USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 856 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 103 HIS : no HD1:sc= -0.247 K(o=-0.21,f=-2.7!) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.0364 X(o=-0.21,f=-0.31) USER MOD Set 2.1: A 101 THR OG1 : rot 171:sc= 0.972 USER MOD Set 2.2: A 114 THR OG1 : rot 103:sc= 1.13 USER MOD Set 3.1: A 75 ASN : amide:sc= -0.169 K(o=-1.1,f=-5.4!) USER MOD Set 3.2: A 78 SER OG : rot 70:sc= -0.916 USER MOD Set 4.1: A 63 CYS SG : rot 95:sc= 0.575 USER MOD Set 4.2: A 90 CYS SG : rot -101:sc= 1.18 USER MOD Set 5.1: A 43 TYR OH : rot 16:sc= 1.06 USER MOD Set 5.2: A 46 THR OG1 : rot -141:sc= 2.08 USER MOD Set 6.1: A 32 THR OG1 : rot -78:sc= 0.234 USER MOD Set 6.2: A 50 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 26 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.65) USER MOD Single : A 33 TYR OH : rot 151:sc= -0.278 USER MOD Single : A 38 TYR OH : rot 180:sc=-0.00443 USER MOD Single : A 40 ASN : amide:sc= 0.791 K(o=0.79,f=-7.6!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -129:sc= -0.165 (180deg=-0.501) USER MOD Single : A 52 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.021) USER MOD Single : A 53 THR OG1 : rot -126:sc= 1.32 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 1.17 K(o=1.2,f=-0.69) USER MOD Single : A 65 THR OG1 : rot 176:sc= 1.26 USER MOD Single : A 68 GLN : amide:sc= -0.728 X(o=-0.73,f=-0.33) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 159:sc= -2.97 (180deg=-5.69!) USER MOD Single : A 83 ASN : amide:sc= -0.569 K(o=-0.57,f=-0.024) USER MOD Single : A 94 THR OG1 : rot -36:sc= 0.109 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 178:sc= -0.219 (180deg=-0.239) USER MOD Single : A 98 GLN : amide:sc= -0.0281! X(o=-0.028!,f=-0.013) USER MOD Single : A 108 GLN : amide:sc= -0.06 K(o=-0.06,f=-2.1) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 117 GLN : amide:sc= -1.02 X(o=-1,f=-0.94) USER MOD Single : A 120 MET CE :methyl 176:sc= 0 (180deg=-0.00784) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -6.156 -19.780 2.695 1.00 0.00 N ATOM 2 CA GLY A 25 -5.086 -20.380 3.505 1.00 0.00 C ATOM 3 C GLY A 25 -5.161 -19.897 4.941 1.00 0.00 C ATOM 4 O GLY A 25 -6.115 -20.220 5.652 1.00 0.00 O ATOM 0 HA2 GLY A 25 -5.169 -21.466 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.115 -20.123 3.081 1.00 0.00 H new ATOM 8 N GLN A 26 -4.142 -19.161 5.402 1.00 0.00 N ATOM 9 CA GLN A 26 -4.084 -18.608 6.750 1.00 0.00 C ATOM 10 C GLN A 26 -3.152 -17.400 6.778 1.00 0.00 C ATOM 11 O GLN A 26 -2.803 -16.852 5.734 1.00 0.00 O ATOM 12 CB GLN A 26 -3.746 -19.676 7.817 1.00 0.00 C ATOM 13 CG GLN A 26 -2.512 -20.538 7.541 1.00 0.00 C ATOM 14 CD GLN A 26 -2.822 -21.673 6.565 1.00 0.00 C ATOM 15 OE1 GLN A 26 -3.801 -22.399 6.720 1.00 0.00 O ATOM 16 NE2 GLN A 26 -2.042 -21.800 5.506 1.00 0.00 N ATOM 0 H GLN A 26 -3.325 -18.933 4.836 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.079 -18.258 7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.606 -19.173 8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.607 -20.335 7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.716 -19.914 7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.142 -20.955 8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.233 -21.189 5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.249 -22.509 4.802 1.00 0.00 H new ATOM 25 N GLU A 27 -2.801 -16.955 7.977 1.00 0.00 N ATOM 26 CA GLU A 27 -1.871 -15.895 8.270 1.00 0.00 C ATOM 27 C GLU A 27 -0.445 -16.429 8.163 1.00 0.00 C ATOM 28 O GLU A 27 -0.104 -17.429 8.809 1.00 0.00 O ATOM 29 CB GLU A 27 -2.244 -15.369 9.669 1.00 0.00 C ATOM 30 CG GLU A 27 -1.394 -14.179 10.117 1.00 0.00 C ATOM 31 CD GLU A 27 -0.520 -14.367 11.369 1.00 0.00 C ATOM 32 OE1 GLU A 27 -0.031 -15.492 11.644 1.00 0.00 O ATOM 33 OE2 GLU A 27 -0.270 -13.356 12.059 1.00 0.00 O ATOM 0 H GLU A 27 -3.193 -17.362 8.826 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.923 -15.066 7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.294 -15.077 9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.136 -16.176 10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.742 -13.900 9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.062 -13.336 10.295 1.00 0.00 H new ATOM 41 N LEU A 28 0.373 -15.793 7.313 1.00 0.00 N ATOM 42 CA LEU A 28 1.801 -16.073 7.174 1.00 0.00 C ATOM 43 C LEU A 28 2.750 -14.851 7.023 1.00 0.00 C ATOM 44 O LEU A 28 3.386 -14.687 5.978 1.00 0.00 O ATOM 45 CB LEU A 28 2.056 -17.175 6.111 1.00 0.00 C ATOM 46 CG LEU A 28 1.429 -17.070 4.691 1.00 0.00 C ATOM 47 CD1 LEU A 28 0.100 -17.827 4.609 1.00 0.00 C ATOM 48 CD2 LEU A 28 1.202 -15.650 4.159 1.00 0.00 C ATOM 0 H LEU A 28 0.048 -15.053 6.690 1.00 0.00 H new ATOM 0 HA LEU A 28 2.089 -16.455 8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.135 -17.250 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.720 -18.119 6.541 1.00 0.00 H new ATOM 0 HG LEU A 28 2.190 -17.522 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.311 -17.733 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.266 -18.880 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.603 -17.407 5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.762 -15.701 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.528 -15.115 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.155 -15.124 4.108 1.00 0.00 H new ATOM 60 N PRO A 29 2.878 -13.971 8.035 1.00 0.00 N ATOM 61 CA PRO A 29 3.733 -12.787 8.006 1.00 0.00 C ATOM 62 C PRO A 29 5.169 -13.028 8.501 1.00 0.00 C ATOM 63 O PRO A 29 5.376 -13.100 9.718 1.00 0.00 O ATOM 64 CB PRO A 29 3.040 -11.754 8.892 1.00 0.00 C ATOM 65 CG PRO A 29 2.270 -12.601 9.905 1.00 0.00 C ATOM 66 CD PRO A 29 1.924 -13.850 9.110 1.00 0.00 C ATOM 0 HA PRO A 29 3.851 -12.461 6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.761 -11.100 9.383 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.372 -11.115 8.314 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.876 -12.834 10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.377 -12.090 10.263 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.958 -14.731 9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.911 -13.782 8.715 1.00 0.00 H new ATOM 74 N PRO A 30 6.176 -13.092 7.616 1.00 0.00 N ATOM 75 CA PRO A 30 7.576 -12.965 7.993 1.00 0.00 C ATOM 76 C PRO A 30 7.937 -11.573 8.523 1.00 0.00 C ATOM 77 O PRO A 30 8.892 -11.459 9.291 1.00 0.00 O ATOM 78 CB PRO A 30 8.354 -13.228 6.699 1.00 0.00 C ATOM 79 CG PRO A 30 7.390 -12.824 5.593 1.00 0.00 C ATOM 80 CD PRO A 30 6.073 -13.306 6.186 1.00 0.00 C ATOM 0 HA PRO A 30 7.809 -13.658 8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.272 -12.642 6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.641 -14.276 6.613 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.394 -11.749 5.411 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.620 -13.309 4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.232 -12.753 5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.906 -14.359 5.960 1.00 0.00 H new ATOM 88 N GLY A 31 7.219 -10.525 8.114 1.00 0.00 N ATOM 89 CA GLY A 31 7.617 -9.129 8.244 1.00 0.00 C ATOM 90 C GLY A 31 7.596 -8.459 6.870 1.00 0.00 C ATOM 91 O GLY A 31 6.579 -7.878 6.478 1.00 0.00 O ATOM 0 H GLY A 31 6.309 -10.634 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.941 -8.610 8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.616 -9.064 8.676 1.00 0.00 H new ATOM 95 N THR A 32 8.687 -8.582 6.112 1.00 0.00 N ATOM 96 CA THR A 32 8.889 -7.907 4.831 1.00 0.00 C ATOM 97 C THR A 32 9.046 -8.954 3.730 1.00 0.00 C ATOM 98 O THR A 32 9.552 -10.059 3.956 1.00 0.00 O ATOM 99 CB THR A 32 10.090 -6.927 4.910 1.00 0.00 C ATOM 100 OG1 THR A 32 10.074 -6.133 6.089 1.00 0.00 O ATOM 101 CG2 THR A 32 10.183 -5.951 3.720 1.00 0.00 C ATOM 0 H THR A 32 9.476 -9.170 6.381 1.00 0.00 H new ATOM 0 HA THR A 32 8.018 -7.299 4.588 1.00 0.00 H new ATOM 0 HB THR A 32 10.952 -7.594 4.902 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.429 -5.403 5.983 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.048 -5.300 3.850 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.290 -6.516 2.794 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.277 -5.346 3.674 1.00 0.00 H new ATOM 109 N TYR A 33 8.582 -8.595 2.535 1.00 0.00 N ATOM 110 CA TYR A 33 8.762 -9.316 1.285 1.00 0.00 C ATOM 111 C TYR A 33 8.831 -8.278 0.153 1.00 0.00 C ATOM 112 O TYR A 33 8.500 -7.114 0.378 1.00 0.00 O ATOM 113 CB TYR A 33 7.633 -10.351 1.121 1.00 0.00 C ATOM 114 CG TYR A 33 6.308 -9.882 0.538 1.00 0.00 C ATOM 115 CD1 TYR A 33 5.620 -8.793 1.096 1.00 0.00 C ATOM 116 CD2 TYR A 33 5.719 -10.579 -0.528 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.340 -8.429 0.659 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.483 -10.159 -1.044 1.00 0.00 C ATOM 119 CZ TYR A 33 3.772 -9.108 -0.434 1.00 0.00 C ATOM 120 OH TYR A 33 2.537 -8.772 -0.888 1.00 0.00 O ATOM 0 H TYR A 33 8.038 -7.741 2.410 1.00 0.00 H new ATOM 0 HA TYR A 33 9.690 -9.887 1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.008 -11.156 0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.431 -10.782 2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.090 -8.221 1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.217 -11.439 -0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.797 -7.638 1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.074 -10.646 -1.917 1.00 0.00 H new ATOM 0 HH TYR A 33 2.477 -8.965 -1.847 1.00 0.00 H new ATOM 130 N ARG A 34 9.261 -8.643 -1.061 1.00 0.00 N ATOM 131 CA ARG A 34 9.593 -7.662 -2.100 1.00 0.00 C ATOM 132 C ARG A 34 9.110 -8.131 -3.458 1.00 0.00 C ATOM 133 O ARG A 34 9.607 -9.127 -3.991 1.00 0.00 O ATOM 134 CB ARG A 34 11.098 -7.406 -2.029 1.00 0.00 C ATOM 135 CG ARG A 34 11.596 -6.226 -2.862 1.00 0.00 C ATOM 136 CD ARG A 34 12.006 -6.609 -4.278 1.00 0.00 C ATOM 137 NE ARG A 34 13.110 -5.771 -4.783 1.00 0.00 N ATOM 138 CZ ARG A 34 13.732 -5.968 -5.952 1.00 0.00 C ATOM 139 NH1 ARG A 34 13.287 -6.901 -6.791 1.00 0.00 N ATOM 140 NH2 ARG A 34 14.788 -5.238 -6.293 1.00 0.00 N ATOM 0 H ARG A 34 9.387 -9.614 -1.348 1.00 0.00 H new ATOM 0 HA ARG A 34 9.079 -6.715 -1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.373 -7.237 -0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.619 -8.306 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.812 -5.470 -2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.447 -5.769 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.309 -7.656 -4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.147 -6.514 -4.942 1.00 0.00 H new ATOM 0 HE ARG A 34 13.420 -4.991 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.474 -7.464 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.759 -7.053 -7.682 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.135 -4.516 -5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.252 -5.399 -7.187 1.00 0.00 H new ATOM 154 N VAL A 35 8.101 -7.448 -3.989 1.00 0.00 N ATOM 155 CA VAL A 35 7.198 -7.999 -5.005 1.00 0.00 C ATOM 156 C VAL A 35 6.748 -6.914 -5.990 1.00 0.00 C ATOM 157 O VAL A 35 7.059 -5.737 -5.799 1.00 0.00 O ATOM 158 CB VAL A 35 6.007 -8.695 -4.324 1.00 0.00 C ATOM 159 CG1 VAL A 35 6.505 -9.919 -3.548 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.187 -7.774 -3.411 1.00 0.00 C ATOM 0 H VAL A 35 7.881 -6.487 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 35 7.734 -8.747 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 35 5.326 -9.001 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.661 -10.412 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.987 -10.614 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.222 -9.603 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.366 -8.338 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.827 -7.383 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.785 -6.946 -3.995 1.00 0.00 H new ATOM 170 N ASP A 36 6.005 -7.288 -7.040 1.00 0.00 N ATOM 171 CA ASP A 36 5.807 -6.473 -8.253 1.00 0.00 C ATOM 172 C ASP A 36 4.576 -5.552 -8.108 1.00 0.00 C ATOM 173 O ASP A 36 3.626 -5.697 -8.864 1.00 0.00 O ATOM 174 CB ASP A 36 5.706 -7.454 -9.454 1.00 0.00 C ATOM 175 CG ASP A 36 6.682 -7.148 -10.589 1.00 0.00 C ATOM 176 OD1 ASP A 36 7.902 -7.121 -10.315 1.00 0.00 O ATOM 177 OD2 ASP A 36 6.277 -7.097 -11.770 1.00 0.00 O ATOM 0 H ASP A 36 5.514 -8.182 -7.074 1.00 0.00 H new ATOM 0 HA ASP A 36 6.645 -5.796 -8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.885 -8.468 -9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.689 -7.429 -9.846 1.00 0.00 H new ATOM 183 N ILE A 37 4.456 -4.813 -6.992 1.00 0.00 N ATOM 184 CA ILE A 37 3.195 -4.301 -6.390 1.00 0.00 C ATOM 185 C ILE A 37 2.217 -3.800 -7.476 1.00 0.00 C ATOM 186 O ILE A 37 2.586 -3.034 -8.373 1.00 0.00 O ATOM 187 CB ILE A 37 3.552 -3.164 -5.411 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.416 -3.697 -4.243 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.312 -2.423 -4.875 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.455 -2.662 -3.818 1.00 0.00 C ATOM 0 H ILE A 37 5.275 -4.537 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 