VAL A 47 -5.837 -11.595 6.885 1.00 3.33 H new ATOM 0 HG21 VAL A 47 -5.621 -14.370 8.233 1.00 4.42 H new ATOM 0 HG22 VAL A 47 -7.118 -13.413 8.332 1.00 4.42 H new ATOM 0 HG23 VAL A 47 -7.162 -15.070 7.683 1.00 4.42 H new ATOM 712 N SER A 48 -8.215 -11.877 7.475 1.00 2.74 N ATOM 713 CA SER A 48 -9.097 -11.272 8.426 1.00 2.75 C ATOM 714 C SER A 48 -9.371 -9.817 8.060 1.00 1.96 C ATOM 715 O SER A 48 -10.149 -9.119 8.714 1.00 2.33 O ATOM 716 CB SER A 48 -8.501 -11.420 9.815 1.00 3.21 C ATOM 717 OG SER A 48 -8.832 -12.677 10.388 1.00 3.32 O ATOM 0 H SER A 48 -7.232 -11.632 7.591 1.00 2.74 H new ATOM 0 HA SER A 48 -10.063 -11.777 8.414 1.00 2.75 H new ATOM 0 HB2 SER A 48 -7.417 -11.317 9.761 1.00 3.21 H new ATOM 0 HB3 SER A 48 -8.866 -10.618 10.457 1.00 3.21 H new ATOM 0 HG SER A 48 -8.434 -12.745 11.281 1.00 3.32 H new ATOM 723 N GLN A 49 -8.706 -9.392 6.983 1.00 1.21 N ATOM 724 CA GLN A 49 -8.934 -8.111 6.337 1.00 1.14 C ATOM 725 C GLN A 49 -8.912 -6.912 7.261 1.00 1.20 C ATOM 726 O GLN A 49 -9.796 -6.054 7.218 1.00 1.90 O ATOM 727 CB GLN A 49 -10.213 -8.110 5.577 1.00 1.97 C ATOM 728 CG GLN A 49 -10.067 -7.233 4.371 1.00 2.63 C ATOM 729 CD GLN A 49 -10.849 -7.679 3.179 1.00 3.38 C ATOM 730 OE1 GLN A 49 -10.189 -8.460 2.359 1.00 4.20 O flip ATOM 731 NE2 GLN A 49 -12.004 -7.307 2.983 1.00 3.27 N flip ATOM 0 H GLN A 49 -7.979 -9.947 6.531 1.00 1.21 H new ATOM 0 HA GLN A 49 -8.083 -8.001 5.664 1.00 1.14 H new ATOM 0 HB2 GLN A 49 -10.471 -9.125 5.275 1.00 1.97 H new ATOM 0 HB3 GLN A 49 -11.025 -7.749 6.208 1.00 1.97 H new ATOM 0 HG2 GLN A 49 -10.376 -6.221 4.634 1.00 2.63 H new ATOM 0 HG3 GLN A 49 -9.013 -7.184 4.100 1.00 2.63 H new ATOM 0 HE21 GLN A 49 -12.465 -6.698 3.659 1.00 3.27 H new ATOM 0 HE22 GLN A 49 -12.501 -7.607 2.144 1.00 3.27 H new ATOM 740 N SER A 50 -7.910 -6.862 8.075 1.00 0.86 N ATOM 741 CA SER A 50 -7.622 -5.682 8.866 1.00 0.87 C ATOM 742 C SER A 50 -7.319 -4.520 7.931 1.00 0.98 C ATOM 743 O SER A 50 -6.413 -4.626 7.105 1.00 1.72 O ATOM 744 CB SER A 50 -6.421 -5.931 9.760 1.00 0.91 C ATOM 745 OG SER A 50 -6.393 -7.276 10.218 1.00 1.46 O ATOM 0 H SER A 50 -7.258 -7.633 8.220 1.00 0.86 H new ATOM 0 HA SER A 50 -8.485 -5.448 9.489 1.00 0.87 H new ATOM 0 HB2 SER A 50 -5.505 -5.711 9.212 1.00 0.91 H new ATOM 0 HB3 SER A 50 -6.453 -5.254 10.613 1.00 0.91 H new ATOM 0 HG SER A 50 -5.609 -7.410 10.790 1.00 1.46 H new ATOM 751 N MET A 51 -8.093 -3.440 8.028 1.00 0.51 N ATOM 752 CA MET A 51 -7.798 -2.231 7.261 1.00 0.48 C ATOM 753 C MET A 51 -6.522 -1.615 7.799 1.00 0.44 C ATOM 754 O MET A 51 -6.549 -0.638 8.543 1.00 0.59 O ATOM 755 CB MET A 51 -8.937 -1.225 7.327 1.00 0.57 C ATOM 756 CG MET A 51 -10.278 -1.784 6.888 1.00 1.07 C ATOM 757 SD MET A 51 -11.598 -0.557 6.955 1.00 1.84 S ATOM 758 CE MET A 51 -11.631 -0.185 8.706 1.00 2.35 C ATOM 0 H MET A 51 -8.919 -3.377 8.623 1.00 0.51 H new ATOM 0 HA MET A 51 -7.675 -2.504 6.213 1.00 0.48 H new ATOM 0 HB2 MET A 51 -9.025 -0.857 8.349 1.00 0.57 H new ATOM 0 HB3 MET A 51 -8.689 -0.368 6.700 1.00 0.57 H new ATOM 0 HG2 MET A 51 -10.193 -2.165 5.870 1.00 1.07 H new ATOM 0 HG3 MET A 51 -10.541 -2.629 7.524 1.00 1.07 H new ATOM 0 HE1 MET A 51 -12.590 