USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1050 hydrogens (6 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 NoAdj-H: A 15 TPO H2 : A 15 TPO N : A 14 THR C :(H bumps) USER MOD Set 1.1: A 89 HIS : no HD1:sc= -3.94! C(o=-3.4!,f=-7.6!) USER MOD Set 1.2: A 110 THR OG1 : rot -130:sc= 0.544 USER MOD Set 2.1: A 65 GLN : amide:sc= -0.715 K(o=-1.3,f=-3!) USER MOD Set 2.2: A 68 THR OG1 : rot -110:sc= -0.549 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0567 (180deg=-0.394) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.37 (180deg=0.554) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0.0507 K(o=0.051,f=-2.7!) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.392 K(o=0.39,f=-1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -175:sc= -0.672 (180deg=-0.687) USER MOD Single : A 28 SER OG : rot 90:sc= 0.0265 USER MOD Single : A 29 SER OG : rot 67:sc= -1.46 USER MOD Single : A 30 THR OG1 : rot 139:sc= 0.325 USER MOD Single : A 32 THR OG1 : rot -122:sc= 1.37 USER MOD Single : A 36 SER OG : rot -170:sc= 0.474 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00669 USER MOD Single : A 41 ASN : amide:sc=-0.00746 X(o=-0.0075,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.56! C(o=-3.6!,f=-6.9!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -0.505 K(o=-0.51,f=-3.9!) USER MOD Single : A 76 SER OG : rot 177:sc= 0.954 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 86 SER OG : rot -124:sc= 1.03 USER MOD Single : A 95 ASN : amide:sc= 0.964 K(o=0.96,f=-0.046) USER MOD Single : A 106 SER OG : rot 14:sc= 1.04 USER MOD Single : A 108 ASN : amide:sc= -0.205 K(o=-0.2,f=-2.1!) USER MOD Single : A 111 TYR OH : rot 130:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.516 K(o=0.52,f=-0.39) USER MOD Single : A 118 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 122 MET CE :methyl 153:sc= -0.121 (180deg=-1.94) USER MOD Single : A 123 GLN : amide:sc= -0.0198 K(o=-0.02,f=-1.2!) USER MOD Single : A 124 THR OG1 : rot -150:sc= 0.2 USER MOD Single : A 129 GLN : amide:sc= 0.795 K(o=0.8,f=-0.77) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.583 0.034 -11.464 1.00 11.00 N ATOM 2 CA MET A 1 25.812 0.632 -10.150 1.00 43.05 C ATOM 3 C MET A 1 24.902 0.004 -9.118 1.00 3.33 C ATOM 4 O MET A 1 23.684 0.164 -9.169 1.00 50.15 O ATOM 5 CB MET A 1 25.613 2.165 -10.151 1.00 61.10 C ATOM 6 CG MET A 1 26.629 2.958 -10.968 1.00 74.03 C ATOM 7 SD MET A 1 26.466 2.734 -12.751 1.00 41.15 S ATOM 8 CE MET A 1 24.872 3.512 -13.064 1.00 73.02 C ATOM 0 H1 MET A 1 25.700 0.759 -12.200 1.00 11.00 H new ATOM 0 H2 MET A 1 26.268 -0.732 -11.621 1.00 11.00 H new ATOM 0 H3 MET A 1 24.618 -0.351 -11.507 1.00 11.00 H new ATOM 0 HA MET A 1 26.853 0.436 -9.895 1.00 43.05 H new ATOM 0 HB2 MET A 1 24.616 2.384 -10.532 1.00 61.10 H new ATOM 0 HB3 MET A 1 25.645 2.519 -9.121 1.00 61.10 H new ATOM 0 HG2 MET A 1 26.522 4.017 -10.733 1.00 74.03 H new ATOM 0 HG3 MET A 1 27.634 2.664 -10.665 1.00 74.03 H new ATOM 0 HE1 MET A 1 24.773 3.722 -14.129 1.00 73.02 H new ATOM 0 HE2 MET A 1 24.072 2.841 -12.750 1.00 73.02 H new ATOM 0 HE3 MET A 1 24.805 4.444 -12.503 1.00 73.02 H new ATOM 20 N SER A 2 25.486 -0.704 -8.207 1.00 43.30 N ATOM 21 CA SER A 2 24.788 -1.342 -7.143 1.00 24.43 C ATOM 22 C SER A 2 25.706 -1.272 -5.929 1.00 32.25 C ATOM 23 O SER A 2 26.612 -2.112 -5.751 1.00 10.44 O ATOM 24 CB SER A 2 24.455 -2.798 -7.537 1.00 23.12 C ATOM 25 OG SER A 2 23.592 -3.431 -6.607 1.00 64.54 O ATOM 0 H SER A 2 26.494 -0.858 -8.184 1.00 43.30 H new ATOM 0 HA SER A 2 23.838 -0.856 -6.920 1.00 24.43 H new ATOM 0 HB2 SER A 2 23.990 -2.806 -8.523 1.00 23.12 H new ATOM 0 HB3 SER A 2 25.380 -3.370 -7.616 1.00 23.12 H new ATOM 0 HG SER A 2 23.410 -4.348 -6.901 1.00 64.54 H new ATOM 31 N ASP A 3 25.545 -0.222 -5.173 1.00 52.01 N ATOM 32 CA ASP A 3 26.397 0.077 -4.044 1.00 30.21 C ATOM 33 C ASP A 3 25.563 0.762 -2.986 1.00 43.43 C ATOM 34 O ASP A 3 24.742 1.619 -3.317 1.00 14.25 O ATOM 35 CB ASP A 3 27.538 0.985 -4.531 1.00 1.54 C ATOM 36 CG ASP A 3 28.505 1.425 -3.464 1.00 14.53 C ATOM 37 OD1 ASP A 3 29.016 0.583 -2.716 1.00 14.10 O ATOM 38 OD2 ASP A 3 28.800 2.643 -3.381 1.00 35.22 O ATOM 0 H ASP A 3 24.806 0.465 -5.322 1.00 52.01 H new ATOM 0 HA ASP A 3 26.828 -0.827 -3.614 1.00 30.21 H new ATOM 0 HB2 ASP A 3 28.093 0.459 -5.308 1.00 1.54 H new ATOM 0 HB3 ASP A 3 27.104 1.871 -4.994 1.00 1.54 H new ATOM 43 N ASN A 4 25.730 0.375 -1.739 1.00 25.52 N ATOM 44 CA ASN A 4 24.926 0.925 -0.645 1.00 71.34 C ATOM 45 C ASN A 4 25.570 2.179 -0.083 1.00 51.01 C ATOM 46 O ASN A 4 26.715 2.495 -0.398 1.00 25.43 O ATOM 47 CB ASN A 4 24.730 -0.094 0.510 1.00 74.22 C ATOM 48 CG ASN A 4 26.019 -0.424 1.275 1.00 24.13 C ATOM 49 OD1 ASN A 4 27.109 -0.496 0.711 1.00 33.01 O ATOM 50 ND2 ASN A 4 25.907 -0.608 2.568 1.00 12.32 N ATOM 0 H ASN A 4 26.416 -0.321 -1.447 1.00 25.52 H new ATOM 0 HA ASN A 4 23.950 1.162 -1.068 1.00 71.34 H new ATOM 0 HB2 ASN A 4 23.995 0.303 1.210 1.00 74.22 H new ATOM 0 HB3 ASN A 4 24.316 -1.016 0.102 1.00 74.22 H new ATOM 0 HD21 ASN A 4 26.734 -0.816 3.127 1.00 12.32 H new ATOM 0 HD22 ASN A 4 24.992 -0.543 3.015 1.00 12.32 H new ATOM 57 N ASN A 5 24.846 2.885 0.752 1.00 72.02 N ATOM 58 CA ASN A 5 25.376 4.076 1.383 1.00 23.23 C ATOM 59 C ASN A 5 26.033 3.688 2.679 1.00 3.43 C ATOM 60 O ASN A 5 25.356 3.189 3.591 1.00 31.41 O ATOM 61 CB ASN A 5 24.275 5.114 1.682 1.00 74.02 C ATOM 62 CG ASN A 5 23.494 5.557 0.464 1.00 24.24 C ATOM 63 OD1 ASN A 5 22.465 4.974 0.134 1.00 13.21 O ATOM 64 ND2 ASN A 5 23.951 6.583 -0.200 1.00 71.25 N ATOM 0 H ASN A 5 23.886 2.657 1.012 1.00 72.02 H new ATOM 0 HA ASN A 5 26.090 4.528 0.695 1.00 23.23 H new ATOM 0 HB2 ASN A 5 23.582 4.693 2.411 1.00 74.02 H new ATOM 0 HB3 ASN A 5 24.732 5.989 2.145 1.00 74.02 H new ATOM 0 HD21 ASN A 5 23.450 6.924 -1.021 1.00 71.25 H new ATOM 0 HD22 ASN A 5 24.809 7.044 0.102 1.00 71.25 H new ATOM 71 N GLY A 6 27.339 3.861 2.756 1.00 63.02 N ATOM 72 CA GLY A 6 28.052 3.588 3.988 1.00 15.22 C ATOM 73 C GLY A 6 27.643 4.585 5.032 1.00 33.31 C ATOM 74 O GLY A 6 27.284 4.231 6.158 1.00 44.11 O ATOM 0 H GLY A 6 27.923 4.187 1.986 1.00 63.02 H new ATOM 0 HA2 GLY A 6 27.834 2.576 4.330 1.00 15.22 H new ATOM 0 HA3 GLY A 6 29.127 3.643 3.819 1.00 15.22 H new ATOM 78 N THR A 7 27.673 5.829 4.646 1.00 4.34 N ATOM 79 CA THR A 7 27.189 6.895 5.456 1.00 31.13 C ATOM 80 C THR A 7 25.996 7.523 4.720 1.00 51.54 C ATOM 81 O THR A 7 26.170 8.138 3.667 1.00 62.32 O ATOM 82 CB THR A 7 28.297 7.938 5.683 1.00 32.40 C ATOM 83 OG1 THR A 7 29.460 7.268 6.202 1.00 45.22 O ATOM 84 CG2 THR A 7 27.848 9.003 6.679 1.00 5.35 C ATOM 0 H THR A 7 28.042 6.129 3.744 1.00 4.34 H new ATOM 0 HA THR A 7 26.881 6.528 6.435 1.00 31.13 H new ATOM 0 HB THR A 7 28.523 8.426 4.735 1.00 32.40 H new ATOM 0 HG1 THR A 7 30.175 7.921 6.350 1.00 45.22 H new ATOM 0 HG21 THR A 7 28.649 9.728 6.822 1.00 5.35 H new ATOM 0 HG22 THR A 7 26.963 9.511 6.295 1.00 5.35 H new ATOM 0 HG23 THR A 7 27.610 8.532 7.633 1.00 5.35 H new ATOM 92 N PRO A 8 24.768 7.313 5.223 1.00 61.21 N ATOM 93 CA PRO A 8 23.555 7.808 4.569 1.00 60.22 C ATOM 94 C PRO A 8 23.473 9.332 4.551 1.00 61.32 C ATOM 95 O PRO A 8 23.891 10.013 5.508 1.00 24.11 O ATOM 96 CB PRO A 8 22.416 7.212 5.403 1.00 44.20 C ATOM 97 CG PRO A 8 23.025 6.920 6.730 1.00 62.40 C ATOM 98 CD PRO A 8 24.464 6.590 6.471 1.00 20.35 C ATOM 0 HA PRO A 8 23.521 7.517 3.519 1.00 60.22 H new ATOM 0 HB2 PRO A 8 21.586 7.912 5.495 1.00 44.20 H new ATOM 0 HB3 PRO A 8 22.021 6.307 4.942 1.00 44.20 H new ATOM 0 HG2 PRO A 8 22.937 7.779 7.395 1.00 62.40 H new ATOM 0 HG3 PRO A 8 22.517 6.087 7.216 1.00 62.40 H new ATOM 0 HD2 PRO A 8 25.104 6.918 7.290 1.00 20.35 H new ATOM 0 HD3 PRO A 8 24.615 5.516 6.359 1.00 20.35 H new ATOM 106 N GLU A 9 22.951 9.859 3.471 1.00 33.34 N ATOM 107 CA GLU A 9 22.818 11.281 3.310 1.00 54.34 C ATOM 108 C GLU A 9 21.537 11.787 3.917 1.00 75.02 C ATOM 109 O GLU A 9 20.450 11.258 3.625 1.00 65.43 O ATOM 110 CB GLU A 9 22.840 11.680 1.847 1.00 14.44 C ATOM 111 CG GLU A 9 24.170 11.525 1.173 1.00 34.14 C ATOM 112 CD GLU A 9 24.129 12.014 -0.245 1.00 21.24 C ATOM 113 OE1 GLU A 9 23.443 13.017 -0.521 1.00 63.22 O ATOM 114 OE2 GLU A 9 24.776 11.403 -1.118 1.00 4.14 O ATOM 0 H GLU A 9 22.607 9.313 2.681 1.00 33.34 H new ATOM 0 HA GLU A 9 23.669 11.727 3.824 1.00 54.34 H new ATOM 0 HB2 GLU A 9 22.105 11.081 1.310 1.00 14.44 H new ATOM 0 HB3 GLU A 9 22.525 12.720 1.764 1.00 14.44 H new ATOM 0 HG2 GLU A 9 24.927 12.079 1.728 1.00 34.14 H new ATOM 0 HG3 GLU A 9 24.467 10.476 1.189 1.00 34.14 H new ATOM 121 N PRO A 10 21.624 12.796 4.775 1.00 51.10 N ATOM 122 CA PRO A 10 20.462 13.439 5.297 1.00 73.00 C ATOM 123 C PRO A 10 19.850 14.359 4.253 1.00 41.50 C ATOM 124 O PRO A 10 20.245 15.521 4.086 1.00 54.42 O ATOM 125 CB PRO A 10 20.950 14.211 6.503 1.00 40.51 C ATOM 126 CG PRO A 10 22.408 14.437 6.271 1.00 71.20 C ATOM 127 CD PRO A 10 22.873 13.365 5.324 1.00 4.43 C ATOM 0 HA PRO A 10 19.680 12.731 5.569 1.00 73.00 H new ATOM 0 HB2 PRO A 10 20.418 15.157 6.605 1.00 40.51 H new ATOM 0 HB3 PRO A 10 20.782 13.650 7.422 1.00 40.51 H new ATOM 0 HG2 PRO A 10 22.583 15.427 5.849 1.00 71.20 H new ATOM 0 HG3 PRO A 10 22.960 14.389 7.210 1.00 71.20 H new ATOM 0 HD2 PRO A 10 23.503 13.777 4.535 1.00 4.43 H new ATOM 0 HD3 PRO A 10 23.463 12.607 5.840 1.00 4.43 H new ATOM 135 N GLN A 11 18.943 13.803 3.524 1.00 50.44 N ATOM 136 CA GLN A 11 18.239 14.497 2.477 1.00 74.04 C ATOM 137 C GLN A 11 17.001 15.078 3.071 1.00 12.42 C ATOM 138 O GLN A 11 16.390 14.465 3.942 1.00 0.23 O ATOM 139 CB GLN A 11 17.896 13.532 1.334 1.00 3.34 C ATOM 140 CG GLN A 11 19.097 13.124 0.485 1.00 75.44 C ATOM 141 CD GLN A 11 19.617 14.278 -0.356 1.00 4.40 C ATOM 142 OE1 GLN A 11 18.850 15.154 -0.765 1.00 33.42 O ATOM 143 NE2 GLN A 11 20.897 14.295 -0.632 1.00 53.32 N ATOM 0 H GLN A 11 18.657 12.830 3.635 1.00 50.44 H new ATOM 0 HA GLN A 11 18.860 15.289 2.059 1.00 74.04 H new ATOM 0 HB2 GLN A 11 17.439 12.636 1.754 1.00 3.34 H new ATOM 0 HB3 GLN A 11 17.150 13.998 0.690 1.00 3.34 H new ATOM 0 HG2 GLN A 11 19.894 12.761 1.134 1.00 75.44 H new ATOM 0 HG3 GLN A 11 18.816 12.297 -0.168 1.00 75.44 H new ATOM 0 HE21 GLN A 11 21.505 13.556 -0.279 1.00 53.32 H new ATOM 0 HE22 GLN A 11 21.286 15.047 -1.200 1.00 53.32 H new ATOM 152 N VAL A 12 16.628 16.228 2.625 1.00 33.51 N ATOM 153 CA VAL A 12 15.552 16.949 3.233 1.00 1.51 C ATOM 154 C VAL A 12 14.330 16.935 2.339 1.00 72.24 C ATOM 155 O VAL A 12 14.427 17.058 1.111 1.00 61.24 O ATOM 156 CB VAL A 12 15.970 18.426 3.525 1.00 2.20 C ATOM 157 CG1 VAL A 12 14.890 19.179 4.288 1.00 22.05 C ATOM 158 CG2 VAL A 12 17.288 18.482 4.281 1.00 10.41 C ATOM 0 H VAL A 12 17.057 16.699 1.829 1.00 33.51 H new ATOM 0 HA VAL A 12 15.310 16.457 4.175 1.00 1.51 H new ATOM 0 HB VAL A 12 16.101 18.917 2.561 1.00 2.20 H new ATOM 0 HG11 VAL A 12 15.220 20.202 4.471 1.00 22.05 H new ATOM 0 HG12 VAL A 12 13.972 19.193 3.700 1.00 22.05 H new ATOM 0 HG13 VAL A 12 14.703 18.682 5.240 1.00 22.05 H new ATOM 0 HG21 VAL A 12 17.555 19.522 4.471 1.00 10.41 H new ATOM 0 HG22 VAL A 12 17.186 17.955 5.229 1.00 10.41 H new ATOM 0 HG23 VAL A 12 18.069 18.010 3.685 1.00 10.41 H new ATOM 168 N GLU A 13 13.206 16.730 2.962 1.00 53.53 N ATOM 169 CA GLU A 13 11.929 16.764 2.342 1.00 61.45 C ATOM 170 C GLU A 13 10.984 17.241 3.414 1.00 72.43 C ATOM 171 O GLU A 13 11.279 17.077 4.607 1.00 52.34 O ATOM 172 CB GLU A 13 11.531 15.381 1.785 1.00 43.01 C ATOM 173 CG GLU A 13 10.182 15.343 1.065 1.00 51.43 C ATOM 174 CD GLU A 13 10.058 16.402 -0.010 1.00 62.40 C ATOM 175 OE1 GLU A 13 9.600 17.535 0.302 1.00 65.43 O ATOM 176 OE2 GLU A 13 10.417 16.136 -1.173 1.00 54.10 O ATOM 0 H GLU A 13 13.161 16.526 3.960 1.00 53.53 H new ATOM 0 HA GLU A 13 11.913 17.427 1.477 1.00 61.45 H new ATOM 0 HB2 GLU A 13 12.305 15.047 1.094 1.00 43.01 H new ATOM 0 HB3 GLU A 13 11.508 14.667 2.608 1.00 43.01 H new ATOM 0 HG2 GLU A 13 10.043 14.359 0.617 1.00 51.43 H new ATOM 0 HG3 GLU A 13 9.383 15.477 1.794 1.00 51.43 H new ATOM 183 N THR A 14 9.901 17.803 3.021 1.00 30.25 N ATOM 184 CA THR A 14 9.001 18.444 3.918 1.00 23.13 C ATOM 185 C THR A 14 8.241 17.457 4.829 1.00 11.13 C ATOM 186 O THR A 14 7.414 16.671 4.360 1.00 13.23 O ATOM 187 CB THR A 14 7.980 19.266 3.104 1.00 45.34 C ATOM 188 OG1 THR A 14 8.685 20.068 2.115 1.00 14.41 O ATOM 189 CG2 THR A 14 7.178 20.185 4.021 1.00 34.14 C ATOM 0 H THR A 14 9.605 17.833 2.045 1.00 30.25 H new ATOM 0 HA THR A 14 9.599 19.082 4.568 1.00 23.13 H new ATOM 0 HB THR A 14 7.294 18.580 2.608 1.00 45.34 H new ATOM 0 HG1 THR A 14 8.038 20.590 1.596 1.00 14.41 H new ATOM 0 HG21 THR A 14 6.463 20.756 3.429 1.00 34.14 H new ATOM 0 HG22 THR A 14 6.642 19.586 4.758 1.00 34.14 H new ATOM 0 HG23 THR A 14 7.855 20.869 4.532 1.00 34.14 H new HETATM 197 N TPO A 15 8.568 17.462 6.109 1.00 54.51 N HETATM 198 CA TPO A 15 7.727 16.804 7.064 1.00 34.34 C HETATM 199 CB TPO A 15 8.501 15.910 8.073 1.00 44.01 C HETATM 200 CG2 TPO A 15 7.557 15.356 9.127 1.00 11.45 C HETATM 201 OG1 TPO A 15 9.104 14.779 7.417 1.00 60.44 O HETATM 202 P TPO A 15 10.218 13.806 8.087 1.00 42.15 P HETATM 203 O1P TPO A 15 11.406 14.627 8.563 1.00 4.15 O HETATM 204 O2P TPO A 15 10.748 12.836 7.059 1.00 22.12 O HETATM 205 O3P TPO A 15 9.621 13.009 9.257 1.00 42.44 O HETATM 206 C TPO A 15 6.996 17.870 7.851 1.00 60.54 C HETATM 207 O TPO A 15 7.600 18.696 8.526 1.00 3.14 O HETATM 0 HG23 TPO A 15 7.092 16.180 9.669 1.00 11.45 H new HETATM 0 HG22 TPO A 15 6.784 14.757 8.645 1.00 11.45 H new HETATM 0 HG21 TPO A 15 8.116 14.733 9.825 1.00 11.45 H new HETATM 0 HB TPO A 15 9.268 16.540 8.523 1.00 44.01 H new HETATM 0 HA TPO A 15 7.058 16.150 6.505 1.00 34.34 H new HETATM 0 H TPO A 15 9.578 17.320 6.135 1.00 54.51 H new ATOM 214 N SER A 16 5.724 17.888 7.710 1.00 15.44 N ATOM 215 CA SER A 16 4.867 18.717 8.481 1.00 63.33 C ATOM 216 C SER A 16 3.720 17.853 8.882 1.00 30.50 C ATOM 217 O SER A 16 3.394 16.928 8.135 1.00 23.43 O ATOM 218 CB SER A 16 4.383 19.892 7.640 1.00 21.31 C ATOM 219 OG SER A 16 5.486 20.657 7.147 1.00 11.43 O ATOM 0 H SER A 16 5.230 17.307 7.032 1.00 15.44 H new ATOM 0 HA SER A 16 5.376 19.130 9.351 1.00 63.33 H new ATOM 0 HB2 SER A 16 3.788 19.525 6.804 1.00 21.31 H new ATOM 0 HB3 SER A 16 3.732 20.529 8.239 1.00 21.31 H new ATOM 0 HG SER A 16 5.151 21.405 6.609 1.00 11.43 H new ATOM 225 N VAL A 17 3.140 18.072 10.022 1.00 33.24 N ATOM 226 CA VAL A 17 1.988 17.307 10.363 1.00 1.44 C ATOM 227 C VAL A 17 0.782 18.053 9.851 1.00 0.03 C ATOM 228 O VAL A 17 0.483 19.165 10.300 1.00 41.31 O ATOM 229 CB VAL A 17 1.867 17.098 11.897 1.00 54.12 C ATOM 230 CG1 VAL A 17 0.662 16.226 12.240 1.00 12.45 C ATOM 231 CG2 VAL A 17 3.145 16.494 12.464 1.00 11.14 C ATOM 0 H VAL A 17 3.438 18.758 10.715 1.00 33.24 H new ATOM 0 HA VAL A 17 2.064 16.318 9.912 1.00 1.44 H new ATOM 0 HB VAL A 17 1.717 18.075 12.355 1.00 54.12 H new ATOM 0 HG11 VAL A 17 0.602 16.097 13.321 1.00 12.45 H new ATOM 0 HG12 VAL A 17 -0.248 16.706 11.881 1.00 12.45 H new ATOM 0 HG13 VAL A 17 0.770 15.252 11.763 1.00 12.45 H new ATOM 0 HG21 VAL A 17 3.036 16.357 13.540 1.00 11.14 H new ATOM 0 HG22 VAL A 17 3.332 15.529 11.992 1.00 11.14 H new ATOM 0 HG23 VAL A 17 3.983 17.163 12.266 1.00 11.14 H new ATOM 241 N PHE A 18 0.139 