USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1074 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 ASN : amide:sc= -0.865 K(o=-4.1,f=-6.2!) USER MOD Set 1.2: A 119 TYR OH : rot -137:sc= -3.19! USER MOD Set 2.1: A 81 THR OG1 : rot 180:sc= 0.294 USER MOD Set 2.2: A 92 LYS NZ :NH3+ -113:sc= -1.15 (180deg=-2.58!) USER MOD Set 3.1: A 11 SER OG : rot -120:sc= 0.523 USER MOD Set 3.2: A 33 HIS : no HD1:sc= -2.05! K(o=-1.5!,f=-3) USER MOD Set 4.1: A 13 ASN : amide:sc= -3.51 K(o=-3.5,f=-6.9!) USER MOD Set 4.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 169:sc= 0 (180deg=-0.126) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -62:sc= 0.974 USER MOD Single : A 18 MET CE :methyl -123:sc= -5.24! (180deg=-7.49!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -158:sc= -6.35 (180deg=-9.13!) USER MOD Single : A 24 ASN : amide:sc= -0.839 K(o=-0.84,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -0.0024 (180deg=-0.0604) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -0.0346 (180deg=-0.301) USER MOD Single : A 35 ASN : amide:sc= -0.344 K(o=-0.34,f=-2.9) USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.2) USER MOD Single : A 39 THR OG1 : rot 84:sc= 1.18 USER MOD Single : A 41 THR OG1 : rot 71:sc= -0.407 USER MOD Single : A 42 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.53) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.253 F(o=-0.85,f=-0.25) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= -0.119 (180deg=-0.574) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0218 USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.747) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.128 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 67 THR OG1 : rot -68:sc= 1.25 USER MOD Single : A 69 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.9!) USER MOD Single : A 70 TYR OH : rot -149:sc= -0.235 USER MOD Single : A 71 ASN : amide:sc= 0.032 K(o=0.032,f=-4.8!) USER MOD Single : A 76 THR OG1 : rot 40:sc= -2.13 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.2) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0728 F(o=-2.2!,f=-0.073) USER MOD Single : A 104 THR OG1 : rot 130:sc= -3.79! USER MOD Single : A 115 GLN : amide:sc= -3.8 K(o=-3.8,f=-7.5!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 165:sc= -0.108 (180deg=-0.495) USER MOD Single : A 129 LYS NZ :NH3+ -158:sc= -0.507 (180deg=-1.13!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 KTR O3 : rot -34:sc= 0.449 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.622 -0.164 17.740 1.00 0.00 N ATOM 2 CA ALA A 1 -4.614 -1.099 17.150 1.00 0.00 C ATOM 3 C ALA A 1 -4.366 -1.291 15.658 1.00 0.00 C ATOM 4 O ALA A 1 -5.306 -1.414 14.873 1.00 0.00 O ATOM 5 CB ALA A 1 -6.027 -0.588 17.387 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.919 0.095 18.702 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.690 -0.625 17.777 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.561 0.693 17.154 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.501 -2.066 17.640 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.743 -1.283 16.949 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.209 -0.506 18.459 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.142 0.392 16.923 1.00 0.00 H new ATOM 13 N PHE A 2 -3.094 -1.314 15.272 1.00 0.00 N ATOM 14 CA PHE A 2 -2.724 -1.491 13.873 1.00 0.00 C ATOM 15 C PHE A 2 -2.925 -2.940 13.436 1.00 0.00 C ATOM 16 O PHE A 2 -3.550 -3.208 12.410 1.00 0.00 O ATOM 17 CB PHE A 2 -1.268 -1.073 13.654 1.00 0.00 C ATOM 18 CG PHE A 2 -1.124 0.321 13.116 1.00 0.00 C ATOM 19 CD1 PHE A 2 -1.612 0.646 11.861 1.00 0.00 C ATOM 20 CD2 PHE A 2 -0.501 1.307 13.865 1.00 0.00 C ATOM 21 CE1 PHE A 2 -1.483 1.928 11.362 1.00 0.00 C ATOM 22 CE2 PHE A 2 -0.369 2.591 13.372 1.00 0.00 C ATOM 23 CZ PHE A 2 -0.861 2.902 12.119 1.00 0.00 C ATOM 0 H PHE A 2 -2.303 -1.212 15.908 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.371 -0.857 13.267 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -0.730 -1.147 14.599 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -0.797 -1.772 12.963 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.099 -0.112 11.265 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -0.114 1.069 14.845 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.868 2.168 10.382 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.118 3.351 13.965 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.759 3.905 11.732 1.00 0.00 H new ATOM 33 N ASP A 3 -2.394 -3.871 14.225 1.00 0.00 N ATOM 34 CA ASP A 3 -2.516 -5.295 13.925 1.00 0.00 C ATOM 35 C ASP A 3 -3.980 -5.691 13.765 1.00 0.00 C ATOM 36 O ASP A 3 -4.734 -5.708 14.738 1.00 0.00 O ATOM 37 CB ASP A 3 -1.872 -6.124 15.038 1.00 0.00 C ATOM 38 CG ASP A 3 -0.620 -6.838 14.575 1.00 0.00 C ATOM 39 OD1 ASP A 3 0.386 -6.151 14.302 1.00 0.00 O ATOM 40 OD2 ASP A 3 -0.646 -8.083 14.485 1.00 0.00 O ATOM 0 H ASP A 3 -1.874 -3.664 15.078 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.999 -5.492 12.986 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.626 -5.473 15.877 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.591 -6.857 15.404 1.00 0.00 H new ATOM 45 N SER A 4 -4.382 -6.001 12.534 1.00 0.00 N ATOM 46 CA SER A 4 -5.765 -6.385 12.263 1.00 0.00 C ATOM 47 C SER A 4 -6.012 -6.566 10.768 1.00 0.00 C ATOM 48 O SER A 4 -5.118 -6.356 9.948 1.00 0.00 O ATOM 49 CB SER A 4 -6.716 -5.311 12.799 1.00 0.00 C ATOM 50 OG SER A 4 -7.768 -5.887 13.554 1.00 0.00 O ATOM 0 H SER A 4 -3.775 -5.994 11.714 1.00 0.00 H new ATOM 0 HA SER A 4 -5.949 -7.336 12.763 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.161 -4.608 13.421 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.131 -4.742 11.967 1.00 0.00 H new ATOM 0 HG SER A 4 -8.359 -5.179 13.885 1.00 0.00 H new ATOM 56 N THR A 5 -7.248 -6.923 10.423 1.00 0.00 N ATOM 57 CA THR A 5 -7.637 -7.092 9.028 1.00 0.00 C ATOM 58 C THR A 5 -8.111 -5.750 8.496 1.00 0.00 C ATOM 59 O THR A 5 -9.025 -5.146 9.057 1.00 0.00 O ATOM 60 CB THR A 5 -8.750 -8.132 8.895 1.00 0.00 C ATOM 61 OG1 THR A 5 -8.310 -9.401 9.345 1.00 0.00 O ATOM 62 CG2 THR A 5 -9.245 -8.292 7.475 1.00 0.00 C ATOM 0 H THR A 5 -7.997 -7.101 11.093 1.00 0.00 H new ATOM 0 HA THR A 5 -6.781 -7.445 8.453 1.00 0.00 H new ATOM 0 HB THR A 5 -9.570 -7.761 9.511 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.038 -10.051 9.253 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.034 -9.044 7.447 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.638 -7.340 7.117 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.420 -8.607 6.836 1.00 0.00 H new ATOM 70 N TRP A 6 -7.466 -5.256 7.447 1.00 0.00 N ATOM 71 CA TRP A 6 -7.821 -3.954 6.907 1.00 0.00 C ATOM 72 C TRP A 6 -8.425 -4.048 5.515 1.00 0.00 C ATOM 73 O TRP A 6 -7.840 -4.612 4.594 1.00 0.00 O ATOM 74 CB TRP A 6 -6.589 -3.042 6.897 1.00 0.00 C ATOM 75 CG TRP A 6 -6.167 -2.603 8.265 1.00 0.00 C ATOM 76 CD1 TRP A 6 -6.346 -3.284 9.434 1.00 0.00 C ATOM 77 CD2 TRP A 6 -5.493 -1.388 8.609 1.00 0.00 C ATOM 78 NE1 TRP A 6 -5.831 -2.568 10.483 1.00 0.00 N ATOM 79 CE2 TRP A 6 -5.302 -1.401 10.005 1.00 0.00 C ATOM 80 CE3 TRP A 6 -5.034 -0.291 7.877 1.00 0.00 C ATOM 81 CZ2 TRP A 6 -4.673 -0.363 10.680 1.00 0.00 C ATOM 82 CZ3 TRP A 6 -4.408 0.741 8.549 1.00 0.00 C ATOM 83 CH2 TRP A 6 -4.232 0.699 9.939 1.00 0.00 C ATOM 0 H TRP A 6 -6.705 -5.730 6.960 1.00 0.00 H new ATOM 0 HA TRP A 6 -8.587 -3.527 7.555 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.761 -3.566 6.420 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.802 -2.162 6.290 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.825 -4.248 9.520 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.841 -2.858 11.461 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.166 -0.250 6.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -4.537 -0.393 11.