0.265 8.964 1.00 2.35 H new ATOM 0 HE2 MET A 51 -11.496 -1.104 9.276 1.00 2.35 H new ATOM 0 HE3 MET A 51 -10.827 0.511 8.945 1.00 2.35 H new ATOM 768 N ARG A 52 -5.404 -2.200 7.415 1.00 0.35 N ATOM 769 CA ARG A 52 -4.144 -1.941 8.086 1.00 0.36 C ATOM 770 C ARG A 52 -3.263 -1.024 7.275 1.00 0.28 C ATOM 771 O ARG A 52 -3.411 -0.901 6.071 1.00 0.30 O ATOM 772 CB ARG A 52 -3.418 -3.258 8.350 1.00 0.48 C ATOM 773 CG ARG A 52 -2.079 -3.117 9.039 1.00 0.75 C ATOM 774 CD ARG A 52 -1.225 -4.322 8.724 1.00 0.70 C ATOM 775 NE ARG A 52 -0.172 -4.557 9.707 1.00 1.42 N ATOM 776 CZ ARG A 52 0.464 -5.721 9.833 1.00 1.76 C ATOM 777 NH1 ARG A 52 0.129 -6.752 9.063 1.00 1.81 N ATOM 778 NH2 ARG A 52 1.427 -5.859 10.736 1.00 2.48 N ATOM 0 H ARG A 52 -5.342 -2.860 6.640 1.00 0.35 H new ATOM 0 HA ARG A 52 -4.363 -1.446 9.032 1.00 0.36 H new ATOM 0 HB2 ARG A 52 -4.059 -3.894 8.960 1.00 0.48 H new ATOM 0 HB3 ARG A 52 -3.270 -3.772 7.400 1.00 0.48 H new ATOM 0 HG2 ARG A 52 -1.580 -2.207 8.706 1.00 0.75 H new ATOM 0 HG3 ARG A 52 -2.219 -3.028 10.116 1.00 0.75 H new ATOM 0 HD2 ARG A 52 -1.862 -5.205 8.666 1.00 0.70 H new ATOM 0 HD3 ARG A 52 -0.772 -4.191 7.741 1.00 0.70 H new ATOM 0 HE ARG A 52 0.090 -3.792 10.329 1.00 1.42 H new ATOM 0 HH11 ARG A 52 -0.616 -6.653 8.374 1.00 1.81 H new ATOM 0 HH12 ARG A 52 0.617 -7.642 9.161 1.00 1.81 H new ATOM 0 HH21 ARG A 52 1.681 -5.073 11.335 1.00 2.48 H new ATOM 0 HH22 ARG A 52 1.913 -6.751 10.831 1.00 2.48 H new ATOM 792 N GLY A 53 -2.369 -0.376 7.972 1.00 0.32 N ATOM 793 CA GLY A 53 -1.415 0.502 7.358 1.00 0.35 C ATOM 794 C GLY A 53 -0.053 -0.110 7.119 1.00 0.32 C ATOM 795 O GLY A 53 0.348 -1.084 7.757 1.00 0.41 O ATOM 0 H GLY A 53 -2.283 -0.444 8.986 1.00 0.32 H new ATOM 0 HA2 GLY A 53 -1.817 0.843 6.404 1.00 0.35 H new ATOM 0 HA3 GLY A 53 -1.296 1.384 7.987 1.00 0.35 H new ATOM 799 N VAL A 54 0.638 0.506 6.185 1.00 0.31 N ATOM 800 CA VAL A 54 1.972 0.120 5.752 1.00 0.31 C ATOM 801 C VAL A 54 3.019 1.007 6.437 1.00 0.28 C ATOM 802 O VAL A 54 2.758 2.187 6.681 1.00 0.29 O ATOM 803 CB VAL A 54 2.094 0.215 4.209 1.00 0.36 C ATOM 804 CG1 VAL A 54 3.518 -0.071 3.751 1.00 0.40 C ATOM 805 CG2 VAL A 54 1.133 -0.761 3.547 1.00 0.43 C ATOM 0 H VAL A 54 0.277 1.319 5.686 1.00 0.31 H new ATOM 0 HA VAL A 54 2.150 -0.916 6.039 1.00 0.31 H new ATOM 0 HB VAL A 54 1.837 1.232 3.913 1.00 0.36 H new ATOM 0 HG11 VAL A 54 3.573 0.003 2.665 1.00 0.40 H new ATOM 0 HG12 VAL A 54 4.197 0.655 4.199 1.00 0.40 H new ATOM 0 HG13 VAL A 54 3.805 -1.076 4.061 1.00 0.40 H new ATOM 0 HG21 VAL A 54 1.227 -0.686 2.464 1.00 0.43 H new ATOM 0 HG22 VAL A 54 1.371 -1.777 3.862 1.00 0.43 H new ATOM 0 HG23 VAL A 54 0.111 -0.521 3.840 1.00 0.43 H new ATOM 815 N ARG A 55 4.178 0.432 6.781 1.00 0.30 N ATOM 816 CA ARG A 55 5.174 1.129 7.598 1.00 0.33 C ATOM 817 C ARG A 55 5.733 2.344 6.880 1.00 0.33 C ATOM 818 O ARG A 55 6.060 2.268 5.706 1.00 0.36 O ATOM 819 CB ARG A 55 6.351 0.241 7.910 1.00 0.42 C ATOM 820 CG ARG A 55 6.021 -1.125 8.432 1.00 0.63 C ATOM 821 CD ARG A 55 7.272 -1.941 8.335 1.00 1.67 C ATOM 822 NE ARG A 55 7.133 -3.303 8.840 1.00 2.30 N ATOM 823 CZ ARG A 55 8.156 -4.151 8.955 1.00 3.38 C ATOM 824 NH1 ARG A 55 