17.481 8.886 1.00 12.00 N ATOM 242 CA PHE A 18 -1.057 18.024 8.336 1.00 24.53 C ATOM 243 C PHE A 18 -2.141 16.989 8.385 1.00 74.15 C ATOM 244 O PHE A 18 -1.874 15.793 8.217 1.00 21.44 O ATOM 245 CB PHE A 18 -0.861 18.614 6.916 1.00 71.02 C ATOM 246 CG PHE A 18 -0.451 17.644 5.836 1.00 61.45 C ATOM 247 CD1 PHE A 18 0.887 17.372 5.597 1.00 30.43 C ATOM 248 CD2 PHE A 18 -1.409 17.023 5.045 1.00 64.20 C ATOM 249 CE1 PHE A 18 1.258 16.500 4.596 1.00 43.14 C ATOM 250 CE2 PHE A 18 -1.043 16.153 4.041 1.00 13.33 C ATOM 251 CZ PHE A 18 0.291 15.891 3.816 1.00 14.31 C ATOM 0 H PHE A 18 0.437 16.608 8.451 1.00 12.00 H new ATOM 0 HA PHE A 18 -1.357 18.875 8.948 1.00 24.53 H new ATOM 0 HB2 PHE A 18 -1.794 19.089 6.612 1.00 71.02 H new ATOM 0 HB3 PHE A 18 -0.107 19.399 6.974 1.00 71.02 H new ATOM 0 HD1 PHE A 18 1.646 17.848 6.201 1.00 30.43 H new ATOM 0 HD2 PHE A 18 -2.456 17.225 5.219 1.00 64.20 H new ATOM 0 HE1 PHE A 18 2.303 16.292 4.421 1.00 43.14 H new ATOM 0 HE2 PHE A 18 -1.799 15.678 3.433 1.00 13.33 H new ATOM 0 HZ PHE A 18 0.582 15.210 3.030 1.00 14.31 H new ATOM 261 N ARG A 19 -3.328 17.405 8.678 1.00 2.13 N ATOM 262 CA ARG A 19 -4.433 16.501 8.697 1.00 61.22 C ATOM 263 C ARG A 19 -4.898 16.329 7.248 1.00 31.22 C ATOM 264 O ARG A 19 -5.349 17.282 6.616 1.00 62.33 O ATOM 265 CB ARG A 19 -5.513 17.053 9.613 1.00 14.32 C ATOM 266 CG ARG A 19 -6.615 16.089 9.963 1.00 13.23 C ATOM 267 CD ARG A 19 -7.408 16.633 11.131 1.00 55.43 C ATOM 268 NE ARG A 19 -8.448 15.719 11.583 1.00 31.24 N ATOM 269 CZ ARG A 19 -8.462 15.102 12.775 1.00 35.41 C ATOM 270 NH1 ARG A 19 -7.382 15.117 13.569 1.00 72.02 N ATOM 271 NH2 ARG A 19 -9.544 14.448 13.154 1.00 31.21 N ATOM 0 H ARG A 19 -3.560 18.371 8.909 1.00 2.13 H new ATOM 0 HA ARG A 19 -4.167 15.521 9.093 1.00 61.22 H new ATOM 0 HB2 ARG A 19 -5.044 17.394 10.536 1.00 14.32 H new ATOM 0 HB3 ARG A 19 -5.956 17.929 9.139 1.00 14.32 H new ATOM 0 HG2 ARG A 19 -7.269 15.940 9.104 1.00 13.23 H new ATOM 0 HG3 ARG A 19 -6.195 15.116 10.217 1.00 13.23 H new ATOM 0 HD2 ARG A 19 -6.730 16.842 11.958 1.00 55.43 H new ATOM 0 HD3 ARG A 19 -7.863 17.581 10.845 1.00 55.43 H new ATOM 0 HE ARG A 19 -9.223 15.534 10.946 1.00 31.24 H new ATOM 0 HH11 ARG A 19 -6.536 15.601 13.270 1.00 72.02 H new ATOM 0 HH12 ARG A 19 -7.407 14.644 14.472 1.00 72.02 H new ATOM 0 HH21 ARG A 19 -10.360 14.415 12.543 1.00 31.21 H new ATOM 0 HH22 ARG A 19 -9.564 13.976 14.058 1.00 31.21 H new ATOM 285 N ALA A 20 -4.711 15.132 6.736 1.00 43.42 N ATOM 286 CA ALA A 20 -4.910 14.788 5.322 1.00 64.45 C ATOM 287 C ALA A 20 -6.353 14.912 4.813 1.00 72.33 C ATOM 288 O ALA A 20 -7.257 15.418 5.497 1.00 51.44 O ATOM 289 CB ALA A 20 -4.400 13.378 5.075 1.00 24.32 C ATOM 0 H ALA A 20 -4.407 14.338 7.300 1.00 43.42 H new ATOM 0 HA ALA A 20 -4.344 15.528 4.756 1.00 64.45 H new ATOM 0 HB1 ALA A 20 -4.545 13.117 4.027 1.00 24.32 H new ATOM 0 HB2 ALA A 20 -3.339 13.327 5.318 1.00 24.32 H new ATOM 0 HB3 ALA A 20 -4.950 12.677 5.703 1.00 24.32 H new ATOM 295 N ASP A 21 -6.548 14.365 3.607 1.00 21.01 N ATOM 296 CA ASP A 21 -7.806 14.367 2.838 1.00 12.23 C ATOM 297 C ASP A 21 -8.886 13.484 3.512 1.00 45.23 C ATOM 298 O ASP A 21 -10.033 13.383 3.049 1.00 70.11 O ATOM 299 CB ASP A 21 -7.484 13.852 1.427 1.00 54.31 C ATOM 300 CG ASP A 21 -8.622 13.961 0.448 1.00 23.21 C ATOM 301 OD1 ASP A 21 -8.849 15.066 -0.086 1.00 65.21 O ATOM 302 OD2 ASP A 21 -9.257 12.939 0.144 1.00 3.13 O ATOM 0 H ASP A 21 -5.797 13.884 3.113 1.00 21.01 H new ATOM 0 HA ASP A 21 -8.214 15.377 2.796 1.00 12.23 H new ATOM 0 HB2 ASP A 21 -6.631 14.408 1.037 1.00 54.31 H new ATOM 0 HB3 ASP A 21 -7.179 12.808 1.496 1.00 54.31 H new ATOM 307 N LEU A 22 -8.523 12.945 4.661 1.00 54.33 N ATOM 308 CA LEU A 22 -9.343 12.065 5.476 1.00 32.12 C ATOM 309 C LEU A 22 -10.685 12.701 5.881 1.00 33.23 C ATOM 310 O LEU A 22 -11.641 11.995 6.179 1.00 5.44 O ATOM 311 CB LEU A 22 -8.513 11.589 6.701 1.00 51.53 C ATOM 312 CG LEU A 22 -7.852 12.676 7.596 1.00 54.33 C ATOM 313 CD1 LEU A 22 -8.851 13.355 8.525 1.00 61.34 C ATOM 314 CD2 LEU A 22 -6.685 12.100 8.382 1.00 60.51 C ATOM 0 H LEU A 22 -7.605 13.116 5.072 1.00 54.33 H new ATOM 0 HA LEU A 22 -9.619 11.196 4.878 1.00 32.12 H new ATOM 0 HB2 LEU A 22 -9.165 10.986 7.333 1.00 51.53 H new ATOM 0 HB3 LEU A 22 -7.725 10.931 6.336 1.00 51.53 H new ATOM 0 HG LEU A 22 -7.471 13.446 6.925 1.00 54.33 H new ATOM 0 HD11 LEU A 22 -8.337 14.104 9.127 1.00 61.34 H new ATOM 0 HD12 LEU A 22 -9.629 13.836 7.933 1.00 61.34 H new ATOM 0 HD13 LEU A 22 -9.302 12.610 9.181 1.00 61.34 H new ATOM 0 HD21 LEU A 22 -6.241 12.881 8.999 1.00 60.51 H new ATOM 0 HD22 LEU A 22 -7.040 11.291 9.020 1.00 60.51 H new ATOM 0 HD23 LEU A 22 -5.936 11.714 7.691 1.00 60.51 H new ATOM 326 N LEU A 23 -10.755 14.036 5.841 1.00 52.11 N ATOM 327 CA LEU A 23 -11.961 14.758 6.180 1.00 73.44 C ATOM 328 C LEU A 23 -13.093 14.429 5.197 1.00 3.14 C ATOM 329 O LEU A 23 -14.258 14.356 5.585 1.00 41.30 O ATOM 330 CB LEU A 23 -11.721 16.292 6.251 1.00 24.14 C ATOM 331 CG LEU A 23 -11.505 17.091 4.935 1.00 33.42 C ATOM 332 CD1 LEU A 23 -11.492 18.580 5.228 1.00 71.11 C ATOM 333 CD2 LEU A 23 -10.213 16.708 4.234 1.00 20.11 C ATOM 0 H LEU A 23 -9.974 14.634 5.572 1.00 52.11 H new ATOM 0 HA LEU A 23 -12.262 14.430 7.175 1.00 73.44 H new ATOM 0 HB2 LEU A 23 -12.574 16.733 6.766 1.00 24.14 H new ATOM 0 HB3 LEU A 23 -10.848 16.458 6.882 1.00 24.14 H new ATOM 0 HG LEU A 23 -12.333 16.844 4.270 1.00 33.42 H new ATOM 0 HD11 LEU A 23 -11.340 19.132 4.300 1.00 71.11 H new ATOM 0 HD12 LEU A 23 -12.444 18.872 5.672 1.00 71.11 H new ATOM 0 HD13 LEU A 23 -10.683 18.807 5.922 1.00 71.11 H new ATOM 0 HD21 LEU A 23 -10.107 17.293 3.320 1.00 20.11 H new ATOM 0 HD22 LEU A 23 -9.368 16.909 4.893 1.00 20.11 H new ATOM 0 HD23 LEU A 23 -10.235 15.647 3.985 1.00 20.11 H new ATOM 345 N LYS A 24 -12.742 14.209 3.942 1.00 54.33 N ATOM 346 CA LYS A 24 -13.714 13.846 2.927 1.00 12.23 C ATOM 347 C LYS A 24 -13.692 12.344 2.734 1.00 4.32 C ATOM 348 O LYS A 24 -14.735 11.692 2.613 1.00 74.11 O ATOM 349 CB LYS A 24 -13.377 14.500 1.578 1.00 54.42 C ATOM 350 CG LYS A 24 -13.388 16.027 1.549 1.00 33.42 C ATOM 351 CD LYS A 24 -13.061 16.559 0.146 1.00 23.22 C ATOM 352 CE LYS A 24 -11.634 16.211 -0.275 1.00 72.24 C ATOM 353 NZ LYS A 24 -11.329 16.598 -1.674 1.00 30.10 N ATOM 0 H LYS A 24 -11.783 14.276 3.600 1.00 54.33 H new ATOM 0 HA LYS A 24 -14.694 14.189 3.259 1.00 12.23 H new ATOM 0 HB2 LYS A 24 -12.389 14.158 1.269 1.00 54.42 H new ATOM 0 HB3 LYS A 24 -14.087 14.138 0.834 1.00 54.42 H new ATOM 0 HG2 LYS A 24 -14.367 16.392 1.860 1.00 33.42 H new ATOM 0 HG3 LYS A 24 -12.662 16.412 2.265 1.00 33.42 H new ATOM 0 HD2 LYS A 24 -13.764 16.141 -0.574 1.00 23.22 H new ATOM 0 HD3 LYS A 24 -13.192 17.641 0.128 1.00 23.22 H new ATOM 0 HE2 LYS A 24 -10.933 16.709 0.394 1.00 72.24 H new ATOM 0 HE3 LYS A 24 -11.479 15.138 -0.159 1.00 72.24 H new ATOM 0 HZ1 LYS A 24 -10.348 16.337 -1.901 1.00 30.10 H new ATOM 0 HZ2 LYS A 24 -11.977 16.104 -2.320 1.00 30.10 H new ATOM 0 HZ3 LYS A 24 -11.448 17.625 -1.784 1.00 30.10 H new ATOM 367 N GLU A 25 -12.490 11.813 2.753 1.00 71.52 N ATOM 368 CA GLU A 25 -12.210 10.432 2.437 1.00 11.12 C ATOM 369 C GLU A 25 -12.809 9.428 3.435 1.00 64.43 C ATOM 370 O GLU A 25 -13.079 8.312 3.057 1.00 3.21 O ATOM 371 CB GLU A 25 -10.687 10.250 2.319 1.00 34.04 C ATOM 372 CG GLU A 25 -10.233 8.900 1.805 1.00 53.33 C ATOM 373 CD GLU A 25 -10.821 8.580 0.463 1.00 74.31 C ATOM 374 OE1 GLU A 25 -10.418 9.201 -0.543 1.00 41.10 O ATOM 375 OE2 GLU A 25 -11.685 7.703 0.382 1.00 5.40 O ATOM 0 H GLU A 25 -11.656 12.347 2.996 1.00 71.52 H new ATOM 0 HA GLU A 25 -12.698 10.210 1.488 1.00 11.12 H new ATOM 0 HB2 GLU A 25 -10.296 11.022 1.657 1.00 34.04 H new ATOM 0 HB3 GLU A 25 -10.241 10.415 3.300 1.00 34.04 H new ATOM 0 HG2 GLU A 25 -9.145 8.886 1.736 1.00 53.33 H new ATOM 0 HG3 GLU A 25 -10.517 8.127 2.519 1.00 53.33 H new ATOM 382 N MET A 26 -13.057 9.830 4.683 1.00 30.23 N ATOM 383 CA MET A 26 -13.528 8.873 5.713 1.00 14.21 C ATOM 384 C MET A 26 -14.803 8.127 5.271 1.00 44.43 C ATOM 385 O MET A 26 -14.832 6.893 5.288 1.00 12.22 O ATOM 386 CB MET A 26 -13.735 9.573 7.076 1.00 43.42 C ATOM 387 CG MET A 26 -13.921 8.633 8.295 1.00 23.33 C ATOM 388 SD MET A 26 -15.481 7.700 8.337 1.00 43.34 S ATOM 389 CE MET A 26 -16.669 9.029 8.522 1.00 54.14 C ATOM 0 H MET A 26 -12.946 10.789 5.011 1.00 30.23 H new ATOM 0 HA MET A 26 -12.745 8.125 5.835 1.00 14.21 H new ATOM 0 HB2 MET A 26 -12.877 10.218 7.266 1.00 43.42 H new ATOM 0 HB3 MET A 26 -14.610 10.219 7.002 1.00 43.42 H new ATOM 0 HG2 MET A 26 -13.094 7.924 8.314 1.00 23.33 H new ATOM 0 HG3 MET A 26 -13.850 9.229 9.205 1.00 23.33 H new ATOM 0 HE1 MET A 26 -17.667 8.610 8.652 1.00 54.14 H new ATOM 0 HE2 MET A 26 -16.411 9.629 9.395 1.00 54.14 H new ATOM 0 HE3 MET A 26 -16.653 9.658 7.632 1.00 54.14 H new ATOM 399 N GLU A 27 -15.814 8.854 4.817 1.00 63.05 N ATOM 400 CA GLU A 27 -17.062 8.225 4.366 1.00 40.31 C ATOM 401 C GLU A 27 -16.849 7.479 3.058 1.00 54.41 C ATOM 402 O GLU A 27 -17.472 6.445 2.805 1.00 45.22 O ATOM 403 CB GLU A 27 -18.207 9.236 4.181 1.00 42.34 C ATOM 404 CG GLU A 27 -18.499 10.125 5.378 1.00 22.41 C ATOM 405 CD GLU A 27 -17.619 11.347 5.426 1.00 61.25 C ATOM 406 OE1 GLU A 27 -16.480 11.270 5.876 1.00 44.43 O ATOM 407 OE2 GLU A 27 -18.077 12.423 4.986 1.00 64.52 O ATOM 0 H GLU A 27 -15.802 9.872 4.749 1.00 63.05 H new ATOM 0 HA GLU A 27 -17.350 7.529 5.154 1.00 40.31 H new ATOM 0 HB2 GLU A 27 -17.971 9.872 3.328 1.00 42.34 H new ATOM 0 HB3 GLU A 27 -19.115 8.688 3.929 1.00 42.34 H new ATOM 0 HG2 GLU A 27 -19.543 10.436 5.348 1.00 22.41 H new ATOM 0 HG3 GLU A 27 -18.364 9.549 6.294 1.00 22.41 H new ATOM 414 N SER A 28 -15.949 7.991 2.252 1.00 12.03 N ATOM 415 CA SER A 28 -15.648 7.418 0.967 1.00 51.53 C ATOM 416 C SER A 28 -14.873 6.094 1.127 1.00 42.01 C ATOM 417 O SER A 28 -14.932 5.214 0.264 1.00 74.05 O ATOM 418 CB SER A 28 -14.849 8.434 0.164 1.00 4.24 C ATOM 419 OG SER A 28 -15.527 9.693 0.130 1.00 35.42 O ATOM 0 H SER A 28 -15.402 8.823 2.474 1.00 12.03 H new ATOM 0 HA SER A 28 -16.572 7.184 0.438 1.00 51.53 H new ATOM 0 HB2 SER A 28 -13.860 8.559 0.606 1.00 4.24 H new ATOM 0 HB3 SER A 28 -14.700 8.067 -0.852 1.00 4.24 H new ATOM 0 HG SER A 28 -15.235 10.242 0.887 1.00 35.42 H new ATOM 425 N SER A 29 -14.166 5.968 2.225 1.00 22.35 N ATOM 426 CA SER A 29 -13.437 4.769 2.526 1.00 45.42 C ATOM 427 C SER A 29 -14.315 3.787 3.307 1.00 41.31 C ATOM 428 O SER A 29 -14.276 2.584 3.071 1.00 1.45 O ATOM 429 CB SER A 29 -12.217 5.109 3.363 1.00 4.45 C ATOM 430 OG SER A 29 -11.410 6.084 2.753 1.00 62.43 O ATOM 0 H SER A 29 -14.083 6.698 2.933 1.00 22.35 H new ATOM 0 HA SER A 29 -13.131 4.308 1.587 1.00 45.42 H new ATOM 0 HB2 SER A 29 -12.538 5.466 4.342 1.00 4.45 H new ATOM 0 HB3 SER A 29 -11.630 4.206 3.530 1.00 4.45 H new ATOM 0 HG SER A 29 -11.894 6.935 2.720 1.00 62.43 H new ATOM 436 N THR A 30 -15.097 4.303 4.242 1.00 22.45 N ATOM 437 CA THR A 30 -15.922 3.473 5.090 1.00 61.20 C ATOM 438 C THR A 30 -17.165 2.935 4.355 1.00 15.54 C ATOM 439 O THR A 30 -18.244 3.554 4.357 1.00 4.52 O ATOM 440 CB THR A 30 -16.322 4.216 6.394 1.00 11.52 C ATOM 441 OG1 THR A 30 -15.130 4.664 7.065 1.00 41.43 O ATOM 442 CG2 THR A 30 -17.110 3.302 7.335 1.00 13.31 C ATOM 0 H THR A 30 -15.174 5.303 4.430 1.00 22.45 H new ATOM 0 HA THR A 30 -15.317 2.609 5.365 1.00 61.20 H new ATOM 0 HB THR A 30 -16.954 5.063 6.126 1.00 11.52 H new ATOM 0 HG1 THR A 30 -15.275 5.564 7.424 1.00 41.43 H new ATOM 0 HG21 THR A 30 -17.375 3.851 8.238 1.00 13.31 H new ATOM 0 HG22 THR A 30 -18.018 2.963 6.837 1.00 13.31 H new ATOM 0 HG23 THR A 30 -16.499 2.440 7.601 1.00 13.31 H new ATOM 450 N GLY A 31 -16.973 1.832 3.668 1.00 53.30 N ATOM 451 CA GLY A 31 -18.062 1.147 3.013 1.00 0.43 C ATOM 452 C GLY A 31 -17.566 -0.038 2.228 1.00 51.22 C ATOM 453 O GLY A 31 -18.201 -0.465 1.255 1.00 13.23 O ATOM 0 H GLY A 31 -16.063 1.387 3.548 1.00 53.30 H new ATOM 0 HA2 GLY A 31 -18.787 0.816 3.757 1.00 0.43 H new ATOM 0 HA3 GLY A 31 -18.581 1.836 2.347 1.00 0.43 H new ATOM 457 N THR A 32 -16.447 -0.569 2.656 1.00 73.33 N ATOM 458 CA THR A 32 -15.792 -1.665 2.001 1.00 33.54 C ATOM 459 C THR A 32 -16.410 -2.987 2.459 1.00 71.12 C ATOM 460 O THR A 32 -16.496 -3.250 3.664 1.00 3.42 O ATOM 461 CB THR A 32 -14.312 -1.668 2.422 1.00 15.15 C ATOM 462 OG1 THR A 32 -13.887 -0.306 2.609 1.00 53.10 O ATOM 463 CG2 THR A 32 -13.441 -2.330 1.359 1.00 73.34 C ATOM 0 H THR A 32 -15.958 -0.241 3.489 1.00 73.33 H new ATOM 0 HA THR A 32 -15.898 -1.557 0.922 1.00 33.54 H new ATOM 0 HB THR A 32 -14.207 -2.234 3.347 1.00 15.15 H new ATOM 0 HG1 THR A 32 -13.130 -0.115 2.016 1.00 53.10 H new ATOM 0 HG21 THR A 32 -12.400 -2.318 1.682 1.00 73.34 H new ATOM 0 HG22 THR A 32 -13.764 -3.361 1.214 1.00 73.34 H new ATOM 0 HG23 THR A 32 -13.535 -1.785 0.420 1.00 73.34 H new ATOM 471 N ALA A 33 -16.880 -3.775 1.530 1.00 31.11 N ATOM 472 CA ALA A 33 -17.345 -5.098 1.844 1.00 25.24 C ATOM 473 C ALA A 33 -16.109 -5.972 1.929 1.00 72.30 C ATOM 474 O ALA A 33 -15.323 -5.995 0.967 1.00 31.42 O ATOM 475 CB ALA A 33 -18.286 -5.603 0.755 1.00 65.43 C ATOM 0 H ALA A 33 -16.951 -3.522 0.545 1.00 31.11 H new ATOM 0 HA ALA A 33 -17.903 -5.112 2.780 1.00 25.24 H new ATOM 0 HB1 ALA A 33 -18.630 -6.606 1.007 1.00 65.43 H new ATOM 0 HB2 ALA A 33 -19.144 -4.935 0.677 1.00 65.43 H new ATOM 0 HB3 ALA A 33 -17.758 -5.629 -0.198 1.00 65.43 H new ATOM 481 N PRO A 34 -15.882 -6.674 3.060 1.00 61.21 N ATOM 482 CA PRO A 34 -14.657 -7.459 3.254 1.00 2.13 C ATOM 483 C PRO A 34 -14.461 -8.489 2.149 1.00 70.54 C ATOM 484 O PRO A 34 -15.430 -9.108 1.657 1.00 62.21 O ATOM 485 CB PRO A 34 -14.889 -8.161 4.593 1.00 14.32 C ATOM 486 CG PRO A 34 -15.871 -7.299 5.304 1.00 25.03 C ATOM 487 CD PRO A 34 -16.767 -6.735 4.240 1.00 63.32 C ATOM 0 HA PRO A 34 -13.764 -6.834 3.235 1.00 2.13 H new ATOM 0 HB2 PRO A 34 -15.277 -9.169 4.450 1.00 14.32 H new ATOM 0 HB3 PRO A 34 -13.961 -8.254 5.158 1.00 14.32 H new ATOM 0 HG2 PRO A 34 -16.443 -7.876 6.031 1.00 25.03 H new ATOM 0 HG3 PRO A 34 -15.367 -6.503 5.853 1.00 25.03 H new ATOM 0 HD2 PRO A 34 -17.633 -7.372 4.062 1.00 63.32 H new ATOM 0 HD3 PRO A 34 -17.146 -5.750 4.512 1.00 63.32 H new ATOM 495 N ALA A 35 -13.227 -8.655 1.760 1.00 21.11 N ATOM 496 CA ALA A 35 -12.867 -9.518 0.679 1.00 43.40 C ATOM 497 C ALA A 35 -11.715 -10.373 1.088 1.00 15.42 C ATOM 498 O ALA A 35 -10.808 -9.903 1.787 1.00 51.14 O ATOM 499 CB ALA A 35 -12.494 -8.700 -0.544 1.00 14.15 C ATOM 0 H ALA A 35 -12.433 -8.185 2.195 1.00 21.11 H new ATOM 0 HA ALA A 35 -13.718 -10.151 0.429 1.00 43.40 H new ATOM 0 HB1 ALA A 35 -12.222 -9.369 -1.360 1.00 14.15 H new ATOM 0 HB2 ALA A 35 -13.344 -8.087 -0.845 1.00 14.15 H new ATOM 0 HB3 ALA A 35 -11.648 -8.055 -0.306 1.00 14.15 H new ATOM 505 N SER A 36 -11.736 -11.594 0.679 1.00 32.01 N ATOM 506 CA SER A 36 -10.683 -12.479 0.974 1.00 53.14 C ATOM 507 C SER A 36 -10.403 -13.366 -0.221 1.00 73.42 C ATOM 508 O SER A 36 -11.227 -14.182 -0.622 1.00 12.12 O ATOM 509 CB SER A 36 -10.994 -13.311 2.230 1.00 34.21 C ATOM 510 OG SER A 36 -9.915 -14.186 2.551 1.00 60.03 O ATOM 0 H SER A 36 -12.492 -12.001 0.128 1.00 32.01 H new ATOM 0 HA SER A 36 -9.787 -11.897 1.187 1.00 53.14 H new ATOM 0 HB2 SER A 36 -11.188 -12.645 3.071 1.00 34.21 H new ATOM 0 HB3 SER A 36 -11.901 -13.893 2.068 1.00 34.21 H new ATOM 0 HG SER A 36 -10.198 -14.811 3.251 1.00 60.03 H new ATOM 516 N THR A 37 -9.262 -13.163 -0.805 1.00 73.45 N ATOM 517 CA THR A 37 -8.759 -13.974 -1.891 1.00 44.43 C ATOM 518 C THR A 37 -7.898 -15.094 -1.249 1.00 71.21 C ATOM 519 O THR A 37 -6.896 -15.531 -1.796 1.00 14.34 O ATOM 520 CB THR A 37 -7.856 -13.058 -2.742 1.00 20.45 C ATOM 521 OG1 THR A 37 -8.390 -11.710 -2.675 1.00 50.13 O ATOM 522 CG2 THR A 37 -7.838 -13.511 -4.200 1.00 30.32 C ATOM 0 H THR A 37 -8.630 -12.408 -0.537 1.00 73.45 H new ATOM 0 HA THR A 37 -9.550 -14.406 -2.503 1.00 44.43 H new ATOM 0 HB THR A 37 -6.838 -13.099 -2.356 1.00 20.45 H new ATOM 0 HG1 THR A 37 -7.829 -11.109 -3.209 1.00 50.13 H new ATOM 0 HG21 THR A 37 -7.194 -12.849 -4.779 1.00 30.32 H new ATOM 0 HG22 THR A 37 -7.457 -14.531 -4.260 1.00 30.32 H new ATOM 0 HG23 THR A 37 -8.850 -13.478 -4.604 1.00 30.32 H new ATOM 530 N GLY A 38 -8.351 -15.569 -0.083 1.00 31.50 N ATOM 531 CA GLY A 38 -7.547 -16.442 0.737 1.00 12.10 C ATOM 532 C GLY A 38 -6.689 -15.569 1.613 1.00 64.25 C ATOM 533 O GLY A 38 -5.647 -15.973 2.124 1.00 73.33 O ATOM 0 H GLY A 38 -9.271 -15.356 0.302 1.00 31.50 H new ATOM 0 HA2 GLY A 38 -8.180 -17.091 1.343 1.00 12.10 H new ATOM 0 HA3 GLY A 38 -6.928 -17.090 0.116 1.00 12.10 H new ATOM 537 N ALA A 39 -7.203 -14.372 1.837 1.00 0.12 N ATOM 538 CA ALA A 39 -6.478 -13.294 2.433 1.00 65.32 C ATOM 539 C ALA A 39 -6.228 -13.477 3.908 1.00 4.10 C ATOM 540 O ALA A 39 -5.099 -13.344 4.353 1.00 64.10 O ATOM 541 CB ALA A 39 -7.168 -11.969 2.154 1.00 53.51 C ATOM 0 H ALA A 39 -8.164 -14.130 1.598 1.00 0.12 H new ATOM 0 HA ALA A 39 -5.494 -13.289 1.965 1.00 65.32 H new ATOM 0 HB1 ALA A 39 -6.602 -11.160 2.615 1.00 53.51 H new ATOM 0 HB2 ALA A 39 -7.222 -11.806 1.078 1.00 53.51 H new ATOM 0 HB3 ALA A 39 -8.176 -11.989 2.569 1.00 53.51 H new ATOM 547 N GLU A 40 -7.248 -13.839 4.659 1.00 54.11 N ATOM 548 CA GLU A 40 -7.088 -13.960 6.108 1.00 14.14 C ATOM 549 C GLU A 40 -6.446 -15.293 6.490 1.00 1.03 C ATOM 550 O GLU A 40 -6.168 -15.564 7.658 1.00 0.55 O ATOM 551 CB GLU A 40 -8.407 -13.725 6.848 1.00 13.02 C ATOM 552 CG GLU A 40 -9.516 -14.698 6.517 1.00 20.33 C ATOM 553 CD GLU A 40 -10.772 -14.389 7.281 1.00 54.55 C ATOM 554 OE1 GLU A 40 -10.792 -14.579 8.522 1.00 55.53 O ATOM 555 OE2 GLU A 40 -11.770 -13.968 6.669 1.00 74.03 O ATOM 0 H GLU A 40 -8.181 -14.052 4.307 1.00 54.11 H new ATOM 0 HA GLU A 40 -6.405 -13.172 6.426 1.00 14.14 H new ATOM 0 HB2 GLU A 40 -8.216 -13.769 7.920 1.00 13.02 H new ATOM 0 HB3 GLU A 40 -8.754 -12.716 6.627 1.00 13.02 H new ATOM 0 HG2 GLU A 40 -9.723 -14.664 5.447 1.00 20.33 H new ATOM 0 HG3 GLU A 40 -9.191 -15.713 6.747 1.00 20.33 H new ATOM 562 N ASN A 41 -6.202 -16.096 5.483 1.00 72.02 N ATOM 563 CA ASN A 41 -5.545 -17.374 5.626 1.00 55.42 C ATOM 564 C ASN A 41 -4.044 -17.170 5.466 1.00 41.20 C ATOM 565 O ASN A 41 -3.230 -17.932 6.021 1.00 54.31 O ATOM 566 CB ASN A 41 -6.074 -18.346 4.546 1.00 71.12 C ATOM 567 CG ASN A 41 -5.371 -19.696 4.521 1.00 74.45 C ATOM 568 OD1 ASN A 41 -5.769 -20.632 5.208 1.00 52.42 O ATOM 569 ND2 ASN A 41 -4.356 -19.821 3.699 1.00 31.42 N ATOM 0 H ASN A 41 -6.460 -15.875 4.521 1.00 72.02 H new ATOM 0 HA ASN A 41 -5.750 -17.799 6.609 1.00 55.42 H new ATOM 0 HB2 ASN A 41 -7.140 -18.507 4.709 1.00 71.12 H new ATOM 0 HB3 ASN A 41 -5.969 -17.876 3.568 1.00 71.12 H new ATOM 0 HD21 ASN A 41 -3.873 -20.716 3.617 1.00 31.42 H new ATOM 0 HD22 ASN A 41 -4.050 -19.023 3.142 1.00 31.42 H new ATOM 576 N LEU A 42 -3.697 -16.095 4.737 1.00 1.20 N ATOM 577 CA LEU A 42 -2.320 -15.745 4.385 1.00 71.40 C ATOM 578 C LEU A 42 -1.632 -16.887 3.623 1.00 33.34 C ATOM 579 O LEU A 42 -0.969 -17.744 4.214 1.00 62.42 O ATOM 580 CB LEU A 42 -1.475 -15.279 5.599 1.00 44.13 C ATOM 581 CG LEU A 42 -1.756 -13.878 6.201 1.00 10.23 C ATOM 582 CD1 LEU A 42 -1.695 -12.785 5.143 1.00 22.30 C ATOM 583 CD2 LEU A 42 -3.067 -13.833 6.975 1.00 41.23 C ATOM 0 H LEU A 42 -4.384 -15.435 4.371 1.00 1.20 H new ATOM 0 HA LEU A 42 -2.386 -14.884 3.720 1.00 71.40 H new ATOM 0 HB2 LEU A 42 -1.604 -16.013 6.394 1.00 44.13 H new ATOM 0 HB3 LEU A 42 -0.426 -15.309 5.304 1.00 44.13 H new ATOM 0 HG LEU A 42 -0.959 -13.683 6.918 1.00 10.23 H new ATOM 0 HD11 LEU A 42 -1.897 -11.819 5.606 1.00 22.30 H new ATOM 0 HD12 LEU A 42 -0.703 -12.770 4.692 1.00 22.30 H new ATOM 0 HD13 LEU A 42 -2.441 -12.982 4.373 1.00 22.30 H new ATOM 0 HD21 LEU A 42 -3.218 -12.831 7.377 1.00 41.23 H new ATOM 0 HD22 LEU A 42 -3.892 -14.085 6.309 1.00 41.23 H new ATOM 0 HD23 LEU A 42 -3.031 -14.551 7.795 1.00 41.23 H new ATOM 595 N PRO A 43 -1.817 -16.933 2.297 1.00 31.21 N ATOM 596 CA PRO A 43 -1.296 -18.008 1.476 1.00 54.11 C ATOM 597 C PRO A 43 0.175 -17.830 1.068 1.00 41.40 C ATOM 598 O PRO A 43 1.061 -18.478 1.627 1.00 74.20 O ATOM 599 CB PRO A 43 -2.211 -18.000 0.257 1.00 61.51 C ATOM 600 CG PRO A 43 -2.765 -16.605 0.167 1.00 31.22 C ATOM 601 CD PRO A 43 -2.566 -15.941 1.504 1.00 32.02 C ATOM 0 HA PRO A 43 -1.293 -18.952 2.022 1.00 54.11 H new ATOM 0 HB2 PRO A 43 -1.660 -18.261 -0.647 1.00 61.51 H new ATOM 0 HB3 PRO A 43 -3.011 -18.732 0.365 1.00 61.51 H new ATOM 0 HG2 PRO A 43 -2.258 -16.043 -0.617 1.00 31.22 H new ATOM 0 HG3 PRO A 43 -3.823 -16.631 -0.093 1.00 31.22 H new ATOM 0 HD2 PRO A 43 -2.010 -15.009 1.406 1.00 32.02 H new ATOM 0 HD3 PRO A 43 -3.519 -15.696 1.972 1.00 32.02 H new ATOM 609 N ALA A 44 0.426 -16.913 0.134 1.00 31.32 N ATOM 610 CA ALA A 44 1.758 -16.685 -0.417 1.00 53.22 C ATOM 611 C ALA A 44 2.725 -16.096 0.605 1.00 63.24 C ATOM 612 O ALA A 44 3.931 -16.207 0.460 1.00 52.41 O ATOM 613 CB ALA A 44 1.663 -15.777 -1.635 1.00 51.31 C ATOM 0 H ALA A 44 -0.292 -16.306 -0.262 1.00 31.32 H new ATOM 0 HA ALA A 44 2.159 -17.656 -0.708 1.00 53.22 H new ATOM 0 HB1 ALA A 44 2.660 -15.610 -2.043 1.00 51.31 H new ATOM 0 HB2 ALA A 44 1.036 -16.248 -2.392 1.00 51.31 H new ATOM 0 HB3 ALA A 44 1.225 -14.822 -1.344 1.00 51.31 H new ATOM 619 N GLY A 45 2.188 -15.448 1.624 1.00 61.12 N ATOM 620 CA GLY A 45 3.030 -14.830 2.642 1.00 63.11 C ATOM 621 C GLY A 45 3.332 -13.391 2.297 1.00 62.13 C ATOM 622 O GLY A 45 3.809 -12.623 3.123 1.00 22.22 O ATOM 0 H GLY A 45 1.185 -15.335 1.771 1.00 61.12 H new ATOM 0 HA2 GLY A 45 2.531 -14.878 3.610 1.00 63.11 H new ATOM 0 HA3 GLY A 45 3.962 -15.388 2.736 1.00 63.11 H new ATOM 626 N SER A 46 3.014 -13.039 1.085 1.00 2.13 N ATOM 627 CA SER A 46 3.203 -11.723 0.569 1.00 22.40 C ATOM 628 C SER A 46 1.831 -11.158 0.292 1.00 52.53 C ATOM 629 O SER A 46 0.836 -11.901 0.358 1.00 14.22 O ATOM 630 CB SER A 46 4.014 -11.791 -0.722 1.00 64.40 C ATOM 631 OG SER A 46 5.238 -12.480 -0.521 1.00 24.53 O ATOM 0 H SER A 46 2.603 -13.684 0.410 1.00 2.13 H new ATOM 0 HA SER A 46 3.744 -11.094 1.277 1.00 22.40 H new ATOM 0 HB2 SER A 46 3.432 -12.294 -1.494 1.00 64.40 H new ATOM 0 HB3 SER A 46 4.216 -10.782 -1.082 1.00 64.40 H new ATOM 0 HG SER A 46 5.738 -12.511 -1.363 1.00 24.53 H new ATOM 637 N ALA A 47 1.752 -9.892 0.005 1.00 21.42 N ATOM 638 CA ALA A 47 0.489 -9.252 -0.224 1.00 14.12 C ATOM 639 C ALA A 47 0.656 -8.122 -1.196 1.00 0.43 C ATOM 640 O ALA A 47 1.772 -7.629 -1.380 1.00 51.24 O ATOM 641 CB ALA A 47 -0.071 -8.745 1.079 1.00 14.00 C ATOM 0 H ALA A 47 2.560 -9.274 -0.077 1.00 21.42 H new ATOM 0 HA ALA A 47 -0.208 -9.975 -0.647 1.00 14.12 H new ATOM 0 HB1 ALA A 47 -1.030 -8.260 0.899 1.00 14.00 H new ATOM 0 HB2 ALA A 47 -0.210 -9.581 1.765 1.00 14.00 H new ATOM 0 HB3 ALA A 47 0.622 -8.027 1.518 1.00 14.00 H new ATOM 647 N LEU A 48 -0.410 -7.740 -1.844 1.00 40.14 N ATOM 648 CA LEU A 48 -0.371 -6.650 -2.765 1.00 2.12 C ATOM 649 C LEU A 48 -1.394 -5.605 -2.385 1.00 13.42 C ATOM 650 O LEU A 48 -2.516 -5.922 -1.978 1.00 34.50 O ATOM 651 CB LEU A 48 -0.477 -7.096 -4.277 1.00 33.31 C ATOM 652 CG LEU A 48 -1.771 -7.791 -4.838 1.00 14.45 C ATOM 653 CD1 LEU A 48 -2.195 -9.021 -4.060 1.00 62.34 C ATOM 654 CD2 LEU A 48 -2.932 -6.818 -5.044 1.00 5.44 C ATOM 0 H LEU A 48 -1.326 -8.178 -1.745 1.00 40.14 H new ATOM 0 HA LEU A 48 0.617 -6.196 -2.688 1.00 2.12 H new ATOM 0 HB2 LEU A 48 -0.307 -6.206 -4.883 1.00 33.31 H new ATOM 0 HB3 LEU A 48 0.355 -7.774 -4.467 1.00 33.31 H new ATOM 0 HG LEU A 48 -1.481 -8.150 -5.825 1.00 14.45 H new ATOM 0 HD11 LEU A 48 -3.094 -9.443 -4.508 1.00 62.34 H new ATOM 0 HD12 LEU A 48 -1.395 -9.761 -4.085 1.00 62.34 H new ATOM 0 HD13 LEU A 48 -2.401 -8.744 -3.026 1.00 62.34 H new ATOM 0 HD21 LEU A 48 -3.795 -7.358 -5.433 1.00 5.44 H new ATOM 0 HD22 LEU A 48 -3.192 -6.355 -4.092 1.00 5.44 H new ATOM 0 HD23 LEU A 48 -2.638 -6.046 -5.755 1.00 5.44 H new ATOM 666 N LEU A 49 -1.003 -4.388 -2.467 1.00 34.33 N ATOM 667 CA LEU A 49 -1.880 -3.308 -2.179 1.00 42.32 C ATOM 668 C LEU A 49 -2.184 -2.564 -3.456 1.00 25.44 C ATOM 669 O LEU A 49 -1.307 -2.384 -4.297 1.00 74.00 O ATOM 670 CB LEU A 49 -1.332 -2.410 -1.024 1.00 0.25 C ATOM 671 CG LEU A 49 0.119 -1.865 -1.116 1.00 13.11 C ATOM 672 CD1 LEU A 49 0.262 -0.748 -2.139 1.00 74.23 C ATOM 673 CD2 LEU A 49 0.600 -1.407 0.254 1.00 25.44 C ATOM 0 H LEU A 49 -0.060 -4.108 -2.737 1.00 34.33 H new ATOM 0 HA LEU A 49 -2.827 -3.688 -1.796 1.00 42.32 H new ATOM 0 HB2 LEU A 49 -1.999 -1.554 -0.929 1.00 0.25 H new ATOM 0 HB3 LEU A 49 -1.411 -2.980 -0.098 1.00 0.25 H new ATOM 0 HG LEU A 49 0.748 -2.686 -1.460 1.00 13.11 H new ATOM 0 HD11 LEU A 49 1.296 -0.405 -2.161 1.00 74.23 H new ATOM 0 HD12 LEU A 49 -0.018 -1.119 -3.125 1.00 74.23 H new ATOM 0 HD13 LEU A 49 -0.390 0.082 -1.865 1.00 74.23 H new ATOM 0 HD21 LEU A 49 1.619 -1.028 0.174 1.00 25.44 H new ATOM 0 HD22 LEU A 49 -0.054 -0.617 0.624 1.00 25.44 H new ATOM 0 HD23 LEU A 49 0.580 -2.248 0.947 1.00 25.44 H new ATOM 685 N VAL A 50 -3.408 -2.212 -3.646 1.00 31.42 N ATOM 686 CA VAL A 50 -3.797 -1.516 -4.842 1.00 64.54 C ATOM 687 C VAL A 50 -4.195 -0.095 -4.497 1.00 23.35 C ATOM 688 O VAL A 50 -4.862 0.142 -3.483 1.00 33.42 O ATOM 689 CB VAL A 50 -4.930 -2.271 -5.625 1.00 20.15 C ATOM 690 CG1 VAL A 50 -6.195 -2.445 -4.793 1.00 20.40 C ATOM 691 CG2 VAL A 50 -5.240 -1.595 -6.960 1.00 1.51 C ATOM 0 H VAL A 50 -4.168 -2.392 -2.989 1.00 31.42 H new ATOM 0 HA VAL A 50 -2.941 -1.483 -5.516 1.00 64.54 H new ATOM 0 HB VAL A 50 -4.546 -3.269 -5.836 1.00 20.15 H new ATOM 0 HG11 VAL A 50 -6.947 -2.972 -5.380 1.00 20.40 H new ATOM 0 HG12 VAL A 50 -5.965 -3.021 -3.897 1.00 20.40 H new ATOM 0 HG13 VAL A 50 -6.579 -1.466 -4.506 1.00 20.40 H new ATOM 0 HG21 VAL A 50 -6.029 -2.146 -7.472 1.00 1.51 H new ATOM 0 HG22 VAL A 50 -5.570 -0.571 -6.782 1.00 1.51 H new ATOM 0 HG23 VAL A 50 -4.343 -1.585 -7.579 1.00 1.51 H new ATOM 701 N VAL A 51 -3.738 0.848 -5.279 1.00 53.44 N ATOM 702 CA VAL A 51 -4.067 2.219 -5.041 1.00 43.52 C ATOM 703 C VAL A 51 -5.447 2.467 -5.612 1.00 31.40 C ATOM 704 O VAL A 51 -5.670 2.329 -6.828 1.00 64.41 O ATOM 705 CB VAL A 51 -3.060 3.175 -5.706 1.00 61.13 C ATOM 706 CG1 VAL A 51 -3.287 4.604 -5.234 1.00 41.21 C ATOM 707 CG2 VAL A 51 -1.624 2.741 -5.448 1.00 71.11 C ATOM 0 H VAL A 51 -3.136 0.686 -6.086 1.00 53.44 H new ATOM 0 HA VAL A 51 -4.037 2.410 -3.968 1.00 43.52 H new ATOM 0 HB VAL A 51 -3.226 3.136 -6.783 1.00 61.13 H new ATOM 0 HG11 VAL A 51 -2.566 5.265 -5.715 1.00 41.21 H new ATOM 0 HG12 VAL A 51 -4.298 4.918 -5.496 1.00 41.21 H new ATOM 0 HG13 VAL A 51 -3.160 4.654 -4.153 1.00 41.21 H new ATOM 0 HG21 VAL A 51 -0.941 3.439 -5.932 1.00 71.11 H new ATOM 0 HG22 VAL A 51 -1.434 2.732 -4.375 1.00 71.11 H new ATOM 0 HG23 VAL A 51 -1.468 1.741 -5.852 1.00 71.11 H new ATOM 717 N LYS A 52 -6.357 2.828 -4.758 1.00 20.31 N ATOM 718 CA LYS A 52 -7.727 3.029 -5.149 1.00 31.24 C ATOM 719 C LYS A 52 -7.912 4.464 -5.593 1.00 14.00 C ATOM 720 O LYS A 52 -8.642 4.751 -6.536 1.00 33.43 O ATOM 721 CB LYS A 52 -8.650 2.732 -3.961 1.00 65.25 C ATOM 722 CG LYS A 52 -10.123 2.577 -4.316 1.00 11.34 C ATOM 723 CD LYS A 52 -10.350 1.325 -5.150 1.00 24.51 C ATOM 724 CE LYS A 52 -11.820 1.110 -5.464 1.00 73.11 C ATOM 725 NZ LYS A 52 -12.030 -0.134 -6.237 1.00 20.12 N ATOM 0 H LYS A 52 -6.174 2.993 -3.768 1.00 20.31 H new ATOM 0 HA LYS A 52 -7.976 2.358 -5.971 1.00 31.24 H new ATOM 0 HB2 LYS A 52 -8.310 1.817 -3.476 1.00 65.25 H new ATOM 0 HB3 LYS A 52 -8.550 3.536 -3.232 1.00 65.25 H new ATOM 0 HG2 LYS A 52 -10.718 2.524 -3.404 1.00 11.34 H new ATOM 0 HG3 LYS A 52 -10.463 3.453 -4.868 1.00 11.34 H new ATOM 0 HD2 LYS A 52 -9.788 1.402 -6.081 1.00 24.51 H new ATOM 0 HD3 LYS A 52 -9.963 0.458 -4.615 1.00 24.51 H new ATOM 0 HE2 LYS A 52 -12.389 1.064 -4.535 1.00 73.11 H new ATOM 0 HE3 LYS A 52 -12.201 1.960 -6.029 1.00 73.11 H new ATOM 0 HZ1 LYS A 52 -13.044 -0.252 -6.436 1.00 20.12 H new ATOM 0 HZ2 LYS A 52 -11.506 -0.078 -7.133 1.00 20.12 H new ATOM 0 HZ3 LYS A 52 -11.688 -0.947 -5.686 1.00 20.12 H new ATOM 739 N ARG A 53 -7.216 5.348 -4.929 1.00 61.12 N ATOM 740 CA ARG A 53 -7.339 6.761 -5.175 1.00 43.41 C ATOM 741 C ARG A 53 -6.005 7.431 -4.920 1.00 24.50 C ATOM 742 O ARG A 53 -5.274 7.020 -4.014 1.00 31.13 O ATOM 743 CB ARG A 53 -8.448 7.336 -4.276 1.00 63.52 C ATOM 744 CG ARG A 53 -8.656 8.839 -4.372 1.00 72.53 C ATOM 745 CD ARG A 53 -9.925 9.247 -3.659 1.00 4.25 C ATOM 746 NE ARG A 53 -11.115 8.654 -4.298 1.00 14.25 N ATOM 747 CZ ARG A 53 -12.274 8.393 -3.679 1.00 61.33 C ATOM 748 NH1 ARG A 53 -12.382 8.529 -2.363 1.00 60.13 N ATOM 749 NH2 ARG A 53 -13.311 7.943 -4.385 1.00 51.10 N ATOM 0 H ARG A 53 -6.545 5.108 -4.199 1.00 61.12 H new ATOM 0 HA ARG A 53 -7.615 6.947 -6.213 1.00 43.41 H new ATOM 0 HB2 ARG A 53 -9.386 6.840 -4.525 1.00 63.52 H new ATOM 0 HB3 ARG A 53 -8.219 7.084 -3.241 1.00 63.52 H new ATOM 0 HG2 ARG A 53 -7.803 9.358 -3.934 1.00 72.53 H new ATOM 0 HG3 ARG A 53 -8.708 9.138 -5.419 1.00 72.53 H new ATOM 0 HD2 ARG A 53 -9.875 8.933 -2.616 1.00 4.25 H new ATOM 0 HD3 ARG A 53 -10.012 10.334 -3.661 1.00 4.25 H new ATOM 0 HE ARG A 53 -11.050 8.425 -5.290 1.00 14.25 H new ATOM 0 HH11 ARG A 53 -11.578 8.835 -1.814 1.00 60.13 H new ATOM 0 HH12 ARG A 53 -13.269 8.328 -1.901 1.00 60.13 H new ATOM 0 HH21 ARG A 53 -13.219 7.799 -5.391 1.00 51.10 H new ATOM 0 HH22 ARG A 53 -14.196 7.742 -3.920 1.00 51.10 H new ATOM 763 N GLY A 54 -5.675 8.403 -5.736 1.00 64.35 N ATOM 764 CA GLY A 54 -4.435 9.122 -5.600 1.00 2.35 C ATOM 765 C GLY A 54 -3.768 9.284 -6.950 1.00 10.12 C ATOM 766 O GLY A 54 -4.267 8.747 -7.940 1.00 15.13 O ATOM 0 H GLY A 54 -6.259 8.716 -6.512 1.00 64.35 H new ATOM 0 HA2 GLY A 54 -4.622 10.101 -5.160 1.00 2.35 H new ATOM 0 HA3 GLY A 54 -3.770 8.588 -4.921 1.00 2.35 H new ATOM 770 N PRO A 55 -2.653 10.020 -7.042 1.00 53.32 N ATOM 771 CA PRO A 55 -1.924 10.198 -8.305 1.00 3.23 C ATOM 772 C PRO A 55 -1.531 8.865 -8.984 1.00 4.31 C ATOM 773 O PRO A 55 -1.699 8.714 -10.189 1.00 12.33 O ATOM 774 CB PRO A 55 -0.680 10.981 -7.886 1.00 23.43 C ATOM 775 CG PRO A 55 -1.123 11.752 -6.695 1.00 21.03 C ATOM 776 CD PRO A 55 -2.085 10.854 -5.964 1.00 73.25 C ATOM 0 HA PRO A 55 -2.538 10.703 -9.051 1.00 3.23 H new ATOM 0 HB2 PRO A 55 0.148 10.315 -7.644 1.00 23.43 H new ATOM 0 HB3 PRO A 55 -0.336 11.640 -8.683 1.00 23.43 H new ATOM 0 HG2 PRO A 55 -0.276 12.016 -6.062 1.00 21.03 H new ATOM 0 HG3 PRO A 55 -1.604 12.685 -6.989 1.00 21.03 H new ATOM 0 HD2 PRO A 55 -1.579 10.249 -5.211 1.00 73.25 H new ATOM 0 HD3 PRO A 55 -2.857 11.425 -5.448 1.00 73.25 H new ATOM 784 N ASN A 56 -1.017 7.897 -8.238 1.00 1.43 N ATOM 785 CA ASN A 56 -0.674 6.603 -8.851 1.00 14.32 C ATOM 786 C ASN A 56 -1.817 5.566 -8.768 1.00 11.23 C ATOM 787 O ASN A 56 -1.572 4.364 -8.916 1.00 40.14 O ATOM 788 CB ASN A 56 0.638 6.017 -8.287 1.00 52.32 C ATOM 789 CG ASN A 56 0.646 5.844 -6.785 1.00 10.12 C ATOM 790 OD1 ASN A 56 -0.377 5.667 -6.156 1.00 31.20 O ATOM 791 ND2 ASN A 56 1.802 5.890 -6.205 1.00 70.11 N ATOM 0 H ASN A 56 -0.829 7.968 -7.238 1.00 1.43 H new ATOM 0 HA ASN A 56 -0.519 6.820 -9.908 1.00 14.32 H new ATOM 0 HB2 ASN A 56 0.820 5.049 -8.754 1.00 52.32 H new ATOM 0 HB3 ASN A 56 1.465 6.668 -8.571 1.00 52.32 H new ATOM 0 HD21 ASN A 56 1.870 5.776 -5.194 1.00 70.11 H new ATOM 0 HD22 ASN A 56 2.645 6.040 -6.759 1.00 70.11 H new ATOM 798 N ALA A 57 -3.064 6.037 -8.608 1.00 54.12 N ATOM 799 CA ALA A 57 -4.248 5.154 -8.504 1.00 40.12 C ATOM 800 C ALA A 57 -4.352 4.202 -9.678 1.00 32.53 C ATOM 801 O ALA A 57 -4.055 4.571 -10.815 1.00 11.31 O ATOM 802 CB ALA A 57 -5.528 5.966 -8.402 1.00 10.05 C ATOM 0 H ALA A 57 -3.284 7.031 -8.547 1.00 54.12 H new ATOM 0 HA ALA A 57 -4.118 4.567 -7.595 1.00 40.12 H new ATOM 0 HB1 ALA A 57 -6.381 5.292 -8.327 1.00 10.05 H new ATOM 0 HB2 ALA A 57 -5.487 6.600 -7.516 1.00 10.05 H new ATOM 0 HB3 ALA A 57 -5.635 6.589 -9.290 1.00 10.05 H new ATOM 808 N GLY A 58 -4.741 2.984 -9.394 1.00 13.44 N ATOM 809 CA GLY A 58 -4.883 1.990 -10.424 1.00 21.10 C ATOM 810 C GLY A 58 -3.724 1.036 -10.433 1.00 23.43 C ATOM 811 O GLY A 58 -3.791 -0.037 -11.039 1.00 53.04 O ATOM 0 H GLY A 58 -4.965 2.658 -8.454 1.00 13.44 H new ATOM 0 HA2 GLY A 58 -5.810 1.437 -10.271 1.00 21.10 H new ATOM 0 HA3 GLY A 58 -4.960 2.479 -11.395 1.00 21.10 H new ATOM 815 N ALA A 59 -2.651 1.422 -9.779 1.00 4.12 N ATOM 816 CA ALA A 59 -1.477 0.584 -9.712 1.00 13.01 C ATOM 817 C ALA A 59 -1.543 -0.325 -8.503 1.00 60.33 C ATOM 818 O ALA A 59 -2.055 0.071 -7.442 1.00 10.21 O ATOM 819 CB ALA A 59 -0.217 1.435 -9.661 1.00 73.34 C ATOM 0 H ALA A 59 -2.568 2.311 -9.286 1.00 4.12 H new ATOM 0 HA ALA A 59 -1.445 -0.033 -10.610 1.00 13.01 H new ATOM 0 HB1 ALA A 59 0.658 0.787 -9.611 1.00 73.34 H new ATOM 0 HB2 ALA A 59 -0.159 2.054 -10.557 1.00 73.34 H new ATOM 0 HB3 ALA A 59 -0.246 2.075 -8.779 1.00 73.34 H new ATOM 825 N ARG A 60 -1.079 -1.544 -8.662 1.00 53.52 N ATOM 826 CA ARG A 60 -0.995 -2.459 -7.556 1.00 21.24 C ATOM 827 C ARG A 60 0.473 -2.724 -7.260 1.00 41.35 C ATOM 828 O ARG A 60 1.283 -2.920 -8.181 1.00 64.32 O ATOM 829 CB ARG A 60 -1.774 -3.778 -7.824 1.00 21.13 C ATOM 830 CG ARG A 60 -1.222 -4.647 -8.953 1.00 75.34 C ATOM 831 CD ARG A 60 -2.057 -5.903 -9.168 1.00 4.24 C ATOM 832 NE ARG A 60 -1.479 -6.777 -10.199 1.00 34.05 N ATOM 833 CZ ARG A 60 -2.079 -7.854 -10.743 1.00 34.44 C ATOM 834 NH1 ARG A 60 -3.325 -8.190 -10.401 1.00 15.41 N ATOM 835 NH2 ARG A 60 -1.432 -8.585 -11.636 1.00 54.32 N ATOM 0 H ARG A 60 -0.754 -1.922 -9.552 1.00 53.52 H new ATOM 0 HA ARG A 60 -1.469 -2.008 -6.684 1.00 21.24 H new ATOM 0 HB2 ARG A 60 -1.784 -4.367 -6.907 1.00 21.13 H new ATOM 0 HB3 ARG A 60 -2.810 -3.528 -8.054 1.00 21.13 H new ATOM 0 HG2 ARG A 60 -1.195 -4.068 -9.876 1.00 75.34 H new ATOM 0 HG3 ARG A 60 -0.195 -4.930 -8.724 1.00 75.34 H new ATOM 0 HD2 ARG A 60 -2.135 -6.452 -8.229 1.00 4.24 H new ATOM 0 HD3 ARG A 60 -3.069 -5.621 -9.458 1.00 4.24 H new ATOM 0 HE ARG A 60 -0.542 -6.548 -10.532 1.00 34.05 H new ATOM 0 HH11 ARG A 60 -3.836 -7.629 -9.720 1.00 15.41 H new ATOM 0 HH12 ARG A 60 -3.766 -9.008 -10.821 1.00 15.41 H new ATOM 0 HH21 ARG A 60 -0.483 -8.333 -11.910 1.00 54.32 H new ATOM 0 HH22 ARG A 60 -1.883 -9.401 -12.050 1.00 54.32 H new ATOM 849 N PHE A 61 0.822 -2.697 -6.011 1.00 25.42 N ATOM 850 CA PHE A 61 2.185 -2.904 -5.590 1.00 30.42 C ATOM 851 C PHE A 61 2.268 -4.130 -4.710 1.00 53.31 C ATOM 852 O PHE A 61 1.456 -4.306 -3.801 1.00 42.14 O ATOM 853 CB PHE A 61 2.731 -1.676 -4.855 1.00 24.54 C ATOM 854 CG PHE A 61 2.761 -0.410 -5.681 1.00 65.12 C ATOM 855 CD1 PHE A 61 3.715 -0.235 -6.671 1.00 34.51 C ATOM 856 CD2 PHE A 61 1.837 0.602 -5.465 1.00 3.41 C ATOM 857 CE1 PHE A 61 3.750 0.921 -7.427 1.00 0.44 C ATOM 858 CE2 PHE A 61 1.868 1.762 -6.216 1.00 13.24 C ATOM 859 CZ PHE A 61 2.825 1.923 -7.198 1.00 72.23 C ATOM 0 H PHE A 61 0.169 -2.530 -5.245 1.00 25.42 H new ATOM 0 HA PHE A 61 2.800 -3.058 -6.477 1.00 30.42 H new ATOM 0 HB2 PHE A 61 2.124 -1.501 -3.967 1.00 24.54 H new ATOM 0 HB3 PHE A 61 3.742 -1.894 -4.512 1.00 24.54 H new ATOM 0 HD1 PHE A 61 4.441 -1.013 -6.854 1.00 34.51 H new ATOM 0 HD2 PHE A 61 1.084 0.482 -4.700 1.00 3.41 H new ATOM 0 HE1 PHE A 61 4.499 1.042 -8.196 1.00 0.44 H new ATOM 0 HE2 PHE A 61 1.144 2.542 -6.035 1.00 13.24 H new ATOM 0 HZ PHE A 61 2.851 2.829 -7.786 1.00 72.23 H new ATOM 869 N LEU A 62 3.226 -4.965 -4.988 1.00 33.15 N ATOM 870 CA LEU A 62 3.405 -6.214 -4.290 1.00 63.21 C ATOM 871 C LEU A 62 4.515 -6.082 -3.258 1.00 62.35 C ATOM 872 O LEU A 62 5.635 -5.689 -3.594 1.00 44.24 O ATOM 873 CB LEU A 62 3.759 -7.311 -5.310 1.00 30.44 C ATOM 874 CG LEU A 62 3.996 -8.729 -4.767 1.00 60.53 C ATOM 875 CD1 LEU A 62 2.735 -9.304 -4.139 1.00 72.14 C ATOM 876 CD2 LEU A 62 4.499 -9.636 -5.876 1.00 73.22 C ATOM 0 H LEU A 62 3.919 -4.799 -5.718 1.00 33.15 H new ATOM 0 HA LEU A 62 2.483 -6.479 -3.773 1.00 63.21 H new ATOM 0 HB2 LEU A 62 2.955 -7.361 -6.044 1.00 30.44 H new ATOM 0 HB3 LEU A 62 4.658 -6.999 -5.842 1.00 30.44 H new ATOM 0 HG LEU A 62 4.754 -8.668 -3.986 1.00 60.53 H new ATOM 0 HD11 LEU A 62 2.939 -10.308 -3.766 1.00 72.14 H new ATOM 0 HD12 LEU A 62 2.417 -8.668 -3.313 1.00 72.14 H new ATOM 0 HD13 LEU A 62 1.944 -9.349 -4.888 1.00 72.14 H new ATOM 0 HD21 LEU A 62 4.664 -10.638 -5.480 1.00 73.22 H new ATOM 0 HD22 LEU A 62 3.759 -9.679 -6.675 1.00 73.22 H new ATOM 0 HD23 LEU A 62 5.436 -9.243 -6.270 1.00 73.22 H new ATOM 888 N LEU A 63 4.205 -6.393 -2.020 1.00 24.23 N ATOM 889 CA LEU A 63 5.185 -6.368 -0.954 1.00 24.14 C ATOM 890 C LEU A 63 5.924 -7.696 -0.986 1.00 23.23 C ATOM 891 O LEU A 63 5.369 -8.732 -0.608 1.00 34.23 O ATOM 892 CB LEU A 63 4.530 -6.155 0.442 1.00 10.01 C ATOM 893 CG LEU A 63 3.738 -4.838 0.696 1.00 11.25 C ATOM 894 CD1 LEU A 63 4.535 -3.614 0.298 1.00 33.33 C ATOM 895 CD2 LEU A 63 2.365 -4.843 0.037 1.00 61.12 C ATOM 0 H LEU A 63 3.270 -6.670 -1.722 1.00 24.23 H new ATOM 0 HA LEU A 63 5.864 -5.530 -1.109 1.00 24.14 H new ATOM 0 HB2 LEU A 63 3.852 -6.990 0.621 1.00 10.01 H new ATOM 0 HB3 LEU A 63 5.319 -6.218 1.192 1.00 10.01 H new ATOM 0 HG LEU A 63 3.571 -4.788 1.772 1.00 11.25 H new ATOM 0 HD11 LEU A 63 3.946 -2.718 0.492 1.00 33.33 H new ATOM 0 HD12 LEU A 63 5.456 -3.575 0.879 1.00 33.33 H new ATOM 0 HD13 LEU A 63 4.777 -3.667 -0.763 1.00 33.33 H new ATOM 0 HD21 LEU A 63 1.857 -3.901 0.247 1.00 61.12 H new ATOM 0 HD22 LEU A 63 2.479 -4.962 -1.040 1.00 61.12 H new ATOM 0 HD23 LEU A 63 1.775 -5.669 0.433 1.00 61.12 H new ATOM 907 N ASP A 64 7.145 -7.669 -1.472 1.00 44.21 N ATOM 908 CA ASP A 64 7.917 -8.898 -1.699 1.00 0.05 C ATOM 909 C ASP A 64 9.235 -8.840 -0.908 1.00 32.14 C ATOM 910 O ASP A 64 10.173 -9.594 -1.151 1.00 23.42 O ATOM 911 CB ASP A 64 8.175 -9.022 -3.226 1.00 0.14 C ATOM 912 CG ASP A 64 8.714 -10.371 -3.692 1.00 73.32 C ATOM 913 OD1 ASP A 64 7.910 -11.319 -3.875 1.00 12.11 O ATOM 914 OD2 ASP A 64 9.933 -10.492 -3.956 1.00 62.34 O ATOM 0 H ASP A 64 7.638 -6.812 -1.723 1.00 44.21 H new ATOM 0 HA ASP A 64 7.369 -9.774 -1.353 1.00 0.05 H new ATOM 0 HB2 ASP A 64 7.242 -8.822 -3.752 1.00 0.14 H new ATOM 0 HB3 ASP A 64 8.881 -8.246 -3.522 1.00 0.14 H new ATOM 919 N GLN A 65 9.276 -7.960 0.070 1.00 22.12 N ATOM 920 CA GLN A 65 10.467 -7.763 0.892 1.00 20.03 C ATOM 921 C GLN A 65 10.070 -7.730 2.365 1.00 24.22 C ATOM 922 O GLN A 65 8.903 -7.520 2.666 1.00 51.24 O ATOM 923 CB GLN A 65 11.193 -6.468 0.503 1.00 11.00 C ATOM 924 CG GLN A 65 10.406 -5.206 0.763 1.00 61.13 C ATOM 925 CD GLN A 65 11.049 -3.966 0.173 1.00 41.31 C ATOM 926 OE1 GLN A 65 10.354 -3.032 -0.198 1.00 5.22 O ATOM 927 NE2 GLN A 65 12.357 -3.928 0.110 1.00 33.11 N ATOM 0 H GLN A 65 8.491 -7.359 0.323 1.00 22.12 H new ATOM 0 HA GLN A 65 11.152 -8.594 0.723 1.00 20.03 H new ATOM 0 HB2 GLN A 65 12.133 -6.414 1.052 1.00 11.00 H new ATOM 0 HB3 GLN A 65 11.445 -6.512 -0.557 1.00 11.00 H new ATOM 0 HG2 GLN A 65 9.404 -5.319 0.349 1.00 61.13 H new ATOM 0 HG3 GLN A 65 10.293 -5.072 1.839 1.00 61.13 H new ATOM 0 HE21 GLN A 65 12.906 -4.726 0.429 1.00 33.11 H new ATOM 0 HE22 GLN A 65 12.826 -3.100 -0.258 1.00 33.11 H new ATOM 936 N PRO A 66 11.005 -8.013 3.295 1.00 43.21 N ATOM 937 CA PRO A 66 10.737 -7.969 4.743 1.00 4.43 C ATOM 938 C PRO A 66 10.347 -6.569 5.270 1.00 33.13 C ATOM 939 O PRO A 66 9.678 -6.457 6.306 1.00 62.23 O ATOM 940 CB PRO A 66 12.065 -8.411 5.377 1.00 61.52 C ATOM 941 CG PRO A 66 12.770 -9.153 4.300 1.00 61.35 C ATOM 942 CD PRO A 66 12.386 -8.466 3.024 1.00 2.24 C ATOM 0 HA PRO A 66 9.884 -8.601 4.989 1.00 4.43 H new ATOM 0 HB2 PRO A 66 12.648 -7.553 5.714 1.00 61.52 H new ATOM 0 HB3 PRO A 66 11.896 -9.044 6.248 1.00 61.52 H new ATOM 0 HG2 PRO A 66 13.850 -9.130 4.449 1.00 61.35 H new ATOM 0 HG3 PRO A 66 12.473 -10.202 4.286 1.00 61.35 H new ATOM 0 HD2 PRO A 66 13.049 -7.630 2.800 1.00 2.24 H new ATOM 0 HD3 PRO A 66 12.429 -9.144 2.172 1.00 2.24 H new ATOM 950 N THR A 67 10.780 -5.503 4.610 1.00 14.44 N ATOM 951 CA THR A 67 10.433 -4.165 5.076 1.00 75.54 C ATOM 952 C THR A 67 10.291 -3.195 3.909 1.00 22.00 C ATOM 953 O THR A 67 11.229 -2.978 3.147 1.00 15.31 O ATOM 954 CB THR A 67 11.492 -3.630 6.080 1.00 23.10 C ATOM 955 OG1 THR A 67 11.632 -4.565 7.163 1.00 65.34 O ATOM 956 CG2 THR A 67 11.076 -2.272 6.649 1.00 21.44 C ATOM 0 H THR A 67 11.358 -5.534 3.770 1.00 14.44 H new ATOM 0 HA THR A 67 9.473 -4.239 5.587 1.00 75.54 H new ATOM 0 HB THR A 67 12.437 -3.512 5.551 1.00 23.10 H new ATOM 0 HG1 THR A 67 12.300 -4.232 7.798 1.00 65.34 H new ATOM 0 HG21 THR A 67 11.836 -1.922 7.348 1.00 21.44 H new ATOM 0 HG22 THR A 67 10.973 -1.553 5.836 1.00 21.44 H new ATOM 0 HG23 THR A 67 10.123 -2.372 7.169 1.00 21.44 H new ATOM 964 N THR A 68 9.142 -2.608 3.799 1.00 5.14 N ATOM 965 CA THR A 68 8.852 -1.681 2.753 1.00 50.44 C ATOM 966 C THR A 68 8.739 -0.263 3.327 1.00 15.31 C ATOM 967 O THR A 68 8.125 -0.060 4.363 1.00 42.21 O ATOM 968 CB THR A 68 7.544 -2.083 2.048 1.00 4.30 C ATOM 969 OG1 THR A 68 7.662 -3.435 1.588 1.00 24.45 O ATOM 970 CG2 THR A 68 7.260 -1.176 0.863 1.00 3.50 C ATOM 0 H THR A 68 8.367 -2.762 4.444 1.00 5.14 H new ATOM 0 HA THR A 68 9.662 -1.697 2.023 1.00 50.44 H new ATOM 0 HB THR A 68 6.722 -1.989 2.758 1.00 4.30 H new ATOM 0 HG1 THR A 68 7.714 -3.444 0.609 1.00 24.45 H new ATOM 0 HG21 THR A 68 6.330 -1.483 0.384 1.00 3.50 H new ATOM 0 HG22 THR A 68 7.168 -0.146 1.207 1.00 3.50 H new ATOM 0 HG23 THR A 68 8.078 -1.247 0.146 1.00 3.50 H new ATOM 978 N THR A 69 9.339 0.689 2.670 1.00 23.53 N ATOM 979 CA THR A 69 9.295 2.054 3.113 1.00 53.35 C ATOM 980 C THR A 69 8.358 2.844 2.195 1.00 64.34 C ATOM 981 O THR A 69 8.317 2.591 0.979 1.00 20.04 O ATOM 982 CB THR A 69 10.721 2.659 3.086 1.00 63.44 C ATOM 983 OG1 THR A 69 11.603 1.789 3.813 1.00 23.24 O ATOM 984 CG2 THR A 69 10.754 4.044 3.730 1.00 74.31 C ATOM 0 H THR A 69 9.872 0.541 1.813 1.00 23.53 H new ATOM 0 HA THR A 69 8.920 2.103 4.135 1.00 53.35 H new ATOM 0 HB THR A 69 11.034 2.758 2.047 1.00 63.44 H new ATOM 0 HG1 THR A 69 12.510 2.160 3.802 1.00 23.24 H new ATOM 0 HG21 THR A 69 11.770 4.438 3.694 1.00 74.31 H new ATOM 0 HG22 THR A 69 10.085 4.713 3.188 1.00 74.31 H new ATOM 0 HG23 THR A 69 10.431 3.970 4.768 1.00 74.31 H new ATOM 992 N ALA A 70 7.597 3.749 2.765 1.00 32.03 N ATOM 993 CA ALA A 70 6.691 4.572 2.011 1.00 74.50 C ATOM 994 C ALA A 70 7.071 6.027 2.167 1.00 43.31 C ATOM 995 O ALA A 70 7.389 6.490 3.286 1.00 71.22 O ATOM 996 CB ALA A 70 5.262 4.351 2.474 1.00 2.50 C ATOM 0 H ALA A 70 7.592 3.933 3.768 1.00 32.03 H new ATOM 0 HA ALA A 70 6.758 4.296 0.959 1.00 74.50 H new ATOM 0 HB1 ALA A 70 4.590 4.982 1.893 1.00 2.50 H new ATOM 0 HB2 ALA A 70 4.991 3.305 2.332 1.00 2.50 H new ATOM 0 HB3 ALA A 70 5.178 4.608 3.530 1.00 2.50 H new ATOM 1002 N GLY A 71 7.071 6.726 1.060 1.00 14.12 N ATOM 1003 CA GLY A 71 7.416 8.119 1.035 1.00 52.35 C ATOM 1004 C GLY A 71 8.289 8.406 -0.155 1.00 63.11 C ATOM 1005 O GLY A 71 8.352 7.584 -1.088 1.00 70.11 O ATOM 0 H GLY A 71 6.830 6.340 0.147 1.00 14.12 H new ATOM 0 HA2 GLY A 71 6.512 8.726 0.989 1.00 52.35 H new ATOM 0 HA3 GLY A 71 7.936 8.391 1.953 1.00 52.35 H new ATOM 1009 N ARG A 72 8.943 9.535 -0.153 1.00 4.02 N ATOM 1010 CA ARG A 72 9.867 9.860 -1.212 1.00 1.43 C ATOM 1011 C ARG A 72 11.267 9.609 -0.707 1.00 34.12 C ATOM 1012 O ARG A 72 11.728 10.307 0.175 1.00 53.20 O ATOM 1013 CB ARG A 72 9.760 11.341 -1.559 1.00 44.45 C ATOM 1014 CG ARG A 72 8.490 11.764 -2.246 1.00 71.33 C ATOM 1015 CD ARG A 72 8.401 13.281 -2.261 1.00 62.31 C ATOM 1016 NE ARG A 72 7.331 13.795 -3.123 1.00 34.14 N ATOM 1017 CZ ARG A 72 6.702 14.966 -2.953 1.00 53.10 C ATOM 1018 NH1 ARG A 72 6.879 15.667 -1.827 1.00 73.11 N ATOM 1019 NH2 ARG A 72 5.859 15.398 -3.876 1.00 70.43 N ATOM 0 H ARG A 72 8.855 10.249 0.570 1.00 4.02 H new ATOM 0 HA ARG A 72 9.641 9.255 -2.090 1.00 1.43 H new ATOM 0 HB2 ARG A 72 9.863 11.918 -0.640 1.00 44.45 H new ATOM 0 HB3 ARG A 72 10.602 11.607 -2.198 1.00 44.45 H new ATOM 0 HG2 ARG A 72 8.470 11.378 -3.265 1.00 71.33 H new ATOM 0 HG3 ARG A 72 7.627 11.344 -1.729 1.00 71.33 H new ATOM 0 HD2 ARG A 72 8.240 13.638 -1.244 1.00 62.31 H new ATOM 0 HD3 ARG A 72 9.354 13.690 -2.595 1.00 62.31 H new ATOM 0 HE ARG A 72 7.044 13.217 -3.912 1.00 34.14 H new ATOM 0 HH11 ARG A 72 7.494 15.310 -1.096 1.00 73.11 H new ATOM 0 HH12 ARG A 72 6.399 16.558 -1.700 1.00 73.11 H new ATOM 0 HH21 ARG A 72 5.690 14.840 -4.713 1.00 70.43 H new ATOM 0 HH22 ARG A 72 5.378 16.289 -3.751 1.00 70.43 H new ATOM 1033 N HIS A 73 11.959 8.705 -1.327 1.00 51.34 N ATOM 1034 CA HIS A 73 13.303 8.325 -0.914 1.00 41.23 C ATOM 1035 C HIS A 73 13.717 7.201 -1.838 1.00 44.14 C ATOM 1036 O HIS A 73 12.850 6.511 -2.361 1.00 1.14 O ATOM 1037 CB HIS A 73 13.300 7.811 0.568 1.00 62.41 C ATOM 1038 CG HIS A 73 14.508 8.234 1.369 1.00 10.12 C ATOM 1039 ND1 HIS A 73 15.205 7.423 2.257 1.00 62.14 N ATOM 1040 CD2 HIS A 73 15.111 9.446 1.432 1.00 50.22 C ATOM 1041 CE1 HIS A 73 16.174 8.155 2.807 1.00 23.42 C ATOM 1042 NE2 HIS A 73 16.168 9.392 2.344 1.00 74.41 N ATOM 0 H HIS A 73 11.617 8.197 -2.143 1.00 51.34 H new ATOM 0 HA HIS A 73 13.985 9.174 -0.967 1.00 41.23 H new ATOM 0 HB2 HIS A 73 12.401 8.175 1.066 1.00 62.41 H new ATOM 0 HB3 HIS A 73 13.243 6.722 0.564 1.00 62.41 H new ATOM 0 HD1 HIS A 73 15.010 6.441 2.453 1.00 62.14 H new ATOM 0 HD2 HIS A 73 14.820 10.318 0.865 1.00 50.22 H new ATOM 0 HE1 HIS A 73 16.876 7.783 3.539 1.00 23.42 H new ATOM 1050 N PRO A 74 15.016 6.983 -2.086 1.00 12.22 N ATOM 1051 CA PRO A 74 15.468 5.891 -2.961 1.00 32.34 C ATOM 1052 C PRO A 74 15.129 4.502 -2.415 1.00 32.13 C ATOM 1053 O PRO A 74 15.158 3.519 -3.148 1.00 35.40 O ATOM 1054 CB PRO A 74 16.992 6.075 -3.022 1.00 4.55 C ATOM 1055 CG PRO A 74 17.226 7.484 -2.608 1.00 0.15 C ATOM 1056 CD PRO A 74 16.152 7.803 -1.617 1.00 74.20 C ATOM 0 HA PRO A 74 14.975 5.939 -3.932 1.00 32.34 H new ATOM 0 HB2 PRO A 74 17.501 5.378 -2.356 