37 2.693 -5.109 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 37 4.132 -2.436 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.776 -3.945 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.916 -4.617 -4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.627 -1.634 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.763 -1.984 -5.708 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.668 -3.126 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.050 -3.060 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.108 -2.434 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.950 -1.752 -3.494 1.00 0.00 H new ATOM 202 N TYR A 38 0.965 -4.239 -7.379 1.00 0.00 N ATOM 203 CA TYR A 38 -0.116 -4.084 -8.341 1.00 0.00 C ATOM 204 C TYR A 38 -1.293 -3.398 -7.634 1.00 0.00 C ATOM 205 O TYR A 38 -1.577 -3.685 -6.472 1.00 0.00 O ATOM 206 CB TYR A 38 -0.501 -5.489 -8.859 1.00 0.00 C ATOM 207 CG TYR A 38 -0.115 -5.761 -10.300 1.00 0.00 C ATOM 208 CD1 TYR A 38 -0.984 -5.396 -11.343 1.00 0.00 C ATOM 209 CD2 TYR A 38 1.111 -6.383 -10.598 1.00 0.00 C ATOM 210 CE1 TYR A 38 -0.612 -5.623 -12.682 1.00 0.00 C ATOM 211 CE2 TYR A 38 1.517 -6.566 -11.929 1.00 0.00 C ATOM 212 CZ TYR A 38 0.656 -6.178 -12.978 1.00 0.00 C ATOM 213 OH TYR A 38 1.067 -6.272 -14.271 1.00 0.00 O ATOM 0 H TYR A 38 0.658 -4.755 -6.555 1.00 0.00 H new ATOM 0 HA TYR A 38 0.179 -3.470 -9.192 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.029 -6.238 -8.223 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.579 -5.617 -8.755 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.937 -4.941 -11.117 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.747 -6.723 -9.794 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.293 -5.374 -13.482 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.481 -7.000 -12.149 1.00 0.00 H new ATOM 0 HH TYR A 38 1.960 -6.674 -14.302 1.00 0.00 H new ATOM 223 N LEU A 39 -1.982 -2.491 -8.328 1.00 0.00 N ATOM 224 CA LEU A 39 -3.134 -1.723 -7.858 1.00 0.00 C ATOM 225 C LEU A 39 -4.182 -1.630 -8.960 1.00 0.00 C ATOM 226 O LEU A 39 -3.857 -1.220 -10.073 1.00 0.00 O ATOM 227 CB LEU A 39 -2.676 -0.315 -7.449 1.00 0.00 C ATOM 228 CG LEU A 39 -3.870 0.584 -7.073 1.00 0.00 C ATOM 229 CD1 LEU A 39 -3.735 1.137 -5.673 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.091 1.734 -8.052 1.00 0.00 C ATOM 0 H LEU A 39 -1.735 -2.260 -9.290 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.575 -2.224 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.993 -0.386 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.121 0.140 -8.269 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.743 -0.067 -7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.596 1.766 -5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.688 0.314 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.824 1.731 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.946 2.328 -7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.202 2.364 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.283 1.333 -9.047 1.00 0.00 H new ATOM 242 N ASN A 40 -5.440 -1.950 -8.647 1.00 0.00 N ATOM 243 CA ASN A 40 -6.570 -1.945 -9.588 1.00 0.00 C ATOM 244 C ASN A 40 -6.191 -2.599 -10.916 1.00 0.00 C ATOM 245 O ASN A 40 -6.629 -2.152 -11.980 1.00 0.00 O ATOM 246 CB ASN A 40 -7.132 -0.519 -9.802 1.00 0.00 C ATOM 247 CG ASN A 40 -7.773 0.125 -8.584 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.201 -0.544 -7.655 1.00 0.00 O ATOM 249 ND2 ASN A 40 -7.861 1.441 -8.555 1.00 0.00 N ATOM 0 H ASN A 40 -5.712 -2.229 -7.704 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.365 -2.541 -9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.321 0.124 -10.146 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.871 -0.556 -10.602 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.288 1.906 -7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.502 1.993 -9.334 1.00 0.00 H new ATOM 256 N ASN A 41 -5.375 -3.655 -10.857 1.00 0.00 N ATOM 257 CA ASN A 41 -4.853 -4.376 -12.003 1.00 0.00 C ATOM 258 C ASN A 41 -4.269 -3.407 -13.040 1.00 0.00 C ATOM 259 O ASN A 41 -4.744 -3.327 -14.169 1.00 0.00 O ATOM 260 CB ASN A 41 -5.923 -5.347 -12.523 1.00 0.00 C ATOM 261 CG ASN A 41 -5.981 -6.589 -11.643 1.00 0.00 C ATOM 262 OD1 ASN A 41 -5.182 -7.502 -11.808 1.00 0.00 O ATOM 263 ND2 ASN A 41 -6.862 -6.622 -10.655 1.00 0.00 N ATOM 0 H ASN A 41 -5.052 -4.040 -9.970 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.004 -4.999 -11.721 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.896 -4.855 -12.534 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.697 -5.631 -13.551 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.882 -7.417 -10.016 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.520 -5.852 -10.533 1.00 0.00 H new ATOM 270 N GLY A 42 -3.254 -2.628 -12.638 1.00 0.00 N ATOM 271 CA GLY A 42 -2.613 -1.639 -13.513 1.00 0.00 C ATOM 272 C GLY A 42 -1.079 -1.657 -13.537 1.00 0.00 C ATOM 273 O GLY A 42 -0.505 -0.904 -14.322 1.00 0.00 O ATOM 0 H GLY A 42 -2.856 -2.667 -11.700 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.974 -1.794 -14.530 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.940 -0.646 -13.206 1.00 0.00 H new ATOM 277 N TYR A 43 -0.420 -2.486 -12.716 1.00 0.00 N ATOM 278 CA TYR A 43 0.979 -2.441 -12.264 1.00 0.00 C ATOM 279 C TYR A 43 1.393 -1.092 -11.661 1.00 0.00 C ATOM 280 O TYR A 43 0.845 -0.043 -12.013 1.00 0.00 O ATOM 281 CB TYR A 43 1.936 -2.878 -13.386 1.00 0.00 C ATOM 282 CG TYR A 43 3.393 -3.037 -12.976 1.00 0.00 C ATOM 283 CD1 TYR A 43 3.765 -3.713 -11.792 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.392 -2.473 -13.788 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.115 -3.758 -11.393 1.00 0.00 C ATOM 286 CE2 TYR A 43 5.742 -2.558 -13.421 1.00 0.00 C ATOM 287 CZ TYR A 43 6.111 -3.179 -12.209 1.00 0.00 C ATOM 288 OH TYR A 43 7.416 -3.138 -11.820 1.00 0.00 O ATOM 0 H TYR A 43 -0.903 -3.287 -12.310 1.00 0.00 H new ATOM 0 HA TYR A 43 1.054 -3.158 -11.446 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.585 -3.827 -13.791 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.881 -2.147 -14.193 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.010 -4.197 -11.190 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.117 -1.970 -14.703 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.388 -4.235 -10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.502 -2.147 -14.068 1.00 0.00 H new ATOM 0 HH TYR A 43 7.556 -3.764 -11.079 1.00 0.00 H new ATOM 298 N MET A 44 2.345 -1.116 -10.726 1.00 0.00 N ATOM 299 CA MET A 44 2.966 0.070 -10.158 1.00 0.00 C ATOM 300 C MET A 44 4.482 -0.078 -10.273 1.00 0.00 C ATOM 301 O MET A 44 5.049 0.188 -11.339 1.00 0.00 O ATOM 302 CB MET A 44 2.481 0.337 -8.713 1.00 0.00 C ATOM 303 CG MET A 44 1.033 0.822 -8.679 1.00 0.00 C ATOM 304 SD MET A 44 0.869 2.443 -9.479 1.00 0.00 S ATOM 305 CE MET A 44 -0.806 2.305 -10.103 1.00 0.00 C ATOM 0 H MET A 44 2.711 -1.985 -10.337 1.00 0.00 H new ATOM 0 HA MET A 44 2.664 0.955 -10.718 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.572 -0.576 -8.125 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.125 1.082 -8.246 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.392 0.098 -9.182 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.692 0.887 -7.646 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.822 2.563 -11.162 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.159 1.282 -9.973 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.456 2.986 -9.554 1.00 0.00 H new ATOM 315 N ALA A 45 5.132 -0.527 -9.195 1.00 0.00 N ATOM 316 CA ALA A 45 6.583 -0.680 -9.137 1.00 0.00 C ATOM 317 C ALA A 45 6.951 -1.768 -8.144 1.00 0.00 C ATOM 318 O ALA A 45 6.200 -2.039 -7.206 1.00 0.00 O ATOM 319 CB ALA A 45 7.263 0.631 -8.723 1.00 0.00 C ATOM 0 H ALA A 45 4.659 -0.796 -8.332 1.00 0.00 H new ATOM 0 HA ALA A 45 6.930 -0.954 -10.133 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.343 0.486 -8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.024 1.409 -9.448 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.906 0.931 -7.738 1.00 0.00 H new ATOM 325 N THR A 46 8.128 -2.350 -8.328 1.00 0.00 N ATOM 326 CA THR A 46 8.576 -3.528 -7.617 1.00 0.00 C ATOM 327 C THR A 46 9.454 -3.072 -6.453 1.00 0.00 C ATOM 328 O THR A 46 10.616 -2.709 -6.653 1.00 0.00 O ATOM 329 CB THR A 46 9.272 -4.457 -8.623 1.00 0.00 C ATOM 330 OG1 THR A 46 8.403 -4.656 -9.727 1.00 0.00 O ATOM 331 CG2 THR A 46 9.688 -5.808 -8.027 1.00 0.00 C ATOM 0 H THR A 46 8.814 -2.001 -8.997 1.00 0.00 H new ATOM 0 HA THR A 46 7.760 -4.105 -7.181 1.00 0.00 H new ATOM 0 HB THR A 46 10.198 -3.972 -8.932 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.460 -5.588 -10.024 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.173 -6.411 -8.795 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.382 -5.644 -7.203 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.805 -6.331 -7.659 1.00 0.00 H new ATOM 339 N ARG A 47 8.898 -3.025 -5.238 1.00 0.00 N ATOM 340 CA ARG A 47 9.563 -2.517 -4.036 1.00 0.00 C ATOM 341 C ARG A 47 9.233 -3.416 -2.849 1.00 0.00 C ATOM 342 O ARG A 47 8.450 -4.364 -2.979 1.00 0.00 O ATOM 343 CB ARG A 47 9.140 -1.054 -3.767 1.00 0.00 C ATOM 344 CG ARG A 47 9.720 -0.012 -4.739 1.00 0.00 C ATOM 345 CD ARG A 47 11.251 0.057 -4.642 1.00 0.00 C ATOM 346 NE ARG A 47 11.799 1.127 -5.486 1.00 0.00 N ATOM 347 CZ ARG A 47 12.695 2.065 -5.169 1.00 0.00 C ATOM 348 NH1 ARG A 47 13.146 2.211 -3.925 1.00 0.00 N ATOM 349 NH2 ARG A 47 13.115 2.872 -6.135 1.00 0.00 N ATOM 0 H ARG A 47 7.947 -3.348 -5.060 1.00 0.00 H new ATOM 0 HA ARG A 47 10.643 -2.528 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.052 -0.995 -3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.439 -0.787 -2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.430 -0.263 -5.759 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.296 0.968 -4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.543 0.225 -3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.679 -0.899 -4.943 1.00 0.00 H new ATOM 0 HE ARG A 47 11.448 1.158 -6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.807 1.597 -3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.831 2.937 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.754 2.764 -7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.799 3.600 -5.930 1.00 0.00 H new ATOM 363 N ASP A 48 9.890 -3.165 -1.716 1.00 0.00 N ATOM 364 CA ASP A 48 9.661 -3.895 -0.474 1.00 0.00 C ATOM 365 C ASP A 48 8.288 -3.539 0.066 1.00 0.00 C ATOM 366 O ASP A 48 7.759 -2.452 -0.189 1.00 0.00 O ATOM 367 CB ASP A 48 10.744 -3.638 0.579 1.00 0.00 C ATOM 368 CG ASP A 48 12.084 -4.105 0.043 1.00 0.00 C ATOM 369 OD1 ASP A 48 12.703 -3.330 -0.720 1.00 0.00 O ATOM 370 OD2 ASP A 48 12.439 -5.284 0.272 1.00 0.00 O ATOM 0 H ASP A 48 10.604 -2.440 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 48 9.709 -4.960 -0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.786 -2.576 0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.504 -4.167 1.501 1.00 0.00 H new ATOM 376 N VAL A 49 7.712 -4.468 0.813 1.00 0.00 N ATOM 377 CA VAL A 49 6.396 -4.393 1.401 1.00 0.00 C ATOM 378 C VAL A 49 6.522 -5.048 2.767 1.00 0.00 C ATOM 379 O VAL A 49 6.772 -6.250 2.849 1.00 0.00 O ATOM 380 CB VAL A 49 5.369 -5.114 0.499 1.00 0.00 C ATOM 381 CG1 VAL A 49 3.929 -4.812 0.940 1.00 0.00 C ATOM 382 CG2 VAL A 49 5.476 -4.791 -0.995 1.00 0.00 C ATOM 0 H VAL A 49 8.184 -5.344 1.034 1.00 0.00 H new ATOM 0 HA VAL A 49 6.040 -3.368 1.501 1.00 0.00 H new ATOM 0 HB VAL A 49 5.614 -6.169 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.231 -5.334 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.785 -5.149 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.748 -3.739 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.714 -5.345 -1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.327 -3.722 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.463 -5.076 -1.359 1.00 0.00 H new ATOM 392 N THR A 50 6.390 -4.280 3.838 1.00 0.00 N ATOM 393 CA THR A 50 6.136 -4.857 5.146 1.00 0.00 C ATOM 394 C THR A 50 4.623 -5.057 5.251 1.00 0.00 C ATOM 395 O THR A 50 3.840 -4.272 4.703 1.00 0.00 O ATOM 396 CB THR A 50 6.709 -3.947 6.238 1.00 0.00 C ATOM 397 OG1 THR A 50 8.087 -3.738 5.998 1.00 0.00 O ATOM 398 CG2 THR A 50 6.574 -4.584 7.621 1.00 0.00 C ATOM 0 H THR A 50 6.454 -3.262 3.826 1.00 0.00 H new ATOM 0 HA THR A 50 6.629 -5.820 5.280 1.00 0.00 H new ATOM 0 HB THR A 50 6.153 -3.010 6.214 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.456 -3.155 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.990 -3.913 8.373 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.521 -4.764 7.838 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.115 -5.530 7.640 1.00 0.00 H new ATOM 406 N PHE A 51 4.181 -6.125 5.910 1.00 0.00 N ATOM 407 CA PHE A 51 2.793 -6.430 6.157 1.00 0.00 C ATOM 408 C PHE A 51 2.727 -7.076 7.532 1.00 0.00 C ATOM 409 O PHE A 51 3.705 -7.671 7.986 1.00 0.00 O ATOM 410 CB PHE A 51 2.251 -7.332 5.039 1.00 0.00 C ATOM 411 CG PHE A 51 3.069 -8.568 4.743 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.349 -8.478 4.170 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.532 -9.818 5.059 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.114 -9.634 3.974 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.248 -10.989 4.733 1.00 0.00 C ATOM 416 CZ PHE A 51 4.544 -10.885 4.209 1.00 0.00 C ATOM 0 H PHE A 51 4.814 -6.824 6.298 1.00 0.00 H new ATOM 0 HA PHE A 51 2.164 -5.540 6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.240 -7.642 5.305 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.174 -6.742 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.743 -7.515 3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.573 -9.888 5.551 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.139 -9.558 3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.800 -11.960 4.886 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.105 -11.780 3.986 1.00 0.00 H new ATOM 426 N ASN A 52 1.600 -6.918 8.210 1.00 0.00 N ATOM 427 CA ASN A 52 1.437 -7.245 9.621 1.00 0.00 C ATOM 428 C ASN A 52 0.026 -7.782 9.786 1.00 0.00 C ATOM 429 O ASN A 52 -0.840 -7.462 8.970 1.00 0.00 O ATOM 430 CB ASN A 52 1.573 -5.991 10.504 1.00 0.00 C ATOM 431 CG ASN A 52 2.823 -5.143 10.273 1.00 0.00 C ATOM 432 OD1 ASN A 52 3.759 -5.139 11.065 1.00 0.00 O ATOM 433 ND2 ASN A 52 2.853 -4.328 9.230 1.00 0.00 N ATOM 0 H ASN A 52 0.750 -6.549 7.784 1.00 0.00 H new ATOM 0 HA ASN A 52 2.201 -7.963 9.921 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.697 -5.362 10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.557 -6.303 11.548 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.649 -3.706 9.092 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.080 -4.323 8.565 1.00 0.00 H new ATOM 440 N THR A 53 -0.219 -8.559 10.832 1.00 0.00 N ATOM 441 CA THR A 53 -1.539 -9.072 11.171 1.00 0.00 C ATOM 442 C THR A 53 -2.478 -7.877 11.419 1.00 0.00 C ATOM 443 O THR A 53 -2.086 -6.921 12.098 1.00 0.00 O ATOM 444 CB THR A 53 -1.405 -9.999 12.394 1.00 0.00 C ATOM 445 OG1 THR A 53 -0.194 -10.745 12.340 1.00 0.00 O ATOM 446 CG2 THR A 53 -2.581 -10.960 12.489 1.00 0.00 C ATOM 0 H THR A 53 0.509 -8.856 11.482 1.00 0.00 H new ATOM 0 HA THR A 53 -1.969 -9.662 10.362 1.00 0.00 H new ATOM 0 HB THR A 53 -1.395 -9.362 13.279 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.394 -11.700 12.428 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.458 -11.601 13.362 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.507 -10.393 12.583 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.622 -11.575 11.590 1.00 0.00 H new ATOM 454 N GLY A 54 -3.693 -7.893 10.862 1.00 0.00 N ATOM 455 CA GLY A 54 -4.617 -6.768 10.880 1.00 0.00 C ATOM 456 C GLY A 54 -6.054 -7.250 10.753 1.00 0.00 C ATOM 457 O GLY A 54 -6.694 -7.533 11.765 1.00 0.00 O ATOM 0 H GLY A 54 -4.064 -8.710 10.377 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.497 -6.207 11.807 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.383 -6.086 10.062 1.00 0.00 H new ATOM 461 N ASP A 55 -6.585 -7.304 9.533 1.00 0.00 N ATOM 462 CA ASP A 55 -7.874 -7.913 9.211 1.00 0.00 C ATOM 463 C ASP A 55 -7.906 -8.132 7.705 1.00 0.00 C ATOM 464 O ASP A 55 -7.905 -7.145 6.961 1.00 0.00 O ATOM 465 CB ASP A 55 -9.051 -7.017 9.624 1.00 0.00 C ATOM 466 CG ASP A 55 -10.370 -7.596 9.106 1.00 0.00 C ATOM 467 OD1 ASP A 55 -11.031 -6.959 8.259 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.732 -8.723 9.517 1.00 0.00 O ATOM 0 H ASP A 55 -6.116 -6.913 8.716 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.977 -8.850 9.758 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.086 -6.930 10.710 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.907 -6.012 9.228 1.00 0.00 H new ATOM 474 N SER A 56 -7.873 -9.384 7.249 1.00 0.00 N ATOM 475 CA SER A 56 -7.966 -9.751 5.841 1.00 0.00 C ATOM 476 C SER A 56 -8.234 -11.261 5.733 1.00 0.00 C ATOM 477 O SER A 56 -8.338 -11.947 6.757 1.00 0.00 O ATOM 478 CB SER A 56 -6.668 -9.348 5.115 1.00 0.00 C ATOM 479 OG SER A 56 -6.960 -8.985 3.780 1.00 0.00 O ATOM 0 H SER A 56 -7.778 -10.190 7.867 1.00 0.00 H new ATOM 0 HA SER A 56 -8.791 -9.223 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.194 -8.514 5.633 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.960 -10.176 5.130 1.00 0.00 H new ATOM 0 HG SER A 56 -6.132 -8.728 3.322 1.00 0.00 H new ATOM 485 N GLU A 57 -8.286 -11.803 4.510 1.00 0.00 N ATOM 486 CA GLU A 57 -8.366 -13.245 4.255 1.00 0.00 C ATOM 487 C GLU A 57 -7.214 -13.971 4.960 1.00 0.00 C ATOM 488 O GLU A 57 -7.420 -14.993 5.617 1.00 0.00 O ATOM 489 CB GLU A 57 -8.368 -13.515 2.733 1.00 0.00 C ATOM 490 CG GLU A 57 -8.004 -14.974 2.423 1.00 0.00 C ATOM 491 CD GLU A 57 -8.141 -15.364 0.957 1.00 0.00 C ATOM 492 OE1 GLU A 57 -7.105 -15.402 0.262 1.00 0.00 O ATOM 493 OE2 GLU A 57 -9.243 -15.784 0.532 1.00 0.00 O ATOM 0 H GLU A 57 -8.273 -11.243 3.658 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.299 -13.634 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.352 -13.289 2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.658 -12.849 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.976 -15.153 2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.639 -15.628 3.020 1.00 0.00 H new ATOM 501 N GLN A 58 -5.992 -13.461 4.819 1.00 0.00 N ATOM 502 CA GLN A 58 -4.807 -14.001 5.481 1.00 0.00 C ATOM 503 C GLN A 58 -4.602 -13.332 6.849 1.00 0.00 C ATOM 504 O GLN A 58 -3.534 -13.462 7.434 1.00 0.00 O ATOM 505 CB GLN A 58 -3.599 -13.789 4.552 1.00 0.00 C ATOM 506 CG GLN A 58 -3.688 -14.600 3.249 1.00 0.00 C ATOM 507 CD GLN A 58 -3.057 -13.853 2.078 1.00 0.00 C ATOM 508 OE1 GLN A 58 -3.609 -12.868 1.583 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.904 -14.291 1.607 1.00 0.00 N ATOM 0 H GLN A 58 -5.795 -12.650 4.233 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.928 -15.068 5.670 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.518 -12.730 4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.688 -14.065 5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.187 -15.559 3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.733 -14.814 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.459 -15.107 2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.458 -13.813 0.824 1.00 0.00 H new ATOM 518 N GLY A 59 -5.557 -12.535 7.339 1.00 0.00 N ATOM 519 CA GLY A 59 -5.406 -11.682 8.514 1.00 0.00 C ATOM 520 C GLY A 59 -4.475 -10.498 8.255 1.00 0.00 C ATOM 521 O GLY A 59 -4.747 -9.390 8.703 1.00 0.00 O ATOM 0 H GLY A 59 -6.482 -12.466 6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.385 -11.312 8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.016 -12.274 9.342 1.00 0.00 H new ATOM 525 N ILE A 60 -3.395 -10.694 7.507 1.00 0.00 N ATOM 526 CA ILE A 60 -2.348 -9.718 7.303 1.00 0.00 C ATOM 527 C ILE A 60 -2.753 -8.675 6.274 1.00 0.00 C ATOM 528 O ILE A 60 -3.489 -8.948 5.321 1.00 0.00 O ATOM 529 CB ILE A 60 -1.051 -10.400 6.834 1.00 0.00 C ATOM 530 CG1 ILE A 60 -1.298 -11.446 5.729 1.00 0.00 C ATOM 531 CG2 ILE A 60 -0.316 -11.037 8.016 1.00 0.00 C ATOM 532 CD1 ILE A 60 -0.067 -11.731 4.881 1.00 0.00 C ATOM 0 H ILE A 60 -3.225 -11.569 7.012 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.180 -9.226 8.261 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.424 -9.619 6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.637 -12.375 6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.103 -11.097 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.598 -11.514 7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.065 -10.267 8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.957 -11.784 8.483 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.311 -12.476 4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.260 -10.812 4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.733 -12.110 5.517 1.00 0.00 H new ATOM 544 N VAL A 61 -2.165 -7.497 6.431 1.00 0.00 N ATOM 545 CA VAL A 61 -2.350 -6.340 5.586 1.00 0.00 C ATOM 546 C VAL A 61 -0.999 -5.642 5.409 1.00 0.00 C ATOM 547 O VAL A 61 -0.187 -5.640 6.341 1.00 0.00 O ATOM 548 CB VAL A 61 -3.399 -5.410 6.227 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.804 -6.014 6.139 1.00 0.00 C ATOM 550 CG2 VAL A 61 -3.102 -5.095 7.703 1.00 0.00 C ATOM 0 H VAL A 61 -1.512 -7.320 7.194 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.717 -6.628 4.601 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.348 -4.482 5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.521 -5.335 6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.069 -6.167 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.822 -6.970 6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.876 -4.436 8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.087 -6.022 8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.132 -4.604 7.782 1.00 0.00 H new ATOM 560 N PRO A 62 -0.720 -5.052 4.237 1.00 0.00 N ATOM 561 CA PRO A 62 0.516 -4.333 3.979 1.00 0.00 C ATOM 562 C PRO A 62 0.536 -2.976 4.683 1.00 0.00 C ATOM 563 O PRO A 62 -0.462 -2.520 5.241 1.00 0.00 O ATOM 564 CB PRO A 62 0.614 -4.240 2.457 1.00 0.00 C ATOM 565 CG PRO A 62 -0.850 -4.152 2.041 1.00 0.00 C ATOM 566 CD PRO A 62 -1.554 -5.056 3.050 1.00 0.00 C ATOM 0 HA PRO A 62 1.389 -4.845 4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.180 -3.365 2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.107 -5.112 2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.222 -3.128 2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.999 -4.497 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.554 -4.686 3.274 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.668 -6.066 2.656 1.00 0.00 H new ATOM 574 N CYS A 63 1.694 -2.326 4.623 1.00 0.00 N ATOM 575 CA CYS A 63 2.056 -1.129 5.352 1.00 0.00 C ATOM 576 C CYS A 63 2.463 -0.091 4.323 1.00 0.00 C ATOM 577 O CYS A 63 3.509 -0.203 3.682 1.00 0.00 O ATOM 578 CB CYS A 63 3.184 -1.464 6.331 1.00 0.00 C ATOM 579 SG CYS A 63 3.889 -0.042 7.179 1.00 0.00 S ATOM 0 H CYS A 63 2.451 -2.649 4.021 1.00 0.00 H new ATOM 0 HA CYS A 63 1.231 -0.734 5.945 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.805 -2.163 7.076 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.978 -1.977 5.788 1.00 0.00 H new ATOM 0 HG CYS A 63 3.303 0.112 8.329 1.00 0.00 H new ATOM 585 N LEU A 64 1.567 0.865 4.111 1.00 0.00 N ATOM 586 CA LEU A 64 1.624 1.884 3.079 1.00 0.00 C ATOM 587 C LEU A 64 1.586 3.219 3.802 1.00 0.00 C ATOM 588 O LEU A 64 1.116 3.267 4.938 1.00 0.00 O ATOM 589 CB LEU A 64 0.390 1.771 2.168 1.00 0.00 C ATOM 590 CG LEU A 64 -0.101 0.379 1.702 1.00 0.00 C ATOM 591 CD1 LEU A 64 0.978 -0.626 1.286 1.00 0.00 C ATOM 592 CD2 LEU A 64 -1.096 -0.221 2.701 1.00 0.00 C ATOM 0 H LEU A 64 0.733 0.952 4.691 1.00 0.00 H new ATOM 0 HA LEU A 64 2.518 1.777 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.440 2.252 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.592 2.360 1.273 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.614 0.583 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.507 -1.560 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.552 -0.220 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.644 -0.814 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.423 -1.198 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.615 -0.330 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.959 0.438 2.795 1.00 0.00 H new ATOM 604 N THR A 65 1.993 4.311 3.168 1.00 0.00 N ATOM 605 CA THR A 65 1.874 5.635 3.767 1.00 0.00 C ATOM 606 C THR A 65 1.225 6.572 2.765 1.00 0.00 C ATOM 607 O THR A 65 1.082 6.216 1.600 1.00 0.00 O ATOM 608 CB THR A 65 3.228 6.130 4.289 1.00 0.00 C ATOM 609 OG1 THR A 65 4.076 6.456 3.204 1.00 0.00 O ATOM 610 CG2 THR A 65 3.897 5.078 5.169 1.00 0.00 C ATOM 0 H THR A 65 2.409 4.306 2.237 1.00 0.00 H new ATOM 0 HA THR A 65 1.229 5.596 4.645 1.00 0.00 H new ATOM 0 HB THR A 65 3.052 7.020 4.893 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.911 6.840 3.545 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.855 5.457 5.525 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.256 4.856 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.059 4.169 4.590 1.00 0.00 H new ATOM 618 N ARG A 66 0.813 7.767 3.184 1.00 0.00 N ATOM 619 CA ARG A 66 0.083 8.699 2.316 1.00 0.00 C ATOM 620 C ARG A 66 0.888 8.980 1.059 1.00 0.00 C ATOM 621 O ARG A 66 0.376 8.851 -0.051 1.00 0.00 O ATOM 622 CB ARG A 66 -0.243 10.033 3.001 1.00 0.00 C ATOM 623 CG ARG A 66 -0.152 9.963 4.515 1.00 0.00 C ATOM 624 CD ARG A 66 -0.552 11.268 5.157 1.00 0.00 C ATOM 625 NE ARG A 66 0.367 12.362 4.799 1.00 0.00 N ATOM 626 CZ ARG A 66 0.280 13.632 5.201 1.00 0.00 C ATOM 627 NH1 ARG A 66 -0.721 14.001 5.991 1.00 0.00 N ATOM 628 NH2 ARG A 66 1.171 14.506 4.753 1.00 0.00 N ATOM 0 H ARG A 66 0.973 8.118 4.128 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.862 8.213 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.442 10.799 2.637 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.248 10.344 2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.796 9.164 4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.867 9.711 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.564 11.529 