9.390 -3.752 8.678 1.00 4.11 N ATOM 825 NH2 ARG A 55 7.948 -5.386 9.383 1.00 3.89 N ATOM 0 H ARG A 55 4.447 -0.513 6.506 1.00 0.30 H new ATOM 0 HA ARG A 55 4.654 1.422 8.510 1.00 0.33 H new ATOM 0 HB2 ARG A 55 6.947 0.128 7.004 1.00 0.42 H new ATOM 0 HB3 ARG A 55 6.979 0.747 8.643 1.00 0.42 H new ATOM 0 HG2 ARG A 55 5.674 -1.071 9.464 1.00 0.63 H new ATOM 0 HG3 ARG A 55 5.219 -1.578 7.850 1.00 0.63 H new ATOM 0 HD2 ARG A 55 7.587 -1.981 7.292 1.00 1.67 H new ATOM 0 HD3 ARG A 55 8.065 -1.438 8.888 1.00 1.67 H new ATOM 0 HE ARG A 55 6.206 -3.623 9.119 1.00 2.30 H new ATOM 0 HH11 ARG A 55 9.560 -2.793 8.376 1.00 4.11 H new ATOM 0 HH12 ARG A 55 10.169 -4.404 8.767 1.00 4.11 H new ATOM 0 HH21 ARG A 55 7.005 -5.690 9.625 1.00 3.89 H new ATOM 0 HH22 ARG A 55 8.731 -6.034 9.471 1.00 3.89 H new ATOM 839 N LEU A 56 5.845 3.453 7.579 1.00 0.37 N ATOM 840 CA LEU A 56 6.550 4.605 7.040 1.00 0.38 C ATOM 841 C LEU A 56 7.817 4.871 7.853 1.00 0.40 C ATOM 842 O LEU A 56 7.751 5.175 9.046 1.00 0.48 O ATOM 843 CB LEU A 56 5.637 5.835 7.004 1.00 0.45 C ATOM 844 CG LEU A 56 4.924 6.168 8.309 1.00 0.58 C ATOM 845 CD1 LEU A 56 5.369 7.522 8.833 1.00 1.48 C ATOM 846 CD2 LEU A 56 3.417 6.136 8.115 1.00 1.53 C ATOM 0 H LEU A 56 5.462 3.585 8.515 1.00 0.37 H new ATOM 0 HA LEU A 56 6.844 4.389 6.013 1.00 0.38 H new ATOM 0 HB2 LEU A 56 6.233 6.698 6.707 1.00 0.45 H new ATOM 0 HB3 LEU A 56 4.885 5.684 6.229 1.00 0.45 H new ATOM 0 HG LEU A 56 5.191 5.413 9.049 1.00 0.58 H new ATOM 0 HD11 LEU A 56 4.848 7.741 9.765 1.00 1.48 H new ATOM 0 HD12 LEU A 56 6.444 7.507 9.013 1.00 1.48 H new ATOM 0 HD13 LEU A 56 5.135 8.292 8.098 1.00 1.48 H new ATOM 0 HD21 LEU A 56 2.924 6.376 9.057 1.00 1.53 H new ATOM 0 HD22 LEU A 56 3.132 6.868 7.359 1.00 1.53 H new ATOM 0 HD23 LEU A 56 3.113 5.141 7.790 1.00 1.53 H new ATOM 858 N VAL A 57 8.976 4.717 7.214 1.00 0.37 N ATOM 859 CA VAL A 57 10.250 4.856 7.897 1.00 0.42 C ATOM 860 C VAL A 57 11.149 5.827 7.145 1.00 0.44 C ATOM 861 O VAL A 57 11.531 5.552 6.026 1.00 0.43 O ATOM 862 CB VAL A 57 10.988 3.504 7.990 1.00 0.44 C ATOM 863 CG1 VAL A 57 12.111 3.583 9.008 1.00 0.53 C ATOM 864 CG2 VAL A 57 10.030 2.369 8.328 1.00 0.49 C ATOM 0 H VAL A 57 9.053 4.495 6.221 1.00 0.37 H new ATOM 0 HA VAL A 57 10.037 5.226 8.900 1.00 0.42 H new ATOM 0 HB VAL A 57 11.419 3.289 7.012 1.00 0.44 H new ATOM 0 HG11 VAL A 57 12.622 2.622 9.062 1.00 0.53 H new ATOM 0 HG12 VAL A 57 12.820 4.354 8.708 1.00 0.53 H new ATOM 0 HG13 VAL A 57 11.699 3.830 9.986 1.00 0.53 H new ATOM 0 HG21 VAL A 57 10.583 1.431 8.386 1.00 0.49 H new ATOM 0 HG22 VAL A 57 9.553 2.569 9.288 1.00 0.49 H new ATOM 0 HG23 VAL A 57 9.267 2.293 7.553 1.00 0.49 H new ATOM 874 N GLU A 58 11.469 6.956 7.762 1.00 0.53 N ATOM 875 CA GLU A 58 12.396 7.944 7.193 1.00 0.60 C ATOM 876 C GLU A 58 11.995 8.373 5.778 1.00 0.54 C ATOM 877 O GLU A 58 12.852 8.619 4.924 1.00 0.60 O ATOM 878 CB GLU A 58 13.818 7.379 7.186 1.00 0.71 C ATOM 879 CG GLU A 58 14.185 6.724 8.501 1.00 0.78 C ATOM 880 CD GLU A 58 15.585 6.150 8.524 1.00 1.12 C ATOM 881 OE1 GLU A 58 16.508 6.853 8.982 1.00 1.51 O ATOM 882 OE2 GLU A 58 15.774 5.012 8.048 1.00 1.50 O ATOM 0 H GLU A 58 11.096 