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.048 1.595 7.994 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.738 1.522 10.435 1.00 0.00 H new ATOM 94 N LYS A 7 -9.596 -3.448 5.380 1.00 0.00 N ATOM 95 CA LYS A 7 -10.304 -3.408 4.110 1.00 0.00 C ATOM 96 C LYS A 7 -10.539 -1.964 3.691 1.00 0.00 C ATOM 97 O LYS A 7 -11.257 -1.210 4.346 1.00 0.00 O ATOM 98 CB LYS A 7 -11.631 -4.163 4.200 1.00 0.00 C ATOM 99 CG LYS A 7 -12.640 -3.503 5.123 1.00 0.00 C ATOM 100 CD LYS A 7 -13.966 -3.254 4.421 1.00 0.00 C ATOM 101 CE LYS A 7 -14.556 -1.907 4.809 1.00 0.00 C ATOM 102 NZ LYS A 7 -16.042 -1.955 4.891 1.00 0.00 N ATOM 0 H LYS A 7 -10.081 -2.977 6.143 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.689 -3.899 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.062 -4.245 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.440 -5.178 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.803 -4.136 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.237 -2.557 5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.820 -3.292 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.669 -4.047 4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.149 -1.596 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.257 -1.155 4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.405 -1.018 5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.432 -2.227 3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.328 -2.654 5.606 1.00 0.00 H new ATOM 116 N VAL A 8 -9.907 -1.586 2.601 1.00 0.00 N ATOM 117 CA VAL A 8 -10.017 -0.236 2.086 1.00 0.00 C ATOM 118 C VAL A 8 -11.422 0.043 1.551 1.00 0.00 C ATOM 119 O VAL A 8 -11.996 -0.775 0.832 1.00 0.00 O ATOM 120 CB VAL A 8 -8.965 0.009 0.987 1.00 0.00 C ATOM 121 CG1 VAL A 8 -9.447 -0.504 -0.363 1.00 0.00 C ATOM 122 CG2 VAL A 8 -8.607 1.481 0.918 1.00 0.00 C ATOM 0 H VAL A 8 -9.307 -2.199 2.050 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.830 0.452 2.911 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.066 -0.550 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.683 -0.317 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.638 -1.575 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.366 0.012 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.863 1.638 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.500 2.062 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.200 1.802 1.877 1.00 0.00 H new ATOM 132 N ASP A 9 -11.971 1.199 1.914 1.00 0.00 N ATOM 133 CA ASP A 9 -13.311 1.578 1.476 1.00 0.00 C ATOM 134 C ASP A 9 -13.262 2.323 0.147 1.00 0.00 C ATOM 135 O ASP A 9 -13.694 1.801 -0.882 1.00 0.00 O ATOM 136 CB ASP A 9 -13.992 2.443 2.537 1.00 0.00 C ATOM 137 CG ASP A 9 -15.396 2.855 2.138 1.00 0.00 C ATOM 138 OD1 ASP A 9 -16.323 2.031 2.289 1.00 0.00 O ATOM 139 OD2 ASP A 9 -15.569 4.002 1.673 1.00 0.00 O ATOM 0 H ASP A 9 -11.510 1.888 2.509 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.890 0.665 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.032 1.894 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.391 3.335 2.714 1.00 0.00 H new ATOM 144 N ARG A 10 -12.730 3.541 0.169 1.00 0.00 N ATOM 145 CA ARG A 10 -12.625 4.341 -1.046 1.00 0.00 C ATOM 146 C ARG A 10 -11.179 4.742 -1.300 1.00 0.00 C ATOM 147 O ARG A 10 -10.315 4.563 -0.442 1.00 0.00 O ATOM 148 CB ARG A 10 -13.517 5.586 -0.970 1.00 0.00 C ATOM 149 CG ARG A 10 -13.520 6.273 0.386 1.00 0.00 C ATOM 150 CD ARG A 10 -14.817 7.030 0.618 1.00 0.00 C ATOM 151 NE ARG A 10 -14.805 7.763 1.882 1.00 0.00 N ATOM 152 CZ ARG A 10 -15.902 8.209 2.491 1.00 0.00 C ATOM 153 NH1 ARG A 10 -17.098 7.999 1.955 1.00 0.00 N ATOM 154 NH2 ARG A 10 -15.802 8.866 3.638 1.00 0.00 N ATOM 0 H ARG A 10 -12.367 3.993 1.008 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.970 3.728 -1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.189 6.300 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.539 5.302 -1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.384 5.531 1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.678 6.962 0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.982 7.727 -0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.652 6.329 0.613 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.904 7.944 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.180 7.494 1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.935 8.343 2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.885 9.030 4.054 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.642 9.208 4.105 1.00 0.00 H new ATOM 168 N SER A 11 -10.918 5.274 -2.488 1.00 0.00 N ATOM 169 CA SER A 11 -9.569 5.683 -2.853 1.00 0.00 C ATOM 170 C SER A 11 -9.583 6.963 -3.681 1.00 0.00 C ATOM 171 O SER A 11 -10.615 7.355 -4.226 1.00 0.00 O ATOM 172 CB SER A 11 -8.877 4.561 -3.628 1.00 0.00 C ATOM 173 OG SER A 11 -9.222 4.599 -5.002 1.00 0.00 O ATOM 0 H SER A 11 -11.620 5.431 -3.211 1.00 0.00 H new ATOM 0 HA SER A 11 -9.015 5.884 -1.936 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.796 4.653 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.159 3.596 -3.206 1.00 0.00 H new ATOM 0 HG SER A 11 -9.653 3.756 -5.254 1.00 0.00 H new ATOM 179 N GLU A 12 -8.426 7.608 -3.770 1.00 0.00 N ATOM 180 CA GLU A 12 -8.289 8.844 -4.530 1.00 0.00 C ATOM 181 C GLU A 12 -7.014 8.819 -5.366 1.00 0.00 C ATOM 182 O GLU A 12 -5.927 8.559 -4.850 1.00 0.00 O ATOM 183 CB GLU A 12 -8.273 10.050 -3.588 1.00 0.00 C ATOM 184 CG GLU A 12 -9.653 10.619 -3.306 1.00 0.00 C ATOM 185 CD GLU A 12 -9.665 12.135 -3.279 1.00 0.00 C ATOM 186 OE1 GLU A 12 -8.840 12.747 -3.989 1.00 0.00 O ATOM 187 OE2 GLU A 12 -10.499 12.709 -2.548 1.00 0.00 O ATOM 0 H GLU A 12 -7.565 7.293 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.145 8.931 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.810 9.758 -2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.649 10.831 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.349 10.267 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.010 10.240 -2.348 1.00 0.00 H new ATOM 194 N ASN A 13 -7.154 9.084 -6.661 1.00 0.00 N ATOM 195 CA ASN A 13 -6.018 9.087 -7.566 1.00 0.00 C ATOM 196 C ASN A 13 -5.320 7.727 -7.579 1.00 0.00 C ATOM 197 O ASN A 13 -4.187 7.595 -8.055 1.00 0.00 O ATOM 198 CB ASN A 13 -5.040 10.179 -7.160 1.00 0.00 C ATOM 199 CG ASN A 13 -5.213 11.446 -7.975 1.00 0.00 C ATOM 200 OD1 ASN A 13 -5.704 11.410 -9.103 1.00 0.00 O ATOM 201 ND2 ASN A 13 -4.808 12.575 -7.405 1.00 0.00 N ATOM 0 H ASN A 13 -8.047 9.300 -7.105 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.381 9.286 -8.574 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.176 10.409 -6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.021 9.811 -7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.898 13.460 -7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.407 12.558 -6.467 1.00 0.00 H new ATOM 208 N TYR A 14 -6.001 6.704 -7.074 1.00 0.00 N ATOM 209 CA TYR A 14 -5.429 5.371 -7.058 1.00 0.00 C ATOM 210 C TYR A 14 -5.046 4.975 -8.476 1.00 0.00 C ATOM 211 O TYR A 14 -3.980 4.409 -8.711 1.00 0.00 O ATOM 212 CB TYR A 14 -6.416 4.369 -6.463 1.00 0.00 C ATOM 213 CG TYR A 14 -5.755 3.127 -5.913 1.00 0.00 C ATOM 214 CD1 TYR A 14 -5.162 2.200 -6.758 1.00 0.00 C ATOM 215 CD2 TYR A 14 -5.719 2.886 -4.547 1.00 0.00 C ATOM 216 CE1 TYR A 14 -4.551 1.066 -6.257 1.00 0.00 C ATOM 217 CE2 TYR A 14 -5.109 1.756 -4.037 1.00 0.00 C ATOM 218 CZ TYR A 14 -4.527 0.849 -4.896 1.00 0.00 C ATOM 219 OH TYR A 14 -3.917 -0.277 -4.393 1.00 0.00 O ATOM 0 H TYR A 14 -6.938 6.774 -6.676 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.537 5.368 -6.432 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.979 4.855 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.135 4.079 -7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.178 2.367 -7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.176 3.594 -3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.095 0.354 -6.928 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.088 1.584 -2.971 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.381 -1.075 -4.722 1.00 0.00 H new ATOM 229 N ASP A 15 -5.915 5.320 -9.424 1.00 0.00 N ATOM 230 CA ASP A 15 -5.666 5.045 -10.832 1.00 0.00 C ATOM 231 C ASP A 15 -4.407 5.775 -11.278 1.00 0.00 C ATOM 232 O ASP A 15 -3.656 5.297 -12.128 1.00 0.00 O ATOM 233 CB ASP A 15 -6.855 5.503 -11.677 1.00 0.00 C ATOM 234 CG ASP A 15 -8.118 4.721 -11.372 1.00 0.00 C ATOM 235 OD1 ASP A 15 -8.534 4.702 -10.195 1.00 0.00 O ATOM 236 OD2 ASP A 15 -8.690 4.129 -12.311 1.00 0.00 O ATOM 0 H ASP A 15 -6.800 5.792 -9.239 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.531 3.972 -10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.036 6.563 -11.500 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.610 5.394 -12.733 1.00 0.00 H new ATOM 241 N LYS A 16 -4.182 6.940 -10.677 1.00 0.00 N ATOM 242 CA LYS A 16 -3.015 7.758 -10.976 1.00 0.00 C ATOM 243 C LYS A 16 -1.757 6.917 -10.951 1.00 0.00 C ATOM 244 O LYS A 16 -0.889 7.046 -11.815 1.00 0.00 O ATOM 245 CB LYS A 16 -2.909 8.887 -9.950 1.00 0.00 C ATOM 246 CG LYS A 16 -2.311 10.170 -10.490 1.00 0.00 C ATOM 247 CD LYS A 16 -3.355 11.262 -10.576 1.00 0.00 C ATOM 248 CE LYS A 16 -3.034 12.262 -11.675 1.00 0.00 C ATOM 249 NZ LYS A 16 -3.959 13.428 -11.653 1.00 0.00 N ATOM 0 H LYS A 16 -4.801 7.340 -9.973 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.126 8.182 -11.974 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.904 9.101 -9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.304 8.543 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.494 10.494 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.886 9.990 -11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.332 10.817 -10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.419 11.781 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.008 12.611 -11.560 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.096 11.768 -12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.706 14.086 -12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.936 13.099 -11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.882 13.915 -10.737 1.00 0.00 H new ATOM 263 N PHE A 17 -1.663 6.058 -9.954 1.00 0.00 N ATOM 264 CA PHE A 17 -0.502 5.198 -9.821 1.00 0.00 C ATOM 265 C PHE A 17 -0.502 4.145 -10.917 1.00 0.00 C ATOM 266 O PHE A 17 0.538 3.830 -11.483 1.00 0.00 O ATOM 267 CB PHE A 17 -0.459 4.570 -8.423 1.00 0.00 C ATOM 268 CG PHE A 17 -0.133 5.575 -7.360 1.00 0.00 C ATOM 269 CD1 PHE A 17 -0.567 