1.00 4.55 H new ATOM 0 HB3 PRO A 74 17.372 5.890 -4.027 1.00 4.55 H new ATOM 0 HG2 PRO A 74 18.215 7.602 -2.164 1.00 0.15 H new ATOM 0 HG3 PRO A 74 17.179 8.156 -3.465 1.00 0.15 H new ATOM 0 HD2 PRO A 74 16.448 7.540 -0.602 1.00 74.20 H new ATOM 0 HD3 PRO A 74 15.909 8.866 -1.613 1.00 74.20 H new ATOM 1064 N GLU A 75 14.790 4.425 -1.141 1.00 3.01 N ATOM 1065 CA GLU A 75 14.519 3.148 -0.512 1.00 31.35 C ATOM 1066 C GLU A 75 13.039 2.808 -0.495 1.00 75.22 C ATOM 1067 O GLU A 75 12.668 1.742 -0.003 1.00 60.53 O ATOM 1068 CB GLU A 75 15.073 3.102 0.914 1.00 12.03 C ATOM 1069 CG GLU A 75 14.386 4.030 1.896 1.00 1.12 C ATOM 1070 CD GLU A 75 15.048 4.020 3.246 1.00 75.20 C ATOM 1071 OE1 GLU A 75 15.026 2.990 3.938 1.00 63.44 O ATOM 1072 OE2 GLU A 75 15.600 5.060 3.636 1.00 63.41 O ATOM 0 H GLU A 75 14.696 5.231 -0.523 1.00 3.01 H new ATOM 0 HA GLU A 75 15.027 2.399 -1.119 1.00 31.35 H new ATOM 0 HB2 GLU A 75 14.994 2.080 1.286 1.00 12.03 H new ATOM 0 HB3 GLU A 75 16.134 3.349 0.884 1.00 12.03 H new ATOM 0 HG2 GLU A 75 14.391 5.045 1.498 1.00 1.12 H new ATOM 0 HG3 GLU A 75 13.342 3.735 2.003 1.00 1.12 H new ATOM 1079 N SER A 76 12.191 3.681 -1.006 1.00 71.23 N ATOM 1080 CA SER A 76 10.783 3.392 -0.970 1.00 21.13 C ATOM 1081 C SER A 76 10.366 2.533 -2.162 1.00 64.42 C ATOM 1082 O SER A 76 10.470 2.953 -3.324 1.00 34.20 O ATOM 1083 CB SER A 76 9.940 4.679 -0.831 1.00 41.33 C ATOM 1084 OG SER A 76 10.239 5.636 -1.829 1.00 61.21 O ATOM 0 H SER A 76 12.448 4.569 -1.437 1.00 71.23 H new ATOM 0 HA SER A 76 10.582 2.802 -0.076 1.00 21.13 H new ATOM 0 HB2 SER A 76 8.882 4.423 -0.884 1.00 41.33 H new ATOM 0 HB3 SER A 76 10.113 5.118 0.152 1.00 41.33 H new ATOM 0 HG SER A 76 9.642 6.407 -1.732 1.00 61.21 H new ATOM 1090 N ASP A 77 9.979 1.300 -1.881 1.00 21.35 N ATOM 1091 CA ASP A 77 9.509 0.387 -2.924 1.00 11.14 C ATOM 1092 C ASP A 77 8.168 0.857 -3.424 1.00 70.42 C ATOM 1093 O ASP A 77 7.855 0.765 -4.617 1.00 63.41 O ATOM 1094 CB ASP A 77 9.394 -1.034 -2.401 1.00 3.50 C ATOM 1095 CG ASP A 77 9.089 -2.039 -3.494 1.00 4.14 C ATOM 1096 OD1 ASP A 77 9.919 -2.209 -4.416 1.00 33.51 O ATOM 1097 OD2 ASP A 77 8.043 -2.700 -3.439 1.00 53.21 O ATOM 0 H ASP A 77 9.979 0.903 -0.941 1.00 21.35 H new ATOM 0 HA ASP A 77 10.233 0.387 -3.738 1.00 11.14 H new ATOM 0 HB2 ASP A 77 10.326 -1.312 -1.908 1.00 3.50 H new ATOM 0 HB3 ASP A 77 8.609 -1.076 -1.646 1.00 3.50 H new ATOM 1102 N ILE A 78 7.374 1.361 -2.516 1.00 24.22 N ATOM 1103 CA ILE A 78 6.135 1.954 -2.883 1.00 4.01 C ATOM 1104 C ILE A 78 6.307 3.464 -2.887 1.00 34.03 C ATOM 1105 O ILE A 78 6.331 4.129 -1.843 1.00 60.24 O ATOM 1106 CB ILE A 78 4.927 1.490 -1.997 1.00 1.32 C ATOM 1107 CG1 ILE A 78 5.187 1.704 -0.491 1.00 14.11 C ATOM 1108 CG2 ILE A 78 4.608 0.027 -2.280 1.00 3.24 C ATOM 1109 CD1 ILE A 78 4.019 1.318 0.397 1.00 61.43 C ATOM 0 H ILE A 78 7.573 1.368 -1.516 1.00 24.22 H new ATOM 0 HA ILE A 78 5.873 1.612 -3.884 1.00 4.01 H new ATOM 0 HB ILE A 78 4.069 2.108 -2.262 1.00 1.32 H new ATOM 0 HG12 ILE A 78 6.061 1.123 -0.197 1.00 14.11 H new ATOM 0 HG13 ILE A 78 5.429 2.753 -0.320 1.00 14.11 H new ATOM 0 HG21 ILE A 78 3.768 -0.289 -1.661 1.00 3.24 H new ATOM 0 HG22 ILE A 78 4.349 -0.092 -3.332 1.00 3.24 H new ATOM 0 HG23 ILE A 78 5.479 -0.586 -2.050 1.00 3.24 H new ATOM 0 HD11 ILE A 78 4.280 1.498 1.440 1.00 61.43 H new ATOM 0 HD12 ILE A 78 3.148 1.917 0.133 1.00 61.43 H new ATOM 0 HD13 ILE A 78 3.789 0.262 0.257 1.00 61.43 H new ATOM 1121 N PHE A 79 6.511 3.988 -4.055 1.00 1.43 N ATOM 1122 CA PHE A 79 6.723 5.387 -4.204 1.00 74.10 C ATOM 1123 C PHE A 79 5.392 6.055 -4.413 1.00 43.14 C ATOM 1124 O PHE A 79 4.653 5.711 -5.330 1.00 51.32 O ATOM 1125 CB PHE A 79 7.682 5.671 -5.368 1.00 44.43 C ATOM 1126 CG PHE A 79 8.091 7.113 -5.474 1.00 63.24 C ATOM 1127 CD1 PHE A 79 9.063 7.627 -4.633 1.00 43.23 C ATOM 1128 CD2 PHE A 79 7.514 7.951 -6.413 1.00 44.10 C ATOM 1129 CE1 PHE A 79 9.448 8.944 -4.721 1.00 63.23 C ATOM 1130 CE2 PHE A 79 7.896 9.270 -6.506 1.00 64.30 C ATOM 1131 CZ PHE A 79 8.865 9.768 -5.656 1.00 3.11 C ATOM 0 H PHE A 79 6.535 3.458 -4.926 1.00 1.43 H new ATOM 0 HA PHE A 79 7.188 5.789 -3.304 1.00 74.10 H new ATOM 0 HB2 PHE A 79 8.575 5.057 -5.250 1.00 44.43 H new ATOM 0 HB3 PHE A 79 7.207 5.367 -6.301 1.00 44.43 H new ATOM 0 HD1 PHE A 79 9.525 6.985 -3.898 1.00 43.23 H new ATOM 0 HD2 PHE A 79 6.756 7.566 -7.079 1.00 44.10 H new ATOM 0 HE1 PHE A 79 10.207 9.331 -4.057 1.00 63.23 H new ATOM 0 HE2 PHE A 79 7.439 9.915 -7.242 1.00 64.30 H new ATOM 0 HZ PHE A 79 9.165 10.803 -5.726 1.00 3.11 H new ATOM 1141 N LEU A 80 5.085 6.970 -3.555 1.00 61.32 N ATOM 1142 CA LEU A 80 3.834 7.694 -3.580 1.00 61.15 C ATOM 1143 C LEU A 80 4.221 9.145 -3.647 1.00 45.21 C ATOM 1144 O LEU A 80 4.999 9.601 -2.812 1.00 71.32 O ATOM 1145 CB LEU A 80 3.072 7.446 -2.252 1.00 13.21 C ATOM 1146 CG LEU A 80 2.846 5.979 -1.817 1.00 65.22 C ATOM 1147 CD1 LEU A 80 2.135 5.921 -0.480 1.00 62.44 C ATOM 1148 CD2 LEU A 80 2.065 5.196 -2.857 1.00 53.10 C ATOM 0 H LEU A 80 5.704 7.250 -2.794 1.00 61.32 H new ATOM 0 HA LEU A 80 3.200 7.388 -4.412 1.00 61.15 H new ATOM 0 HB2 LEU A 80 3.615 7.953 -1.454 1.00 13.21 H new ATOM 0 HB3 LEU A 80 2.097 7.927 -2.330 1.00 13.21 H new ATOM 0 HG LEU A 80 3.828 5.517 -1.718 1.00 65.22 H new ATOM 0 HD11 LEU A 80 1.986 4.880 -0.192 1.00 62.44 H new ATOM 0 HD12 LEU A 80 2.739 6.423 0.275 1.00 62.44 H new ATOM 0 HD13 LEU A 80 1.168 6.418 -0.560 1.00 62.44 H new ATOM 0 HD21 LEU A 80 1.928 4.171 -2.513 1.00 53.10 H new ATOM 0 HD22 LEU A 80 1.091 5.662 -3.007 1.00 53.10 H new ATOM 0 HD23 LEU A 80 2.615 5.192 -3.798 1.00 53.10 H new ATOM 1160 N ASP A 81 3.779 9.847 -4.652 1.00 60.13 N ATOM 1161 CA ASP A 81 4.115 11.246 -4.760 1.00 32.32 C ATOM 1162 C ASP A 81 2.848 12.046 -5.019 1.00 25.25 C ATOM 1163 O ASP A 81 2.170 11.823 -6.025 1.00 0.25 O ATOM 1164 CB ASP A 81 5.118 11.456 -5.901 1.00 44.20 C ATOM 1165 CG ASP A 81 5.809 12.800 -5.855 1.00 53.24 C ATOM 1166 OD1 ASP A 81 5.162 13.839 -6.024 1.00 44.30 O ATOM 1167 OD2 ASP A 81 7.040 12.839 -5.649 1.00 22.32 O ATOM 0 H ASP A 81 3.192 9.483 -5.402 1.00 60.13 H new ATOM 0 HA ASP A 81 4.571 11.586 -3.830 1.00 32.32 H new ATOM 0 HB2 ASP A 81 5.870 10.668 -5.863 1.00 44.20 H new ATOM 0 HB3 ASP A 81 4.599 11.355 -6.854 1.00 44.20 H new ATOM 1172 N ASP A 82 2.517 12.923 -4.101 1.00 61.34 N ATOM 1173 CA ASP A 82 1.369 13.813 -4.229 1.00 33.22 C ATOM 1174 C ASP A 82 1.831 15.231 -3.966 1.00 71.23 C ATOM 1175 O ASP A 82 3.011 15.533 -4.155 1.00 73.00 O ATOM 1176 CB ASP A 82 0.150 13.417 -3.307 1.00 3.42 C ATOM 1177 CG ASP A 82 0.348 13.510 -1.773 1.00 14.52 C ATOM 1178 OD1 ASP A 82 0.719 14.596 -1.259 1.00 44.31 O ATOM 1179 OD2 ASP A 82 0.031 12.523 -1.079 1.00 53.41 O ATOM 0 H ASP A 82 3.037 13.046 -3.232 1.00 61.34 H new ATOM 0 HA ASP A 82 0.984 13.723 -5.245 1.00 33.22 H new ATOM 0 HB2 ASP A 82 -0.694 14.052 -3.575 1.00 3.42 H new ATOM 0 HB3 ASP A 82 -0.133 12.392 -3.547 1.00 3.42 H new ATOM 1184 N VAL A 83 0.919 16.093 -3.556 1.00 32.20 N ATOM 1185 CA VAL A 83 1.213 17.490 -3.269 1.00 45.23 C ATOM 1186 C VAL A 83 2.360 17.625 -2.238 1.00 12.32 C ATOM 1187 O VAL A 83 3.252 18.464 -2.396 1.00 62.53 O ATOM 1188 CB VAL A 83 -0.053 18.232 -2.735 1.00 44.22 C ATOM 1189 CG1 VAL A 83 0.231 19.710 -2.481 1.00 33.24 C ATOM 1190 CG2 VAL A 83 -1.216 18.077 -3.703 1.00 24.14 C ATOM 0 H VAL A 83 -0.059 15.843 -3.410 1.00 32.20 H new ATOM 0 HA VAL A 83 1.527 17.949 -4.206 1.00 45.23 H new ATOM 0 HB VAL A 83 -0.325 17.774 -1.784 1.00 44.22 H new ATOM 0 HG11 VAL A 83 -0.672 20.195 -2.110 1.00 33.24 H new ATOM 0 HG12 VAL A 83 1.025 19.806 -1.740 1.00 33.24 H new ATOM 0 HG13 VAL A 83 0.543 20.186 -3.411 1.00 33.24 H new ATOM 0 HG21 VAL A 83 -2.088 18.602 -3.312 1.00 24.14 H new ATOM 0 HG22 VAL A 83 -0.943 18.499 -4.670 1.00 24.14 H new ATOM 0 HG23 VAL A 83 -1.452 17.020 -3.822 1.00 24.14 H new ATOM 1200 N THR A 84 2.360 16.800 -1.206 1.00 52.44 N ATOM 1201 CA THR A 84 3.393 16.889 -0.185 1.00 62.14 C ATOM 1202 C THR A 84 3.611 15.541 0.524 1.00 0.12 C ATOM 1203 O THR A 84 2.951 15.222 1.499 1.00 33.23 O ATOM 1204 CB THR A 84 3.092 18.017 0.865 1.00 3.32 C ATOM 1205 OG1 THR A 84 2.902 19.280 0.185 1.00 35.43 O ATOM 1206 CG2 THR A 84 4.249 18.170 1.854 1.00 72.53 C ATOM 0 H THR A 84 1.666 16.069 -1.052 1.00 52.44 H new ATOM 0 HA THR A 84 4.314 17.154 -0.704 1.00 62.14 H new ATOM 0 HB THR A 84 2.190 17.736 1.409 1.00 3.32 H new ATOM 0 HG1 THR A 84 2.713 19.981 0.843 1.00 35.43 H new ATOM 0 HG21 THR A 84 4.014 18.958 2.570 1.00 72.53 H new ATOM 0 HG22 THR A 84 4.400 17.230 2.385 1.00 72.53 H new ATOM 0 HG23 THR A 84 5.158 18.431 1.313 1.00 72.53 H new ATOM 1214 N VAL A 85 4.498 14.742 -0.014 1.00 14.41 N ATOM 1215 CA VAL A 85 4.853 13.486 0.603 1.00 24.45 C ATOM 1216 C VAL A 85 6.204 13.634 1.284 1.00 13.33 C ATOM 1217 O VAL A 85 7.124 14.260 0.728 1.00 62.44 O ATOM 1218 CB VAL A 85 4.885 12.315 -0.424 1.00 50.53 C ATOM 1219 CG1 VAL A 85 5.286 11.002 0.238 1.00 23.12 C ATOM 1220 CG2 VAL A 85 3.529 12.158 -1.065 1.00 22.32 C ATOM 0 H VAL A 85 4.991 14.940 -0.884 1.00 14.41 H new ATOM 0 HA VAL A 85 4.088 13.237 1.339 1.00 24.45 H new ATOM 0 HB VAL A 85 5.630 12.558 -1.182 1.00 50.53 H new ATOM 0 HG11 VAL A 85 5.298 10.207 -0.508 1.00 23.12 H new ATOM 0 HG12 VAL A 85 6.279 11.104 0.676 1.00 23.12 H new ATOM 0 HG13 VAL A 85 4.568 10.755 1.020 1.00 23.12 H new ATOM 0 HG21 VAL A 85 3.558 11.338 -1.782 1.00 22.32 H new ATOM 0 HG22 VAL A 85 2.786 11.942 -0.297 1.00 22.32 H new ATOM 0 HG23 VAL A 85 3.261 13.081 -1.580 1.00 22.32 H new ATOM 1230 N SER A 86 6.298 13.109 2.479 1.00 42.51 N ATOM 1231 CA SER A 86 7.507 13.129 3.261 1.00 43.23 C ATOM 1232 C SER A 86 8.566 12.175 2.674 1.00 62.13 C ATOM 1233 O SER A 86 8.250 11.284 1.878 1.00 22.12 O ATOM 1234 CB SER A 86 7.151 12.719 4.698 1.00 1.10 C ATOM 1235 OG SER A 86 8.284 12.642 5.553 1.00 72.42 O ATOM 0 H SER A 86 5.518 12.645 2.945 1.00 42.51 H new ATOM 0 HA SER A 86 7.935 14.131 3.248 1.00 43.23 H new ATOM 0 HB2 SER A 86 6.441 13.437 5.109 1.00 1.10 H new ATOM 0 HB3 SER A 86 6.651 11.751 4.680 1.00 1.10 H new ATOM 0 HG SER A 86 8.329 11.750 5.957 1.00 72.42 H new ATOM 1241 N ARG A 87 9.815 12.384 3.076 1.00 12.22 N ATOM 1242 CA ARG A 87 10.933 11.517 2.692 1.00 74.42 C ATOM 1243 C ARG A 87 10.729 10.129 3.297 1.00 70.22 C ATOM 1244 O ARG A 87 10.985 9.107 2.679 1.00 32.10 O ATOM 1245 CB ARG A 87 12.290 12.149 3.113 1.00 50.22 C ATOM 1246 CG ARG A 87 12.306 12.657 4.546 1.00 61.44 C ATOM 1247 CD ARG A 87 13.563 13.429 4.916 1.00 40.14 C ATOM 1248 NE ARG A 87 13.452 13.997 6.284 1.00 64.24 N ATOM 1249 CZ ARG A 87 14.454 14.562 7.005 1.00 11.20 C ATOM 1250 NH1 ARG A 87 15.649 14.751 6.473 1.00 72.52 N ATOM 1251 NH2 ARG A 87 14.229 14.958 8.254 1.00 54.13 N ATOM 0 H ARG A 87 10.086 13.161 3.679 1.00 12.22 H new ATOM 0 HA ARG A 87 10.960 11.413 1.607 1.00 74.42 H new ATOM 0 HB2 ARG A 87 13.080 11.408 2.990 1.00 50.22 H new ATOM 0 HB3 ARG A 87 12.521 12.975 2.441 1.00 50.22 H new ATOM 0 HG2 ARG A 87 11.439 13.299 4.703 1.00 61.44 H new ATOM 0 HG3 ARG A 87 12.201 11.809 5.222 1.00 61.44 H new ATOM 0 HD2 ARG A 87 14.429 12.770 4.861 1.00 40.14 H new ATOM 0 HD3 ARG A 87 13.727 14.231 4.197 1.00 40.14 H new ATOM 0 HE ARG A 87 12.533 13.959 6.725 1.00 64.24 H new ATOM 0 HH11 ARG A 87 15.828 14.471 5.509 1.00 72.52 H new ATOM 0 HH12 ARG A 87 16.392 15.177 7.027 1.00 72.52 H new ATOM 0 HH21 ARG A 87 13.305 14.837 8.669 1.00 54.13 H new ATOM 0 HH22 ARG A 87 14.980 15.383 8.798 1.00 54.13 H new ATOM 1265 N ARG A 88 10.230 10.118 4.491 1.00 1.24 N ATOM 1266 CA ARG A 88 9.860 8.920 5.168 1.00 25.14 C ATOM 1267 C ARG A 88 8.540 9.160 5.813 1.00 14.10 C ATOM 1268 O ARG A 88 8.414 10.054 6.659 1.00 15.41 O ATOM 1269 CB ARG A 88 10.911 8.479 6.202 1.00 2.14 C ATOM 1270 CG ARG A 88 12.166 7.868 5.592 1.00 52.51 C ATOM 1271 CD ARG A 88 13.149 7.426 6.660 1.00 33.44 C ATOM 1272 NE ARG A 88 14.292 6.685 6.089 1.00 15.31 N ATOM 1273 CZ ARG A 88 15.413 6.362 6.750 1.00 5.33 C ATOM 1274 NH1 ARG A 88 15.596 6.775 7.998 1.00 13.15 N ATOM 1275 NH2 ARG A 88 16.341 5.627 6.152 1.00 21.43 N ATOM 0 H ARG A 88 10.065 10.965 5.035 1.00 1.24 H new ATOM 0 HA ARG A 88 9.796 8.103 4.449 1.00 25.14 H new ATOM 0 HB2 ARG A 88 11.196 9.341 6.805 1.00 2.14 H new ATOM 0 HB3 ARG A 88 10.458 7.753 6.878 1.00 2.14 H new ATOM 0 HG2 ARG A 88 11.891 7.013 4.974 1.00 52.51 H new ATOM 0 HG3 ARG A 88 12.644 8.596 4.936 1.00 52.51 H new ATOM 0 HD2 ARG A 88 13.516 8.300 7.198 1.00 33.44 H new ATOM 0 HD3 ARG A 88 12.636 6.796 7.387 1.00 33.44 H new ATOM 0 HE ARG A 88 14.223 6.396 5.113 1.00 15.31 H new ATOM 0 HH11 ARG A 88 14.882 7.340 8.458 1.00 13.15 H new ATOM 0 HH12 ARG A 88 16.450 6.527 8.497 1.00 13.15 H new ATOM 0 HH21 ARG A 88 16.200 5.310 5.193 1.00 21.43 H new ATOM 0 HH22 ARG A 88 17.195 5.379 6.651 1.00 21.43 H new ATOM 1289 N HIS A 89 7.544 8.478 5.335 1.00 24.43 N ATOM 1290 CA HIS A 89 6.226 8.589 5.895 1.00 44.22 C ATOM 1291 C HIS A 89 5.963 7.423 6.827 1.00 24.12 C ATOM 1292 O HIS A 89 5.656 7.610 8.001 1.00 51.42 O ATOM 1293 CB HIS A 89 5.175 8.652 4.763 1.00 2.42 C ATOM 1294 CG HIS A 89 3.748 8.518 5.219 1.00 32.04 C ATOM 1295 ND1 HIS A 89 3.003 7.430 4.870 1.00 21.02 N ATOM 1296 CD2 HIS A 89 3.002 9.337 5.989 1.00 22.43 C ATOM 1297 CE1 HIS A 89 1.829 7.605 5.436 1.00 44.23 C ATOM 1298 NE2 HIS A 89 1.775 8.744 6.117 1.00 35.43 N ATOM 0 H HIS A 89 7.618 7.831 4.550 1.00 24.43 H new ATOM 0 HA HIS A 89 6.153 9.509 6.474 1.00 44.22 H new ATOM 0 HB2 HIS A 89 5.286 9.600 4.236 1.00 2.42 H new ATOM 0 HB3 HIS A 89 5.388 7.861 4.044 1.00 2.42 H new ATOM 0 HD2 HIS A 89 3.312 10.277 6.420 1.00 22.43 H new ATOM 0 HE1 HIS A 89 1.008 6.907 5.357 1.00 44.23 H new ATOM 0 HE2 HIS A 89 0.975 9.106 6.635 1.00 35.43 H new ATOM 1306 N ALA A 90 6.162 6.230 6.332 1.00 12.21 N ATOM 1307 CA ALA A 90 5.872 5.067 7.114 1.00 21.10 C ATOM 1308 C ALA A 90 6.643 3.891 6.610 1.00 1.34 C ATOM 1309 O ALA A 90 7.145 3.895 5.475 1.00 32.41 O ATOM 1310 CB ALA A 90 4.373 4.759 7.071 1.00 43.34 C ATOM 0 H ALA A 90 6.522 6.043 5.396 1.00 12.21 H new ATOM 0 HA ALA A 90 6.166 5.266 8.145 1.00 21.10 H new ATOM 0 HB1 ALA A 90 4.166 3.872 7.670 1.00 43.34 H new ATOM 0 HB2 ALA A 90 3.816 5.606 7.472 1.00 43.34 H new ATOM 0 HB3 ALA A 90 4.068 4.580 6.040 1.00 43.34 H new ATOM 1316 N GLU A 91 6.771 2.917 7.445 1.00 12.23 N ATOM 1317 CA GLU A 91 7.370 1.670 7.068 1.00 54.02 C ATOM 1318 C GLU A 91 6.417 0.509 7.347 1.00 55.21 C ATOM 1319 O GLU A 91 5.770 0.437 8.401 1.00 72.14 O ATOM 1320 CB GLU A 91 8.762 1.450 7.705 1.00 21.21 C ATOM 1321 CG GLU A 91 8.812 1.528 9.225 1.00 24.42 C ATOM 1322 CD GLU A 91 10.193 1.222 9.772 1.00 63.01 C ATOM 1323 OE1 GLU A 91 11.100 2.078 9.667 1.00 13.22 O ATOM 1324 OE2 GLU A 91 10.403 0.117 10.310 1.00 52.51 O ATOM 0 H GLU A 91 6.463 2.958 8.416 1.00 12.23 H new ATOM 0 HA GLU A 91 7.547 1.711 5.993 1.00 54.02 H new ATOM 0 HB2 GLU A 91 9.132 0.472 7.397 1.00 21.21 H new ATOM 0 HB3 GLU A 91 9.449 2.192 7.299 1.00 21.21 H new ATOM 0 HG2 GLU A 91 8.509 2.525 9.546 1.00 24.42 H new ATOM 0 HG3 GLU A 91 8.093 0.826 9.646 1.00 24.42 H new ATOM 1331 N PHE A 92 6.306 -0.353 6.386 1.00 50.13 N ATOM 1332 CA PHE A 92 5.478 -1.524 6.454 1.00 23.43 C ATOM 1333 C PHE A 92 6.407 -2.691 6.638 1.00 24.53 C ATOM 1334 O PHE