7.220 8.674 1.00 0.53 H new ATOM 0 HA GLU A 58 12.353 8.832 7.824 1.00 0.60 H new ATOM 0 HB2 GLU A 58 13.912 6.650 6.381 1.00 0.71 H new ATOM 0 HB3 GLU A 58 14.524 8.182 6.973 1.00 0.71 H new ATOM 0 HG2 GLU A 58 14.089 7.458 9.301 1.00 0.78 H new ATOM 0 HG3 GLU A 58 13.472 5.927 8.712 1.00 0.78 H new ATOM 889 N GLY A 59 10.695 8.479 5.535 1.00 0.49 N ATOM 890 CA GLY A 59 10.224 8.881 4.224 1.00 0.49 C ATOM 891 C GLY A 59 9.974 7.702 3.306 1.00 0.45 C ATOM 892 O GLY A 59 9.592 7.879 2.146 1.00 0.51 O ATOM 0 H GLY A 59 9.961 8.295 6.219 1.00 0.49 H new ATOM 0 HA2 GLY A 59 9.303 9.453 4.333 1.00 0.49 H new ATOM 0 HA3 GLY A 59 10.958 9.544 3.766 1.00 0.49 H new ATOM 896 N ILE A 60 10.193 6.497 3.811 1.00 0.38 N ATOM 897 CA ILE A 60 9.946 5.301 3.033 1.00 0.35 C ATOM 898 C ILE A 60 8.670 4.614 3.476 1.00 0.31 C ATOM 899 O ILE A 60 8.314 4.661 4.645 1.00 0.32 O ATOM 900 CB ILE A 60 11.038 4.265 3.175 1.00 0.35 C ATOM 901 CG1 ILE A 60 12.365 4.911 3.436 1.00 0.43 C ATOM 902 CG2 ILE A 60 11.101 3.456 1.900 1.00 0.38 C ATOM 903 CD1 ILE A 60 13.400 3.903 3.780 1.00 0.49 C ATOM 0 H ILE A 60 10.541 6.326 4.755 1.00 0.38 H new ATOM 0 HA ILE A 60 9.889 5.650 2.002 1.00 0.35 H new ATOM 0 HB ILE A 60 10.810 3.619 4.023 1.00 0.35 H new ATOM 0 HG12 ILE A 60 12.679 5.471 2.555 1.00 0.43 H new ATOM 0 HG13 ILE A 60 12.268 5.628 4.251 1.00 0.43 H new ATOM 0 HG21 ILE A 60 11.884 2.703 1.985 1.00 0.38 H new ATOM 0 HG22 ILE A 60 10.142 2.965 1.733 1.00 0.38 H new ATOM 0 HG23 ILE A 60 11.322 4.116 1.061 1.00 0.38 H new ATOM 0 HD11 ILE A 60 14.350 4.405 3.963 1.00 0.49 H new ATOM 0 HD12 ILE A 60 13.097 3.362 4.676 1.00 0.49 H new ATOM 0 HD13 ILE A 60 13.514 3.202 2.953 1.00 0.49 H new ATOM 915 N LEU A 61 7.992 3.974 2.552 1.00 0.31 N ATOM 916 CA LEU A 61 6.890 3.098 2.905 1.00 0.31 C ATOM 917 C LEU A 61 7.393 1.651 2.813 1.00 0.31 C ATOM 918 O LEU A 61 7.763 1.195 1.733 1.00 0.35 O ATOM 919 CB LEU A 61 5.707 3.340 1.962 1.00 0.37 C ATOM 920 CG LEU A 61 4.340 2.910 2.489 1.00 0.69 C ATOM 921 CD1 LEU A 61 3.940 3.756 3.688 1.00 0.94 C ATOM 922 CD2 LEU A 61 3.293 3.007 1.390 1.00 1.07 C ATOM 0 H LEU A 61 8.180 4.040 1.552 1.00 0.31 H new ATOM 0 HA LEU A 61 6.543 3.298 3.919 1.00 0.31 H new ATOM 0 HB2 LEU A 61 5.666 4.403 1.726 1.00 0.37 H new ATOM 0 HB3 LEU A 61 5.898 2.813 1.027 1.00 0.37 H new ATOM 0 HG LEU A 61 4.405 1.871 2.811 1.00 0.69 H new ATOM 0 HD11 LEU A 61 2.963 3.435 4.050 1.00 0.94 H new ATOM 0 HD12 LEU A 61 4.678 3.636 4.481 1.00 0.94 H new ATOM 0 HD13 LEU A 61 3.891 4.804 3.394 1.00 0.94 H new ATOM 0 HD21 LEU A 61 2.324 2.697 1.782 1.00 1.07 H new ATOM 0 HD22 LEU A 61 3.229 4.037 1.038 1.00 1.07 H new ATOM 0 HD23 LEU A 61 3.574 2.357 0.561 1.00 1.07 H new ATOM 934 N HIS A 62 7.444 0.944 3.938 1.00 0.33 N ATOM 935 CA HIS A 62 8.098 -0.359 3.985 1.00 0.38 C ATOM 936 C HIS A 62 7.109 -1.482 4.294 1.00 0.40 C ATOM 937 O HIS A 62 6.175 -1.314 5.093 1.00 0.38 O ATOM 938 CB HIS A 62 9.224 -0.336 5.024 1.00 0.48 C ATOM 939 CG HIS A 62 10.233 -1.434 4.857 1.00 0.63 C ATOM 940 ND1 HIS A 62 11.043 -1.547 3.750 1.00 1.41 N ATOM 941 CD2 HIS A 62 10.570 -2.462 5.668 1.00 1.33 C ATOM 942 CE1 HIS A 62 11.830 -2.596 3.886 1.00 