6.883 -7.506 1.00 0.00 C ATOM 270 CD2 PHE A 17 0.618 5.237 -6.235 1.00 0.00 C ATOM 271 CE1 PHE A 17 -0.269 7.840 -6.573 1.00 0.00 C ATOM 272 CE2 PHE A 17 0.917 6.199 -5.289 1.00 0.00 C ATOM 273 CZ PHE A 17 0.475 7.502 -5.461 1.00 0.00 C ATOM 0 H PHE A 17 -2.370 5.937 -9.229 1.00 0.00 H new ATOM 0 HA PHE A 17 0.403 5.795 -9.937 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.423 4.111 -8.203 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.285 3.773 -8.407 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.152 7.153 -8.373 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.966 4.223 -6.103 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.615 8.854 -6.707 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.495 5.936 -4.416 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.713 8.254 -4.723 1.00 0.00 H new ATOM 283 N MET A 18 -1.679 3.625 -11.241 1.00 0.00 N ATOM 284 CA MET A 18 -1.799 2.630 -12.293 1.00 0.00 C ATOM 285 C MET A 18 -1.169 3.129 -13.591 1.00 0.00 C ATOM 286 O MET A 18 -0.636 2.340 -14.371 1.00 0.00 O ATOM 287 CB MET A 18 -3.267 2.280 -12.527 1.00 0.00 C ATOM 288 CG MET A 18 -3.801 1.261 -11.540 1.00 0.00 C ATOM 289 SD MET A 18 -3.657 1.807 -9.830 1.00 0.00 S ATOM 290 CE MET A 18 -2.855 0.389 -9.086 1.00 0.00 C ATOM 0 H MET A 18 -2.559 3.876 -10.791 1.00 0.00 H new ATOM 0 HA MET A 18 -1.266 1.735 -11.973 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.866 3.189 -12.461 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.385 1.893 -13.539 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.848 1.057 -11.765 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.260 0.323 -11.664 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.466 0.015 -8.264 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.735 -0.395 -9.834 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.876 0.682 -8.707 1.00 0.00 H new ATOM 300 N GLU A 19 -1.238 4.440 -13.828 1.00 0.00 N ATOM 301 CA GLU A 19 -0.674 5.010 -15.047 1.00 0.00 C ATOM 302 C GLU A 19 0.805 5.366 -14.884 1.00 0.00 C ATOM 303 O GLU A 19 1.659 4.847 -15.602 1.00 0.00 O ATOM 304 CB GLU A 19 -1.466 6.250 -15.465 1.00 0.00 C ATOM 305 CG GLU A 19 -2.972 6.058 -15.407 1.00 0.00 C ATOM 306 CD GLU A 19 -3.456 4.954 -16.326 1.00 0.00 C ATOM 307 OE1 GLU A 19 -2.718 4.602 -17.270 1.00 0.00 O ATOM 308 OE2 GLU A 19 -4.572 4.441 -16.101 1.00 0.00 O ATOM 0 H GLU A 19 -1.673 5.117 -13.201 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.747 4.250 -15.825 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.189 7.083 -14.818 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.182 6.527 -16.480 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.266 5.828 -14.383 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.464 6.992 -15.677 1.00 0.00 H new ATOM 315 N LYS A 20 1.100 6.258 -13.943 1.00 0.00 N ATOM 316 CA LYS A 20 2.472 6.690 -13.693 1.00 0.00 C ATOM 317 C LYS A 20 3.342 5.528 -13.215 1.00 0.00 C ATOM 318 O LYS A 20 4.568 5.575 -13.320 1.00 0.00 O ATOM 319 CB LYS A 20 2.474 7.825 -12.675 1.00 0.00 C ATOM 320 CG LYS A 20 3.857 8.357 -12.343 1.00 0.00 C ATOM 321 CD LYS A 20 4.135 9.689 -13.024 1.00 0.00 C ATOM 322 CE LYS A 20 5.603 9.821 -13.398 1.00 0.00 C ATOM 323 NZ LYS A 20 5.832 9.577 -14.849 1.00 0.00 N ATOM 0 H LYS A 20 0.405 6.697 -13.339 1.00 0.00 H new ATOM 0 HA LYS A 20 2.899 7.051 -14.629 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.864 8.643 -13.058 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.000 7.476 -11.757 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.950 8.476 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.608 7.629 -12.650 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.520 9.778 -13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.852 10.506 -12.360 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.955 10.819 -13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.191 9.113 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.845 9.677 -15.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.520 8.615 -15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.291 10.268 -15.407 1.00 0.00 H new ATOM 337 N MET A 21 2.705 4.479 -12.701 1.00 0.00 N ATOM 338 CA MET A 21 3.431 3.307 -12.223 1.00 0.00 C ATOM 339 C MET A 21 3.271 2.129 -13.182 1.00 0.00 C ATOM 340 O MET A 21 3.942 1.107 -13.035 1.00 0.00 O ATOM 341 CB MET A 21 2.944 2.901 -10.829 1.00 0.00 C ATOM 342 CG MET A 21 3.778 1.811 -10.177 1.00 0.00 C ATOM 343 SD MET A 21 3.523 1.722 -8.394 1.00 0.00 S ATOM 344 CE MET A 21 1.743 1.545 -8.315 1.00 0.00 C ATOM 0 H MET A 21 1.691 4.417 -12.605 1.00 0.00 H new ATOM 0 HA MET A 21 4.486 3.574 -12.171 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.945 3.780 -10.184 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.911 2.560 -10.901 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.528 0.849 -10.625 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.833 1.993 -10.382 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.389 1.862 -7.334 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.281 2.163 -9.085 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.474 0.501 -8.478 1.00 0.00 H new ATOM 354 N GLY A 22 2.373 2.267 -14.156 1.00 0.00 N ATOM 355 CA GLY A 22 2.146 1.193 -15.102 1.00 0.00 C ATOM 356 C GLY A 22 1.674 -0.068 -14.411 1.00 0.00 C ATOM 357 O GLY A 22 2.241 -1.144 -14.605 1.00 0.00 O ATOM 0 H GLY A 22 1.803 3.100 -14.304 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.404 1.505 -15.837 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.067 0.987 -15.647 1.00 0.00 H new ATOM 361 N VAL A 23 0.638 0.071 -13.591 1.00 0.00 N ATOM 362 CA VAL A 23 0.090 -1.061 -12.851 1.00 0.00 C ATOM 363 C VAL A 23 -1.012 -1.752 -13.647 1.00 0.00 C ATOM 364 O VAL A 23 -1.988 -1.122 -14.053 1.00 0.00 O ATOM 365 CB VAL A 23 -0.469 -0.621 -11.480 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.662 -1.818 -10.561 1.00 0.00 C ATOM 367 CG2 VAL A 23 0.448 0.407 -10.833 1.00 0.00 C ATOM 0 H VAL A 23 0.160 0.956 -13.422 1.00 0.00 H new ATOM 0 HA VAL A 23 0.908 -1.762 -12.688 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.443 -0.160 -11.645 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.056 -1.481 -9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.363 -2.517 -11.016 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.295 -2.315 -10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.037 0.705 -9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.437 -0.028 -10.688 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.527 1.281 -11.479 1.00 0.00 H new ATOM 377 N ASN A 24 -0.844 -3.051 -13.871 1.00 0.00 N ATOM 378 CA ASN A 24 -1.807 -3.836 -14.620 1.00 0.00 C ATOM 379 C ASN A 24 -3.200 -3.744 -14.003 1.00 0.00 C ATOM 380 O ASN A 24 -3.346 -3.602 -12.789 1.00 0.00 O ATOM 381 CB ASN A 24 -1.350 -5.291 -14.669 1.00 0.00 C ATOM 382 CG ASN A 24 -0.883 -5.804 -13.320 1.00 0.00 C ATOM 383 OD1 ASN A 24 -1.473 -5.491 -12.286 1.00 0.00 O ATOM 384 ND2 ASN A 24 0.182 -6.597 -13.325 1.00 0.00 N ATOM 0 H ASN A 24 -0.040 -3.583 -13.539 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.865 -3.435 -15.632 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.171 -5.913 -15.025 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.539 -5.389 -15.391 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.542 -6.973 -12.448 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.640 -6.830 -14.206 1.00 0.00 H new ATOM 391 N ILE A 25 -4.219 -3.829 -14.852 1.00 0.00 N ATOM 392 CA ILE A 25 -5.603 -3.759 -14.400 1.00 0.00 C ATOM 393 C ILE A 25 -6.046 -5.080 -13.782 1.00 0.00 C ATOM 394 O ILE A 25 -6.883 -5.109 -12.880 1.00 0.00 O ATOM 395 CB ILE A 25 -6.550 -3.398 -15.558 1.00 0.00 C ATOM 396 CG1 ILE A 25 -7.938 -3.050 -15.018 1.00 0.00 C ATOM 397 CG2 ILE A 25 -6.634 -4.538 -16.565 1.00 0.00 C ATOM 398 CD1 ILE A 25 -7.924 -2.020 -13.909 1.00 0.00 C ATOM 0 H ILE A 25 -4.111 -3.947 -15.859 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.653 -2.976 -13.643 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.149 -2.525 -16.072 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.553 -2.679 -15.838 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.412 -3.960 -14.650 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.309 -4.260 -17.374 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.643 -4.738 -16.972 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.010 -5.433 -16.070 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.945 -1.827 -13.579 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.337 -2.396 -13.071 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.480 -1.095 -14.277 1.00 0.00 H new ATOM 410 N VAL A 26 -5.478 -6.172 -14.279 1.00 0.00 N ATOM 411 CA VAL A 26 -5.807 -7.506 -13.787 1.00 0.00 C ATOM 412 C VAL A 26 -5.637 -7.597 -12.274 1.00 0.00 C ATOM 413 O VAL A 26 -6.513 -8.099 -11.570 1.00 0.00 O ATOM 414 CB VAL A 26 -4.931 -8.583 -14.456 1.00 0.00 C ATOM 415 CG1 VAL A 26 -5.399 -9.976 -14.061 1.00 0.00 C ATOM 416 CG2 VAL A 26 -4.941 -8.418 -15.970 1.00 0.00 C ATOM 0 H VAL A 26 -4.784 -6.160 -15.026 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.852 -7.685 -14.042 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.906 -8.457 -14.107 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.768 -10.722 -14.544 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.332 -10.089 -12.979 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.433 -10.116 -14.377 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.317 -9.188 -16.424 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.962 -8.514 -16.340 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.551 -7.434 -16.231 1.00 0.00 H new ATOM 426 N LYS A 27 -4.506 -7.105 -11.780 1.00 0.00 N ATOM 427 CA LYS A 27 -4.224 -7.127 -10.349 1.00 0.00 C ATOM 428 C LYS A 27 -4.858 -5.924 -9.660 1.00 0.00 C ATOM 429 O LYS A 27 -5.225 -5.988 -8.486 1.00 0.00 O ATOM 430 CB LYS A 27 -2.714 -7.135 -10.104 1.00 0.00 C ATOM 431 CG LYS A 27 -2.320 -7.714 -8.755 1.00 0.00 C ATOM 432 CD LYS A 27 -1.902 -9.170 -8.874 1.00 0.00 C ATOM 433 CE LYS A 27 -0.389 -9.314 -8.916 1.00 0.00 C ATOM 434 NZ LYS A 27 0.230 -9.068 -7.585 1.00 0.00 N ATOM 0 H LYS A 27 -3.770 -6.686 -12.349 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.654 -8.036 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.229 -7.711 -10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.337 -6.115 -10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.500 -7.132 -8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.158 -7.630 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.299 -9.734 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.335 -9.601 -9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.129 -10.316 -9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.022 -8.613 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.210 -9.417 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.226 -8.048 -7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.313 -9.567 -6.852 1.00 0.00 H new ATOM 448 N ARG A 28 -4.984 -4.829 -10.401 1.00 0.00 N ATOM 449 CA ARG A 28 -5.573 -3.607 -9.873 1.00 0.00 C ATOM 450 C ARG A 28 -7.084 -3.748 -9.705 1.00 0.00 C ATOM 451 O ARG A 28 -7.692 -3.057 -8.890 1.00 0.00 O ATOM 452 CB ARG A 28 -5.266 -2.432 -10.793 1.00 0.00 C ATOM 453 CG ARG A 28 -5.714 -1.113 -10.225 1.00 0.00 C ATOM 454 CD ARG A 28 -7.023 -0.673 -10.828 1.00 0.00 C ATOM 455 NE ARG A 28 -6.849 -0.063 -12.144 1.00 0.00 N ATOM 456 CZ ARG A 28 -7.741 0.746 -12.710 1.00 0.00 C ATOM 457 NH1 ARG A 28 -8.871 1.044 -12.081 1.00 0.00 N ATOM 458 NH2 ARG A 28 -7.504 1.258 -13.910 1.00 0.00 N ATOM 0 H ARG A 28 -4.684 -4.764 -11.374 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.134 -3.423 -8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.193 -2.395 -10.982 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.754 -2.593 -11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.820 -1.198 -9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.952 -0.356 -10.413 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.688 -1.532 -10.913 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.507 0.040 -10.160 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.993 -0.269 -12.659 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.060 0.652 -11.158 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.551 1.665 -12.520 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.638 1.032 -14.399 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.188 1.878 -14.344 1.00 0.00 H new ATOM 472 N LYS A 29 -7.686 -4.641 -10.483 1.00 0.00 N ATOM 473 CA LYS A 29 -9.128 -4.867 -10.423 1.00 0.00 C ATOM 474 C LYS A 29 -9.610 -4.993 -8.980 1.00 0.00 C ATOM 475 O LYS A 29 -10.649 -4.445 -8.612 1.00 0.00 O ATOM 476 CB LYS A 29 -9.497 -6.126 -11.207 1.00 0.00 C ATOM 477 CG LYS A 29 -9.850 -5.851 -12.660 1.00 0.00 C ATOM 478 CD LYS A 29 -9.117 -6.792 -13.604 1.00 0.00 C ATOM 479 CE LYS A 29 -10.061 -7.412 -14.621 1.00 0.00 C ATOM 480 NZ LYS A 29 -11.077 -8.289 -13.974 1.00 0.00 N ATOM 0 H LYS A 29 -7.198 -5.222 -11.164 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.621 -4.005 -10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.662 -6.826 -11.170 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.343 -6.613 -10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.925 -5.960 -12.800 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.599 -4.819 -12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.329 -6.246 -14.123 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.632 -7.581 -13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.565 -6.622 -15.177 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.487 -7.993 -15.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.422 -8.987 -14.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.646 -8.783 -13.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.873 -7.710 -13.640 1.00 0.00 H new ATOM 494 N LEU A 30 -8.849 -5.719 -8.169 1.00 0.00 N ATOM 495 CA LEU A 30 -9.197 -5.918 -6.770 1.00 0.00 C ATOM 496 C LEU A 30 -8.262 -5.133 -5.852 1.00 0.00 C ATOM 497 O LEU A 30 -8.525 -4.993 -4.659 1.00 0.00 O ATOM 498 CB LEU A 30 -9.137 -7.406 -6.427 1.00 0.00 C ATOM 499 CG LEU A 30 -9.740 -8.339 -7.482 1.00 0.00 C ATOM 500 CD1 LEU A 30 -8.867 -9.571 -7.676 1.00 0.00 C ATOM 501 CD2 LEU A 30 -11.155 -8.740 -7.091 1.00 0.00 C ATOM 0 H LEU A 30 -7.986 -6.180 -8.458 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.211 -5.550 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.095 -7.685 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.656 -7.567 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.783 -7.802 -8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.315 -10.219 -8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.874 -9.265 -8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.787 -10.112 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.569 -9.403 -7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.135 -9.257 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.777 -7.848 -7.010 1.00 0.00 H new ATOM 513 N ALA A 31 -7.165 -4.631 -6.409 1.00 0.00 N ATOM 514 CA ALA A 31 -6.194 -3.873 -5.631 1.00 0.00 C ATOM 515 C ALA A 31 -6.464 -2.371 -5.685 1.00 0.00 C ATOM 516 O ALA A 31 -5.926 -1.612 -4.879 1.00 0.00 O ATOM 517 CB ALA A 31 -4.786 -4.169 -6.123 1.00 0.00 C ATOM 0 H ALA A 31 -6.927 -4.736 -7.395 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.290 -4.186 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.068 -3.598 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.579 -5.234 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.701 -3.888 -7.173 1.00 0.00 H new ATOM 523 N ALA A 32 -7.281 -1.937 -6.643 1.00 0.00 N ATOM 524 CA ALA A 32 -7.582 -0.515 -6.787 1.00 0.00 C ATOM 525 C ALA A 32 -8.167 0.079 -5.512 1.00 0.00 C ATOM 526 O ALA A 32 -7.720 1.131 -5.058 1.00 0.00 O ATOM 527 CB ALA A 32 -8.537 -0.286 -7.946 1.00 0.00 C ATOM 0 H ALA A 32 -7.741 -2.542 -7.323 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.638 -0.008 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.749 0.779 -8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.082 -0.646 -8.869 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -9.466 -0.827 -7.764 1.00 0.00 H new ATOM 533 N HIS A 33 -9.165 -0.591 -4.934 1.00 0.00 N ATOM 534 CA HIS A 33 -9.802 -0.107 -3.707 1.00 0.00 C ATOM 535 C HIS A 33 -11.082 -0.879 -3.394 1.00 0.00 C ATOM 536 O HIS A 33 -11.385 -1.154 -2.233 1.00 0.00 O ATOM 537 CB HIS A 33 -10.138 1.382 -3.824 1.00 0.00 C ATOM 538 CG HIS A 33 -11.088 1.694 -4.937 1.00 0.00 C ATOM 539 ND1 HIS A 33 -10.692 2.259 -6.131 1.00 0.00 N ATOM 540 CD2 HIS A 33 -12.426 1.514 -5.034 1.00 0.00 C ATOM 541 CE1 HIS A 33 -11.746 2.415 -6.913 1.00 0.00 C ATOM 542 NE2 HIS A 33 -12.810 1.970 -6.271 1.00 0.00 N ATOM 0 H HIS A 33 -9.548 -1.465 -5.293 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.090 -0.263 -2.896 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.568 1.724 -2.883 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.216 1.944 -3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -13.072 1.090 -4.279 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.738 2.835 -7.908 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.763 1.966 -6.635 1.00 0.00 H new ATOM 551 N ASP A 34 -11.840 -1.201 -4.435 1.00 0.00 N ATOM 552 CA ASP A 34 -13.103 -1.913 -4.279 1.00 0.00 C ATOM 553 C ASP A 34 -12.935 -3.212 -3.498 1.00 0.00 C ATOM 554 O ASP A 34 -13.576 -3.412 -2.467 1.00 0.00 O ATOM 555 CB ASP A 34 -13.716 -2.207 -5.649 1.00 0.00 C ATOM 556 CG ASP A 34 -13.824 -0.966 -6.513 1.00 0.00 C ATOM 557 OD1 ASP A 34 -14.748 -0.159 -6.279 1.00 0.00 O ATOM 558 OD2 ASP A 34 -12.984 -0.801 -7.422 1.00 0.00 O ATOM 0 H ASP A 34 -11.601 -0.979 -5.401 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.771 -1.267 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.109 -2.952 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.707 -2.640 -5.515 1.00 0.00 H new ATOM 563 N ASN A 35 -12.084 -4.100 -3.999 1.00 0.00 N ATOM 564 CA ASN A 35 -11.857 -5.379 -3.348 1.00 0.00 C ATOM 565 C ASN A 35 -10.424 -5.505 -2.848 1.00 0.00 C ATOM 566 O ASN A 35 -9.864 -6.601 -2.811 1.00 0.00 O ATOM 567 CB ASN A 35 -12.179 -6.529 -4.305 1.00 0.00 C