A 92 7.241 -2.968 5.772 1.00 61.10 O ATOM 1335 CB PHE A 92 4.679 -1.704 5.144 1.00 34.13 C ATOM 1336 CG PHE A 92 3.689 -0.602 4.830 1.00 15.22 C ATOM 1337 CD1 PHE A 92 4.113 0.631 4.352 1.00 15.23 C ATOM 1338 CD2 PHE A 92 2.336 -0.808 5.012 1.00 35.13 C ATOM 1339 CE1 PHE A 92 3.200 1.630 4.065 1.00 41.54 C ATOM 1340 CE2 PHE A 92 1.419 0.187 4.725 1.00 41.14 C ATOM 1341 CZ PHE A 92 1.852 1.408 4.253 1.00 41.23 C ATOM 0 H PHE A 92 6.805 -0.261 5.501 1.00 50.13 H new ATOM 0 HA PHE A 92 4.761 -1.442 7.271 1.00 23.43 H new ATOM 0 HB2 PHE A 92 5.384 -1.782 4.316 1.00 34.13 H new ATOM 0 HB3 PHE A 92 4.140 -2.650 5.194 1.00 34.13 H new ATOM 0 HD1 PHE A 92 5.167 0.812 4.203 1.00 15.23 H new ATOM 0 HD2 PHE A 92 1.988 -1.760 5.384 1.00 35.13 H new ATOM 0 HE1 PHE A 92 3.543 2.584 3.694 1.00 41.54 H new ATOM 0 HE2 PHE A 92 0.364 0.008 4.871 1.00 41.14 H new ATOM 0 HZ PHE A 92 1.138 2.188 4.031 1.00 41.23 H new ATOM 1351 N ARG A 93 6.315 -3.344 7.739 1.00 51.44 N ATOM 1352 CA ARG A 93 7.229 -4.401 8.020 1.00 60.23 C ATOM 1353 C ARG A 93 6.523 -5.733 8.032 1.00 70.11 C ATOM 1354 O ARG A 93 5.446 -5.878 8.613 1.00 11.12 O ATOM 1355 CB ARG A 93 7.966 -4.137 9.323 1.00 70.32 C ATOM 1356 CG ARG A 93 9.084 -5.115 9.597 1.00 20.53 C ATOM 1357 CD ARG A 93 9.889 -4.695 10.802 1.00 31.14 C ATOM 1358 NE ARG A 93 10.465 -3.353 10.624 1.00 64.44 N ATOM 1359 CZ ARG A 93 11.768 -3.085 10.491 1.00 50.34 C ATOM 1360 NH1 ARG A 93 12.670 -4.068 10.562 1.00 61.51 N ATOM 1361 NH2 ARG A 93 12.164 -1.836 10.295 1.00 25.11 N ATOM 0 H ARG A 93 5.618 -3.169 8.463 1.00 51.44 H new ATOM 0 HA ARG A 93 7.973 -4.439 7.224 1.00 60.23 H new ATOM 0 HB2 ARG A 93 8.376 -3.127 9.300 1.00 70.32 H new ATOM 0 HB3 ARG A 93 7.253 -4.173 10.147 1.00 70.32 H new ATOM 0 HG2 ARG A 93 8.669 -6.110 9.761 1.00 20.53 H new ATOM 0 HG3 ARG A 93 9.735 -5.181 8.726 1.00 20.53 H new ATOM 0 HD2 ARG A 93 9.253 -4.705 11.687 1.00 31.14 H new ATOM 0 HD3 ARG A 93 10.688 -5.415 10.976 1.00 31.14 H new ATOM 0 HE ARG A 93 9.819 -2.564 10.600 1.00 64.44 H new ATOM 0 HH11 ARG A 93 12.366 -5.029 10.718 1.00 61.51 H new ATOM 0 HH12 ARG A 93 13.663 -3.858 10.460 1.00 61.51 H new ATOM 0 HH21 ARG A 93 11.476 -1.085 10.246 1.00 25.11 H new ATOM 0 HH22 ARG A 93 13.157 -1.626 10.193 1.00 25.11 H new ATOM 1375 N ILE A 94 7.118 -6.679 7.381 1.00 2.34 N ATOM 1376 CA ILE A 94 6.575 -7.987 7.258 1.00 74.41 C ATOM 1377 C ILE A 94 7.346 -8.905 8.189 1.00 40.35 C ATOM 1378 O ILE A 94 8.576 -9.001 8.105 1.00 42.43 O ATOM 1379 CB ILE A 94 6.682 -8.547 5.785 1.00 34.00 C ATOM 1380 CG1 ILE A 94 5.930 -7.676 4.742 1.00 54.13 C ATOM 1381 CG2 ILE A 94 6.154 -9.978 5.716 1.00 10.40 C ATOM 1382 CD1 ILE A 94 6.525 -6.308 4.432 1.00 24.35 C ATOM 0 H ILE A 94 8.015 -6.558 6.910 1.00 2.34 H new ATOM 0 HA ILE A 94 5.517 -7.944 7.515 1.00 74.41 H new ATOM 0 HB ILE A 94 7.742 -8.521 5.530 1.00 34.00 H new ATOM 0 HG12 ILE A 94 5.869 -8.239 3.811 1.00 54.13 H new ATOM 0 HG13 ILE A 94 4.909 -7.530 5.094 1.00 54.13 H new ATOM 0 HG21 ILE A 94 6.236 -10.347 4.694 1.00 10.40 H new ATOM 0 HG22 ILE A 94 6.740 -10.614 6.379 1.00 10.40 H new ATOM 0 HG23 ILE A 94 5.109 -9.996 6.026 1.00 10.40 H new ATOM 0 HD11 ILE A 94 5.907 -5.802 3.690 1.00 24.35 H new ATOM 0 HD12 ILE A 94 6.560 -5.711 5.344 1.00 24.35 H new ATOM 0 HD13 ILE A 94 7.535 -6.431 4.040 1.00 24.35 H new ATOM 1394 N ASN A 95 6.654 -9.519 9.100 1.00 11.23 N ATOM 1395 CA ASN A 95 7.263 -10.474 9.983 1.00 50.22 C ATOM 1396 C ASN A 95 6.509 -11.751 9.842 1.00 33.51 C ATOM 1397 O ASN A 95 5.328 -11.793 10.161 1.00 14.40 O ATOM 1398 CB ASN A 95 7.160 -10.042 11.461 1.00 12.31 C ATOM 1399 CG ASN A 95 7.768 -8.696 11.786 1.00 71.32 C ATOM 1400 OD1 ASN A 95 8.962 -8.589 12.066 1.00 71.32 O ATOM 1401 ND2 ASN A 95 6.946 -7.675 11.798 1.00 61.05 N ATOM 0 H ASN A 95 5.656 -9.375 9.254 1.00 11.23 H new ATOM 0 HA ASN A 95 8.317 -10.567 9.721 1.00 50.22 H new ATOM 0 HB2 ASN A 95 6.108 -10.025 11.745 1.00 12.31 H new ATOM 0 HB3 ASN A 95 7.644 -10.799 12.078 1.00 12.31 H new ATOM 0 HD21 ASN A 95 7.289 -6.747 12.046 1.00 61.05 H new ATOM 0 HD22 ASN A 95 5.963 -7.809 11.559 1.00 61.05 H new ATOM 1408 N GLU A 96 7.180 -12.781 9.370 1.00 23.03 N ATOM 1409 CA GLU A 96 6.618 -14.131 9.240 1.00 71.32 C ATOM 1410 C GLU A 96 5.249 -14.146 8.519 1.00 25.50 C ATOM 1411 O GLU A 96 4.370 -14.964 8.829 1.00 53.15 O ATOM 1412 CB GLU A 96 6.529 -14.804 10.625 1.00 22.45 C ATOM 1413 CG GLU A 96 7.879 -15.192 11.253 1.00 63.33 C ATOM 1414 CD GLU A 96 8.817 -14.023 11.488 1.00 22.55 C ATOM 1415 OE1 GLU A 96 8.748 -13.397 12.569 1.00 70.55 O ATOM 1416 OE2 GLU A 96 9.619 -13.698 10.587 1.00 42.41 O ATOM 0 H GLU A 96 8.149 -12.714 9.058 1.00 23.03 H new ATOM 0 HA GLU A 96 7.296 -14.705 8.609 1.00 71.32 H new ATOM 0 HB2 GLU A 96 6.010 -14.130 11.306 1.00 22.45 H new ATOM 0 HB3 GLU A 96 5.916 -15.701 10.537 1.00 22.45 H new ATOM 0 HG2 GLU A 96 7.694 -15.691 12.204 1.00 63.33 H new ATOM 0 HG3 GLU A 96 8.374 -15.915 10.605 1.00 63.33 H new ATOM 1423 N GLY A 97 5.112 -13.299 7.514 1.00 23.42 N ATOM 1424 CA GLY A 97 3.872 -13.211 6.763 1.00 44.44 C ATOM 1425 C GLY A 97 2.837 -12.261 7.371 1.00 14.21 C ATOM 1426 O GLY A 97 1.770 -12.078 6.809 1.00 24.03 O ATOM 0 H GLY A 97 5.844 -12.662 7.199 1.00 23.42 H new ATOM 0 HA2 GLY A 97 4.097 -12.884 5.748 1.00 44.44 H new ATOM 0 HA3 GLY A 97 3.435 -14.207 6.687 1.00 44.44 H new ATOM 1430 N GLU A 98 3.141 -11.670 8.513 1.00 74.42 N ATOM 1431 CA GLU A 98 2.241 -10.709 9.126 1.00 71.43 C ATOM 1432 C GLU A 98 2.762 -9.311 8.875 1.00 53.15 C ATOM 1433 O GLU A 98 3.960 -9.066 8.956 1.00 42.30 O ATOM 1434 CB GLU A 98 2.070 -10.964 10.620 1.00 43.55 C ATOM 1435 CG GLU A 98 1.573 -12.358 10.931 1.00 34.13 C ATOM 1436 CD GLU A 98 1.126 -12.514 12.358 1.00 60.23 C ATOM 1437 OE1 GLU A 98 1.953 -12.878 13.229 1.00 32.22 O ATOM 1438 OE2 GLU A 98 -0.076 -12.318 12.628 1.00 32.33 O ATOM 0 H GLU A 98 4.002 -11.838 9.034 1.00 74.42 H new ATOM 0 HA GLU A 98 1.256 -10.819 8.673 1.00 71.43 H new ATOM 0 HB2 GLU A 98 3.025 -10.805 11.121 1.00 43.55 H new ATOM 0 HB3 GLU A 98 1.370 -10.235 11.029 1.00 43.55 H new ATOM 0 HG2 GLU A 98 0.743 -12.599 10.267 1.00 34.13 H new ATOM 0 HG3 GLU A 98 2.366 -13.076 10.723 1.00 34.13 H new ATOM 1445 N PHE A 99 1.877 -8.404 8.572 1.00 71.42 N ATOM 1446 CA PHE A 99 2.257 -7.067 8.161 1.00 10.41 C ATOM 1447 C PHE A 99 1.940 -6.047 9.243 1.00 20.15 C ATOM 1448 O PHE A 99 0.787 -5.925 9.672 1.00 63.12 O ATOM 1449 CB PHE A 99 1.499 -6.692 6.873 1.00 15.10 C ATOM 1450 CG PHE A 99 1.772 -7.588 5.683 1.00 64.43 C ATOM 1451 CD1 PHE A 99 1.249 -8.875 5.620 1.00 12.31 C ATOM 1452 CD2 PHE A 99 2.549 -7.141 4.632 1.00 72.32 C ATOM 1453 CE1 PHE A 99 1.501 -9.689 4.540 1.00 70.41 C ATOM 1454 CE2 PHE A 99 2.801 -7.957 3.545 1.00 70.04 C ATOM 1455 CZ PHE A 99 2.279 -9.232 3.502 1.00 24.20 C ATOM 0 H PHE A 99 0.870 -8.563 8.600 1.00 71.42 H new ATOM 0 HA PHE A 99 3.332 -7.058 7.983 1.00 10.41 H new ATOM 0 HB2 PHE A 99 0.429 -6.707 7.082 1.00 15.10 H new ATOM 0 HB3 PHE A 99 1.756 -5.668 6.604 1.00 15.10 H new ATOM 0 HD1 PHE A 99 0.636 -9.241 6.431 1.00 12.31 H new ATOM 0 HD2 PHE A 99 2.964 -6.144 4.660 1.00 72.32 H new ATOM 0 HE1 PHE A 99 1.088 -10.686 4.507 1.00 70.41 H new ATOM 0 HE2 PHE A 99 3.408 -7.595 2.728 1.00 70.04 H new ATOM 0 HZ PHE A 99 2.481 -9.871 2.655 1.00 24.20 H new ATOM 1465 N GLU A 100 2.939 -5.325 9.683 1.00 15.22 N ATOM 1466 CA GLU A 100 2.734 -4.275 10.647 1.00 5.40 C ATOM 1467 C GLU A 100 3.066 -2.940 9.992 1.00 15.11 C ATOM 1468 O GLU A 100 4.020 -2.844 9.210 1.00 15.20 O ATOM 1469 CB GLU A 100 3.575 -4.483 11.929 1.00 23.21 C ATOM 1470 CG GLU A 100 5.089 -4.398 11.735 1.00 42.41 C ATOM 1471 CD GLU A 100 5.858 -4.531 13.029 1.00 55.55 C ATOM 1472 OE1 GLU A 100 5.447 -3.926 14.048 1.00 0.14 O ATOM 1473 OE2 GLU A 100 6.880 -5.254 13.063 1.00 10.44 O ATOM 0 H GLU A 100 3.907 -5.446 9.387 1.00 15.22 H new ATOM 0 HA GLU A 100 1.690 -4.290 10.960 1.00 5.40 H new ATOM 0 HB2 GLU A 100 3.277 -3.737 12.665 1.00 23.21 H new ATOM 0 HB3 GLU A 100 3.333 -5.459 12.349 1.00 23.21 H new ATOM 0 HG2 GLU A 100 5.406 -5.182 11.048 1.00 42.41 H new ATOM 0 HG3 GLU A 100 5.337 -3.445 11.268 1.00 42.41 H new ATOM 1480 N VAL A 101 2.276 -1.946 10.258 1.00 22.24 N ATOM 1481 CA VAL A 101 2.515 -0.637 9.708 1.00 4.24 C ATOM 1482 C VAL A 101 2.962 0.259 10.823 1.00 2.14 C ATOM 1483 O VAL A 101 2.272 0.377 11.842 1.00 65.21 O ATOM 1484 CB VAL A 101 1.221 -0.035 9.098 1.00 4.45 C ATOM 1485 CG1 VAL A 101 1.495 1.309 8.426 1.00 52.43 C ATOM 1486 CG2 VAL A 101 0.586 -0.997 8.126 1.00 74.14 C ATOM 0 H VAL A 101 1.453 -2.012 10.857 1.00 22.24 H new ATOM 0 HA VAL A 101 3.266 -0.719 8.923 1.00 4.24 H new ATOM 0 HB VAL A 101 0.521 0.138 9.916 1.00 4.45 H new ATOM 0 HG11 VAL A 101 0.568 1.703 8.009 1.00 52.43 H new ATOM 0 HG12 VAL A 101 1.889 2.010 9.162 1.00 52.43 H new ATOM 0 HG13 VAL A 101 2.224 1.174 7.627 1.00 52.43 H new ATOM 0 HG21 VAL A 101 -0.319 -0.552 7.712 1.00 74.14 H new ATOM 0 HG22 VAL A 101 1.286 -1.213 7.319 1.00 74.14 H new ATOM 0 HG23 VAL A 101 0.332 -1.922 8.643 1.00 74.14 H new ATOM 1496 N VAL A 102 4.106 0.845 10.671 1.00 60.44 N ATOM 1497 CA VAL A 102 4.587 1.797 11.621 1.00 4.11 C ATOM 1498 C VAL A 102 4.774 3.106 10.886 1.00 22.13 C ATOM 1499 O VAL A 102 5.523 3.163 9.908 1.00 42.43 O ATOM 1500 CB VAL A 102 5.947 1.351 12.238 1.00 40.02 C ATOM 1501 CG1 VAL A 102 6.428 2.343 13.289 1.00 24.41 C ATOM 1502 CG2 VAL A 102 5.847 -0.045 12.833 1.00 51.12 C ATOM 0 H VAL A 102 4.734 0.677 9.885 1.00 60.44 H new ATOM 0 HA VAL A 102 3.873 1.892 12.439 1.00 4.11 H new ATOM 0 HB VAL A 102 6.680 1.328 11.431 1.00 40.02 H new ATOM 0 HG11 VAL A 102 7.379 2.004 13.701 1.00 24.41 H new ATOM 0 HG12 VAL A 102 6.560 3.323 12.831 1.00 24.41 H new ATOM 0 HG13 VAL A 102 5.690 2.412 14.088 1.00 24.41 H new ATOM 0 HG21 VAL A 102 6.810 -0.330 13.256 1.00 51.12 H new ATOM 0 HG22 VAL A 102 5.090 -0.053 13.617 1.00 51.12 H new ATOM 0 HG23 VAL A 102 5.569 -0.754 12.053 1.00 51.12 H new ATOM 1512 N ASP A 103 4.121 4.122 11.325 1.00 10.10 N ATOM 1513 CA ASP A 103 4.250 5.413 10.705 1.00 4.22 C ATOM 1514 C ASP A 103 5.231 6.223 11.524 1.00 51.44 C ATOM 1515 O ASP A 103 5.412 5.952 12.723 1.00 1.24 O ATOM 1516 CB ASP A 103 2.891 6.112 10.645 1.00 33.52 C ATOM 1517 CG ASP A 103 2.921 7.388 9.851 1.00 22.54 C ATOM 1518 OD1 ASP A 103 3.403 8.400 10.365 1.00 51.50 O ATOM 1519 OD2 ASP A 103 2.420 7.408 8.742 1.00 4.50 O ATOM 0 H ASP A 103 3.482 4.094 12.120 1.00 10.10 H new ATOM 0 HA ASP A 103 4.612 5.309 9.682 1.00 4.22 H new ATOM 0 HB2 ASP A 103 2.159 5.434 10.205 1.00 33.52 H new ATOM 0 HB3 ASP A 103 2.555 6.329 11.659 1.00 33.52 H new ATOM 1524 N VAL A 104 5.886 7.173 10.911 1.00 34.12 N ATOM 1525 CA VAL A 104 6.864 7.981 11.619 1.00 53.21 C ATOM 1526 C VAL A 104 6.226 9.094 12.495 1.00 24.52 C ATOM 1527 O VAL A 104 6.927 9.716 13.317 1.00 65.02 O ATOM 1528 CB VAL A 104 7.955 8.568 10.681 1.00 13.32 C ATOM 1529 CG1 VAL A 104 8.647 7.455 9.904 1.00 2.33 C ATOM 1530 CG2 VAL A 104 7.382 9.594 9.736 1.00 0.05 C ATOM 0 H VAL A 104 5.766 7.412 9.927 1.00 34.12 H new ATOM 0 HA VAL A 104 7.357 7.286 12.299 1.00 53.21 H new ATOM 0 HB VAL A 104 8.692 9.071 11.307 1.00 13.32 H new ATOM 0 HG11 VAL A 104 9.408 7.885 9.252 1.00 2.33 H new ATOM 0 HG12 VAL A 104 9.116 6.762 10.602 1.00 2.33 H new ATOM 0 HG13 VAL A 104 7.912 6.921 9.301 1.00 2.33 H new ATOM 0 HG21 VAL A 104 8.175 9.982 9.096 1.00 0.05 H new ATOM 0 HG22 VAL A 104 6.612 9.131 9.119 1.00 0.05 H new ATOM 0 HG23 VAL A 104 6.945 10.412 10.309 1.00 0.05 H new ATOM 1540 N GLY A 105 4.925 9.364 12.325 1.00 4.31 N ATOM 1541 CA GLY A 105 4.279 10.338 13.207 1.00 51.20 C ATOM 1542 C GLY A 105 2.918 10.877 12.735 1.00 54.43 C ATOM 1543 O GLY A 105 2.466 11.914 13.224 1.00 50.30 O ATOM 0 H GLY A 105 4.323 8.942 11.617 1.00 4.31 H new ATOM 0 HA2 GLY A 105 4.146 9.879 14.187 1.00 51.20 H new ATOM 0 HA3 GLY A 105 4.955 11.182 13.340 1.00 51.20 H new ATOM 1547 N SER A 106 2.271 10.186 11.792 1.00 41.10 N ATOM 1548 CA SER A 106 0.950 10.539 11.213 1.00 63.52 C ATOM 1549 C SER A 106 0.968 11.935 10.584 1.00 14.54 C ATOM 1550 O SER A 106 -0.066 12.585 10.394 1.00 44.22 O ATOM 1551 CB SER A 106 -0.221 10.337 12.226 1.00 22.33 C ATOM 1552 OG SER A 106 -0.043 11.054 13.449 1.00 73.45 O ATOM 0 H SER A 106 2.658 9.333 11.389 1.00 41.10 H new ATOM 0 HA SER A 106 0.755 9.836 10.403 1.00 63.52 H new ATOM 0 HB2 SER A 106 -1.154 10.654 11.760 1.00 22.33 H new ATOM 0 HB3 SER A 106 -0.321 9.274 12.448 1.00 22.33 H new ATOM 0 HG SER A 106 0.678 11.709 13.342 1.00 73.45 H new ATOM 1558 N LEU A 107 2.153 12.316 10.165 1.00 45.24 N ATOM 1559 CA LEU A 107 2.450 13.630 9.633 1.00 64.44 C ATOM 1560 C LEU A 107 1.722 13.919 8.308 1.00 61.32 C ATOM 1561 O LEU A 107 1.252 15.019 8.087 1.00 21.13 O ATOM 1562 CB LEU A 107 3.999 13.868 9.566 1.00 61.25 C ATOM 1563 CG LEU A 107 4.886 13.024 8.590 1.00 35.24 C ATOM 1564 CD1 LEU A 107 4.652 11.522 8.662 1.00 60.42 C ATOM 1565 CD2 LEU A 107 4.819 13.540 7.174 1.00 53.22 C ATOM 0 H LEU A 107 2.966 11.700 10.185 1.00 45.24 H new ATOM 0 HA LEU A 107 2.048 14.367 10.329 1.00 64.44 H new ATOM 0 HB2 LEU A 107 4.154 14.918 9.317 1.00 61.25 H new ATOM 0 HB3 LEU A 107 4.392 13.718 10.571 1.00 61.25 H new ATOM 0 HG LEU A 107 5.906 13.165 8.947 1.00 35.24 H new ATOM 0 HD11 LEU A 107 5.308 11.017 7.953 1.00 60.42 H new ATOM 0 HD12 LEU A 107 4.867 11.168 9.670 1.00 60.42 H new ATOM 0 HD13 LEU A 107 3.613 11.303 8.414 1.00 60.42 H new ATOM 0 HD21 LEU A 107 5.449 12.924 6.532 1.00 53.22 H new ATOM 0 HD22 LEU A 107 3.789 13.497 6.820 1.00 53.22 H new ATOM 0 HD23 LEU A 107 5.170 14.572 7.146 1.00 53.22 H new ATOM 1577 N ASN A 108 1.560 12.899 7.481 1.00 21.25 N ATOM 1578 CA ASN A 108 0.837 13.051 6.206 1.00 62.04 C ATOM 1579 C ASN A 108 -0.639 12.851 6.414 1.00 51.23 C ATOM 1580 O ASN A 108 -1.402 12.856 5.467 1.00 73.02 O ATOM 1581 CB ASN A 108 1.323 12.072 5.110 1.00 21.43 C ATOM 1582 CG ASN A 108 2.397 12.635 4.186 1.00 5.24 C ATOM 1583 OD1 ASN A 108 3.602 12.520 4.432 1.00 64.31 O ATOM 1584 ND2 ASN A 108 1.963 13.207 3.097 1.00 15.44 N ATOM 0 H ASN A 108 1.913 11.958 7.658 1.00 21.25 H new ATOM 0 HA ASN A 108 1.043 14.064 5.861 1.00 62.04 H new ATOM 0 HB2 ASN A 108 1.710 11.173 5.590 1.00 21.43 H new ATOM 0 HB3 ASN A 108 0.467 11.768 4.508 1.00 21.43 H new ATOM 0 HD21 ASN A 108 2.626 13.577 2.416 1.00 15.44 H new ATOM 0 HD22 ASN A 108 0.960 13.285 2.926 1.00 15.44 H new ATOM 1591 N GLY A 109 -1.025 12.662 7.661 1.00 75.00 N ATOM 1592 CA GLY A 109 -2.398 12.409 7.981 1.00 24.23 C ATOM 1593 C GLY A 109 -2.727 10.982 7.713 1.00 24.50 C ATOM 1594 O GLY A 109 -3.706 10.678 7.050 1.00 2.14 O ATOM 0 H GLY A 109 -0.397 12.681 8.465 1.00 75.00 H new ATOM 0 HA2 GLY A 109 -2.585 12.644 9.029 1.00 24.23 H new ATOM 0 HA3 GLY A 109 -3.044 13.057 7.389 1.00 24.23 H new ATOM 1598 N THR A 110 -1.882 10.119 8.221 1.00 43.21 N ATOM 1599 CA THR A 110 -1.990 8.711 8.036 1.00 51.22 C ATOM 1600 C THR A 110 -3.293 8.182 8.623 1.00 40.20 C ATOM 1601 O THR A 110 -3.644 8.458 9.795 1.00 15.43 O ATOM 1602 CB THR A 110 -0.829 8.065 8.765 1.00 32.41 C ATOM 1603 OG1 THR A 110 0.349 8.861 8.503 1.00 44.13 O ATOM 1604 CG2 THR A 110 -0.614 6.634 8.270 1.00 0.44 C ATOM 0 H THR A 110 -1.081 10.395 8.789 1.00 43.21 H new ATOM 0 HA