1.50 C ATOM 943 NE2 HIS A 62 11.567 -3.170 5.045 1.00 1.43 N ATOM 0 H HIS A 62 7.043 1.249 4.825 1.00 0.33 H new ATOM 0 HA HIS A 62 8.517 -0.560 2.999 1.00 0.38 H new ATOM 0 HB2 HIS A 62 9.736 0.625 4.968 1.00 0.48 H new ATOM 0 HB3 HIS A 62 8.787 -0.407 6.020 1.00 0.48 H new ATOM 0 HD2 HIS A 62 10.134 -2.685 6.631 1.00 1.33 H new ATOM 0 HE1 HIS A 62 12.566 -2.930 3.170 1.00 1.50 H new ATOM 0 HE2 HIS A 62 12.028 -4.001 5.416 1.00 1.43 H new ATOM 952 N ALA A 63 7.326 -2.618 3.643 1.00 0.54 N ATOM 953 CA ALA A 63 6.562 -3.831 3.890 1.00 0.58 C ATOM 954 C ALA A 63 7.298 -4.728 4.886 1.00 0.68 C ATOM 955 O ALA A 63 8.498 -4.562 5.105 1.00 0.83 O ATOM 956 CB ALA A 63 6.323 -4.571 2.580 1.00 0.72 C ATOM 0 H ALA A 63 8.042 -2.723 2.924 1.00 0.54 H new ATOM 0 HA ALA A 63 5.597 -3.560 4.320 1.00 0.58 H new ATOM 0 HB1 ALA A 63 5.750 -5.478 2.774 1.00 0.72 H new ATOM 0 HB2 ALA A 63 5.767 -3.930 1.896 1.00 0.72 H new ATOM 0 HB3 ALA A 63 7.281 -4.835 2.132 1.00 0.72 H new ATOM 962 N PRO A 64 6.579 -5.672 5.518 1.00 0.81 N ATOM 963 CA PRO A 64 7.141 -6.614 6.489 1.00 1.14 C ATOM 964 C PRO A 64 8.167 -7.552 5.868 1.00 1.27 C ATOM 965 O PRO A 64 8.262 -7.648 4.643 1.00 1.16 O ATOM 966 CB PRO A 64 5.928 -7.402 6.997 1.00 1.29 C ATOM 967 CG PRO A 64 4.754 -6.580 6.607 1.00 1.16 C ATOM 968 CD PRO A 64 5.150 -5.934 5.318 1.00 0.81 C ATOM 0 HA PRO A 64 7.678 -6.092 7.281 1.00 1.14 H new ATOM 0 HB2 PRO A 64 5.884 -8.394 6.547 1.00 1.29 H new ATOM 0 HB3 PRO A 64 5.971 -7.543 8.077 1.00 1.29 H new ATOM 0 HG2 PRO A 64 3.863 -7.196 6.483 1.00 1.16 H new ATOM 0 HG3 PRO A 64 4.523 -5.835 7.368 1.00 1.16 H new ATOM 0 HD2 PRO A 64 4.973 -6.589 4.465 1.00 0.81 H new ATOM 0 HD3 PRO A 64 4.591 -5.016 5.136 1.00 0.81 H new ATOM 976 N ASP A 65 8.923 -8.231 6.724 1.00 1.69 N ATOM 977 CA ASP A 65 10.046 -9.086 6.316 1.00 2.00 C ATOM 978 C ASP A 65 9.725 -9.939 5.108 1.00 1.88 C ATOM 979 O ASP A 65 10.501 -10.036 4.153 1.00 2.05 O ATOM 980 CB ASP A 65 10.314 -10.063 7.446 1.00 2.48 C ATOM 981 CG ASP A 65 11.449 -9.646 8.355 1.00 2.81 C ATOM 982 OD1 ASP A 65 11.181 -9.335 9.539 1.00 2.88 O ATOM 983 OD2 ASP A 65 12.610 -9.630 7.901 1.00 3.12 O ATOM 0 H ASP A 65 8.777 -8.207 7.733 1.00 1.69 H new ATOM 0 HA ASP A 65 10.884 -8.430 6.081 1.00 2.00 H new ATOM 0 HB2 ASP A 65 9.407 -10.175 8.040 1.00 2.48 H new ATOM 0 HB3 ASP A 65 10.540 -11.041 7.022 1.00 2.48 H new ATOM 988 N ALA A 66 8.569 -10.544 5.177 1.00 1.72 N ATOM 989 CA ALA A 66 8.114 -11.472 4.179 1.00 1.72 C ATOM 990 C ALA A 66 7.283 -10.752 3.143 1.00 1.60 C ATOM 991 O ALA A 66 7.445 -10.958 1.939 1.00 2.08 O ATOM 992 CB ALA A 66 7.295 -12.514 4.889 1.00 2.14 C ATOM 0 H ALA A 66 7.908 -10.403 5.941 1.00 1.72 H new ATOM 0 HA ALA A 66 8.953 -11.935 3.660 1.00 1.72 H new ATOM 0 HB1 ALA A 66 6.928 -13.243 4.166 1.00 2.14 H new ATOM 0 HB2 ALA A 66 7.913 -13.019 5.631 1.00 2.14 H new ATOM 0 HB3 ALA A 66 6.450 -12.037 5.385 1.00 2.14 H new ATOM 998 N GLY A 67 6.402 -9.892 3.622 1.00 1.28 N ATOM 999 CA GLY A 67 5.503 -9.201 2.743 1.00 1.56 C ATOM 1000 C GLY A 67 4.372 -10.083 2.265 1.00 1.12 C ATOM 1001 O GLY A 67 4.577 -11.231 1.862 1.00 1.42 O ATOM 0 H GLY A 67 6.297 -9.663 4.610 