ATOM 568 CG ASN A 35 -13.515 -6.347 -4.998 1.00 0.00 C ATOM 569 OD1 ASN A 35 -13.713 -5.391 -5.748 1.00 0.00 O ATOM 570 ND2 ASN A 35 -14.440 -7.267 -4.751 1.00 0.00 N ATOM 0 H ASN A 35 -11.543 -3.956 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.522 -5.432 -2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.391 -6.606 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.185 -7.468 -3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.358 -7.198 -5.190 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.232 -8.043 -4.122 1.00 0.00 H new ATOM 577 N LEU A 36 -9.833 -4.380 -2.464 1.00 0.00 N ATOM 578 CA LEU A 36 -8.464 -4.374 -1.967 1.00 0.00 C ATOM 579 C LEU A 36 -8.425 -4.698 -0.477 1.00 0.00 C ATOM 580 O LEU A 36 -8.951 -3.950 0.347 1.00 0.00 O ATOM 581 CB LEU A 36 -7.810 -3.015 -2.227 1.00 0.00 C ATOM 582 CG LEU A 36 -6.409 -2.843 -1.637 1.00 0.00 C ATOM 583 CD1 LEU A 36 -5.436 -3.820 -2.278 1.00 0.00 C ATOM 584 CD2 LEU A 36 -5.927 -1.412 -1.819 1.00 0.00 C ATOM 0 H LEU A 36 -10.279 -3.463 -2.487 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.906 -5.143 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.755 -2.856 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.456 -2.236 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.456 -3.057 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.445 -3.683 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.773 -4.841 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.392 -3.638 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.929 -1.307 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.896 -1.171 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.611 -0.731 -1.312 1.00 0.00 H new ATOM 596 N LYS A 37 -7.794 -5.818 -0.140 1.00 0.00 N ATOM 597 CA LYS A 37 -7.677 -6.246 1.247 1.00 0.00 C ATOM 598 C LYS A 37 -6.246 -6.087 1.725 1.00 0.00 C ATOM 599 O LYS A 37 -5.325 -6.711 1.203 1.00 0.00 O ATOM 600 CB LYS A 37 -8.139 -7.699 1.399 1.00 0.00 C ATOM 601 CG LYS A 37 -7.725 -8.355 2.709 1.00 0.00 C ATOM 602 CD LYS A 37 -8.126 -7.514 3.910 1.00 0.00 C ATOM 603 CE LYS A 37 -9.626 -7.270 3.947 1.00 0.00 C ATOM 604 NZ LYS A 37 -10.386 -8.520 4.221 1.00 0.00 N ATOM 0 H LYS A 37 -7.355 -6.447 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.320 -5.617 1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.225 -7.733 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.738 -8.284 0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.186 -9.340 2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.646 -8.507 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.816 -8.016 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.602 -6.559 3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.855 -6.531 4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.949 -6.850 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.352 -8.280 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.425 -9.099 3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.912 -9.056 4.976 1.00 0.00 H new ATOM 618 N LEU A 38 -6.080 -5.241 2.722 1.00 0.00 N ATOM 619 CA LEU A 38 -4.779 -4.971 3.301 1.00 0.00 C ATOM 620 C LEU A 38 -4.771 -5.463 4.748 1.00 0.00 C ATOM 621 O LEU A 38 -5.686 -5.166 5.507 1.00 0.00 O ATOM 622 CB LEU A 38 -4.500 -3.461 3.206 1.00 0.00 C ATOM 623 CG LEU A 38 -3.029 -3.042 2.996 1.00 0.00 C ATOM 624 CD1 LEU A 38 -2.289 -4.027 2.097 1.00 0.00 C ATOM 625 CD2 LEU A 38 -2.944 -1.639 2.398 1.00 0.00 C ATOM 0 H LEU A 38 -6.844 -4.721 3.154 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.990 -5.496 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.090 -3.057 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.861 -2.990 4.120 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.551 -3.043 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.257 -3.700 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.303 -5.017 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.777 -4.069 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.898 -1.365 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.454 -1.622 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.419 -0.927 3.073 1.00 0.00 H new ATOM 637 N THR A 39 -3.769 -6.253 5.121 1.00 0.00 N ATOM 638 CA THR A 39 -3.712 -6.797 6.478 1.00 0.00 C ATOM 639 C THR A 39 -2.442 -6.375 7.208 1.00 0.00 C ATOM 640 O THR A 39 -1.418 -6.088 6.588 1.00 0.00 O ATOM 641 CB THR A 39 -3.816 -8.323 6.446 1.00 0.00 C ATOM 642 OG1 THR A 39 -5.005 -8.730 5.794 1.00 0.00 O ATOM 643 CG2 THR A 39 -3.809 -8.953 7.822 1.00 0.00 C ATOM 0 H THR A 39 -2.996 -6.529 4.516 1.00 0.00 H new ATOM 0 HA THR A 39 -4.561 -6.389 7.027 1.00 0.00 H new ATOM 0 HB THR A 39 -2.932 -8.661 5.905 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.858 -8.744 4.825 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.885 -10.036 7.727 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.881 -8.698 8.334 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.656 -8.579 8.398 1.00 0.00 H new ATOM 651 N ILE A 40 -2.528 -6.341 8.536 1.00 0.00 N ATOM 652 CA ILE A 40 -1.401 -5.953 9.374 1.00 0.00 C ATOM 653 C ILE A 40 -1.150 -6.982 10.476 1.00 0.00 C ATOM 654 O ILE A 40 -2.079 -7.418 11.156 1.00 0.00 O ATOM 655 CB ILE A 40 -1.646 -4.574 10.023 1.00 0.00 C ATOM 656 CG1 ILE A 40 -1.939 -3.525 8.948 1.00 0.00 C ATOM 657 CG2 ILE A 40 -0.448 -4.154 10.867 1.00 0.00 C ATOM 658 CD1 ILE A 40 -2.441 -2.212 9.508 1.00 0.00 C ATOM 0 H ILE A 40 -3.373 -6.579 9.055 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.525 -5.900 8.728 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.513 -4.652 10.679 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.031 -3.342 8.373 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.681 -3.923 8.256 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.642 -3.179 11.315 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.282 -4.889 11.655 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.438 -4.093 10.236 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.628 -1.516 8.691 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.366 -2.381 10.059 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.691 -1.792 10.178 1.00 0.00 H new ATOM 670 N THR A 41 0.114 -7.356 10.650 1.00 0.00 N ATOM 671 CA THR A 41 0.494 -8.323 11.675 1.00 0.00 C ATOM 672 C THR A 41 1.630 -7.775 12.534 1.00 0.00 C ATOM 673 O THR A 41 2.342 -6.859 12.123 1.00 0.00 O ATOM 674 CB THR A 41 0.913 -9.645 11.033 1.00 0.00 C ATOM 675 OG1 THR A 41 0.059 -9.971 9.952 1.00 0.00 O ATOM 676 CG2 THR A 41 0.896 -10.811 11.999 1.00 0.00 C ATOM 0 H THR A 41 0.893 -7.004 10.094 1.00 0.00 H new ATOM 0 HA THR A 41 -0.371 -8.502 12.313 1.00 0.00 H new ATOM 0 HB THR A 41 1.937 -9.489 10.694 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.233 -9.364 9.203 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.204 -11.718 11.479 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.584 -10.613 12.821 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.112 -10.942 12.393 1.00 0.00 H new ATOM 684 N GLN A 42 1.789 -8.332 13.732 1.00 0.00 N ATOM 685 CA GLN A 42 2.834 -7.882 14.647 1.00 0.00 C ATOM 686 C GLN A 42 3.883 -8.966 14.878 1.00 0.00 C ATOM 687 O GLN A 42 3.553 -10.129 15.113 1.00 0.00 O ATOM 688 CB GLN A 42 2.220 -7.461 15.985 1.00 0.00 C ATOM 689 CG GLN A 42 2.297 -5.965 16.245 1.00 0.00 C ATOM 690 CD GLN A 42 1.152 -5.463 17.103 1.00 0.00 C ATOM 691 OE1 GLN A 42 0.547 -6.223 17.859 1.00 0.00 O ATOM 692 NE2 GLN A 42 0.847 -4.175 16.988 1.00 0.00 N ATOM 0 H GLN A 42 1.211 -9.092 14.090 1.00 0.00 H new ATOM 0 HA GLN A 42 3.328 -7.026 14.188 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.176 -7.773 16.010 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.730 -7.988 16.791 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.242 -5.733 16.735 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.293 -5.434 15.293 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.375 -3.581 16.349 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.085 -3.780 17.539 1.00 0.00 H new ATOM 701 N GLU A 43 5.148 -8.565 14.821 1.00 0.00 N ATOM 702 CA GLU A 43 6.263 -9.481 15.033 1.00 0.00 C ATOM 703 C GLU A 43 7.561 -8.700 15.189 1.00 0.00 C ATOM 704 O GLU A 43 8.249 -8.417 14.208 1.00 0.00 O ATOM 705 CB GLU A 43 6.386 -10.462 13.868 1.00 0.00 C ATOM 706 CG GLU A 43 5.505 -11.692 14.009 1.00 0.00 C ATOM 707 CD GLU A 43 6.222 -12.971 13.624 1.00 0.00 C ATOM 708 OE1 GLU A 43 6.246 -13.297 12.419 1.00 0.00 O ATOM 709 OE2 GLU A 43 6.759 -13.646 14.527 1.00 0.00 O ATOM 0 H GLU A 43 5.428 -7.603 14.628 1.00 0.00 H new ATOM 0 HA GLU A 43 6.072 -10.046 15.945 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.130 -9.947 12.942 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.425 -10.779 13.779 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.159 -11.770 15.040 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.620 -11.574 13.384 1.00 0.00 H new ATOM 716 N GLY A 44 7.885 -8.341 16.425 1.00 0.00 N ATOM 717 CA GLY A 44 9.093 -7.579 16.679 1.00 0.00 C ATOM 718 C GLY A 44 9.092 -6.260 15.927 1.00 0.00 C ATOM 719 O GLY A 44 8.070 -5.575 15.882 1.00 0.00 O ATOM 0 H GLY A 44 