THR A 110 -1.976 8.481 6.971 1.00 51.22 H new ATOM 0 HB THR A 110 -1.034 8.020 9.835 1.00 32.41 H new ATOM 0 HG1 THR A 110 1.077 8.278 8.203 1.00 44.13 H new ATOM 0 HG21 THR A 110 0.224 6.186 8.805 1.00 0.44 H new ATOM 0 HG22 THR A 110 -1.515 6.047 8.450 1.00 0.44 H new ATOM 0 HG23 THR A 110 -0.397 6.647 7.202 1.00 0.44 H new ATOM 1612 N TYR A 111 -3.987 7.430 7.826 1.00 41.43 N ATOM 1613 CA TYR A 111 -5.224 6.855 8.209 1.00 10.14 C ATOM 1614 C TYR A 111 -5.090 5.358 7.976 1.00 52.20 C ATOM 1615 O TYR A 111 -4.737 4.933 6.893 1.00 32.14 O ATOM 1616 CB TYR A 111 -6.298 7.453 7.300 1.00 53.04 C ATOM 1617 CG TYR A 111 -7.568 7.936 7.962 1.00 71.51 C ATOM 1618 CD1 TYR A 111 -7.534 8.657 9.149 1.00 43.41 C ATOM 1619 CD2 TYR A 111 -8.802 7.725 7.362 1.00 50.42 C ATOM 1620 CE1 TYR A 111 -8.690 9.143 9.723 1.00 73.44 C ATOM 1621 CE2 TYR A 111 -9.964 8.206 7.933 1.00 64.45 C ATOM 1622 CZ TYR A 111 -9.901 8.916 9.114 1.00 53.33 C ATOM 1623 OH TYR A 111 -11.055 9.396 9.686 1.00 34.32 O ATOM 0 H TYR A 111 -3.698 7.199 6.875 1.00 41.43 H new ATOM 0 HA TYR A 111 -5.488 7.046 9.249 1.00 10.14 H new ATOM 0 HB2 TYR A 111 -5.857 8.292 6.761 1.00 53.04 H new ATOM 0 HB3 TYR A 111 -6.568 6.703 6.556 1.00 53.04 H new ATOM 0 HD1 TYR A 111 -6.585 8.840 9.631 1.00 43.41 H new ATOM 0 HD2 TYR A 111 -8.854 7.176 6.434 1.00 50.42 H new ATOM 0 HE1 TYR A 111 -8.644 9.700 10.647 1.00 73.44 H new ATOM 0 HE2 TYR A 111 -10.917 8.027 7.457 1.00 64.45 H new ATOM 0 HH TYR A 111 -11.576 9.882 9.013 1.00 34.32 H new ATOM 1633 N VAL A 112 -5.345 4.586 8.974 1.00 64.44 N ATOM 1634 CA VAL A 112 -5.233 3.140 8.907 1.00 0.43 C ATOM 1635 C VAL A 112 -6.522 2.584 9.429 1.00 1.44 C ATOM 1636 O VAL A 112 -6.918 2.947 10.550 1.00 34.11 O ATOM 1637 CB VAL A 112 -4.064 2.621 9.817 1.00 23.01 C ATOM 1638 CG1 VAL A 112 -4.001 1.095 9.843 1.00 11.15 C ATOM 1639 CG2 VAL A 112 -2.720 3.199 9.386 1.00 65.40 C ATOM 0 H VAL A 112 -5.644 4.932 9.885 1.00 64.44 H new ATOM 0 HA VAL A 112 -5.030 2.831 7.882 1.00 0.43 H new ATOM 0 HB VAL A 112 -4.277 2.967 10.828 1.00 23.01 H new ATOM 0 HG11 VAL A 112 -3.179 0.776 10.484 1.00 11.15 H new ATOM 0 HG12 VAL A 112 -4.939 0.699 10.232 1.00 11.15 H new ATOM 0 HG13 VAL A 112 -3.840 0.720 8.832 1.00 11.15 H new ATOM 0 HG21 VAL A 112 -1.934 2.818 10.038 1.00 65.40 H new ATOM 0 HG22 VAL A 112 -2.511 2.906 8.357 1.00 65.40 H new ATOM 0 HG23 VAL A 112 -2.753 4.286 9.454 1.00 65.40 H new ATOM 1649 N ASN A 113 -7.201 1.735 8.638 1.00 2.53 N ATOM 1650 CA ASN A 113 -8.497 1.150 9.037 1.00 3.10 C ATOM 1651 C ASN A 113 -9.464 2.300 9.320 1.00 42.23 C ATOM 1652 O ASN A 113 -10.338 2.231 10.177 1.00 40.52 O ATOM 1653 CB ASN A 113 -8.281 0.280 10.318 1.00 65.31 C ATOM 1654 CG ASN A 113 -9.496 -0.520 10.772 1.00 42.40 C ATOM 1655 OD1 ASN A 113 -9.727 -0.678 11.978 1.00 53.21 O ATOM 1656 ND2 ASN A 113 -10.200 -1.118 9.858 1.00 62.34 N ATOM 0 H ASN A 113 -6.875 1.437 7.718 1.00 2.53 H new ATOM 0 HA ASN A 113 -8.907 0.516 8.251 1.00 3.10 H new ATOM 0 HB2 ASN A 113 -7.459 -0.412 10.134 1.00 65.31 H new ATOM 0 HB3 ASN A 113 -7.971 0.933 11.133 1.00 65.31 H new ATOM 0 HD21 ASN A 113 -10.965 -1.736 10.127 1.00 62.34 H new ATOM 0 HD22 ASN A 113 -9.987 -0.969 8.872 1.00 62.34 H new ATOM 1663 N ARG A 114 -9.330 3.338 8.491 1.00 5.05 N ATOM 1664 CA ARG A 114 -10.116 4.559 8.576 1.00 13.33 C ATOM 1665 C ARG A 114 -9.983 5.306 9.921 1.00 14.03 C ATOM 1666 O ARG A 114 -10.790 6.163 10.225 1.00 24.43 O ATOM 1667 CB ARG A 114 -11.581 4.324 8.201 1.00 43.11 C ATOM 1668 CG ARG A 114 -11.844 4.146 6.703 1.00 60.22 C ATOM 1669 CD ARG A 114 -11.217 2.892 6.087 1.00 52.33 C ATOM 1670 NE ARG A 114 -11.768 1.654 6.642 1.00 44.54 N ATOM 1671 CZ ARG A 114 -12.069 0.550 5.934 1.00 51.33 C ATOM 1672 NH1 ARG A 114 -11.972 0.546 4.595 1.00 63.35 N ATOM 1673 NH2 ARG A 114 -12.499 -0.534 6.576 1.00 21.21 N ATOM 0 H ARG A 114 -8.655 3.347 7.726 1.00 5.05 H new ATOM 0 HA ARG A 114 -9.682 5.227 7.832 1.00 13.33 H new ATOM 0 HB2 ARG A 114 -11.937 3.437 8.725 1.00 43.11 H new ATOM 0 HB3 ARG A 114 -12.172 5.166 8.561 1.00 43.11 H new ATOM 0 HG2 ARG A 114 -12.921 4.115 6.538 1.00 60.22 H new ATOM 0 HG3 ARG A 114 -11.466 5.021 6.175 1.00 60.22 H new ATOM 0 HD2 ARG A 114 -11.375 2.904 5.009 1.00 52.33 H new ATOM 0 HD3 ARG A 114 -10.140 2.911 6.251 1.00 52.33 H new ATOM 0 HE ARG A 114 -11.937 1.626 7.647 1.00 44.54 H new ATOM 0 HH11 ARG A 114 -11.667 1.386 4.103 1.00 63.35 H new ATOM 0 HH12 ARG A 114 -12.203 -0.297 4.069 1.00 63.35 H new ATOM 0 HH21 ARG A 114 -12.597 -0.520 7.591 1.00 21.21 H new ATOM 0 HH22 ARG A 114 -12.731 -1.378 6.053 1.00 21.21 H new ATOM 1687 N GLU A 115 -8.946 5.019 10.679 1.00 33.14 N ATOM 1688 CA GLU A 115 -8.692 5.710 11.935 1.00 43.42 C ATOM 1689 C GLU A 115 -7.278 6.289 11.890 1.00 33.22 C ATOM 1690 O GLU A 115 -6.414 5.717 11.232 1.00 32.02 O ATOM 1691 CB GLU A 115 -8.784 4.731 13.118 1.00 32.02 C ATOM 1692 CG GLU A 115 -10.132 4.049 13.301 1.00 20.35 C ATOM 1693 CD GLU A 115 -11.261 5.010 13.584 1.00 74.33 C ATOM 1694 OE1 GLU A 115 -11.258 5.647 14.660 1.00 70.51 O ATOM 1695 OE2 GLU A 115 -12.200 5.116 12.758 1.00 72.22 O ATOM 0 H GLU A 115 -8.256 4.305 10.448 1.00 33.14 H new ATOM 0 HA GLU A 115 -9.434 6.497 12.067 1.00 43.42 H new ATOM 0 HB2 GLU A 115 -8.022 3.962 12.991 1.00 32.02 H new ATOM 0 HB3 GLU A 115 -8.542 5.271 14.033 1.00 32.02 H new ATOM 0 HG2 GLU A 115 -10.367 3.480 12.402 1.00 20.35 H new ATOM 0 HG3 GLU A 115 -10.060 3.334 14.121 1.00 20.35 H new ATOM 1702 N PRO A 116 -7.018 7.435 12.527 1.00 73.40 N ATOM 1703 CA PRO A 116 -5.661 7.967 12.610 1.00 5.22 C ATOM 1704 C PRO A 116 -4.840 7.062 13.527 1.00 14.44 C ATOM 1705 O PRO A 116 -5.275 6.745 14.638 1.00 0.40 O ATOM 1706 CB PRO A 116 -5.843 9.361 13.221 1.00 23.25 C ATOM 1707 CG PRO A 116 -7.162 9.320 13.924 1.00 25.32 C ATOM 1708 CD PRO A 116 -8.004 8.290 13.217 1.00 60.10 C ATOM 0 HA PRO A 116 -5.142 8.015 11.653 1.00 5.22 H new ATOM 0 HB2 PRO A 116 -5.035 9.594 13.915 1.00 23.25 H new ATOM 0 HB3 PRO A 116 -5.833 10.132 12.450 1.00 23.25 H new ATOM 0 HG2 PRO A 116 -7.032 9.057 14.974 1.00 25.32 H new ATOM 0 HG3 PRO A 116 -7.644 10.297 13.897 1.00 25.32 H new ATOM 0 HD2 PRO A 116 -8.607 7.716 13.921 1.00 60.10 H new ATOM 0 HD3 PRO A 116 -8.693 8.754 12.511 1.00 60.10 H new ATOM 1716 N ARG A 117 -3.685 6.631 13.086 1.00 40.54 N ATOM 1717 CA ARG A 117 -2.957 5.639 13.842 1.00 4.24 C ATOM 1718 C ARG A 117 -1.452 5.839 13.661 1.00 63.41 C ATOM 1719 O ARG A 117 -1.022 6.336 12.622 1.00 23.31 O ATOM 1720 CB ARG A 117 -3.390 4.256 13.324 1.00 64.33 C ATOM 1721 CG ARG A 117 -3.034 3.078 14.205 1.00 3.14 C ATOM 1722 CD ARG A 117 -3.726 3.159 15.558 1.00 24.31 C ATOM 1723 NE ARG A 117 -5.188 3.174 15.446 1.00 31.43 N ATOM 1724 CZ ARG A 117 -6.020 3.851 16.255 1.00 4.52 C ATOM 1725 NH1 ARG A 117 -5.538 4.567 17.268 1.00 24.22 N ATOM 1726 NH2 ARG A 117 -7.331 3.779 16.069 1.00 21.11 N ATOM 0 H ARG A 117 -3.234 6.942 12.226 1.00 40.54 H new ATOM 0 HA ARG A 117 -3.173 5.727 14.907 1.00 4.24 H new ATOM 0 HB2 ARG A 117 -4.471 4.265 13.182 1.00 64.33 H new ATOM 0 HB3 ARG A 117 -2.941 4.100 12.343 1.00 64.33 H new ATOM 0 HG2 ARG A 117 -3.317 2.151 13.706 1.00 3.14 H new ATOM 0 HG3 ARG A 117 -1.954 3.045 14.350 1.00 3.14 H new ATOM 0 HD2 ARG A 117 -3.421 2.309 16.169 1.00 24.31 H new ATOM 0 HD3 ARG A 117 -3.396 4.059 16.077 1.00 24.31 H new ATOM 0 HE ARG A 117 -5.607 2.627 14.694 1.00 31.43 H new ATOM 0 HH11 ARG A 117 -4.532 4.604 17.433 1.00 24.22 H new ATOM 0 HH12 ARG A 117 -6.174 5.079 17.879 1.00 24.22 H new ATOM 0 HH21 ARG A 117 -7.708 3.209 15.312 1.00 21.11 H new ATOM 0 HH22 ARG A 117 -7.962 4.293 16.683 1.00 21.11 H new ATOM 1740 N ASN A 118 -0.674 5.475 14.677 1.00 32.34 N ATOM 1741 CA ASN A 118 0.785 5.578 14.615 1.00 40.10 C ATOM 1742 C ASN A 118 1.370 4.252 14.152 1.00 23.10 C ATOM 1743 O ASN A 118 2.101 4.192 13.179 1.00 42.11 O ATOM 1744 CB ASN A 118 1.371 5.951 15.992 1.00 54.41 C ATOM 1745 CG ASN A 118 2.895 6.148 15.987 1.00 60.44 C ATOM 1746 OD1 ASN A 118 3.437 6.699 14.928 1.00 4.40 O flip ATOM 1747 ND2 ASN A 118 3.564 5.861 16.976 1.00 2.01 N flip ATOM 0 H ASN A 118 -1.030 5.104 15.558 1.00 32.34 H new ATOM 0 HA ASN A 118 1.046 6.364 13.906 1.00 40.10 H new ATOM 0 HB2 ASN A 118 0.897 6.868 16.341 1.00 54.41 H new ATOM 0 HB3 ASN A 118 1.118 5.169 16.708 1.00 54.41 H new ATOM 0 HD21 ASN A 118 3.118 5.433 17.787 1.00 2.01 H new ATOM 0 HD22 ASN A 118 4.566 6.051 16.986 1.00 2.01 H new ATOM 1754 N ALA A 119 1.040 3.193 14.853 1.00 61.05 N ATOM 1755 CA ALA A 119 1.494 1.870 14.496 1.00 12.30 C ATOM 1756 C ALA A 119 0.354 0.897 14.683 1.00 2.11 C ATOM 1757 O ALA A 119 -0.373 0.976 15.679 1.00 3.45 O ATOM 1758 CB ALA A 119 2.698 1.471 15.340 1.00 52.22 C ATOM 0 H ALA A 119 0.451 3.224 15.685 1.00 61.05 H new ATOM 0 HA ALA A 119 1.809 1.858 13.452 1.00 12.30 H new ATOM 0 HB1 ALA A 119 3.026 0.471 15.056 1.00 52.22 H new ATOM 0 HB2 ALA A 119 3.510 2.180 15.174 1.00 52.22 H new ATOM 0 HB3 ALA A 119 2.421 1.477 16.394 1.00 52.22 H new ATOM 1764 N GLN A 120 0.169 0.021 13.731 1.00 22.05 N ATOM 1765 CA GLN A 120 -0.931 -0.926 13.765 1.00 33.41 C ATOM 1766 C GLN A 120 -0.589 -2.175 12.972 1.00 52.23 C ATOM 1767 O GLN A 120 0.098 -2.087 11.951 1.00 32.34 O ATOM 1768 CB GLN A 120 -2.184 -0.248 13.181 1.00 41.44 C ATOM 1769 CG GLN A 120 -3.452 -1.094 13.138 1.00 45.12 C ATOM 1770 CD GLN A 120 -3.933 -1.533 14.505 1.00 20.43 C ATOM 1771 OE1 GLN A 120 -3.731 -0.847 15.514 1.00 2.24 O ATOM 1772 NE2 GLN A 120 -4.550 -2.673 14.555 1.00 14.03 N ATOM 0 H GLN A 120 0.770 -0.062 12.911 1.00 22.05 H new ATOM 0 HA GLN A 120 -1.119 -1.227 14.796 1.00 33.41 H new ATOM 0 HB2 GLN A 120 -2.391 0.649 13.764 1.00 41.44 H new ATOM 0 HB3 GLN A 120 -1.955 0.077 12.166 1.00 41.44 H new ATOM 0 HG2 GLN A 120 -4.243 -0.525 12.649 1.00 45.12 H new ATOM 0 HG3 GLN A 120 -3.269 -1.977 12.525 1.00 45.12 H new ATOM 0 HE21 GLN A 120 -4.698 -3.211 13.701 1.00 14.03 H new ATOM 0 HE22 GLN A 120 -4.887 -3.032 15.448 1.00 14.03 H new ATOM 1781 N VAL A 121 -1.023 -3.326 13.444 1.00 53.20 N ATOM 1782 CA VAL A 121 -0.914 -4.528 12.651 1.00 2.43 C ATOM 1783 C VAL A 121 -2.008 -4.451 11.592 1.00 13.44 C ATOM 1784 O VAL A 121 -3.177 -4.204 11.913 1.00 42.41 O ATOM 1785 CB VAL A 121 -1.056 -5.823 13.503 1.00 51.53 C ATOM 1786 CG1 VAL A 121 -0.966 -7.069 12.621 1.00 51.15 C ATOM 1787 CG2 VAL A 121 0.021 -5.868 14.579 1.00 71.33 C ATOM 0 H VAL A 121 -1.449 -3.452 14.362 1.00 53.20 H new ATOM 0 HA VAL A 121 0.077 -4.585 12.201 1.00 2.43 H new ATOM 0 HB VAL A 121 -2.036 -5.809 13.980 1.00 51.53 H new ATOM 0 HG11 VAL A 121 -1.068 -7.961 13.239 1.00 51.15 H new ATOM 0 HG12 VAL A 121 -1.765 -7.048 11.880 1.00 51.15 H new ATOM 0 HG13 VAL A 121 -0.001 -7.087 12.114 1.00 51.15 H new ATOM 0 HG21 VAL A 121 -0.090 -6.779 15.167 1.00 71.33 H new ATOM 0 HG22 VAL A 121 1.005 -5.857 14.110 1.00 71.33 H new ATOM 0 HG23 VAL A 121 -0.080 -5.000 15.231 1.00 71.33 H new ATOM 1797 N MET A 122 -1.633 -4.630 10.359 1.00 13.52 N ATOM 1798 CA MET A 122 -2.532 -4.418 9.254 1.00 63.32 C ATOM 1799 C MET A 122 -3.280 -5.690 8.898 1.00 20.12 C ATOM 1800 O MET A 122 -2.700 -6.787 8.839 1.00 75.30 O ATOM 1801 CB MET A 122 -1.745 -3.846 8.071 1.00 3.24 C ATOM 1802 CG MET A 122 -2.538 -3.574 6.803 1.00 0.21 C ATOM 1803 SD MET A 122 -1.574 -2.635 5.587 1.00 45.32 S ATOM 1804 CE MET A 122 -0.101 -3.639 5.435 1.00 62.23 C ATOM 0 H MET A 122 -0.696 -4.927 10.087 1.00 13.52 H new ATOM 0 HA MET A 122 -3.296 -3.694 9.538 1.00 63.32 H new ATOM 0 HB2 MET A 122 -1.278 -2.914 8.389 1.00 3.24 H new ATOM 0 HB3 MET A 122 -0.940 -4.539 7.829 1.00 3.24 H new ATOM 0 HG2 MET A 122 -2.854 -4.520 6.363 1.00 0.21 H new ATOM 0 HG3 MET A 122 -3.443 -3.021 7.053 1.00 0.21 H new ATOM 0 HE1 MET A 122 0.338 -3.493 4.448 1.00 62.23 H new ATOM 0 HE2 MET A 122 0.619 -3.347 6.199 1.00 62.23 H new ATOM 0 HE3 MET A 122 -0.362 -4.689 5.565 1.00 62.23 H new ATOM 1814 N GLN A 123 -4.564 -5.543 8.692 1.00 71.21 N ATOM 1815 CA GLN A 123 -5.432 -6.645 8.383 1.00 71.14 C ATOM 1816 C GLN A 123 -5.788 -6.650 6.903 1.00 70.02 C ATOM 1817 O GLN A 123 -5.778 -5.611 6.247 1.00 72.11 O ATOM 1818 CB GLN A 123 -6.674 -6.620 9.294 1.00 62.30 C ATOM 1819 CG GLN A 123 -7.480 -5.322 9.261 1.00 12.23 C ATOM 1820 CD GLN A 123 -8.534 -5.265 10.356 1.00 72.50 C ATOM 1821 OE1 GLN A 123 -8.361 -5.848 11.428 1.00 4.44 O ATOM 1822 NE2 GLN A 123 -9.614 -4.569 10.112 1.00 30.41 N ATOM 0 H GLN A 123 -5.040 -4.642 8.735 1.00 71.21 H new ATOM 0 HA GLN A 123 -4.909 -7.581 8.582 1.00 71.14 H new ATOM 0 HB2 GLN A 123 -7.330 -7.443 9.010 1.00 62.30 H new ATOM 0 HB3 GLN A 123 -6.356 -6.805 10.320 1.00 62.30 H new ATOM 0 HG2 GLN A 123 -6.803 -4.474 9.368 1.00 12.23 H new ATOM 0 HG3 GLN A 123 -7.964 -5.223 8.289 1.00 12.23 H new ATOM 0 HE21 GLN A 123 -9.726 -4.099 9.214 1.00 30.41 H new ATOM 0 HE22 GLN A 123 -10.345 -4.497 10.820 1.00 30.41 H new ATOM 1831 N THR A 124 -6.063 -7.809 6.388 1.00 25.44 N ATOM 1832 CA THR A 124 -6.367 -8.006 5.026 1.00 14.42 C ATOM 1833 C THR A 124 -7.758 -7.467 4.664 1.00 23.11 C ATOM 1834 O THR A 124 -8.742 -7.710 5.374 1.00 54.14 O ATOM 1835 CB THR A 124 -6.252 -9.499 4.778 1.00 15.33 C ATOM 1836 OG1 THR A 124 -6.474 -10.187 6.037 1.00 21.01 O ATOM 1837 CG2 THR A 124 -4.877 -9.852 4.239 1.00 20.50 C ATOM 0 H THR A 124 -6.079 -8.669 6.936 1.00 25.44 H new ATOM 0 HA THR A 124 -5.677 -7.453 4.389 1.00 14.42 H new ATOM 0 HB THR A 124 -6.993 -9.803 4.038 1.00 15.33 H new ATOM 0 HG1 THR A 124 -5.969 -11.027 6.044 1.00 21.01 H new ATOM 0 HG21 THR A 124 -4.818 -10.927 4.069 1.00 20.50 H new ATOM 0 HG22 THR A 124 -4.709 -9.326 3.299 1.00 20.50 H new ATOM 0 HG23 THR A 124 -4.116 -9.557 4.961 1.00 20.50 H new ATOM 1845 N GLY A 125 -7.818 -6.690 3.598 1.00 52.31 N ATOM 1846 CA GLY A 125 -9.063 -6.106 3.159 1.00 55.42 C ATOM 1847 C GLY A 125 -9.222 -4.706 3.690 1.00 73.54 C ATOM 1848 O GLY A 125 -10.240 -4.050 3.453 1.00 21.43 O ATOM 0 H GLY A 125 -7.012 -6.450 3.020 1.00 52.31 H new ATOM 0 HA2 GLY A 125 -9.097 -6.091 2.070 1.00 55.42 H new ATOM 0 HA3 GLY A 125 -9.896 -6.723 3.496 1.00 55.42 H new ATOM 1852 N ASP A 126 -8.237 -4.273 4.445 1.00 40.50 N ATOM 1853 CA ASP A 126 -8.254 -2.967 5.067 1.00 1.24 C ATOM 1854 C ASP A 126 -7.643 -1.911 4.164 1.00 50.41 C ATOM 1855 O ASP A 126 -6.830 -2.226 3.275 1.00 60.34 O ATOM 1856 CB ASP A 126 -7.588 -2.972 6.427 1.00 60.14 C ATOM 1857 CG ASP A 126 -7.871 -1.699 7.162 1.00 74.34 C ATOM 1858 OD1 ASP A 126 -9.063 -1.468 7.492 1.00 4.01 O ATOM 1859 OD2 ASP A 126 -6.963 -0.907 7.367 1.00 72.04 O ATOM 0 H ASP A 126 -7.399 -4.818 4.646 1.00 40.50 H new ATOM 0 HA ASP A 126 -9.302 -2.709 5.223 1.00 1.24 H new ATOM 0 HB2 ASP A 126 -7.946 -3.821 7.009 1.00 60.14 H new ATOM 0 HB3 ASP A 126 -6.512 -3.098 6.309 1.00 60.14 H new ATOM 1864 N GLU A 127 -8.066 -0.685 4.353 1.00 73.41 N ATOM 1865 CA GLU A 127 -7.626 0.410 3.551 1.00 45.12 C ATOM 1866 C GLU A 127 -6.847 1.446 4.351 1.00 52.41 C ATOM 1867 O GLU A 127 -7.302 1.932 5.410 1.00 53.33 O ATOM 1868 CB GLU A 127 -8.798 1.040 2.866 1.00 32.15 C ATOM 1869 CG GLU A 127 -9.398 0.136 1.808 1.00 52.31 C ATOM 1870 CD GLU A 127 -10.540 0.740 1.076 1.00 23.41 C ATOM 1871 OE1 GLU A 127 -11.671 0.693 1.584 1.00 73.11 O ATOM 1872 OE2 GLU A 127 -10.339 1.256 -0.036 1.00 12.32 O ATOM 0 H GLU A 127 -8.734 -0.425 5.079 1.00 73.41 H new ATOM 0 HA GLU A 127 -6.938 0.014 2.804 1.00 45.12 H new ATOM 0 HB2 GLU A 127 -9.560 1.286 3.606 1.00 32.15 H new ATOM 0 HB3 GLU A 127 -8.486 1.978 2.406 1.00 32.15 H new ATOM 0 HG2 GLU A 127 -8.622 -0.133 1.092 1.00 52.31 H new ATOM 0 HG3 GLU A 127 -9.730 -0.788 2.280 1.00 52.31 H new ATOM 1879 N ILE A 128 -5.709 1.811 3.810 1.00 71.05 N ATOM 1880 CA ILE A 128 -4.787 2.750 4.422 1.00 21.34 C ATOM 1881 C ILE A 128 -4.797 4.034 3.574 1.00 5.20 C ATOM 1882 O ILE A 128 -4.699 3.961 2.360 1.00 5.54 O ATOM 1883 CB ILE A 128 -3.329 2.176 4.405 1.00 64.14 C ATOM 1884 CG1 ILE A 128 -3.284 0.706 4.883 1.00 2.22 C ATOM 1885 CG2 ILE A 128 -2.393 3.036 5.260 1.00 54.52 C ATOM 1886 CD1 ILE A 128 -3.762 0.481 6.303 1.00 21.25 C ATOM 0 H ILE A 128 -5.387 1.457 2.909 1.00 71.05 H new ATOM 0 HA ILE A 128 -5.089 2.937 5.452 1.00 21.34 H new ATOM 0 HB ILE A 128 -2.987 2.203 3.370 1.00 64.14 H new ATOM 0 HG12 ILE A 128 -3.893 0.102 4.210 1.00 2.22 H new ATOM 0 HG13 ILE A 128 -2.260 0.343 4.798 1.00 2.22 H new ATOM 0 HG21 ILE A 128 -1.387 2.617 5.232 1.00 54.52 H new ATOM 0 HG22 ILE A 128 -2.374 4.053 4.868 1.00 54.52 H new ATOM 0 HG23 ILE A 128 -2.751 3.051 6.289 1.00 54.52 H new ATOM 0 HD11 ILE A 128 -3.693 -0.579 6.546 1.00 21.25 H new ATOM 0 HD12 ILE A 128 -3.139 1.053 6.991 1.00 21.25 H new ATOM 0 HD13 ILE A 128 -4.798 0.808 6.394 1.00 21.25 H new ATOM 1898 N GLN A 129 -4.926 5.173 4.187 1.00 52.12 N ATOM 1899 CA GLN A 129 -4.948 6.438 3.467 1.00 53.40 C ATOM 1900 C GLN A 129 -3.643 7.180 3.786 1.00 62.13 C ATOM 1901 O GLN A 129 -3.237 7.269 4.957 1.00 43.32 O ATOM 1902 CB GLN A 129 -6.207 7.239 3.883 1.00 52.02 C ATOM 1903 CG GLN A 129 -6.660 8.376 2.947 1.00 21.54 C ATOM 1904 CD GLN A 129 -5.757 9.596 2.919 1.00 31.33 C ATOM 1905 OE1 GLN A 129 -5.099 9.929 3.893 1.00 50.53 O ATOM 1906 NE2 GLN A 129 -5.746 10.283 1.813 1.00 3.20 N ATOM 0 H GLN A 129 -5.020 5.265 5.199 1.00 52.12 H new ATOM 0 HA GLN A 129 -5.007 6.292 2.388 1.00 53.40 H new ATOM 0 HB2 GLN A 129 -7.035 6.537 3.987 1.00 52.02 H new ATOM 0 HB3 GLN A 129 -6.025 7.666 4.869 1.00 52.02 H new ATOM 0 HG2 GLN A 129 -6.739 7.980 1.934 1.00 21.54 H new ATOM 0 HG3 GLN A 129 -7.660 8.692 3.245 1.00 21.54 H new ATOM 0 HE21 GLN A 129 -6.307 9.978 1.018 1.00 3.20 H new ATOM 0 HE22 GLN A 129 -5.176 11.126 1.742 1.00 3.20 H new ATOM 1915 N ILE A 130 -2.977 7.653 2.747 1.00 52.20 N ATOM 1916 CA ILE A 130 -1.687 8.323 2.864 1.00 25.11 C ATOM 1917 C ILE A 130 -1.748 9.628 2.098 1.00 54.13 C ATOM 1918 O ILE A 130 -1.715 9.607 0.877 1.00 64.44 O ATOM 1919 CB ILE A 130 -0.489 7.485 2.249 1.00 32.02 C ATOM 1920 CG1 ILE A 130 -0.281 6.111 2.923 1.00 33.51 C ATOM 1921 CG2 ILE A 130 0.818 8.278 2.248 1.00 51.14 C ATOM 1922 CD1 ILE A 130 -1.249 5.037 2.485 1.00 31.44 C ATOM 0 H ILE A 130 -3.317 7.584 1.788 1.00 52.20 H new ATOM 0 HA ILE A 130 -1.502 8.461 3.929 1.00 25.11 H new ATOM 0 HB ILE A 130 -0.782 7.288 1.218 1.00 32.02 H new ATOM 0 HG12 ILE A 130 0.734 5.771 2.717 1.00 33.51 H new ATOM 0 HG13 ILE A 130 -0.363 6.236 4.003 1.00 33.51 H new ATOM 0 HG21 ILE A 130 1.613 7.668 1.819 1.00 51.14 H new ATOM 0 HG22 ILE A 130 0.694 9.183 1.654 1.00 51.14 H new ATOM 0 HG23 ILE A 130 1.080 8.549 3.271 1.00 51.14 H new ATOM 0 HD11 ILE A 130 -1.025 4.109 3.011 1.00 31.44 H new ATOM 0 HD12 ILE A 130 -2.268 5.349 2.716 1.00 31.44 H new ATOM 0 HD13 ILE A 130 -1.154 4.877 1.411 1.00 31.44 H new ATOM 1934 N GLY A 131 -1.865 10.738 2.798 1.00 73.41 N ATOM 1935 CA GLY A 131 -1.885 12.045 2.142 1.00 63.21 C ATOM 1936 C GLY A 131 -3.086 12.219 1.223 1.00 33.23 C ATOM 1937 O GLY A 131 -4.185 12.583 1.676 1.00 0.35 O ATOM 0 H GLY A 131 -1.948 10.770 3.814 1.00 73.41 H new ATOM 0 HA2 GLY A 131 -1.896 12.828 2.900 1.00 63.21 H new ATOM 0 HA3 GLY A 131 -0.969 12.172 1.565 1.00 63.21 H new ATOM 1941 N LYS A 132 -2.886 11.968 -0.061 1.00 13.32 N ATOM 1942 CA LYS A 132 -3.965 12.043 -1.049 1.00 64.33 C ATOM 1943 C LYS A 132 -4.268 10.633 -1.620 1.00 40.35 C ATOM 1944 O LYS A 132 -5.147 10.467 -2.476 1.00 10.14 O ATOM 1945 CB LYS A 132 -3.549 12.952 -2.215 1.00 72.01 C ATOM 1946 CG LYS A 132 -2.993 14.319 -1.827 1.00 73.41 C ATOM 1947 CD LYS A 132 -3.995 15.213 -1.128 1.00 73.35 C ATOM 1948 CE LYS A 132 -3.331 16.534 -0.773 1.00 11.14 C ATOM 1949 NZ LYS A 132 -4.269 17.506 -0.197 1.00 35.20 N ATOM 0 H LYS A 132 -1.980 11.708 -0.452 1.00 13.32 H new ATOM 0 HA LYS A 132 -4.850 12.444 -0.555 1.00 64.33 H new ATOM 0 HB2 LYS A 132 -2.797 12.430 -2.807 1.00 72.01 H new ATOM 0 HB3 LYS A 132 -4.415 13.103 -2.860 1.00 72.01 H new ATOM 0 HG2 LYS A 132 -2.130 14.178 -1.176 1.00 73.41 H new ATOM 0 HG3 LYS A 132 -2.635 14.823 -2.725 1.00 73.41 H new ATOM 0 HD2 LYS A 132 -4.856 15.388 -1.774 1.00 73.35 H new ATOM 0 HD3 LYS A 132 -4.367 14.726 -0.226 1.00 73.35 H new ATOM 0 HE2 LYS A 132 -2.524 16.351 -0.064 1.00 11.14 H new ATOM 0 HE3 LYS A 132 -2.878 16.960 -1.668 1.00 11.14 H new ATOM 0 HZ1 LYS A 132 -3.763 18.387 0.026 1.00 35.20 H new ATOM 0 HZ2 LYS A 132 -5.026 17.705 -0.881 1.00 35.20 H new ATOM 0 HZ3 LYS A 132 -4.683 17.115 0.673 1.00 35.20 H new ATOM 1963 N PHE A 133 -3.533 9.644 -1.155 1.00 22.31 N ATOM 1964 CA PHE A 133 -3.625 8.269 -1.655 1.00 32.25 C ATOM 1965 C PHE A 133 -4.454 7.403 -0.740 1.00 24.14 C ATOM 1966 O PHE A 133 -4.525 7.649 0.453 1.00 44.24 O ATOM 1967 CB PHE A 133 -2.237 7.615 -1.712 1.00 64.14 C ATOM 1968 CG PHE A 133 -1.238 8.280 -2.591 1.00 54.50 C ATOM 1969 CD1 PHE A 133 -0.458 9.315 -2.117 1.00 43.30 C ATOM 1970 CD2 PHE A 133 -1.054 7.849 -3.879 1.00 61.35 C ATOM 1971 CE1 PHE A 133 0.477 9.906 -2.921 1.00 45.34 C ATOM 1972 CE2 PHE A 133 -0.118 8.443 -4.687 1.00 23.31 C ATOM 1973 CZ PHE A 133 0.646 9.466 -4.208 1.00 20.41 C ATOM 0 H PHE A 133 -2.845 9.763 -0.412 1.00 22.31 H new ATOM 0 HA PHE A 133 -4.078 8.337 -2.644 1.00 32.25 H new ATOM 0 HB2 PHE A 133 -1.833 7.577 -0.700 1.00 64.14 H new ATOM 0 HB3 PHE A 133 -2.356 6.584 -2.046 1.00 64.14 H new ATOM 0 HD1 PHE A 133 -0.587 9.661 -1.102 1.00 43.30 H new ATOM 0 HD2 PHE A 133 -1.651 7.034 -4.261 1.00 61.35 H new ATOM 0 HE1 PHE A 133 1.081 10.718 -2.543 1.00 45.34 H new ATOM 0 HE2 PHE A 133 0.014 8.100 -5.703 1.00 23.31 H new ATOM 0 HZ PHE A 133 1.385 9.930 -4.844 1.00 20.41 H new ATOM 1983 N ARG A 134 -5.058 6.384 -1.292 1.00 52.10 N ATOM 1984 CA ARG A 134 -5.725 5.392 -0.497 1.00 61.33 C ATOM 1985 C ARG A 134 -5.384 4.029 -1.066 1.00 72.43 C ATOM 1986 O ARG A 134 -5.644 3.754 -2.248 1.00 72.32 O ATOM 1987 CB ARG A 134 -7.236 5.591 -0.453 1.00 74.11 C ATOM 1988 CG ARG A 134 -7.866 4.943 0.772 1.00 3.34 C ATOM 1989 CD ARG A 134 -9.370 5.078 0.783 1.00 53.11 C ATOM 1990 NE ARG A 134 -10.036 4.062 -0.027 1.00 10.23 N ATOM 1991 CZ ARG A 134 -11.137 4.235 -0.758 1.00 40.21 C ATOM 1992 NH1 ARG A 134 -11.737 5.406 -0.845 1.00 1.43 N ATOM 1993 NH2 ARG A 134 -11.666 3.202 -1.360 1.00 31.10 N ATOM 0 H ARG A 134 -5.101 6.220 -2.298 1.00 52.10 H new ATOM 0 HA ARG A 134 -5.380 5.481 0.533 1.00 61.33 H new ATOM 0 HB2 ARG A 134 -7.460 6.658 -0.454 1.00 74.11 H new ATOM 0 HB3 ARG A 134 -7.682 5.171 -1.354 1.00 74.11 H new ATOM 0 HG2 ARG A 134 -7.598 3.887 0.800 1.00 3.34 H new ATOM 0 HG3 ARG A 134 -7.456 5.399 1.673 1.00 3.34 H new ATOM 0 HD2 ARG A 134 -9.729 5.010 1.810 1.00 53.11 H new ATOM 0 HD3 ARG A 134 -9.644 6.067 0.415 1.00 53.11 H new ATOM 0 HE ARG A 134 -9.619 3.131 -0.034 1.00 10.23 H new ATOM 0 HH11 ARG A 134 -11.360 6.211 -0.345 1.00 1.43 H new ATOM 0 HH12 ARG A 134 -12.578 5.507 -1.413 1.00 1.43 H new ATOM 0 HH21 ARG A 134 -11.236 2.282 -1.266 1.00 31.10 H new ATOM 0 HH22 ARG A 134 -12.509 3.316 -1.923 1.00 31.10 H new ATOM 2007 N LEU A 135 -4.782 3.212 -0.254 1.00 41.41 N ATOM 2008 CA LEU A 135 -4.331 1.899 -0.638 1.00 63.30 C ATOM 2009 C LEU A 135 -5.256 0.860 -0.055 1.00 20.14 C ATOM 2010 O LEU A 135 -5.704 0.995 1.082 1.00 42.33 O ATOM 2011 CB LEU A 135 -2.913 1.645 -0.104 1.00 34.21 C ATOM 2012 CG LEU A 135 -1.849 2.682 -0.460 1.00 13.52 C ATOM 2013 CD1 LEU A 135 -0.515 2.324 0.170 1.00 33.14 C ATOM 2014 CD2 LEU A 135 -1.700 2.827 -1.957 1.00 33.31 C ATOM 0 H LEU A 135 -4.584 3.442 0.720 1.00 41.41 H new ATOM 0 HA LEU A 135 -4.327 1.837 -1.726 1.00 63.30 H new ATOM 0 HB2 LEU A 135 -2.967 1.572 0.982 1.00 34.21 H new ATOM 0 HB3 LEU A 135 -2.579 0.675 -0.473 1.00 34.21 H new ATOM 0 HG LEU A 135 -2.178 3.641 -0.059 1.00 13.52 H new ATOM 0 HD11 LEU A 135 0.227 3.076 -0.097 1.00 33.14 H new ATOM 0 HD12 LEU A 135 -0.622 2.289 1.254 1.00 33.14 H new ATOM 0 HD13 LEU A 135 -0.191 1.349 -0.194 1.00 33.14 H new ATOM 0 HD21 LEU A 135 -0.935 3.572 -2.176 1.00 33.31 H new ATOM 0 HD22 LEU A 135 -1.407 1.870 -2.388 1.00 33.31 H new ATOM 0 HD23 LEU A 135 -2.650 3.144 -2.388 1.00 33.31 H new ATOM 2026 N VAL A 136 -5.535 -0.147 -0.820 1.00 41.25 N ATOM 2027 CA VAL A 136 -6.358 -1.255 -0.373 1.00 15.31 C ATOM 2028 C VAL A 136 -5.440 -2.450 -0.272 1.00 61.54 C ATOM 2029 O VAL A 136 -4.823 -2.847 -1.267 1.00 63.42 O ATOM 2030 CB VAL A 136 -7.470 -1.591 -1.401 1.00 72.20 C ATOM 2031 CG1 VAL A 136 -8.447 -2.625 -0.848 1.00 74.13 C ATOM 2032 CG2 VAL A 136 -8.195 -0.342 -1.869 1.00 11.44 C ATOM 0 H VAL A 136 -5.202 -0.236 -1.780 1.00 41.25 H new ATOM 0 HA VAL A 136 -6.837 -1.000 0.572 1.00 15.31 H new ATOM 0 HB VAL A 136 -6.983 -2.031 -2.272 1.00 72.20 H new ATOM 0 HG11 VAL A 136 -9.213 -2.837 -1.594 1.00 74.13 H new ATOM 0 HG12 VAL A 136 -7.909 -3.542 -0.609 1.00 74.13 H new ATOM 0 HG13 VAL A 136 -8.918 -2.235 0.054 1.00 74.13 H new ATOM 0 HG21 VAL A 136 -8.967 -0.617 -2.588 1.00 11.44 H new ATOM 0 HG22 VAL A 136 -8.656 0.153 -1.014 1.00 11.44 H new ATOM 0 HG23 VAL A 136 -7.484 0.336 -2.341 1.00 11.44 H new ATOM 2042 N PHE A 137 -5.332 -3.001 0.898 1.00 43.41 N ATOM 2043 CA PHE A 137 -4.400 -4.070 1.158 1.00 21.00 C ATOM 2044 C PHE A 137 -5.066 -5.443 1.091 1.00 65.24 C ATOM 2045 O PHE A 137 -5.989 -5.735 1.853 1.00 4.32 O ATOM 2046 CB PHE A 137 -3.762 -3.836 2.532 1.00 41.50 C ATOM 2047 CG PHE A 137 -2.847 -4.924 2.997 1.00 33.22 C ATOM 2048 CD1 PHE A 137 -1.567 -5.029 2.498 1.00 63.43 C ATOM 2049 CD2 PHE A 137 -3.273 -5.840 3.949 1.00 24.45 C ATOM 2050 CE1 PHE A 137 -0.729 -6.023 2.935 1.00 61.32 C ATOM 2051 CE2 PHE A 137 -2.439 -6.836 4.390 1.00 62.34 C ATOM 2052 CZ PHE A 137 -1.166 -6.929 3.884 1.00 32.40 C ATOM 0 H PHE A 137 -5.888 -2.725 1.707 1.00 43.41 H new ATOM 0 HA PHE A 137 -3.633 -4.064 0.384 1.00 21.00 H new ATOM 0 HB2 PHE A 137 -3.204 -2.900 2.502 1.00 41.50 H new ATOM 0 HB3 PHE A 137 -4.556 -3.710 3.268 1.00 41.50 H new ATOM 0 HD1 PHE A 137 -1.221 -4.323 1.757 1.00 63.43 H new ATOM 0 HD2 PHE A 137 -4.274 -5.768 4.348 1.00 24.45 H new ATOM 0 HE1 PHE A 137 0.272 -6.098 2.538 1.00 61.32 H new ATOM 0 HE2 PHE A 137 -2.782 -7.543 5.131 1.00 62.34 H new ATOM 0 HZ PHE A 137 -0.505 -7.711 4.228 1.00 32.40 H new ATOM 2062 N LEU A 138 -4.597 -6.276 0.191 1.00 53.34 N ATOM 2063 CA LEU A 138 -5.081 -7.633 0.060 1.00 61.30 C ATOM 2064 C LEU A 138 -3.899 -8.574 0.049 1.00 2.32 C ATOM 2065 O LEU A 138 -2.800 -8.175 -0.305 1.00 24.43 O ATOM 2066 CB LEU A 138 -5.925 -7.806 -1.215 1.00 41.32 C ATOM 2067 CG LEU A 138 -7.266 -7.052 -1.250 1.00 34.24 C ATOM 2068 CD1 LEU A 138 -7.928 -7.210 -2.603 1.00 45.34 C ATOM 2069 CD2 LEU A 138 -8.198 -7.561 -0.157 1.00 3.21 C ATOM 0 H LEU A 138 -3.865 -6.031 -0.475 1.00 53.34 H new ATOM 0 HA LEU A 138 -5.727 -7.863 0.907 1.00 61.30 H new ATOM 0 HB2 LEU A 138 -5.328 -7.483 -2.068 1.00 41.32 H new ATOM 0 HB3 LEU A 138 -6.126 -8.869 -1.351 1.00 41.32 H new ATOM 0 HG LEU A 138 -7.064 -5.995 -1.075 1.00 34.24 H new ATOM 0 HD11 LEU A 138 -8.875 -6.670 -2.610 1.00 45.34 H new ATOM 0 HD12 LEU A 138 -7.275 -6.807 -3.377 1.00 45.34 H new ATOM 0 HD13 LEU A 138 -8.111 -8.267 -2.797 1.00 45.34 H new ATOM 0 HD21 LEU A 138 -9.140 -7.015 -0.199 1.00 3.21 H new ATOM 0 HD22 LEU A 138 -8.388 -8.624 -0.306 1.00 3.21 H new ATOM 0 HD23 LEU A 138 -7.734 -7.409 0.817 1.00 3.21 H new ATOM 2081 N ALA A 139 -4.107 -9.800 0.457 1.00 10.41 N ATOM 2082 CA ALA A 139 -3.026 -10.762 0.500 1.00 52.30 C ATOM 2083 C ALA A 139 -2.693 -11.261 -0.885 1.00 23.44 C ATOM 2084 O ALA A 139 -3.488 -11.110 -1.815 1.00 0.43 O ATOM 2085 CB ALA A 139 -3.360 -11.929 1.402 1.00 55.12 C ATOM 0 H ALA A 139 -5.011 -10.159 0.764 1.00 10.41 H new ATOM 0 HA ALA A 139 -2.154 -10.251 0.909 1.00 52.30 H new ATOM 0 HB1 ALA A 139 -2.527 -12.632 1.411 1.00 55.12 H new ATOM 0 HB2 ALA A 139 -3.540 -11.567 2.414 1.00 55.12 H new ATOM 0 HB3 ALA A 139 -4.254 -12.431 1.032 1.00 55.12 H new ATOM 2091 N GLY A 140 -1.517 -11.837 -1.010 1.00 32.15 N ATOM 2092 CA GLY A 140 -1.068 -12.383 -2.253 1.00 45.04 C ATOM 2093 C GLY A 140 -1.865 -13.604 -2.660 1.00 51.23 C ATOM 2094 O GLY A 140 -2.597 -14.162 -1.842 1.00 5.24 O ATOM 0 H GLY A 140 -0.850 -11.935 -0.244 1.00 32.15 H new ATOM 0 HA2 GLY A 140 -1.146 -11.624 -3.031 1.00 45.04 H new ATOM 0 HA3 GLY A 140 -0.014 -12.649 -2.172 1.00 45.04 H new ATOM 2098 N PRO A 141 -1.700 -14.051 -3.904 1.00 30.23 N ATOM 2099 CA PRO A 141 -2.473 -15.156 -4.483 1.00 31.23 C ATOM 2100 C PRO A 141 -2.445 -16.468 -3.688 1.00 32.54 C ATOM 2101 O PRO A 141 -1.412 -16.865 -3.105 1.00 41.45 O ATOM 2102 CB PRO A 141 -1.841 -15.364 -5.859 1.00 23.44 C ATOM 2103 CG PRO A 141 -0.548 -14.639 -5.817 1.00 1.41 C ATOM 2104 CD PRO A 141 -0.748 -13.502 -4.875 1.00 74.53 C ATOM 0 HA PRO A 141 -3.531 -14.893 -4.497 1.00 31.23 H new ATOM 0 HB2 PRO A 141 -1.690 -16.424 -6.065 1.00 23.44 H new ATOM 0 HB3 PRO A 141 -2.484 -14.974 -6.649 1.00 23.44 H new ATOM 0 HG2 PRO A 141 0.255 -15.292 -5.476 1.00 1.41 H new ATOM 0 HG3 PRO A 141 -0.269 -14.281 -6.808 1.00 1.41 H new ATOM 0 HD2 PRO A 141 0.186 -13.200 -4.400 1.00 74.53 H new ATOM 0 HD3 PRO A 141 -1.147 -12.623 -5.381 1.00 74.53 H new ATOM 2112 N ALA A 142 -3.567 -17.155 -3.727 1.00 74.55 N ATOM 2113 CA ALA A 142 -3.768 -18.412 -3.025 1.00 35.12 C ATOM 2114 C ALA A 142 -3.531 -19.595 -3.970 1.00 71.13 C ATOM 2115 O ALA A 142 -4.308 -20.557 -4.015 1.00 22.22 O ATOM 2116 CB ALA A 142 -5.180 -18.454 -2.452 1.00 54.22 C ATOM 0 H ALA A 142 -4.384 -16.852 -4.258 1.00 74.55 H new ATOM 0 HA ALA A 142 -3.052 -18.486 -2.207 1.00 35.12 H new ATOM 0 HB1 ALA A 142 -5.331 -19.396 -1.926 1.00 54.22 H new ATOM 0 HB2 ALA A 142 -5.316 -17.625 -1.758 1.00 54.22 H new ATOM 0 HB3 ALA A 142 -5.904 -18.371 -3.262 1.00 54.22 H new ATOM 2122 N GLU A 143 -2.492 -19.496 -4.743 1.00 25.01 N ATOM 2123 CA GLU A 143 -2.085 -20.508 -5.641 1.00 13.54 C ATOM 2124 C GLU A 143 -0.693 -20.981 -5.269 1.00 43.12 C ATOM 2125 O GLU A 143 0.258 -20.170 -5.330 1.00 37.75 O ATOM 2126 CB GLU A 143 -2.153 -19.998 -7.077 1.00 70.12 C ATOM 2127 CG GLU A 143 -1.780 -18.540 -7.237 1.00 13.20 C ATOM 2128 CD GLU A 143 -1.770 -18.071 -8.663 1.00 70.54 C ATOM 2129 OE1 GLU A 143 -2.839 -17.730 -9.201 1.00 73.54 O ATOM 2130 OE2 GLU A 143 -0.689 -18.007 -9.271 1.00 75.55 O ATOM 2131 OXT GLU A 143 -0.531 -22.158 -4.904 1.00 37.75 O ATOM 0 H GLU A 143 -1.889 -18.673 -4.758 1.00 25.01 H new ATOM 0 HA GLU A 143 -2.760 -21.361 -5.571 1.00 13.54 H new ATOM 0 HB2 GLU A 143 -1.489 -20.601 -7.696 1.00 70.12 H new ATOM 0 HB3 GLU A 143 -3.164 -20.146 -7.456 1.00 70.12 H new ATOM 0 HG2 GLU A 143 -2.482 -17.930 -6.669 1.00 13.20 H new ATOM 0 HG3 GLU A 143 -0.793 -18.377 -6.804 1.00 13.20 H new TER 2138 GLU A 143