4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.570 11.149 6.240 1.00 0.00 H new ATOM 0 HE ARG A 66 1.146 12.126 4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.417 13.316 6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.794 14.969 6.303 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.905 14.203 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.122 15.481 5.048 1.00 0.00 H new ATOM 642 N ALA A 67 2.144 9.370 1.267 1.00 0.00 N ATOM 643 CA ALA A 67 3.077 9.674 0.208 1.00 0.00 C ATOM 644 C ALA A 67 3.248 8.489 -0.736 1.00 0.00 C ATOM 645 O ALA A 67 3.319 8.701 -1.948 1.00 0.00 O ATOM 646 CB ALA A 67 4.414 10.033 0.845 1.00 0.00 C ATOM 0 H ALA A 67 2.540 9.483 2.200 1.00 0.00 H new ATOM 0 HA ALA A 67 2.697 10.508 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.138 10.267 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.287 10.900 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.775 9.189 1.433 1.00 0.00 H new ATOM 652 N GLN A 68 3.331 7.263 -0.208 1.00 0.00 N ATOM 653 CA GLN A 68 3.486 6.096 -1.050 1.00 0.00 C ATOM 654 C GLN A 68 2.200 5.819 -1.816 1.00 0.00 C ATOM 655 O GLN A 68 2.238 5.719 -3.038 1.00 0.00 O ATOM 656 CB GLN A 68 3.929 4.904 -0.195 1.00 0.00 C ATOM 657 CG GLN A 68 5.230 4.341 -0.761 1.00 0.00 C ATOM 658 CD GLN A 68 6.419 5.305 -0.690 1.00 0.00 C ATOM 659 OE1 GLN A 68 7.197 5.392 -1.635 1.00 0.00 O ATOM 660 NE2 GLN A 68 6.599 6.050 0.387 1.00 0.00 N ATOM 0 H GLN A 68 3.293 7.065 0.792 1.00 0.00 H new ATOM 0 HA GLN A 68 4.261 6.276 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.073 5.216 0.840 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.156 4.135 -0.192 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.484 3.430 -0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.068 4.059 -1.801 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.952 5.977 1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.385 6.698 0.433 1.00 0.00 H new ATOM 669 N LEU A 69 1.063 5.766 -1.120 1.00 0.00 N ATOM 670 CA LEU A 69 -0.244 5.504 -1.699 1.00 0.00 C ATOM 671 C LEU A 69 -0.545 6.451 -2.859 1.00 0.00 C ATOM 672 O LEU A 69 -1.096 6.037 -3.880 1.00 0.00 O ATOM 673 CB LEU A 69 -1.352 5.599 -0.642 1.00 0.00 C ATOM 674 CG LEU A 69 -1.360 4.469 0.401 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.421 4.772 1.457 1.00 0.00 C ATOM 676 CD2 LEU A 69 -1.667 3.110 -0.229 1.00 0.00 C ATOM 0 H LEU A 69 1.031 5.909 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.220 4.485 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.255 6.552 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.316 5.610 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.366 4.419 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.433 3.975 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.189 5.719 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.399 4.839 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.662 2.341 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.648 3.142 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.910 2.877 -0.977 1.00 0.00 H new ATOM 688 N ALA A 70 -0.191 7.727 -2.708 1.00 0.00 N ATOM 689 CA ALA A 70 -0.392 8.738 -3.732 1.00 0.00 C ATOM 690 C ALA A 70 0.466 8.492 -4.974 1.00 0.00 C ATOM 691 O ALA A 70 0.074 8.922 -6.057 1.00 0.00 O ATOM 692 CB ALA A 70 -0.103 10.109 -3.137 1.00 0.00 C ATOM 0 H ALA A 70 0.248 8.086 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.429 8.687 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.251 10.875 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.778 10.293 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.928 10.143 -2.784 1.00 0.00 H new ATOM 698 N SER A 71 1.577 7.761 -4.852 1.00 0.00 N ATOM 699 CA SER A 71 2.370 7.308 -5.987 1.00 0.00 C ATOM 700 C SER A 71 1.612 6.248 -6.800 1.00 0.00 C ATOM 701 O SER A 71 1.878 6.117 -7.993 1.00 0.00 O ATOM 702 CB SER A 71 3.728 6.763 -5.505 1.00 0.00 C ATOM 703 OG SER A 71 4.821 7.229 -6.282 1.00 0.00 O ATOM 0 H SER A 71 1.951 7.466 -3.950 1.00 0.00 H new ATOM 0 HA SER A 71 2.552 8.160 -6.641 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.880 7.051 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.707 5.674 -5.534 1.00 0.00 H new ATOM 0 HG SER A 71 5.655 6.854 -5.931 1.00 0.00 H new ATOM 709 N MET A 72 0.652 5.521 -6.211 1.00 0.00 N ATOM 710 CA MET A 72 -0.278 4.673 -6.967 1.00 0.00 C ATOM 711 C MET A 72 -1.580 5.406 -7.308 1.00 0.00 C ATOM 712 O MET A 72 -2.466 4.852 -7.956 1.00 0.00 O ATOM 713 CB MET A 72 -0.601 3.366 -6.235 1.00 0.00 C ATOM 714 CG MET A 72 0.614 2.661 -5.638 1.00 0.00 C ATOM 715 SD MET A 72 0.922 3.052 -3.907 1.00 0.00 S ATOM 716 CE MET A 72 2.621 2.470 -3.719 1.00 0.00 C ATOM 0 H MET A 72 0.499 5.505 -5.203 1.00 0.00 H new ATOM 0 HA MET A 72 0.237 4.428 -7.896 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.312 3.577 -5.436 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.095 2.687 -6.930 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.479 1.584 -5.737 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.496 2.926 -6.221 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.954 2.644 -2.696 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.667 1.403 -3.939 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.269 3.010 -4.409 1.00 0.00 H new ATOM 726 N GLY A 73 -1.705 6.654 -6.863 1.00 0.00 N ATOM 727 CA GLY A 73 -2.695 7.603 -7.349 1.00 0.00 C ATOM 728 C GLY A 73 -3.755 7.939 -6.312 1.00 0.00 C ATOM 729 O GLY A 73 -4.729 8.597 -6.647 1.00 0.00 O ATOM 0 H GLY A 73 -1.103 7.040 -6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.191 8.520 -7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.179 7.193 -8.235 1.00 0.00 H new ATOM 733 N LEU A 74 -3.629 7.471 -5.071 1.00 0.00 N ATOM 734 CA LEU A 74 -4.635 7.614 -4.024 1.00 0.00 C ATOM 735 C LEU A 74 -4.717 9.041 -3.482 1.00 0.00 C ATOM 736 O LEU A 74 -3.727 9.641 -3.077 1.00 0.00 O ATOM 737 CB LEU A 74 -4.269 6.621 -2.933 1.00 0.00 C ATOM 738 CG LEU A 74 -5.054 6.584 -1.613 1.00 0.00 C ATOM 739 CD1 LEU A 74 -4.453 7.507 -0.563 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.566 6.768 -1.584 1.00 0.00 C ATOM 0 H LEU A 74 -2.799 6.967 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.627 7.408 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.331 5.625 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.223 6.793 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.932 5.522 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.041 7.448 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.427 7.203 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.460 8.532 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.920 6.707 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.822 7.743 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.039 5.986 -2.177 1.00 0.00 H new ATOM 752 N ASN A 75 -5.951 9.541 -3.392 1.00 0.00 N ATOM 753 CA ASN A 75 -6.316 10.845 -2.861 1.00 0.00 C ATOM 754 C ASN A 75 -6.338 10.794 -1.331 1.00 0.00 C ATOM 755 O ASN A 75 -7.358 10.532 -0.690 1.00 0.00 O ATOM 756 CB ASN A 75 -7.707 11.221 -3.388 1.00 0.00 C ATOM 757 CG ASN A 75 -8.074 12.689 -3.190 1.00 0.00 C ATOM 758 OD1 ASN A 75 -7.542 13.414 -2.352 1.00 0.00 O ATOM 759 ND2 ASN A 75 -8.982 13.163 -4.026 1.00 0.00 N ATOM 0 H ASN A 75 -6.765 9.013 -3.707 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.587 11.590 -3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.756 10.986 -4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.452 10.601 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.252 14.146 -3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.413 12.546 -4.715 1.00 0.00 H new ATOM 766 N THR A 76 -5.193 11.053 -0.713 1.00 0.00 N ATOM 767 CA THR A 76 -5.035 11.125 0.740 1.00 0.00 C ATOM 768 C THR A 76 -5.926 12.212 1.383 1.00 0.00 C ATOM 769 O THR A 76 -6.060 12.275 2.606 1.00 0.00 O ATOM 770 CB THR A 76 -3.537 11.321 1.068 1.00 0.00 C ATOM 771 OG1 THR A 76 -3.099 12.655 0.914 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.577 10.515 0.199 1.00 0.00 C ATOM 0 H THR A 76 -4.324 11.224 -1.219 1.00 0.00 H new ATOM 0 HA THR A 76 -5.377 10.187 1.178 1.00 0.00 H new ATOM 0 HB THR A 76 -3.503 10.985 2.104 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.147 12.714 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.551 10.719 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.786 9.452 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.707 10.797 -0.846 1.00 0.00 H new ATOM 780 N ALA A 77 -6.527 13.102 0.581 1.00 0.00 N ATOM 781 CA ALA A 77 -7.378 14.201 0.990 1.00 0.00 C ATOM 782 C ALA A 77 -8.862 13.887 0.813 1.00 0.00 C ATOM 783 O ALA A 77 -9.676 14.794 1.008 1.00 0.00 O ATOM 784 CB ALA A 77 -6.945 15.511 0.297 1.00 0.00 C ATOM 0 H ALA A 77 -6.418 13.061 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.246 14.347 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.596 16.324 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.915 15.743 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.018 15.392 -0.784 1.00 0.00 H new ATOM 790 N SER A 78 -9.224 12.638 0.505 1.00 0.00 N ATOM 791 CA SER A 78 -10.607 12.182 0.618 1.00 0.00 C ATOM 792 C SER A 78 -10.795 11.101 1.678 1.00 0.00 C ATOM 793 O SER A 78 -11.868 11.057 2.276 1.00 0.00 O ATOM 794 CB SER A 78 -11.180 11.832 -0.755 1.00 0.00 C ATOM 795 OG SER A 78 -10.231 11.360 -1.660 1.00 0.00 O ATOM 0 H SER A 78 -8.574 11.925 0.175 1.00 0.00 H new ATOM 0 HA SER A 78 -11.204 13.014 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.957 11.077 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.659 12.717 -1.174 1.00 0.00 H new ATOM 0 HG SER A 78 -9.930 10.469 -1.383 1.00 0.00 H new ATOM 801 N VAL A 79 -9.783 10.283 1.992 1.00 0.00 N ATOM 802 CA VAL A 79 -9.920 9.314 3.063 1.00 0.00 C ATOM 803 C VAL A 79 -9.705 10.102 4.365 1.00 0.00 C ATOM 804 O VAL A 79 -8.648 10.715 4.582 1.00 0.00 O ATOM 805 CB VAL A 79 -9.045 8.057 2.832 1.00 0.00 C ATOM 806 CG1 VAL A 79 -9.033 7.559 1.378 1.00 0.00 C ATOM 807 CG2 VAL A 79 -7.595 8.138 3.278 1.00 0.00 C ATOM 0 H VAL A 79 -8.877 10.279 1.523 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.909 8.858 3.113 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.561 7.354 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.398 6.677 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.048 7.304 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.645 8.343 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.094 7.195 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.095 8.946 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.554 8.331 4.350 1.00 0.00 H new ATOM 817 N ALA A 80 -10.760 10.220 5.168 1.00 0.00 N ATOM 818 CA ALA A 80 -10.740 10.938 6.430 1.00 0.00 C ATOM 819 C ALA A 80 -9.818 10.187 7.382 1.00 0.00 C ATOM 820 O ALA A 80 -9.938 8.972 7.522 1.00 0.00 O ATOM 821 CB ALA A 80 -12.157 11.045 6.991 1.00 0.00 C ATOM 0 H ALA A 80 -11.668 9.809 4.951 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.368 11.953 6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.134 11.585 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.789 11.581 6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.561 10.046 7.153 1.00 0.00 H new ATOM 827 N GLY A 81 -8.874 10.898 7.993 1.00 0.00 N ATOM 828 CA GLY A 81 -7.848 10.342 8.860 1.00 0.00 C ATOM 829 C GLY A 81 -6.473 10.500 8.224 1.00 0.00 C ATOM 830 O GLY A 81 -5.574 11.056 8.848 1.00 0.00 O ATOM 0 H GLY A 81 -8.803 11.911 7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.868 10.845 9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.051 9.287 9.045 1.00 0.00 H new ATOM 834 N MET A 82 -6.289 10.072 6.968 1.00 0.00 N ATOM 835 CA MET A 82 -4.979 10.112 6.312 1.00 0.00 C ATOM 836 C MET A 82 -4.433 11.531 6.243 1.00 0.00 C ATOM 837 O MET A 82 -3.264 11.774 6.542 1.00 0.00 O ATOM 838 CB MET A 82 -5.074 9.477 4.937 1.00 0.00 C ATOM 839 CG MET A 82 -3.690 9.215 4.356 1.00 0.00 C ATOM 840 SD MET A 82 -3.731 8.307 2.799 1.00 0.00 S ATOM 841 CE MET A 82 -4.272 6.668 3.348 1.00 0.00 C ATOM 0 H MET A 82 -7.035 9.693 6.385 1.00 0.00 H new ATOM 0 HA MET A 82 -4.271 9.536 6.908 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.627 8.540 5.003 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.634 10.131 4.269 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.183 10.167 4.200 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.100 8.654 5.080 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.695 6.123 2.504 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.419 6.117 3.745 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.028 6.776 4.126 1.00 0.00 H new ATOM 851 N ASN A 83 -5.311 12.482 5.937 1.00 0.00 N ATOM 852 CA ASN A 83 -4.996 13.900 5.898 1.00 0.00 C ATOM 853 C ASN A 83 -4.578 14.489 7.255 1.00 0.00 C ATOM 854 O ASN A 83 -4.275 15.686 7.300 1.00 0.00 O ATOM 855 CB ASN A 83 -6.155 14.681 5.256 1.00 0.00 C ATOM 856 CG ASN A 83 -7.480 14.564 5.987 1.00 0.00 C ATOM 857 OD1 ASN A 83 -7.786 15.339 6.886 1.00 0.00 O ATOM 858 ND2 ASN A 83 -8.304 13.598 5.606 1.00 0.00 N ATOM 0 H ASN A 83 -6.283 12.279 5.704 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.109 