7.334 -8.563 17.254 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.185 -7.388 17.748 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.963 -8.166 16.384 1.00 0.00 H new ATOM 723 N ASN A 45 10.220 -5.905 15.317 1.00 0.00 N ATOM 724 CA ASN A 45 10.304 -4.666 14.553 1.00 0.00 C ATOM 725 C ASN A 45 9.846 -4.889 13.116 1.00 0.00 C ATOM 726 O ASN A 45 10.085 -4.055 12.242 1.00 0.00 O ATOM 727 CB ASN A 45 11.732 -4.117 14.558 1.00 0.00 C ATOM 728 CG ASN A 45 12.774 -5.192 14.319 1.00 0.00 C ATOM 729 OD1 ASN A 45 12.915 -5.611 13.067 1.00 0.00 O flip ATOM 730 ND2 ASN A 45 13.445 -5.641 15.249 1.00 0.00 N flip ATOM 0 H ASN A 45 11.080 -6.453 15.337 1.00 0.00 H new ATOM 0 HA ASN A 45 9.646 -3.938 15.028 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.824 -3.350 13.789 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.928 -3.634 15.515 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.303 -5.290 16.196 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.142 -6.364 15.072 1.00 0.00 H new ATOM 737 N LYS A 46 9.191 -6.022 12.873 1.00 0.00 N ATOM 738 CA LYS A 46 8.710 -6.350 11.539 1.00 0.00 C ATOM 739 C LYS A 46 7.239 -6.757 11.565 1.00 0.00 C ATOM 740 O LYS A 46 6.791 -7.468 12.465 1.00 0.00 O ATOM 741 CB LYS A 46 9.576 -7.463 10.927 1.00 0.00 C ATOM 742 CG LYS A 46 8.969 -8.857 11.014 1.00 0.00 C ATOM 743 CD LYS A 46 8.094 -9.166 9.811 1.00 0.00 C ATOM 744 CE LYS A 46 8.669 -10.307 8.989 1.00 0.00 C ATOM 745 NZ LYS A 46 8.805 -11.555 9.790 1.00 0.00 N ATOM 0 H LYS A 46 8.983 -6.725 13.582 1.00 0.00 H new ATOM 0 HA LYS A 46 8.791 -5.459 10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.762 -7.226 9.879 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.544 -7.470 11.429 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.766 -9.597 11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.377 -8.940 11.925 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.090 -9.426 10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.001 -8.277 9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.026 -10.496 8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.645 -10.018 8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.750 -12.380 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.722 -11.555 10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.038 -11.603 10.491 1.00 0.00 H new ATOM 759 N PHE A 47 6.496 -6.303 10.563 1.00 0.00 N ATOM 760 CA PHE A 47 5.078 -6.615 10.450 1.00 0.00 C ATOM 761 C PHE A 47 4.847 -7.546 9.263 1.00 0.00 C ATOM 762 O PHE A 47 5.764 -7.816 8.493 1.00 0.00 O ATOM 763 CB PHE A 47 4.258 -5.331 10.261 1.00 0.00 C ATOM 764 CG PHE A 47 4.186 -4.435 11.475 1.00 0.00 C ATOM 765 CD1 PHE A 47 4.946 -4.687 12.609 1.00 0.00 C ATOM 766 CD2 PHE A 47 3.348 -3.330 11.473 1.00 0.00 C ATOM 767 CE1 PHE A 47 4.871 -3.857 13.711 1.00 0.00 C ATOM 768 CE2 PHE A 47 3.270 -2.497 12.573 1.00 0.00 C ATOM 769 CZ PHE A 47 4.032 -2.761 13.693 1.00 0.00 C ATOM 0 H PHE A 47 6.856 -5.713 9.812 1.00 0.00 H new ATOM 0 HA PHE A 47 4.757 -7.106 11.368 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.685 -4.764 9.434 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.244 -5.605 9.970 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.604 -5.543 12.630 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.748 -3.118 10.600 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.469 -4.066 14.586 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.613 -1.640 12.556 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.972 -2.111 14.554 1.00 0.00 H new ATOM 779 N THR A 48 3.622 -8.031 9.113 1.00 0.00 N ATOM 780 CA THR A 48 3.286 -8.923 8.007 1.00 0.00 C ATOM 781 C THR A 48 2.083 -8.387 7.238 1.00 0.00 C ATOM 782 O THR A 48 1.001 -8.225 7.802 1.00 0.00 O ATOM 783 CB THR A 48 2.985 -10.330 8.524 1.00 0.00 C ATOM 784 OG1 THR A 48 3.861 -10.677 9.582 1.00 0.00 O ATOM 785 CG2 THR A 48 3.109 -11.397 7.458 1.00 0.00 C ATOM 0 H THR A 48 2.845 -7.824 9.740 1.00 0.00 H new ATOM 0 HA THR A 48 4.143 -8.971 7.336 1.00 0.00 H new ATOM 0 HB THR A 48 1.950 -10.296 8.865 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.650 -11.580 9.899 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.883 -12.372 7.891 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.408 -11.187 6.650 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.126 -11.402 7.065 1.00 0.00 H new ATOM 793 N VAL A 49 2.272 -8.114 5.951 1.00 0.00 N ATOM 794 CA VAL A 49 1.188 -7.600 5.122 1.00 0.00 C ATOM 795 C VAL A 49 0.485 -8.730 4.385 1.00 0.00 C ATOM 796 O VAL A 49 1.055 -9.352 3.488 1.00 0.00 O ATOM 797 CB VAL A 49 1.686 -6.571 4.088 1.00 0.00 C ATOM 798 CG1 VAL A 49 0.516 -5.791 3.507 1.00 0.00 C ATOM 799 CG2 VAL A 49 2.704 -5.628 4.710 1.00 0.00 C ATOM 0 H VAL A 49 3.159 -8.239 5.462 1.00 0.00 H new ATOM 0 HA VAL A 49 0.491 -7.107 5.799 1.00 0.00 H new ATOM 0 HB VAL A 49 2.176 -7.111 3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.886 -5.069 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.173 -6.479 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.004 -5.265 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.041 -4.911 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.245 -5.095 5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.557 -6.201 5.073 1.00 0.00 H new ATOM 809 N LYS A 50 -0.758 -8.987 4.765 1.00 0.00 N ATOM 810 CA LYS A 50 -1.545 -10.040 4.135 1.00 0.00 C ATOM 811 C LYS A 50 -2.638 -9.435 3.263 1.00 0.00 C ATOM 812 O LYS A 50 -3.579 -8.823 3.766 1.00 0.00 O ATOM 813 CB LYS A 50 -2.161 -10.955 5.197 1.00 0.00 C ATOM 814 CG LYS A 50 -1.525 -12.334 5.253 1.00 0.00 C ATOM 815 CD LYS A 50 -0.473 -12.419 6.347 1.00 0.00 C ATOM 816 CE LYS A 50 -0.376 -13.825 6.918 1.00 0.00 C ATOM 817 NZ LYS A 50 0.493 -13.875 8.126 1.00 0.00 N ATOM 0 H LYS A 50 -1.244 -8.482 5.506 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.884 -10.635 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.066 -10.480 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.227 -11.063 4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.296 -13.084 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.069 -12.565 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.496 -12.120 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.718 -11.717 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.373 -14.183 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.020 -14.499 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.186 -14.655 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.480 -14.030 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.420 -12.976 8.643 1.00 0.00 H new ATOM 831 N GLU A 51 -2.507 -9.606 1.953 1.00 0.00 N ATOM 832 CA GLU A 51 -3.486 -9.069 1.020 1.00 0.00 C ATOM 833 C GLU A 51 -4.411 -10.166 0.508 1.00 0.00 C ATOM 834 O GLU A 51 -4.022 -11.331 0.417 1.00 0.00 O ATOM 835 CB GLU A 51 -2.784 -8.379 -0.153 1.00 0.00 C ATOM 836 CG GLU A 51 -2.966 -6.871 -0.168 1.00 0.00 C ATOM 837 CD GLU A 51 -1.876 -6.160 -0.947 1.00 0.00 C ATOM 838 OE1 GLU A 51 -0.783 -5.949 -0.381 1.00 0.00 O ATOM 839 OE2 GLU A 51 -2.117 -5.814 -2.123 1.00 0.00 O ATOM 0 H GLU A 51 -1.736 -10.110 1.516 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.090 -8.333 1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.719 -8.608 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.165 -8.792 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.935 -6.630 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.976 -6.500 0.857 1.00 0.00 H new ATOM 846 N SER A 52 -5.640 -9.785 0.179 1.00 0.00 N ATOM 847 CA SER A 52 -6.626 -10.733 -0.321 1.00 0.00 C ATOM 848 C SER A 52 -7.446 -10.124 -1.453 1.00 0.00 C ATOM 849 O SER A 52 -7.621 -8.906 -1.525 1.00 0.00 O ATOM 850 CB SER A 52 -7.551 -11.182 0.811 1.00 0.00 C ATOM 851 OG SER A 52 -6.827 -11.387 2.012 1.00 0.00 O ATOM 0 H SER A 52 -5.977 -8.825 0.250 1.00 0.00 H new ATOM 0 HA SER A 52 -6.093 -11.600 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.324 -10.431 0.973 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.058 -12.104 0.526 1.00 0.00 H new ATOM 0 HG SER A 52 -7.442 -11.672 2.720 1.00 0.00 H new ATOM 857 N SER A 53 -7.949 -10.984 -2.332 1.00 0.00 N ATOM 858 CA SER A 53 -8.755 -10.544 -3.463 1.00 0.00 C ATOM 859 C SER A 53 -9.776 -11.612 -3.842 1.00 0.00 C ATOM 860 O SER A 53 -9.949 -12.599 -3.126 1.00 0.00 O ATOM 861 CB SER A 53 -7.860 -10.228 -4.663 1.00 0.00 C ATOM 862 OG SER A 53 -6.572 -9.813 -4.243 1.00 0.00 O ATOM 0 H SER A 53 -7.812 -11.993 -2.282 1.00 0.00 H new ATOM 0 HA SER A 53 -9.288 -9.639 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.772 -11.110 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.319 -9.445 -5.267 1.00 0.00 H new ATOM 0 HG SER A 53 -6.019 -9.619 -5.028 1.00 0.00 H new ATOM 868 N ALA A 54 -10.447 -11.411 -4.970 1.00 0.00 N ATOM 869 CA ALA A 54 -11.448 -12.361 -5.441 1.00 0.00 C ATOM 870 C ALA A 54 -10.841 -13.748 -5.628 1.00 0.00 C ATOM 871 O ALA A 54 -11.157 -14.680 -4.889 1.00 0.00 O ATOM 872 CB ALA A 54 -12.067 -11.874 -6.742 1.00 0.00 C ATOM 0 H ALA A 54 -10.317 -10.600 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.230 -12.433 