1.00 1.28 H new ATOM 0 HA2 GLY A 67 5.091 -8.334 3.258 1.00 1.56 H new ATOM 0 HA3 GLY A 67 6.057 -8.827 1.882 1.00 1.56 H new ATOM 1005 N TRP A 68 3.175 -9.539 2.328 1.00 0.81 N ATOM 1006 CA TRP A 68 1.983 -10.226 1.901 1.00 0.98 C ATOM 1007 C TRP A 68 2.014 -10.422 0.395 1.00 1.13 C ATOM 1008 O TRP A 68 2.302 -11.515 -0.100 1.00 1.83 O ATOM 1009 CB TRP A 68 0.767 -9.395 2.291 1.00 1.31 C ATOM 1010 CG TRP A 68 1.088 -8.252 3.213 1.00 1.41 C ATOM 1011 CD1 TRP A 68 0.832 -8.188 4.546 1.00 1.54 C ATOM 1012 CD2 TRP A 68 1.718 -7.002 2.868 1.00 1.97 C ATOM 1013 NE1 TRP A 68 1.257 -6.984 5.047 1.00 1.59 N ATOM 1014 CE2 TRP A 68 1.796 -6.239 4.040 1.00 2.00 C ATOM 1015 CE3 TRP A 68 2.219 -6.457 1.682 1.00 2.82 C ATOM 1016 CZ2 TRP A 68 2.348 -4.960 4.066 1.00 2.75 C ATOM 1017 CZ3 TRP A 68 2.768 -5.191 1.707 1.00 3.69 C ATOM 1018 CH2 TRP A 68 2.827 -4.453 2.892 1.00 3.62 C ATOM 0 H TRP A 68 3.005 -8.597 2.681 1.00 0.81 H new ATOM 0 HA TRP A 68 1.929 -11.203 2.381 1.00 0.98 H new ATOM 0 HB2 TRP A 68 0.301 -9.002 1.387 1.00 1.31 H new ATOM 0 HB3 TRP A 68 0.034 -10.043 2.771 1.00 1.31 H new ATOM 0 HD1 TRP A 68 0.363 -8.970 5.125 1.00 1.54 H new ATOM 0 HE1 TRP A 68 1.182 -6.691 6.021 1.00 1.59 H new ATOM 0 HE3 TRP A 68 2.177 -7.018 0.760 1.00 2.82 H new ATOM 0 HZ2 TRP A 68 2.395 -4.390 4.982 1.00 2.75 H new ATOM 0 HZ3 TRP A 68 3.159 -4.764 0.795 1.00 3.69 H new ATOM 0 HH2 TRP A 68 3.259 -3.463 2.879 1.00 3.62 H new ATOM 1029 N GLY A 69 1.719 -9.354 -0.328 1.00 0.79 N ATOM 1030 CA GLY A 69 1.811 -9.383 -1.753 1.00 1.13 C ATOM 1031 C GLY A 69 1.347 -8.101 -2.374 1.00 1.01 C ATOM 1032 O GLY A 69 2.125 -7.186 -2.594 1.00 1.78 O ATOM 0 H GLY A 69 1.415 -8.462 0.062 1.00 0.79 H new ATOM 0 HA2 GLY A 69 2.844 -9.574 -2.045 1.00 1.13 H new ATOM 0 HA3 GLY A 69 1.213 -10.209 -2.138 1.00 1.13 H new ATOM 1036 N ASN A 70 0.051 -8.030 -2.581 1.00 0.53 N ATOM 1037 CA ASN A 70 -0.570 -6.962 -3.323 1.00 0.40 C ATOM 1038 C ASN A 70 -2.006 -6.832 -2.915 1.00 0.60 C ATOM 1039 O ASN A 70 -2.929 -6.932 -3.723 1.00 1.48 O ATOM 1040 CB ASN A 70 -0.486 -7.146 -4.832 1.00 0.55 C ATOM 1041 CG ASN A 70 -0.847 -8.533 -5.339 1.00 0.70 C ATOM 1042 OD1 ASN A 70 -0.658 -9.548 -4.664 1.00 1.24 O ATOM 1043 ND2 ASN A 70 -1.368 -8.586 -6.550 1.00 0.75 N ATOM 0 H ASN A 70 -0.609 -8.725 -2.232 1.00 0.53 H new ATOM 0 HA ASN A 70 -0.017 -6.054 -3.084 1.00 0.40 H new ATOM 0 HB2 ASN A 70 -1.146 -6.420 -5.307 1.00 0.55 H new ATOM 0 HB3 ASN A 70 0.529 -6.912 -5.154 1.00 0.55 H new ATOM 0 HD21 ASN A 70 -1.628 -9.486 -6.955 1.00 0.75 H new ATOM 0 HD22 ASN A 70 -1.511 -7.727 -7.082 1.00 0.75 H new ATOM 1050 N LEU A 71 -2.168 -6.674 -1.636 1.00 0.45 N ATOM 1051 CA LEU A 71 -3.404 -6.234 -1.055 1.00 0.40 C ATOM 1052 C LEU A 71 -3.848 -4.984 -1.699 1.00 0.36 C ATOM 1053 O LEU A 71 -3.050 -4.260 -2.275 1.00 0.43 O ATOM 1054 CB LEU A 71 -3.156 -5.913 0.369 1.00 0.39 C ATOM 1055 CG LEU A 71 -2.258 -6.924 1.013 1.00 0.50 C ATOM 1056 CD1 LEU A 71 -1.208 -6.217 1.814 1.00 0.90 C ATOM 1057 CD2 LEU A 71 -3.096 -7.887 1.809 1.00 0.84 C ATOM 0 H LEU A 71 -1.432 -6.850 -0.953 1.00 0.45 H new ATOM 0 HA LEU A 71 -4.154 -7.015 -1.179 1.00 0.40 H new ATOM 0 HB2 LEU A 71 -2.706 -4.923 0.447 1.00 0.39 H new ATOM 0 HB3 LEU A 71 -4.105 -5.874 0.905 1.00 0.39 H new ATOM 0 HG LEU A 71 -1.724 -7.518 0.271 1.00 0.50 H new ATOM 0 HD11 LEU A 71 -0.553 -6.951 2.284 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -0.621 -5.574 1.158 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -1.685 -5.611 2.584 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -2.450 -8.627 2.282 1.00 0.84 H new ATOM 0 HD22 LEU A 71 -3.646 -7.342 2.577 1.00 0.84 H new ATOM 0 HD23 LEU A 71 -3.800 -8.390 1.146 1.00 0.84 H new ATOM 1069 N VAL A 72 -5.092 -4.702 -1.509 1.00 0.36 N ATOM 1070 CA VAL A 72 -5.686 -3.528 -2.085 1.00 0.38 C ATOM 1071 C VAL A 72 -5.680 -2.420 -1.045 1.00 0.31 C ATOM 1072 O VAL A 72 -6.415 -2.461 -0.054 1.00 0.31 O ATOM 1073 CB VAL A 72 -7.093 -3.849 -2.562 1.00 0.49 C ATOM 1074 CG1 VAL A 72 -7.779 -4.665 -1.493 1.00 0.73 C ATOM 1075 CG2 VAL A 72 -7.840 -2.574 -2.892 1.00 0.82 C ATOM 0 H VAL A 72 -5.730 -5.272 -0.953 1.00 0.36 H new ATOM 0 HA VAL A 72 -5.116 -3.192 -2.951 1.00 0.38 H new ATOM 0 HB VAL A 72 -7.068 -4.435 -3.481 1.00 0.49 H new ATOM 0 HG11 VAL A 72 -8.792 -4.907 -1.814 1.00 0.73 H new ATOM 0 HG12 VAL A 72 -7.221 -5.586 -1.325 1.00 0.73 H new ATOM 0 HG13 VAL A 72 -7.819 -4.091 -0.567 1.00 0.73 H new ATOM 0 HG21 VAL A 72 -8.846 -2.819 -3.232 1.00 0.82 H new ATOM 0 HG22 VAL A 72 -7.901 -1.947 -2.002 1.00 0.82 H new ATOM 0 HG23 VAL A 72 -7.312 -2.036 -3.679 1.00 0.82 H new ATOM 1085 N TYR A 73 -4.808 -1.461 -1.257 1.00 0.29 N ATOM 1086 CA TYR A 73 -4.602 -0.399 -0.296 1.00 0.26 C ATOM 1087 C TYR A 73 -5.665 0.684 -0.384 1.00 0.27 C ATOM 1088 O TYR A 73 -6.219 0.959 -1.445 1.00 0.30 O ATOM 1089 CB TYR A 73 -3.226 0.217 -0.496 1.00 0.28 C ATOM 1090 CG TYR A 73 -2.103 -0.789 -0.436 1.00 0.28 C ATOM 1091 CD1 TYR A 73 -0.992 -0.666 -1.253 1.00 0.33 C ATOM 1092 CD2 TYR A 73 -2.156 -1.861 0.441 1.00 0.27 C ATOM 1093 CE1 TYR A 73 0.036 -1.582 -1.196 1.00 0.36 C ATOM 1094 CE2 TYR A 73 -1.134 -2.783 0.506 1.00 0.32 C ATOM 1095 CZ TYR A 73 -0.039 -2.639 -0.315 1.00 0.36 C ATOM 1096 OH TYR A 73 0.984 -3.555 -0.256 1.00 0.42 O ATOM 0 H TYR A 73 -4.226 -1.394 -2.092 1.00 0.29 H new ATOM 0 HA TYR A 73 -4.675 -0.845 0.696 1.00 0.26 H new ATOM 0 HB2 TYR A 73 -3.200 0.722 -1.461 1.00 0.28 H new ATOM 0 HB3 TYR A 73 -3.063 0.978 0.267 1.00 0.28 H new ATOM 0 HD1 TYR A 73 -0.930 0.160 -1.946 1.00 0.33 H new ATOM 0 HD2 TYR A 73 -3.015 -1.976 1.086 1.00 0.27 H new ATOM 0 HE1 TYR A 73 0.897 -1.472 -1.839 1.00 0.36 H new ATOM 0 HE2 TYR A 73 -1.192 -3.612 1.196 1.00 0.32 H new ATOM 0 HH TYR A 73 1.189 -3.756 0.681 1.00 0.42 H new ATOM 1106 N VAL A 74 -5.948 1.237 0.782 1.00 0.26 N ATOM 1107 CA VAL A 74 -6.948 2.251 1.012 1.00 0.26 C ATOM 1108 C VAL A 74 -6.272 3.591 1.350 1.00 0.33 C ATOM 1109 O VAL A 74 -5.130 3.608 1.825 1.00 0.34 O ATOM 1110 CB VAL A 74 -7.852 1.750 2.155 1.00 0.23 C ATOM 1111 CG1 VAL A 74 -8.493 2.882 2.938 1.00 0.30 C ATOM 1112 CG2 VAL A 74 -8.908 0.829 1.595 1.00 0.26 C ATOM 0 H VAL A 74 -5.457 0.973 1.636 1.00 0.26 H new ATOM 0 HA VAL A 74 -7.554 2.425 0.123 1.00 0.26 H new ATOM 0 HB VAL A 74 -7.221 1.207 2.859 1.00 0.23 H new ATOM 0 HG11 VAL A 74 -9.118 2.469 