14.008 5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.878 15.734 5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.288 14.331 4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.210 13.490 6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.032 12.962 4.856 1.00 0.00 H new ATOM 865 N LEU A 84 -4.510 13.694 8.331 1.00 0.00 N ATOM 866 CA LEU A 84 -4.167 14.125 9.684 1.00 0.00 C ATOM 867 C LEU A 84 -2.871 13.473 10.170 1.00 0.00 C ATOM 868 O LEU A 84 -2.229 14.028 11.061 1.00 0.00 O ATOM 869 CB LEU A 84 -5.304 13.743 10.653 1.00 0.00 C ATOM 870 CG LEU A 84 -6.723 14.136 10.206 1.00 0.00 C ATOM 871 CD1 LEU A 84 -7.743 13.606 11.213 1.00 0.00 C ATOM 872 CD2 LEU A 84 -6.868 15.652 10.084 1.00 0.00 C ATOM 0 H LEU A 84 -4.701 12.694 8.276 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.027 15.206 9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.277 12.664 10.808 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.105 14.208 11.618 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.903 13.696 9.225 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.747 13.885 10.895 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.669 12.520 11.269 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.541 14.034 12.195 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.882 15.896 9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.669 16.115 11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.157 16.027 9.348 1.00 0.00 H new ATOM 884 N LEU A 85 -2.512 12.308 9.616 1.00 0.00 N ATOM 885 CA LEU A 85 -1.342 11.496 9.964 1.00 0.00 C ATOM 886 C LEU A 85 -0.049 12.135 9.449 1.00 0.00 C ATOM 887 O LEU A 85 -0.102 13.088 8.668 1.00 0.00 O ATOM 888 CB LEU A 85 -1.519 10.107 9.328 1.00 0.00 C ATOM 889 CG LEU A 85 -2.511 9.197 10.077 1.00 0.00 C ATOM 890 CD1 LEU A 85 -3.369 8.372 9.125 1.00 0.00 C ATOM 891 CD2 LEU A 85 -1.770 8.225 10.985 1.00 0.00 C ATOM 0 H LEU A 85 -3.063 11.884 8.870 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.266 11.421 11.049 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.860 10.230 8.300 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.549 9.612 9.285 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.151 9.861 10.657 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.052 7.747 9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.942 9.039 8.481 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.727 7.739 8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.489 7.592 11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.105 7.603 10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.185 8.784 11.715 1.00 0.00 H new ATOM 903 N ALA A 86 1.115 11.594 9.839 1.00 0.00 N ATOM 904 CA ALA A 86 2.406 12.037 9.326 1.00 0.00 C ATOM 905 C ALA A 86 2.569 11.689 7.852 1.00 0.00 C ATOM 906 O ALA A 86 1.896 10.802 7.321 1.00 0.00 O ATOM 907 CB ALA A 86 3.544 11.428 10.144 1.00 0.00 C ATOM 0 H ALA A 86 1.180 10.837 10.520 1.00 0.00 H new ATOM 0 HA ALA A 86 2.445 13.122 9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.500 11.769 9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.451 11.739 11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.494 10.341 10.084 1.00 0.00 H new ATOM 913 N ASP A 87 3.521 12.382 7.228 1.00 0.00 N ATOM 914 CA ASP A 87 3.833 12.318 5.803 1.00 0.00 C ATOM 915 C ASP A 87 4.065 10.900 5.339 1.00 0.00 C ATOM 916 O ASP A 87 3.423 10.409 4.404 1.00 0.00 O ATOM 917 CB ASP A 87 5.023 13.234 5.507 1.00 0.00 C ATOM 918 CG ASP A 87 5.097 13.700 4.052 1.00 0.00 C ATOM 919 OD1 ASP A 87 4.131 13.475 3.285 1.00 0.00 O ATOM 920 OD2 ASP A 87 6.085 14.406 3.739 1.00 0.00 O ATOM 0 H ASP A 87 4.124 13.035 7.728 1.00 0.00 H new ATOM 0 HA ASP A 87 2.974 12.673 5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.967 14.108 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.945 12.709 5.758 1.00 0.00 H new ATOM 926 N ASP A 88 4.904 10.226 6.110 1.00 0.00 N ATOM 927 CA ASP A 88 5.200 8.826 5.990 1.00 0.00 C ATOM 928 C ASP A 88 4.957 8.235 7.371 1.00 0.00 C ATOM 929 O ASP A 88 5.826 8.175 8.240 1.00 0.00 O ATOM 930 CB ASP A 88 6.604 8.637 5.454 1.00 0.00 C ATOM 931 CG ASP A 88 6.878 7.141 5.242 1.00 0.00 C ATOM 932 OD1 ASP A 88 7.386 6.431 6.142 1.00 0.00 O ATOM 933 OD2 ASP A 88 6.448 6.665 4.166 1.00 0.00 O ATOM 0 H ASP A 88 5.417 10.672 6.871 1.00 0.00 H new ATOM 0 HA ASP A 88 4.567 8.305 5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.720 9.175 4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.330 9.055 6.152 1.00 0.00 H new ATOM 939 N ALA A 89 3.690 7.932 7.618 1.00 0.00 N ATOM 940 CA ALA A 89 3.201 7.100 8.703 1.00 0.00 C ATOM 941 C ALA A 89 2.364 6.002 8.068 1.00 0.00 C ATOM 942 O ALA A 89 1.658 6.284 7.100 1.00 0.00 O ATOM 943 CB ALA A 89 2.335 7.926 9.648 1.00 0.00 C ATOM 0 H ALA A 89 2.933 8.282 7.030 1.00 0.00 H new ATOM 0 HA ALA A 89 4.028 6.685 9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.974 7.292 10.458 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.926 8.743 10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.486 8.334 9.100 1.00 0.00 H new ATOM 949 N CYS A 90 2.430 4.796 8.625 1.00 0.00 N ATOM 950 CA CYS A 90 1.724 3.605 8.178 1.00 0.00 C ATOM 951 C CYS A 90 0.213 3.859 8.223 1.00 0.00 C ATOM 952 O CYS A 90 -0.286 4.279 9.272 1.00 0.00 O ATOM 953 CB CYS A 90 2.120 2.446 9.100 1.00 0.00 C ATOM 954 SG CYS A 90 3.891 2.348 9.490 1.00 0.00 S ATOM 0 H CYS A 90 3.010 4.617 9.445 1.00 0.00 H new ATOM 0 HA CYS A 90 1.989 3.355 7.151 1.00 0.00 H new ATOM 0 HB2 CYS A 90 1.562 2.536 10.032 1.00 0.00 H new ATOM 0 HB3 CYS A 90 1.813 1.510 8.634 1.00 0.00 H new ATOM 0 HG CYS A 90 4.447 1.430 8.757 1.00 0.00 H new ATOM 960 N VAL A 91 -0.515 3.588 7.137 1.00 0.00 N ATOM 961 CA VAL A 91 -1.956 3.767 7.037 1.00 0.00 C ATOM 962 C VAL A 91 -2.562 2.468 6.473 1.00 0.00 C ATOM 963 O VAL A 91 -1.997 1.904 5.533 1.00 0.00 O ATOM 964 CB VAL A 91 -2.321 4.963 6.129 1.00 0.00 C ATOM 965 CG1 VAL A 91 -3.746 5.439 6.435 1.00 0.00 C ATOM 966 CG2 VAL A 91 -1.397 6.167 6.296 1.00 0.00 C ATOM 0 H VAL A 91 -0.099 3.227 6.278 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.359 3.982 8.027 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.221 4.593 5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.994 6.282 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.448 4.625 6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.810 5.749 7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.716 6.966 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.440 6.518 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.374 5.877 6.054 1.00 0.00 H new ATOM 976 N PRO A 92 -3.696 1.989 7.008 1.00 0.00 N ATOM 977 CA PRO A 92 -4.354 0.776 6.536 1.00 0.00 C ATOM 978 C PRO A 92 -5.179 0.995 5.278 1.00 0.00 C ATOM 979 O PRO A 92 -5.873 2.013 5.172 1.00 0.00 O ATOM 980 CB PRO A 92 -5.295 0.371 7.641 1.00 0.00 C ATOM 981 CG PRO A 92 -5.574 1.647 8.435 1.00 0.00 C ATOM 982 CD PRO A 92 -4.370 2.534 8.174 1.00 0.00 C ATOM 0 HA PRO A 92 -3.598 0.029 6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.216 -0.048 7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.848 -0.395 8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.497 2.125 8.105 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.687 1.435 9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.679 3.564 7.996 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.703 2.546 9.036 1.00 0.00 H new ATOM 990 N LEU A 93 -5.225 -0.009 4.393 1.00 0.00 N ATOM 991 CA LEU A 93 -5.887 0.146 3.103 1.00 0.00 C ATOM 992 C LEU A 93 -7.286 -0.460 3.006 1.00 0.00 C ATOM 993 O LEU A 93 -8.019 -0.112 2.091 1.00 0.00 O ATOM 994 CB LEU A 93 -4.990 -0.347 1.961 1.00 0.00 C ATOM 995 CG LEU A 93 -5.379 0.216 0.573 1.00 0.00 C ATOM 996 CD1 LEU A 93 -5.431 1.751 0.537 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.357 -0.241 -0.458 1.00 0.00 C ATOM 0 H LEU A 93 -4.813 -0.929 4.550 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.047 1.220 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.958 -0.072 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.029 -1.436 1.925 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.378 -0.160 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.709 2.082 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.169 2.107 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.451 2.154 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.627 0.153 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.369 0.126 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.342 -1.330 -0.497 1.00 0.00 H new ATOM 1009 N THR A 94 -7.702 -1.299 3.946 1.00 0.00 N ATOM 1010 CA THR A 94 -9.077 -1.800 4.037 1.00 0.00 C ATOM 1011 C THR A 94 -9.620 -1.495 5.442 1.00 0.00 C ATOM 1012 O THR A 94 -10.453 -2.205 6.001 1.00 0.00 O ATOM 1013 CB THR A 94 -9.121 -3.249 3.505 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.415 -3.814 3.483 1.00 0.00 O ATOM 1015 CG2 THR A 94 -8.212 -4.247 4.229 1.00 0.00 C ATOM 0 H THR A 94 -7.090 -1.658 4.678 1.00 0.00 H new ATOM 0 HA THR A 94 -9.789 -1.290 3.387 1.00 0.00 H new ATOM 0 HB THR A 94 -8.748 -3.106 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.925 -3.493 4.256 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.320 -5.233 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.175 -3.921 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 94 -8.493 -4.298 5.281 1.00 0.00 H new ATOM 1023 N THR A 95 -9.141 -0.389 6.024 1.00 0.00 N ATOM 1024 CA THR A 95 -9.624 0.120 7.301 1.00 0.00 C ATOM 1025 C THR A 95 -9.883 1.626 7.200 1.00 0.00 C ATOM 1026 O THR A 95 -10.978 2.059 7.557 1.00 0.00 O ATOM 1027 CB THR A 95 -8.629 -0.217 8.417 1.00 0.00 C ATOM 1028 OG1 THR A 95 -8.086 -1.519 8.291 1.00 0.00 O ATOM 1029 CG2 THR A 95 -9.172 -0.099 9.829 1.00 0.00 C ATOM 0 H THR A 95 -8.400 0.179 5.613 1.00 0.00 H new ATOM 0 HA THR A 95 -10.569 -0.362 7.550 1.00 0.00 H new ATOM 0 HB THR A 95 -7.863 0.546 8.278 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.458 -1.684 9.025 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.390 -0.359 10.542 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.501 0.925 10.008 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.016 -0.778 9.952 1.00 0.00 H new ATOM 1037 N MET A 96 -8.915 2.416 6.706 1.00 0.00 N ATOM 1038 CA MET A 96 -9.046 3.868 6.615 1.00 0.00 C ATOM 1039 C MET A 96 -10.106 4.231 5.573 1.00 0.00 C ATOM 1040 O MET A 96 -11.038 4.984 5.844 1.00 0.00 O ATOM 1041 CB MET A 96 -7.678 4.477 6.253 1.00 0.00 C ATOM 1042 CG MET A 96 -7.684 6.005 6.302 1.00 0.00 C ATOM 1043 SD MET A 96 -7.952 6.702 7.947 1.00 0.00 S ATOM 1044 CE MET A 96 -6.315 6.531 8.684 1.00 0.00 C ATOM 0 H MET A 96 -8.024 2.060 6.361 1.00 0.00 H new ATOM 0 HA MET A 96 -9.366 4.274 7.574 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.922 4.098 6.941 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.392 4.150 5.253 1.00 0.00 H new ATOM 0 HG2 MET A 96 -6.733 6.372 5.917 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.462 6.374 5.634 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.322 6.953 9.689 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.048 5.476 8.736 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.584 7.061 8.073 1.00 0.00 H new ATOM 1054 N VAL A 97 -9.944 3.699 4.367 1.00 0.00 N ATOM 1055 CA VAL A 97 -10.833 3.862 3.225 1.00 0.00 C ATOM 1056 C VAL A 97 -11.840 2.706 3.217 1.00 0.00 C ATOM 1057 O VAL A 97 -11.659 1.698 3.904 1.00 0.00 O ATOM 1058 CB VAL A 97 -9.966 4.000 1.949 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -8.766 3.061 1.938 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -10.702 3.960 0.608 1.00 0.00 C ATOM 0 H VAL A 97 -9.142 3.108 4.149 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.433 4.770 3.278 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.610 5.027 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.199 3.206 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.128 3.276 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.111 2.029 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.984 4.067 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.225 3.009 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.423 4.776 0.564 1.00 0.00 H new ATOM 1070 N GLN A 98 -12.926 2.887 2.472 1.00 0.00 N ATOM 1071 CA GLN A 98 -13.994 1.935 2.208 1.00 0.00 C ATOM 1072 C GLN A 98 -13.692 1.262 0.874 1.00 0.00 C ATOM 1073 O GLN A 98 -13.212 1.936 -0.034 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.302 2.755 2.181 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.459 2.267 1.290 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.586 3.064 -0.017 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -17.595 3.712 -0.272 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -15.573 3.116 -0.862 1.00 0.00 N ATOM 0 H GLN A 98 -13.093 3.776 2.000 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.084 1.150 2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.675 2.817 3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.051 3.769 1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.309 