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.812 -12.593 -7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.543 -10.907 -6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.290 -11.772 -7.499 1.00 0.00 H new ATOM 878 N PHE A 55 -9.968 -13.877 -6.622 1.00 0.00 N ATOM 879 CA PHE A 55 -9.317 -15.152 -6.907 1.00 0.00 C ATOM 880 C PHE A 55 -7.803 -15.052 -6.733 1.00 0.00 C ATOM 881 O PHE A 55 -7.137 -16.047 -6.447 1.00 0.00 O ATOM 882 CB PHE A 55 -9.647 -15.607 -8.330 1.00 0.00 C ATOM 883 CG PHE A 55 -11.117 -15.591 -8.640 1.00 0.00 C ATOM 884 CD1 PHE A 55 -11.924 -16.662 -8.290 1.00 0.00 C ATOM 885 CD2 PHE A 55 -11.691 -14.505 -9.280 1.00 0.00 C ATOM 886 CE1 PHE A 55 -13.276 -16.649 -8.574 1.00 0.00 C ATOM 887 CE2 PHE A 55 -13.043 -14.487 -9.567 1.00 0.00 C ATOM 888 CZ PHE A 55 -13.836 -15.560 -9.213 1.00 0.00 C ATOM 0 H PHE A 55 -9.695 -13.116 -7.243 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.695 -15.887 -6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.128 -14.962 -9.039 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.264 -16.617 -8.478 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.491 -17.516 -7.790 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.075 -13.663 -9.558 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.895 -17.490 -8.297 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.478 -13.635 -10.067 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.893 -15.548 -9.435 1.00 0.00 H new ATOM 898 N ARG A 56 -7.262 -13.849 -6.909 1.00 0.00 N ATOM 899 CA ARG A 56 -5.827 -13.630 -6.772 1.00 0.00 C ATOM 900 C ARG A 56 -5.431 -13.483 -5.306 1.00 0.00 C ATOM 901 O ARG A 56 -6.288 -13.373 -4.429 1.00 0.00 O ATOM 902 CB ARG A 56 -5.405 -12.384 -7.556 1.00 0.00 C ATOM 903 CG ARG A 56 -4.161 -12.592 -8.404 1.00 0.00 C ATOM 904 CD ARG A 56 -4.511 -12.783 -9.872 1.00 0.00 C ATOM 905 NE ARG A 56 -5.607 -13.731 -10.054 1.00 0.00 N ATOM 906 CZ ARG A 56 -6.338 -13.815 -11.164 1.00 0.00 C ATOM 907 NH1 ARG A 56 -6.094 -13.010 -12.190 1.00 0.00 N ATOM 908 NH2 ARG A 56 -7.317 -14.706 -11.246 1.00 0.00 N ATOM 0 H ARG A 56 -7.796 -13.013 -7.146 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.312 -14.501 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.227 -12.075 -8.201 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.225 -11.568 -6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.498 -11.733 -8.296 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.615 -13.464 -8.043 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.787 -11.822 -10.307 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.632 -13.137 -10.411 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.825 -14.366 -9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.343 -12.322 -12.131 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.657 -13.079 -13.038 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.509 -15.326 -10.459 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.877 -14.771 -12.096 1.00 0.00 H new ATOM 922 N ASN A 57 -4.127 -13.481 -5.049 1.00 0.00 N ATOM 923 CA ASN A 57 -3.614 -13.346 -3.690 1.00 0.00 C ATOM 924 C ASN A 57 -2.358 -12.479 -3.666 1.00 0.00 C ATOM 925 O ASN A 57 -1.562 -12.498 -4.604 1.00 0.00 O ATOM 926 CB ASN A 57 -3.307 -14.724 -3.099 1.00 0.00 C ATOM 927 CG ASN A 57 -2.450 -15.570 -4.020 1.00 0.00 C ATOM 928 OD1 ASN A 57 -1.241 -15.364 -4.125 1.00 0.00 O ATOM 929 ND2 ASN A 57 -3.074 -16.529 -4.694 1.00 0.00 N ATOM 0 H ASN A 57 -3.406 -13.571 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.381 -12.861 -3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.797 -14.601 -2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.242 -15.246 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.549 -17.130 -5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.078 -16.665 -4.576 1.00 0.00 H new ATOM 936 N ILE A 58 -2.190 -11.719 -2.588 1.00 0.00 N ATOM 937 CA ILE A 58 -1.031 -10.843 -2.443 1.00 0.00 C ATOM 938 C ILE A 58 -0.666 -10.662 -0.974 1.00 0.00 C ATOM 939 O ILE A 58 -1.513 -10.806 -0.093 1.00 0.00 O ATOM 940 CB ILE A 58 -1.276 -9.453 -3.078 1.00 0.00 C ATOM 941 CG1 ILE A 58 -2.303 -9.543 -4.213 1.00 0.00 C ATOM 942 CG2 ILE A 58 0.033 -8.871 -3.591 1.00 0.00 C ATOM 943 CD1 ILE A 58 -2.735 -8.195 -4.751 1.00 0.00 C ATOM 0 H ILE A 58 -2.840 -11.692 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.207 -11.325 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.678 -8.792 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.880 -10.131 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.181 -10.080 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.153 -7.893 -4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.734 -8.766 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.457 -9.536 -4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.462 -8.338 -5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.188 -7.611 -3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.867 -7.664 -5.141 1.00 0.00 H new ATOM 955 N GLU A 59 0.600 -10.347 -0.717 1.00 0.00 N ATOM 956 CA GLU A 59 1.076 -10.147 0.647 1.00 0.00 C ATOM 957 C GLU A 59 2.554 -9.771 0.659 1.00 0.00 C ATOM 958 O GLU A 59 3.224 -9.822 -0.373 1.00 0.00 O ATOM 959 CB GLU A 59 0.853 -11.411 1.481 1.00 0.00 C ATOM 960 CG GLU A 59 1.314 -12.684 0.790 1.00 0.00 C ATOM 961 CD GLU A 59 1.936 -13.677 1.753 1.00 0.00 C ATOM 962 OE1 GLU A 59 2.878 -13.291 2.476 1.00 0.00 O ATOM 963 OE2 GLU A 59 1.481 -14.839 1.782 1.00 0.00 O ATOM 0 H GLU A 59 1.314 -10.225 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 59 0.507 -9.327 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.382 -11.309 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.208 -11.499 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.465 -13.150 0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.039 -12.431 0.016 1.00 0.00 H new ATOM 970 N VAL A 60 3.059 -9.391 1.831 1.00 0.00 N ATOM 971 CA VAL A 60 4.459 -9.005 1.967 1.00 0.00 C ATOM 972 C VAL A 60 4.798 -8.621 3.405 1.00 0.00 C ATOM 973 O VAL A 60 4.024 -7.944 4.078 1.00 0.00 O ATOM 974 CB VAL A 60 4.803 -7.820 1.044 1.00 0.00 C ATOM 975 CG1 VAL A 60 3.958 -6.605 1.398 1.00 0.00 C ATOM 976 CG2 VAL A 60 6.288 -7.491 1.126 1.00 0.00 C ATOM 0 H VAL A 60 2.521 -9.343 2.696 1.00 0.00 H new ATOM 0 HA VAL A 60 5.051 -9.874 1.680 1.00 0.00 H new ATOM 0 HB VAL A 60 4.575 -8.105 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.215 -5.778 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.902 -6.849 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.151 -6.316 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.512 -6.652 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.546 -7.226 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.871 -8.359 0.818 1.00 0.00 H new ATOM 986 N VAL A 61 5.968 -9.048 3.863 1.00 0.00 N ATOM 987 CA VAL A 61 6.422 -8.739 5.212 1.00 0.00 C ATOM 988 C VAL A 61 6.887 -7.286 5.298 1.00 0.00 C ATOM 989 O VAL A 61 7.160 -6.651 4.280 1.00 0.00 O ATOM 990 CB VAL A 61 7.543 -9.708 5.689 1.00 0.00 C ATOM 991 CG1 VAL A 61 8.027 -10.607 4.564 1.00 0.00 C ATOM 992 CG2 VAL A 61 8.719 -8.964 6.315 1.00 0.00 C ATOM 0 H VAL A 61 6.621 -9.611 3.318 1.00 0.00 H new ATOM 0 HA VAL A 61 5.574 -8.877 5.883 1.00 0.00 H new ATOM 0 HB VAL A 61 7.096 -10.336 6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 61 8.809 -11.268 4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.194 -11.204 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.425 -9.995 3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.476 -9.681 6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.150 -8.282 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.372 -8.396 7.178 1.00 0.00 H new ATOM 1002 N PHE A 62 6.963 -6.766 6.517 1.00 0.00 N ATOM 1003 CA PHE A 62 7.382 -5.388 6.737 1.00 0.00 C ATOM 1004 C PHE A 62 8.360 -5.304 7.897 1.00 0.00 C ATOM 1005 O PHE A 62 8.309 -6.110 8.822 1.00 0.00 O ATOM 1006 CB PHE A 62 6.162 -4.508 7.024 1.00 0.00 C ATOM 1007 CG PHE A 62 5.749 -3.624 5.879 1.00 0.00 C ATOM 1008 CD1 PHE A 62 6.694 -3.025 5.061 1.00 0.00 C ATOM 1009 CD2 PHE A 62 4.407 -3.383 5.632 1.00 0.00 C ATOM 1010 CE1 PHE A 62 6.308 -2.202 4.021 1.00 0.00 C ATOM 1011 CE2 PHE A 62 4.015 -2.564 4.592 1.00 0.00 C ATOM 1012 CZ PHE A 62 4.966 -1.972 3.787 1.00 0.00 C ATOM 0 H PHE A 62 6.739 -7.279 7.370 1.00 0.00 H new ATOM 0 HA PHE A 62 7.879 -5.032 5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.322 -5.149 7.293 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.376 -3.883 7.891 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.744 -3.204 5.239 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.658 -3.842 6.261 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.054 -1.739 3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.965 -2.387 4.409 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.662 -1.329 2.974 1.00 0.00 H new ATOM 1022 N GLU A 63 9.250 -4.326 7.839 1.00 0.00 N ATOM 1023 CA GLU A 63 10.240 -4.141 8.886 1.00 0.00 C ATOM 1024 C GLU A 63 10.599 -2.666 9.036 1.00 0.00 C ATOM 1025 O GLU A 63 11.083 -2.036 8.096 1.00 0.00 O ATOM 1026 CB GLU A 63 11.481 -4.974 8.572 1.00 0.00 C ATOM 1027 