3.730 1.00 0.30 H new ATOM 0 HG12 VAL A 74 -7.715 3.506 3.378 1.00 0.30 H new ATOM 0 HG13 VAL A 74 -9.107 3.485 2.269 1.00 0.30 H new ATOM 0 HG21 VAL A 74 -9.547 0.475 2.403 1.00 0.26 H new ATOM 0 HG22 VAL A 74 -9.511 1.369 0.865 1.00 0.26 H new ATOM 0 HG23 VAL A 74 -8.429 -0.022 1.111 1.00 0.26 H new ATOM 1122 N VAL A 75 -6.998 4.693 1.163 1.00 0.44 N ATOM 1123 CA VAL A 75 -6.394 6.020 1.133 1.00 0.59 C ATOM 1124 C VAL A 75 -6.504 6.742 2.478 1.00 0.59 C ATOM 1125 O VAL A 75 -7.595 7.087 2.939 1.00 0.80 O ATOM 1126 CB VAL A 75 -7.017 6.897 0.004 1.00 0.95 C ATOM 1127 CG1 VAL A 75 -8.417 7.396 0.336 1.00 1.84 C ATOM 1128 CG2 VAL A 75 -6.117 8.053 -0.338 1.00 1.70 C ATOM 0 H VAL A 75 -8.009 4.690 1.030 1.00 0.44 H new ATOM 0 HA VAL A 75 -5.335 5.871 0.923 1.00 0.59 H new ATOM 0 HB VAL A 75 -7.112 6.247 -0.866 1.00 0.95 H new ATOM 0 HG11 VAL A 75 -8.793 8.000 -0.490 1.00 1.84 H new ATOM 0 HG12 VAL A 75 -9.079 6.544 0.494 1.00 1.84 H new ATOM 0 HG13 VAL A 75 -8.382 8.002 1.242 1.00 1.84 H new ATOM 0 HG21 VAL A 75 -6.574 8.649 -1.128 1.00 1.70 H new ATOM 0 HG22 VAL A 75 -5.970 8.674 0.546 1.00 1.70 H new ATOM 0 HG23 VAL A 75 -5.154 7.675 -0.680 1.00 1.70 H new ATOM 1138 N ASN A 76 -5.387 6.886 3.160 1.00 0.48 N ATOM 1139 CA ASN A 76 -5.327 7.818 4.275 1.00 0.54 C ATOM 1140 C ASN A 76 -4.112 8.730 4.172 1.00 0.48 C ATOM 1141 O ASN A 76 -3.006 8.264 4.009 1.00 0.45 O ATOM 1142 CB ASN A 76 -5.349 7.094 5.635 1.00 0.67 C ATOM 1143 CG ASN A 76 -4.602 5.778 5.683 1.00 0.97 C ATOM 1144 OD1 ASN A 76 -4.553 5.030 4.713 1.00 1.88 O ATOM 1145 ND2 ASN A 76 -4.024 5.477 6.835 1.00 1.31 N ATOM 0 H ASN A 76 -4.521 6.382 2.970 1.00 0.48 H new ATOM 0 HA ASN A 76 -6.223 8.436 4.217 1.00 0.54 H new ATOM 0 HB2 ASN A 76 -4.927 7.759 6.388 1.00 0.67 H new ATOM 0 HB3 ASN A 76 -6.387 6.913 5.914 1.00 0.67 H new ATOM 0 HD21 ASN A 76 -3.517 4.598 6.937 1.00 1.31 H new ATOM 0 HD22 ASN A 76 -4.086 6.124 7.621 1.00 1.31 H new ATOM 1152 N TYR A 77 -4.319 10.032 4.272 1.00 0.55 N ATOM 1153 CA TYR A 77 -3.218 10.966 4.451 1.00 0.56 C ATOM 1154 C TYR A 77 -3.608 12.077 5.415 1.00 0.68 C ATOM 1155 O TYR A 77 -3.983 13.171 4.958 1.00 1.36 O ATOM 1156 CB TYR A 77 -2.727 11.546 3.132 1.00 0.55 C ATOM 1157 CG TYR A 77 -3.758 11.653 2.032 1.00 0.58 C ATOM 1158 CD1 TYR A 77 -3.857 10.652 1.084 1.00 0.52 C ATOM 1159 CD2 TYR A 77 -4.606 12.749 1.924 1.00 0.70 C ATOM 1160 CE1 TYR A 77 -4.763 10.726 0.057 1.00 0.58 C ATOM 1161 CE2 TYR A 77 -5.527 12.831 0.897 1.00 0.76 C ATOM 1162 CZ TYR A 77 -5.599 11.818 -0.035 1.00 0.70 C ATOM 1163 OH TYR A 77 -6.509 11.895 -1.060 1.00 0.79 O ATOM 1164 OXT TYR A 77 -3.558 11.834 6.638 1.00 1.18 O ATOM 0 H TYR A 77 -5.240 10.468 4.232 1.00 0.55 H new ATOM 0 HA TYR A 77 -2.389 10.403 4.879 1.00 0.56 H new ATOM 0 HB2 TYR A 77 -2.323 12.540 3.323 1.00 0.55 H new ATOM 0 HB3 TYR A 77 -1.902 10.931 2.772 1.00 0.55 H new ATOM 0 HD1 TYR A 77 -3.207 9.793 1.154 1.00 0.52 H new ATOM 0 HD2 TYR A 77 -4.544 13.545 2.651 1.00 0.70 H new ATOM 0 HE1 TYR A 77 -4.821 9.934 -0.675 1.00 0.58 H new ATOM 0 HE2 TYR A 77 -6.186 13.683 0.825 1.00 0.76 H new ATOM 0 HH TYR A 77 -6.088 12.311 -1.841 1.00 0.79 H new TER 1174 TYR A 77