1.213 1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.394 2.339 1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -14.723 2.586 -0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -15.641 3.686 -1.705 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.048 -0.015 0.710 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.055 -0.795 -0.546 1.00 0.00 C ATOM 1089 C ASP A 99 -12.709 -0.948 -1.258 1.00 0.00 C ATOM 1090 O ASP A 99 -12.565 -1.770 -2.164 1.00 0.00 O ATOM 1091 CB ASP A 99 -15.109 -0.244 -1.509 1.00 0.00 C ATOM 1092 CG ASP A 99 -15.398 -1.217 -2.654 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -15.208 -0.833 -3.838 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -15.859 -2.343 -2.362 1.00 0.00 O ATOM 0 H ASP A 99 -14.362 -0.576 1.502 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.306 -1.808 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -16.030 -0.042 -0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.766 0.706 -1.918 1.00 0.00 H new ATOM 1100 N ALA A 100 -11.698 -0.201 -0.834 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.317 -0.488 -1.127 1.00 0.00 C ATOM 1102 C ALA A 100 -9.927 -1.794 -0.440 1.00 0.00 C ATOM 1103 O ALA A 100 -10.552 -2.200 0.546 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.503 0.685 -0.588 1.00 0.00 C ATOM 0 H ALA A 100 -11.827 0.636 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.137 -0.607 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.445 0.515 -0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.821 1.605 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.661 0.774 0.487 1.00 0.00 H new ATOM 1110 N THR A 101 -8.908 -2.462 -0.970 1.00 0.00 N ATOM 1111 CA THR A 101 -8.514 -3.790 -0.522 1.00 0.00 C ATOM 1112 C THR A 101 -6.998 -3.937 -0.592 1.00 0.00 C ATOM 1113 O THR A 101 -6.314 -3.104 -1.201 1.00 0.00 O ATOM 1114 CB THR A 101 -9.239 -4.888 -1.327 1.00 0.00 C ATOM 1115 OG1 THR A 101 -8.644 -5.078 -2.592 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.738 -4.657 -1.555 1.00 0.00 C ATOM 0 H THR A 101 -8.330 -2.094 -1.726 1.00 0.00 H new ATOM 0 HA THR A 101 -8.815 -3.913 0.518 1.00 0.00 H new ATOM 0 HB THR A 101 -9.135 -5.769 -0.693 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.029 -5.872 -3.018 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.151 -5.486 -2.130 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.247 -4.594 -0.593 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.883 -3.727 -2.104 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.473 -5.004 0.014 1.00 0.00 N ATOM 1125 CA ALA A 102 -5.078 -5.368 -0.070 1.00 0.00 C ATOM 1126 C ALA A 102 -4.937 -6.863 0.206 1.00 0.00 C ATOM 1127 O ALA A 102 -5.499 -7.364 1.180 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.292 -4.545 0.946 1.00 0.00 C ATOM 0 H ALA A 102 -7.025 -5.644 0.585 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.684 -5.162 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.236 -4.812 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.410 -3.484 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.667 -4.750 1.949 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.194 -7.557 -0.654 1.00 0.00 N ATOM 1135 CA HIS A 103 -3.995 -8.995 -0.636 1.00 0.00 C ATOM 1136 C HIS A 103 -2.592 -9.313 -1.121 1.00 0.00 C ATOM 1137 O HIS A 103 -2.049 -8.641 -1.998 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.051 -9.626 -1.554 1.00 0.00 C ATOM 1139 CG HIS A 103 -4.599 -10.833 -2.341 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -3.888 -10.819 -3.519 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -4.792 -12.135 -1.991 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -3.724 -12.093 -3.909 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -4.245 -12.931 -3.003 1.00 0.00 N ATOM 0 H HIS A 103 -3.692 -7.104 -1.418 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.102 -9.396 0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.909 -9.912 -0.946 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.396 -8.866 -2.255 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.279 -12.489 -1.094 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.240 -12.399 -4.825 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -4.243 -13.950 -3.043 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.041 -10.399 -0.586 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.690 -10.859 -0.816 1.00 0.00 C ATOM 1154 C LEU A 104 -0.805 -12.216 -1.500 1.00 0.00 C ATOM 1155 O LEU A 104 -1.120 -13.210 -0.838 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.001 -10.938 0.561 1.00 0.00 C ATOM 1157 CG LEU A 104 1.408 -11.559 0.669 1.00 0.00 C ATOM 1158 CD1 LEU A 104 1.440 -12.777 1.581 1.00 0.00 C ATOM 1159 CD2 LEU A 104 2.065 -11.999 -0.629 1.00 0.00 C ATOM 0 H LEU A 104 -2.557 -11.007 0.050 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.097 -10.202 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.057 -9.924 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.658 -11.501 1.224 1.00 0.00 H new ATOM 0 HG LEU A 104 1.972 -10.716 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.454 -13.175 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.123 -12.489 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.766 -13.540 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.049 -12.417 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.446 -12.755 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.172 -11.140 -1.292 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.517 -12.315 -2.789 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.347 -13.611 -3.439 1.00 0.00 C ATOM 1173 C ASP A 105 1.044 -14.137 -3.104 1.00 0.00 C ATOM 1174 O ASP A 105 2.041 -13.667 -3.666 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.492 -13.574 -4.967 1.00 0.00 C ATOM 1176 CG ASP A 105 -0.773 -15.002 -5.465 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -1.550 -15.151 -6.434 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -0.240 -15.984 -4.885 1.00 0.00 O ATOM 0 H ASP A 105 -0.395 -11.514 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.143 -14.254 -3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.304 -12.906 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.418 -13.185 -5.425 1.00 0.00 H new ATOM 1184 N VAL A 106 1.138 -15.050 -2.131 1.00 0.00 N ATOM 1185 CA VAL A 106 2.439 -15.465 -1.635 1.00 0.00 C ATOM 1186 C VAL A 106 3.224 -16.181 -2.742 1.00 0.00 C ATOM 1187 O VAL A 106 4.425 -15.945 -2.873 1.00 0.00 O ATOM 1188 CB VAL A 106 2.289 -16.261 -0.317 1.00 0.00 C ATOM 1189 CG1 VAL A 106 2.158 -17.763 -0.552 1.00 0.00 C ATOM 1190 CG2 VAL A 106 3.473 -16.034 0.629 1.00 0.00 C ATOM 0 H VAL A 106 0.341 -15.504 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 106 3.040 -14.595 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 106 1.372 -15.885 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.056 -18.274 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.278 -17.960 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.047 -18.130 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.326 -16.612 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.394 -16.353 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.542 -14.975 0.878 1.00 0.00 H new ATOM 1200 N GLY A 107 2.551 -17.004 -3.558 1.00 0.00 N ATOM 1201 CA GLY A 107 3.221 -17.982 -4.401 1.00 0.00 C ATOM 1202 C GLY A 107 3.446 -17.446 -5.804 1.00 0.00 C ATOM 1203 O GLY A 107 4.311 -17.949 -6.522 1.00 0.00 O ATOM 0 H GLY A 107 1.535 -17.005 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.178 -18.253 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.623 -18.892 -4.450 1.00 0.00 H new ATOM 1207 N GLN A 108 2.706 -16.413 -6.204 1.00 0.00 N ATOM 1208 CA GLN A 108 3.040 -15.597 -7.363 1.00 0.00 C ATOM 1209 C GLN A 108 3.994 -14.463 -6.991 1.00 0.00 C ATOM 1210 O GLN A 108 4.456 -13.762 -7.892 1.00 0.00 O ATOM 1211 CB GLN A 108 1.745 -15.038 -7.968 1.00 0.00 C ATOM 1212 CG GLN A 108 0.960 -16.137 -8.699 1.00 0.00 C ATOM 1213 CD GLN A 108 1.531 -16.408 -10.094 1.00 0.00 C ATOM 1214 OE1 GLN A 108 2.653 -16.031 -10.411 1.00 0.00 O ATOM 1215 NE2 GLN A 108 0.776 -17.033 -10.979 1.00 0.00 N ATOM 0 H GLN A 108 1.853 -16.120 -5.728 1.00 0.00 H new ATOM 0 HA GLN A 108 3.551 -16.219 -8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.127 -14.608 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.982 -14.232 -8.663 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.985 -17.054 -8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.086 -15.842 -8.785 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.159 -17.349 -10.720 1.00 0.00 H new ATOM 0 HE22 GLN A 108 1.127 -17.200 -11.922 1.00 0.00 H new ATOM 1224 N GLN A 109 4.272 -14.272 -5.695 1.00 0.00 N ATOM 1225 CA GLN A 109 4.901 -13.087 -5.138 1.00 0.00 C ATOM 1226 C GLN A 109 4.295 -11.826 -5.753 1.00 0.00 C ATOM 1227 O GLN A 109 4.959 -11.111 -6.506 1.00 0.00 O ATOM 1228 CB GLN A 109 6.438 -13.164 -5.265 1.00 0.00 C ATOM 1229 CG GLN A 109 7.101 -13.781 -4.029 1.00 0.00 C ATOM 1230 CD GLN A 109 8.521 -13.235 -3.827 1.00 0.00 C ATOM 1231 OE1 GLN A 109 9.299 -13.075 -4.766 1.00 0.00 O ATOM 1232 NE2 GLN A 109 8.863 -12.833 -2.613 1.00 0.00 N ATOM 0 H GLN A 109 4.053 -14.971 -4.985 1.00 0.00 H new ATOM 0 HA GLN A 109 4.697 -13.037 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.697 -13.754 -6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 109 6.836 -12.162 -5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.498 -13.568 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 109 7.138 -14.865 -4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.220 -12.964 -1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.770 -12.392 -2.458 1.00 0.00 H new ATOM 1241 N ARG A 110 3.025 -11.540 -5.445 1.00 0.00 N ATOM 1242 CA ARG A 110 2.382 -10.335 -5.951 1.00 0.00 C ATOM 1243 C ARG A 110 1.463 -9.697 -4.925 1.00 0.00 C ATOM 1244 O ARG A 110 0.497 -10.309 -4.468 1.00 0.00 O ATOM 1245 CB ARG A 110 1.752 -10.598 -7.334 1.00 0.00 C ATOM 1246 CG ARG A 110 0.968 -9.421 -7.949 1.00 0.00 C ATOM 1247 CD ARG A 110 0.306 -9.790 -9.281 1.00 0.00 C ATOM 1248 NE ARG A 110 1.273 -9.892 -10.394 1.00 0.00 N ATOM 1249 CZ ARG A 110 1.113 -10.618 -11.509 1.00 0.00 C ATOM 1250 NH1 ARG A 110 0.066 -11.418 -11.666 1.00 0.00 N ATOM 1251 NH2 ARG A 110 2.009 -10.550 -12.481 1.00 0.00 N ATOM 0 H ARG A 110 2.432 -12.123 -4.854 1.00 0.00 H new ATOM 0 HA ARG A 110 3.140 -9.570 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.545 -10.882 -8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.081 -11.453 -7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.203 -9.091 -7.246 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.644 -8.580 -8.103 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.215 -10.741 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.446 -9.041 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 110 2.140 -9.362 -10.306 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.636 -11.489 -10.930 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.036 -11.962 -12.523 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.824 -9.944 -12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.885 -11.104 -13.329 1.00 0.00 H new ATOM 1265 N LEU A 111 1.760 -8.445 -4.593 1.00 0.00 N ATOM 1266 CA LEU A 111 0.912 -7.563 -3.837 1.00 0.00 C ATOM 1267 C LEU A 111 -0.151 -7.026 -4.769 1.00 0.00 C ATOM 1268 O LEU A 111 0.193 -6.304 -5.704 1.00 0.00 O ATOM 1269 CB LEU A 111 1.675 -6.446 -3.114 1.00 0.00 C ATOM 1270 CG LEU A 111 0.726 -5.681 -2.171 1.00 0.00 C ATOM 1271 CD1 LEU A 111 0.311 -6.491 -0.944 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.380 -4.376 -1.704 1.00 0.00 C ATOM 0 H LEU A 111 2.642 -8.008 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 111 0.449 -8.129 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.502 -6.870 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.107 -5.760 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.174 -5.476 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.356 -5.894 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.204 -7.397 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.197 -6.761 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.699 -3.846 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.304 -4.602 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.603 -3.751 -2.569 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.410 -7.349 -4.504 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.561 -6.712 -5.127 1.00 0.00 C ATOM 1286 C ASN A 112 -3.144 -5.732 -4.128 1.00 0.00 C ATOM 1287 O ASN A 112 -3.300 -6.066 -2.953 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.651 -7.735 -5.462 1.00 0.00 C ATOM 1289 CG ASN A 112 -3.379 -8.469 -6.766 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -3.252 -7.859 -7.827 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -3.290 -9.792 -6.735 1.00 0.00 N ATOM 0 H ASN A 112 -1.664 -8.077 -3.836 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.237 -6.226 -6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.728 -8.459 -4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.613 -7.227 -5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.115 -10.312 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.397 -10.290 -5.851 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.552 -4.566 -4.608 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.261 -3.534 -3.870 1.00 0.00 C ATOM 1300 C LEU A 113 -5.449 -3.107 -4.731 1.00 0.00 C ATOM 1301 O LEU A 113 -5.416 -3.263 -5.955 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.323 -2.338 -3.599 1.00 0.00 C ATOM 1303 CG LEU A 113 -1.993 -2.677 -2.889 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -1.086 -1.447 -2.797 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -2.179 -3.215 -1.469 1.00 0.00 C ATOM 0 H LEU A 113 -3.387 -4.301 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.604 -3.905 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.094 -1.857 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.861 -1.608 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.541 -3.456 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.158 -1.716 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.862 -1.084 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.592 -0.664 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.204 -3.432 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.692 -2.469 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.773 -4.128 -1.501 1.00 0.00 H new ATOM 1317 N THR A 114 -6.482 -2.528 -4.134 1.00 0.00 N ATOM 1318 CA THR A 114 -7.615 -1.963 -4.865 1.00 0.00 C ATOM 1319 C THR A 114 -7.977 -0.648 -4.189 1.00 0.00 C ATOM 1320 O THR A 114 -7.870 -0.567 -2.966 1.00 0.00 O ATOM 1321 CB THR A 114 -8.803 -2.938 -4.848 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.381 -4.251 -5.166 1.00 0.00 O ATOM 1323 CG2 THR A 114 -9.942 -2.562 -5.793 1.00 0.00 C ATOM 0 H THR A 114 -6.561 -2.435 -3.121 1.00 0.00 H new ATOM 0 HA THR A 114 -7.357 -1.791 -5.910 1.00 0.00 H new ATOM 0 HB THR A 114 -9.190 -2.882 -3.831 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.337 -4.788 -4.347 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.738 -3.303 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.332 -1.581 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.570 -2.533 -6.817 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.395 0.368 -4.947 1.00 0.00 N ATOM 1332 CA ILE A 115 -8.833 1.664 -4.438 1.00 0.00 C ATOM 1333 C ILE A 115 -9.975 2.169 -5.341 1.00 0.00 C ATOM 1334 O ILE A 115 -9.758 2.284 -6.552 1.00 0.00 O ATOM 1335 CB ILE A 115 -7.650 2.663 -4.371 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -6.547 2.149 -3.414 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.128 4.051 -3.911 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.385 3.114 -3.185 1.00 0.00 C ATOM 0 H ILE A 115 -8.438 0.307 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.202 1.567 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.235 2.748 -5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.002 1.918 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.150 1.215 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.279 4.734 -3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.868 4.432 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -8.576 3.972 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.666 2.662 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -4.896 3.327 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.762 4.042 -2.755 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.168 2.491 -4.800 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.246 3.114 -5.561 1.00 0.00 C ATOM 1352 C PRO A 116 -11.839 4.479 -6.106 1.00 0.00 C ATOM 1353 O PRO A 116 -11.108 5.234 -5.459 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.424 3.298 -4.601 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.090 2.417 -3.408 1.00 0.00 C ATOM 1356 CD PRO A 116 -11.573 2.303 -3.419 1.00 0.00 C ATOM 0 HA PRO A 116 -12.500 2.482 -6.412 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -13.534 4.341 -4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.364 2.997 -5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.446 2.860 -2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.561 1.438 -3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.120 3.056 -2.774 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -11.252 1.330 -3.047 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.414 4.856 -7.247 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.070 6.079 -7.955 1.00 0.00 C ATOM 1366 C GLN A 117 -12.421 7.323 -7.138 1.00 0.00 C ATOM 1367 O GLN A 117 -11.805 8.377 -7.302 1.00 0.00 O ATOM 1368 CB GLN A 117 -12.783 6.103 -9.310 1.00 0.00 C ATOM 1369 CG GLN A 117 -12.118 5.149 -10.305 1.00 0.00 C ATOM 1370 CD GLN A 117 -12.398 3.689 -9.975 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -13.517 3.215 -10.161 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -11.443 2.990 -9.382 1.00 0.00 N ATOM 0 H GLN A 117 -13.142 4.310 -7.709 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.992 6.093 -8.113 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.828 5.824 -9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.772 7.116 -9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.476 5.368 -11.311 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.041 5.320 -10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.522 3.404 -9.238 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.628 2.037 -9.069 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.365 7.170 -6.208 1.00 0.00 N ATOM 1382 CA ALA A 118 -13.800 8.175 -5.246 1.00 0.00 C ATOM 1383 C ALA A 118 -12.639 8.730 -4.411 1.00 0.00 C ATOM 1384 O ALA A 118 -12.742 9.841 -3.878 1.00 0.00 O ATOM 1385 CB ALA A 118 -14.868 7.568 -4.329 1.00 0.00 C ATOM 0 H ALA A 118 -13.873 6.292 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.215 9.013 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.196 8.316 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.719 7.243 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.449 6.713 -3.799 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.524 7.999 -4.321 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.358 8.359 -3.536 1.00 0.00 C ATOM 1393 C PHE A 119 -9.075 8.218 -4.362 1.00 0.00 C ATOM 1394 O PHE A 119 -8.085 7.712 -3.856 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.297 7.506 -2.261 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.547 7.459 -1.405 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -11.740 8.360 -0.347 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -12.459 6.411 -1.583 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -12.803 8.176 0.555 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.494 6.196 -0.664 1.00 0.00 C ATOM 1401 CZ PHE A 119 -13.676 7.086 0.405 1.00 0.00 C ATOM 0 H PHE A 119 -11.413 7.112 -4.812 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.444 9.406 -3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -10.044 6.485 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.478 7.876 -1.645 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -11.070 9.198 -0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -12.363 5.760 -2.440 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -12.949 8.875 1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -14.151 5.346 -0.778 1.00 0.00 H new ATOM 0 HZ PHE A 119 -14.482 6.934 1.108 1.00 0.00 H new ATOM 1411 N MET A 120 -9.014 8.673 -5.611 1.00 0.00 N ATOM 1412 CA MET A 120 -7.786 8.617 -6.400 1.00 0.00 C ATOM 1413 C MET A 120 -7.504 10.026 -6.950 1.00 0.00 C ATOM 1414 O MET A 120 -8.302 10.541 -7.730 1.00 0.00 O ATOM 1415 CB MET A 120 -7.979 7.606 -7.541 1.00 0.00 C ATOM 1416 CG MET A 120 -7.996 6.153 -7.051 1.00 0.00 C ATOM 1417 SD MET A 120 -8.020 4.913 -8.379 1.00 0.00 S ATOM 1418 CE MET A 120 -6.272 4.967 -8.889 1.00 0.00 C ATOM 0 H MET A 120 -9.807 9.087 -6.101 1.00 0.00 H new ATOM 0 HA MET A 120 -6.939 8.296 -5.794 1.00 0.00 H new ATOM 0 HB2 MET A 120 -8.915 7.822 -8.057 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.178 7.730 -8.269 1.00 0.00 H new ATOM 0 HG2 MET A 120 -7.119 5.982 -6.427 1.00 0.00 H new ATOM 0 HG3 MET A 120 -8.871 6.006 -6.418 1.00 0.00 H new ATOM 0 HE1 MET A 120 -6.093 4.211 -9.654 1.00 0.00 H new ATOM 0 HE2 MET A 120 -6.041 5.953 -9.292 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.635 4.769 -8.027 1.00 0.00 H new ATOM 1428 N SER A 121 -6.430 10.693 -6.516 1.00 0.00 N ATOM 1429 CA SER A 121 -5.904 11.953 -7.030 1.00 0.00 C ATOM 1430 C SER A 121 -4.425 12.027 -6.611 1.00 0.00 C ATOM 1431 O SER A 121 -4.115 11.716 -5.464 1.00 0.00 O ATOM 1432 CB SER A 121 -6.704 13.135 -6.469 1.00 0.00 C ATOM 1433 OG SER A 121 -6.579 14.284 -7.289 1.00 0.00 O ATOM 0 H SER A 121 -5.869 10.338 -5.742 1.00 0.00 H new ATOM 0 HA SER A 121 -5.990 12.002 -8.115 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.755 12.858 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.356 13.366 -5.462 1.00 0.00 H new ATOM 0 HG SER A 121 -7.102 15.018 -6.905 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.527 12.469 -7.501 1.00 0.00 N ATOM 1440 CA ASN A 122 -2.067 12.528 -7.273 1.00 0.00 C ATOM 1441 C ASN A 122 -1.662 13.378 -6.081 1.00 0.00 C ATOM 1442 O ASN A 122 -0.665 13.108 -5.412 1.00 0.00 O ATOM 1443 CB ASN A 122 -1.368 13.214 -8.455 1.00 0.00 C ATOM 1444 CG ASN A 122 -1.313 12.343 -9.686 1.00 0.00 C ATOM 1445 OD1 ASN A 122 -0.397 11.548 -9.860 1.00 0.00 O ATOM 1446 ND2 ASN A 122 -2.265 12.490 -10.579 1.00 0.00 N ATOM 0 H ASN A 122 -3.797 12.805 -8.425 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.781 11.487 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.892 14.140 -8.693 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -0.354 13.487 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -2.250 11.937 -11.436 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -3.019 13.157 -10.416 1.00 0.00 H new ATOM 1453 N ARG A 123 -2.329 14.518 -5.937 1.00 0.00 N ATOM 1454 CA ARG A 123 -2.040 15.553 -4.958 1.00 0.00 C ATOM 1455 C ARG A 123 -2.056 14.940 -3.562 1.00 0.00 C ATOM 1456 O ARG A 123 -3.156 14.646 -3.105 1.00 0.00 O ATOM 1457 CB ARG A 123 -3.082 16.690 -5.089 1.00 0.00 C ATOM 1458 CG ARG A 123 -4.512 16.243 -5.464 1.00 0.00 C ATOM 1459 CD ARG A 123 -5.563 17.303 -5.128 1.00 0.00 C ATOM 1460 NE ARG A 123 -5.761 18.306 -6.188 1.00 0.00 N ATOM 1461 CZ ARG A 123 -6.602 19.341 -6.085 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -7.190 19.638 -4.930 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -6.882 20.095 -7.141 1.00 0.00 N ATOM 0 H ARG A 123 -3.124 14.754 -6.530 1.00 0.00 H new ATOM 0 HA ARG A 123 -1.052 15.978 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -3.125 17.230 -4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.731 17.395 -5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.552 16.021 -6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.751 15.319 -4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -6.513 16.808 -4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -5.270 17.812 -4.210 1.00 0.00 H new ATOM 0 HE ARG A 123 -5.226 18.206 -7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -7.003 19.072 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -7.828 20.431 -4.872 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -6.454 19.888 -8.043 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -7.525 20.882 -7.050 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.916 14.733 -2.888 1.00 0.00 N ATOM 1478 CA ALA A 124 -0.887 14.409 -1.464 1.00 0.00 C ATOM 1479 C ALA A 124 -0.468 15.630 -0.640 1.00 0.00 C ATOM 1480 O ALA A 124 -0.185 16.707 -1.172 1.00 0.00 O ATOM 1481 CB ALA A 124 -0.018 13.174 -1.207 1.00 0.00 C ATOM 0 H ALA A 124 0.007 14.786 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.893 14.148 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.010 12.950 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -0.425 12.323 -1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.000 13.369 -1.544 1.00 0.00 H new ATOM 1487 N ARG A 125 -0.466 15.469 0.684 1.00 0.00 N ATOM 1488 CA ARG A 125 -0.387 16.549 1.675 1.00 0.00 C ATOM 1489 C ARG A 125 1.054 16.740 2.167 1.00 0.00 C ATOM 1490 O ARG A 125 1.280 16.987 3.351 1.00 0.00 O ATOM 1491 CB ARG A 125 -1.396 16.234 2.799 1.00 0.00 C ATOM 1492 CG ARG A 125 -2.350 17.380 3.136 1.00 0.00 C ATOM 1493 CD ARG A 125 -1.594 18.568 3.710 1.00 0.00 C ATOM 1494 NE ARG A 125 -2.481 19.708 3.973 1.00 0.00 N ATOM 1495 CZ ARG A 125 -2.045 20.918 4.330 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -0.745 21.160 4.420 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -2.895 21.908 4.561 1.00 0.00 N ATOM 0 H ARG A 125 -0.522 14.546 1.115 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.659 17.508 1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.983 15.363 2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.844 15.961 3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.888 17.686 2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.096 17.038 3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.101 18.271 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.811 18.870 3.014 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.487 19.567 3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -0.073 20.420 4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.416 22.086 4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.898 21.751 4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.546 22.827 4.833 1.00 0.00 H new ATOM 1511 N GLY A 126 2.003 16.532 1.264 1.00 0.00 N ATOM 1512 CA GLY A 126 3.383 16.151 1.492 1.00 0.00 C ATOM 1513 C GLY A 126 3.719 15.143 0.393 1.00 0.00 C ATOM 1514 O GLY A 126 2.810 14.662 -0.301 1.00 0.00 O ATOM 0 H GLY A 126 1.806 16.636 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.042 17.018 1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.509 15.710 2.481 1.00 0.00 H new ATOM 1518 N TYR A 127 4.988 14.806 0.212 1.00 0.00 N ATOM 1519 CA TYR A 127 5.435 13.826 -0.766 1.00 0.00 C ATOM 1520 C TYR A 127 6.714 13.219 -0.203 1.00 0.00 C ATOM 1521 O TYR A 127 7.558 13.955 0.299 1.00 0.00 O ATOM 1522 CB TYR A 127 5.667 14.495 -2.141 1.00 0.00 C ATOM 1523 CG TYR A 127 6.985 14.163 -2.830 1.00 0.00 C ATOM 1524 CD1 TYR A 127 7.244 12.853 -3.270 1.00 0.00 C ATOM 1525 CD2 TYR A 127 7.984 15.145 -2.970 1.00 0.00 C ATOM 1526 CE1 TYR A 127 8.474 12.527 -3.851 1.00 0.00 C ATOM 1527 CE2 TYR A 127 9.196 14.842 -3.621 1.00 0.00 C ATOM 1528 CZ TYR A 127 9.438 13.528 -4.077 1.00 0.00 C ATOM 1529 OH TYR A 127 10.579 13.216 -4.752 1.00 0.00 O ATOM 0 H TYR A 127 5.751 15.215 0.752 1.00 0.00 H new ATOM 0 HA TYR A 127 4.687 13.051 -0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 127 4.851 14.209 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 127 5.609 15.576 -2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.486 12.091 -3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.820 16.137 -2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 127 8.685 11.504 -4.127 1.00 0.00 H new ATOM 0 HE2 TYR A 127 9.938 15.613 -3.771 1.00 0.00 H new ATOM 0 HH TYR A 127 11.143 14.014 -4.828 1.00 0.00 H new ATOM 1539 N ILE A 128 6.864 11.898 -0.327 1.00 0.00 N ATOM 1540 CA ILE A 128 8.053 11.146 0.045 1.00 0.00 C ATOM 1541 C ILE A 128 8.328 10.133 -1.077 1.00 0.00 C ATOM 1542 O ILE A 128 7.405 9.407 -1.461 1.00 0.00 O ATOM 1543 CB ILE A 128 7.896 10.508 1.447 1.00 0.00 C ATOM 1544 CG1 ILE A 128 7.764 11.600 2.527 1.00 0.00 C ATOM 1545 CG2 ILE A 128 9.011 9.518 1.827 1.00 0.00 C ATOM 1546 CD1 ILE A 128 8.982 12.522 2.684 1.00 0.00 C ATOM 0 H ILE A 128 6.127 11.304 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 128 8.922 11.798 0.139 1.00 0.00 H new ATOM 0 HB ILE A 128 6.981 9.918 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.893 12.213 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.569 11.118 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 128 8.820 9.120 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.032 8.699 1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 128 9.972 10.032 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 128 8.786 13.253 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 128 9.856 11.928 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 128 9.170 13.040 1.744 1.00 0.00 H new ATOM 1558 N PRO A 129 9.545 10.119 -1.648 1.00 0.00 N ATOM 1559 CA PRO A 129 9.983 9.167 -2.658 1.00 0.00 C ATOM 1560 C PRO A 129 10.293 7.793 -2.042 1.00 0.00 C ATOM 1561 O PRO A 129 10.525 7.684 -0.833 1.00 0.00 O ATOM 1562 CB PRO A 129 11.240 9.796 -3.273 1.00 0.00 C ATOM 1563 CG PRO A 129 11.786 10.746 -2.216 1.00 0.00 C ATOM 1564 CD PRO A 129 10.638 10.982 -1.248 1.00 0.00 C ATOM 0 HA PRO A 129 9.209 8.984 -3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 129 11.974 9.032 -3.530 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.001 10.330 -4.193 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.646 10.313 -1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 129 12.120 11.682 -2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.947 10.761 -0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.328 12.027 -1.268 1.00 0.00 H new ATOM 1572 N PRO A 130 10.403 6.733 -2.863 1.00 0.00 N ATOM 1573 CA PRO A 130 10.554 5.369 -2.369 1.00 0.00 C ATOM 1574 C PRO A 130 11.956 5.089 -1.805 1.00 0.00 C ATOM 1575 O PRO A 130 12.198 4.007 -1.269 1.00 0.00 O ATOM 1576 CB PRO A 130 10.236 4.481 -3.570 1.00 0.00 C ATOM 1577 CG PRO A 130 10.741 5.310 -4.743 1.00 0.00 C ATOM 1578 CD PRO A 130 10.373 6.735 -4.322 1.00 0.00 C ATOM 0 HA PRO A 130 9.888 5.179 -1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.743 3.518 -3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.169 4.275 -3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 130 11.815 5.194 -4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 130 10.259 5.026 -5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 130 11.080 7.459 -4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 130 9.386 7.011 -4.693 1.00 0.00 H new ATOM 1586 N GLU A 131 12.887 6.032 -1.928 1.00 0.00 N ATOM 1587 CA GLU A 131 14.229 5.928 -1.377 1.00 0.00 C ATOM 1588 C GLU A 131 14.254 6.294 0.112 1.00 0.00 C ATOM 1589 O GLU A 131 15.139 5.847 0.839 1.00 0.00 O ATOM 1590 CB GLU A 131 15.121 6.879 -2.186 1.00 0.00 C ATOM 1591 CG GLU A 131 16.625 6.587 -2.072 1.00 0.00 C ATOM 1592 CD GLU A 131 17.258 6.569 -3.463 1.00 0.00 C ATOM 1593 OE1 GLU A 131 17.814 7.611 -3.901 1.00 0.00 O ATOM 1594 OE2 GLU A 131 17.081 5.554 -4.173 1.00 0.00 O ATOM 0 H GLU A 131 12.722 6.907 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 131 14.588 4.901 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 131 14.831 6.825 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 131 14.935 7.901 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 131 17.106 7.345 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.782 5.628 -1.579 1.00 0.00 H new ATOM 1602 N LEU A 132 13.297 7.115 0.563 1.00 0.00 N ATOM 1603 CA LEU A 132 13.322 7.724 1.894 1.00 0.00 C ATOM 1604 C LEU A 132 12.449 6.971 2.890 1.00 0.00 C ATOM 1605 O LEU A 132 12.744 6.996 4.083 1.00 0.00 O ATOM 1606 CB LEU A 132 12.885 9.201 1.804 1.00 0.00 C ATOM 1607 CG LEU A 132 13.982 10.155 1.294 1.00 0.00 C ATOM 1608 CD1 LEU A 132 13.434 11.581 1.197 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.205 10.204 2.223 1.00 0.00 C ATOM 0 H LEU A 132 12.480 7.375 0.010 1.00 0.00 H new ATOM 0 HA LEU A 132 14.346 7.669 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.021 9.273 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 132 12.561 9.533 2.790 1.00 0.00 H new ATOM 0 HG LEU A 132 14.288 9.771 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 132 14.217 12.248 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 132 12.592 11.601 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 132 13.102 11.911 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 132 15.945 10.892 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 132 14.898 10.547 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.641 9.208 2.304 1.00 0.00 H new ATOM 1621 N TRP A 133 11.425 6.260 2.419 1.00 0.00 N ATOM 1622 CA TRP A 133 10.589 5.398 3.251 1.00 0.00 C ATOM 1623 C TRP A 133 11.176 3.995 3.430 1.00 0.00 C ATOM 1624 O TRP A 133 10.469 3.134 3.948 1.00 0.00 O ATOM 1625 CB TRP A 133 9.177 5.370 2.667 1.00 0.00 C ATOM 1626 CG TRP A 133 8.853 4.264 1.712 1.00 0.00 C ATOM 1627 CD1 TRP A 133 9.590 3.825 0.671 1.00 0.00 C ATOM 1628 CD2 TRP A 133 7.700 3.392 1.771 1.00 0.00 C ATOM 1629 NE1 TRP A 133 8.959 2.752 0.066 1.00 0.00 N ATOM 1630 CE2 TRP A 133 7.787 2.430 0.725 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.592 3.341 2.631 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 6.810 1.437 0.556 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.569 2.400 2.424 1.00 0.00 C ATOM 1634 CH2 TRP A 133 5.682 1.444 1.401 1.00 0.00 C ATOM 0 H TRP A 133 11.150 6.267 1.437 1.00 0.00 H new ATOM 0 HA TRP A 133 10.551 5.814 4.258 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.470 5.319 3.495 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.003 6.318 2.157 1.00 0.00 H new ATOM 0 HD1 TRP A 133 10.533 4.248 0.356 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.312 2.264 -0.757 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.525 4.031 3.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 6.920 0.681 -0.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 4.692 2.412 3.054 1.00 0.00 H new ATOM 0 HH2 TRP A 133 4.901 0.711 1.261 1.00 0.00 H new ATOM 1645 N ASP A 134 12.390 3.761 2.916 1.00 0.00 N ATOM 1646 CA ASP A 134 13.025 2.473 2.639 1.00 0.00 C ATOM 1647 C ASP A 134 12.568 1.353 3.586 1.00 0.00 C ATOM 1648 O ASP A 134 13.051 1.279 4.713 1.00 0.00 O ATOM 1649 CB ASP A 134 14.548 2.615 2.535 1.00 0.00 C ATOM 1650 CG ASP A 134 15.290 2.885 3.838 1.00 0.00 C ATOM 1651 OD1 ASP A 134 16.088 2.010 4.237 1.00 0.00 O ATOM 1652 OD2 ASP A 134 15.183 3.999 4.398 1.00 0.00 O ATOM 0 H ASP A 134 13.003 4.536 2.663 1.00 0.00 H new ATOM 0 HA ASP A 134 12.677 2.148 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 134 14.948 1.701 2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 134 14.770 3.425 1.840 1.00 0.00 H new ATOM 1658 N PRO A 135 11.579 0.528 3.181 1.00 0.00 N ATOM 1659 CA PRO A 135 10.906 -0.364 4.110 1.00 0.00 C ATOM 1660 C PRO A 135 11.852 -1.450 4.614 1.00 0.00 C ATOM 1661 O PRO A 135 11.879 -1.738 5.807 1.00 0.00 O ATOM 1662 CB PRO A 135 9.719 -0.984 3.364 1.00 0.00 C ATOM 1663 CG PRO A 135 9.504 -0.051 2.184 1.00 0.00 C ATOM 1664 CD PRO A 135 10.878 0.549 1.910 1.00 0.00 C ATOM 0 HA PRO A 135 10.566 0.189 4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 135 9.939 -2.000 3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 135 8.833 -1.039 3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 135 9.127 -0.591 1.315 1.00 0.00 H new ATOM 0 HG3 PRO A 135 8.774 0.723 2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.414 -0.030 1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.791 1.566 1.528 1.00 0.00 H new ATOM 1672 N GLY A 136 12.611 -2.053 3.695 1.00 0.00 N ATOM 1673 CA GLY A 136 13.697 -2.961 4.024 1.00 0.00 C ATOM 1674 C GLY A 136 14.504 -3.280 2.772 1.00 0.00 C ATOM 1675 O GLY A 136 14.513 -4.429 2.333 1.00 0.00 O ATOM 0 H GLY A 136 12.482 -1.918 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.343 -2.511 4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.297 -3.880 4.453 1.00 0.00 H new ATOM 1679 N ILE A 137 15.077 -2.260 2.121 1.00 0.00 N ATOM 1680 CA ILE A 137 15.656 -2.385 0.781 1.00 0.00 C ATOM 1681 C ILE A 137 16.988 -3.138 0.869 1.00 0.00 C ATOM 1682 O ILE A 137 18.064 -2.536 0.957 1.00 0.00 O ATOM 1683 CB ILE A 137 15.794 -1.022 0.060 1.00 0.00 C ATOM 1684 CG1 ILE A 137 14.464 -0.236 0.026 1.00 0.00 C ATOM 1685 CG2 ILE A 137 16.279 -1.258 -1.387 1.00 0.00 C ATOM 1686 CD1 ILE A 137 14.647 1.173 -0.555 1.00 0.00 C ATOM 0 H ILE A 137 15.151 -1.321 2.512 1.00 0.00 H new ATOM 0 HA ILE A 137 14.969 -2.964 0.163 1.00 0.00 H new ATOM 0 HB ILE A 137 16.515 -0.427 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 137 13.734 -0.783 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.060 -0.163 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 137 16.378 -0.300 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 137 17.246 -1.761 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.556 -1.879 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 137 13.688 1.691 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.357 1.730 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.026 1.100 -1.574 1.00 0.00 H new ATOM 1698 N ASN A 138 16.903 -4.468 0.802 1.00 0.00 N ATOM 1699 CA ASN A 138 18.006 -5.408 0.994 1.00 0.00 C ATOM 1700 C ASN A 138 18.815 -5.058 2.250 1.00 0.00 C ATOM 1701 O ASN A 138 20.037 -5.210 2.275 1.00 0.00 O ATOM 1702 CB ASN A 138 18.840 -5.540 -0.302 1.00 0.00 C ATOM 1703 CG ASN A 138 18.456 -6.767 -1.112 1.00 0.00 C ATOM 1704 OD1 ASN A 138 19.211 -7.729 -1.210 1.00 0.00 O ATOM 1705 ND2 ASN A 138 17.259 -6.818 -1.666 1.00 0.00 N ATOM 0 H ASN A 138 16.021 -4.940 0.603 1.00 0.00 H new ATOM 0 HA ASN A 138 17.610 -6.405 1.185 1.00 0.00 H new ATOM 0 HB2 ASN A 138 18.703 -4.647 -0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 138 19.898 -5.592 -0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 138 16.966 -7.654 -2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 138 16.627 -6.022 -1.588 1.00 0.00 H new ATOM 1712 N ALA A 139 18.145 -4.564 3.293 1.00 0.00 N ATOM 1713 CA ALA A 139 18.699 -4.057 4.534 1.00 0.00 C ATOM 1714 C ALA A 139 17.571 -4.047 5.553 1.00 0.00 C ATOM 1715 O ALA A 139 17.848 -3.878 6.756 1.00 0.00 O ATOM 1716 CB ALA A 139 19.213 -2.627 4.310 1.00 0.00 C ATOM 0 H ALA A 139 17.127 -4.507 3.284 1.00 0.00 H new ATOM 0 HA ALA A 139 19.527 -4.674 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 139 19.631 -2.241 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 139 19.985 -2.634 3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 139 18.388 -1.990 3.990 1.00 0.00 H new TER 1722 ALA A 139