CG GLU A 63 12.377 -5.214 9.775 1.00 0.00 C ATOM 1028 CD GLU A 63 13.654 -5.947 9.415 1.00 0.00 C ATOM 1029 OE1 GLU A 63 13.602 -6.834 8.537 1.00 0.00 O ATOM 1030 OE2 GLU A 63 14.707 -5.633 10.009 1.00 0.00 O ATOM 0 H GLU A 63 9.307 -3.649 7.078 1.00 0.00 H new ATOM 0 HA GLU A 63 9.820 -4.478 9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.169 -5.936 8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.058 -4.472 7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.629 -4.257 10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.830 -5.790 10.521 1.00 0.00 H new ATOM 1037 N LEU A 64 10.353 -2.119 10.224 1.00 0.00 N ATOM 1038 CA LEU A 64 10.644 -0.716 10.494 1.00 0.00 C ATOM 1039 C LEU A 64 12.131 -0.427 10.316 1.00 0.00 C ATOM 1040 O LEU A 64 12.966 -0.941 11.059 1.00 0.00 O ATOM 1041 CB LEU A 64 10.197 -0.347 11.912 1.00 0.00 C ATOM 1042 CG LEU A 64 8.756 -0.733 12.264 1.00 0.00 C ATOM 1043 CD1 LEU A 64 8.346 -0.110 13.590 1.00 0.00 C ATOM 1044 CD2 LEU A 64 7.801 -0.304 11.160 1.00 0.00 C ATOM 0 H LEU A 64 9.953 -2.626 11.013 1.00 0.00 H new ATOM 0 HA LEU A 64 10.090 -0.107 9.780 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.869 -0.827 12.624 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.310 0.729 12.043 1.00 0.00 H new ATOM 0 HG LEU A 64 8.707 -1.818 12.360 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.320 -0.395 13.824 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.010 -0.464 14.379 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.414 0.976 13.518 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.783 -0.587 11.429 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.855 0.777 11.032 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.079 -0.794 10.227 1.00 0.00 H new ATOM 1056 N GLY A 65 12.457 0.390 9.316 1.00 0.00 N ATOM 1057 CA GLY A 65 13.846 0.718 9.053 1.00 0.00 C ATOM 1058 C GLY A 65 14.449 -0.185 8.000 1.00 0.00 C ATOM 1059 O GLY A 65 15.663 -0.381 7.954 1.00 0.00 O ATOM 0 H GLY A 65 11.785 0.829 8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 65 13.919 1.755 8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.420 0.633 9.976 1.00 0.00 H new ATOM 1063 N VAL A 66 13.589 -0.736 7.152 1.00 0.00 N ATOM 1064 CA VAL A 66 14.020 -1.626 6.087 1.00 0.00 C ATOM 1065 C VAL A 66 13.309 -1.286 4.790 1.00 0.00 C ATOM 1066 O VAL A 66 12.277 -0.614 4.790 1.00 0.00 O ATOM 1067 CB VAL A 66 13.762 -3.097 6.450 1.00 0.00 C ATOM 1068 CG1 VAL A 66 14.390 -4.025 5.421 1.00 0.00 C ATOM 1069 CG2 VAL A 66 14.294 -3.393 7.844 1.00 0.00 C ATOM 0 H VAL A 66 12.582 -0.579 7.184 1.00 0.00 H new ATOM 0 HA VAL A 66 15.093 -1.487 5.955 1.00 0.00 H new ATOM 0 HB VAL A 66 12.686 -3.273 6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.195 -5.061 5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.960 -3.825 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.466 -3.855 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.106 -4.438 8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.367 -3.201 7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.791 -2.753 8.569 1.00 0.00 H new ATOM 1079 N THR A 67 13.881 -1.732 3.687 1.00 0.00 N ATOM 1080 CA THR A 67 13.324 -1.456 2.376 1.00 0.00 C ATOM 1081 C THR A 67 12.152 -2.380 2.045 1.00 0.00 C ATOM 1082 O THR A 67 12.175 -3.570 2.360 1.00 0.00 O ATOM 1083 CB THR A 67 14.433 -1.580 1.327 1.00 0.00 C ATOM 1084 OG1 THR A 67 15.169 -0.372 1.237 1.00 0.00 O ATOM 1085 CG2 THR A 67 13.938 -1.914 -0.066 1.00 0.00 C ATOM 0 H THR A 67 14.735 -2.290 3.673 1.00 0.00 H new ATOM 0 HA THR A 67 12.928 -0.440 2.374 1.00 0.00 H new ATOM 0 HB THR A 67 15.051 -2.409 1.673 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.600 0.331 0.859 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.786 -1.983 -0.747 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.410 -2.867 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.261 -1.132 -0.409 1.00 0.00 H new ATOM 1093 N PHE A 68 11.138 -1.820 1.384 1.00 0.00 N ATOM 1094 CA PHE A 68 9.966 -2.588 0.983 1.00 0.00 C ATOM 1095 C PHE A 68 10.278 -3.337 -0.305 1.00 0.00 C ATOM 1096 O PHE A 68 11.149 -2.924 -1.072 1.00 0.00 O ATOM 1097 CB PHE A 68 8.755 -1.668 0.782 1.00 0.00 C ATOM 1098 CG PHE A 68 7.408 -2.329 0.979 1.00 0.00 C ATOM 1099 CD1 PHE A 68 7.290 -3.589 1.554 1.00 0.00 C ATOM 1100 CD2 PHE A 68 6.249 -1.677 0.581 1.00 0.00 C ATOM 1101 CE1 PHE A 68 6.051 -4.176 1.722 1.00 0.00 C ATOM 1102 CE2 PHE A 68 5.010 -2.261 0.746 1.00 0.00 C ATOM 1103 CZ PHE A 68 4.910 -3.513 1.318 1.00 0.00 C ATOM 0 H PHE A 68 11.108 -0.836 1.116 1.00 0.00 H new ATOM 0 HA PHE A 68 9.720 -3.300 1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.836 -0.830 1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.796 -1.254 -0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.178 -4.115 1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.318 -0.696 0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.975 -5.156 2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.120 -1.739 0.428 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.942 -3.973 1.449 1.00 0.00 H new ATOM 1113 N ASN A 69 9.588 -4.444 -0.532 1.00 0.00 N ATOM 1114 CA ASN A 69 9.830 -5.249 -1.725 1.00 0.00 C ATOM 1115 C ASN A 69 8.557 -5.488 -2.528 1.00 0.00 C ATOM 1116 O ASN A 69 7.524 -5.877 -1.984 1.00 0.00 O ATOM 1117 CB ASN A 69 10.451 -6.591 -1.334 1.00 0.00 C ATOM 1118 CG ASN A 69 11.783 -6.429 -0.628 1.00 0.00 C ATOM 1119 OD1 ASN A 69 12.227 -5.311 -0.366 1.00 0.00 O ATOM 1120 ND2 ASN A 69 12.428 -7.547 -0.316 1.00 0.00 N ATOM 0 H ASN A 69 8.862 -4.805 0.086 1.00 0.00 H new ATOM 0 HA ASN A 69 10.519 -4.690 -2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.762 -7.131 -0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.589 -7.199 -2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.329 -7.500 0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.023 -8.453 -0.552 1.00 0.00 H new ATOM 1127 N TYR A 70 8.655 -5.265 -3.834 1.00 0.00 N ATOM 1128 CA TYR A 70 7.534 -5.467 -4.741 1.00 0.00 C ATOM 1129 C TYR A 70 8.041 -5.670 -6.165 1.00 0.00 C ATOM 1130 O TYR A 70 7.489 -5.123 -7.120 1.00 0.00 O ATOM 1131 CB TYR A 70 6.571 -4.279 -4.685 1.00 0.00 C ATOM 1132 CG TYR A 70 5.117 -4.689 -4.648 1.00 0.00 C ATOM 1133 CD1 TYR A 70 4.512 -5.269 -5.756 1.00 0.00 C ATOM 1134 CD2 TYR A 70 4.350 -4.501 -3.505 1.00 0.00 C ATOM 1135 CE1 TYR A 70 3.184 -5.651 -5.726 1.00 0.00 C ATOM 1136 CE2 TYR A 70 3.021 -4.880 -3.468 1.00 0.00 C ATOM 1137 CZ TYR A 70 2.444 -5.454 -4.580 1.00 0.00 C ATOM 1138 OH TYR A 70 1.122 -5.834 -4.546 1.00 0.00 O ATOM 0 H TYR A 70 9.508 -4.941 -4.290 1.00 0.00 H new ATOM 0 HA TYR A 70 6.994 -6.360 -4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.795 -3.680 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.740 -3.642 -5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.089 -5.424 -6.656 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.799 -4.052 -2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.729 -6.101 -6.596 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.438 -4.727 -2.572 1.00 0.00 H new ATOM 0 HH TYR A 70 0.625 -5.235 -3.951 1.00 0.00 H new ATOM 1148 N ASN A 71 9.108 -6.457 -6.292 1.00 0.00 N ATOM 1149 CA ASN A 71 9.717 -6.739 -7.592 1.00 0.00 C ATOM 1150 C ASN A 71 8.663 -7.069 -8.652 1.00 0.00 C ATOM 1151 O ASN A 71 8.201 -6.183 -9.371 1.00 0.00 O ATOM 1152 CB ASN A 71 10.736 -7.883 -7.480 1.00 0.00 C ATOM 1153 CG ASN A 71 10.364 -8.911 -6.425 1.00 0.00 C ATOM 1154 OD1 ASN A 71 10.185 -8.578 -5.254 1.00 0.00 O ATOM 1155 ND2 ASN A 71 10.246 -10.167 -6.839 1.00 0.00 N ATOM 0 H ASN A 71 9.571 -6.913 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 71 10.237 -5.835 -7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.824 -8.379 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.716 -7.467 -7.244 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.998 -10.901 -6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.404 -10.398 -7.820 1.00 0.00 H new ATOM 1162 N LEU A 72 8.286 -8.342 -8.753 1.00 0.00 N ATOM 1163 CA LEU A 72 7.293 -8.765 -9.734 1.00 0.00 C ATOM 1164 C LEU A 72 7.693 -8.312 -11.136 1.00 0.00 C ATOM 1165 O LEU A 72 7.294 -7.238 -11.589 1.00 0.00 O ATOM 1166 CB LEU A 72 5.917 -8.203 -9.372 1.00 0.00 C ATOM 1167 CG LEU A 72 4.743 -9.153 -9.619 1.00 0.00 C ATOM 1168 CD1 LEU A 72 4.888 -10.413 -8.778 1.00 0.00 C ATOM 1169 CD2 LEU A 72 3.422 -8.458 -9.320 1.00 0.00 C ATOM 0 H LEU A 72 8.652 -9.094 -8.170 1.00 0.00 H new ATOM 0 HA LEU A 72 7.244 -9.854 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.922 -7.922 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.752 -7.290 -9.944 1.00 0.00 H new ATOM 0 HG LEU A 72 4.749 -9.441 -10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.044 -11.076 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.815 -10.922 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.909 -10.145 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.598 -9.149 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.406 -8.140 -8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.314 -7.587 -9.967 1.00 0.00 H new ATOM 1181 N ALA A 73 8.489 -9.135 -11.814 1.00 0.00 N ATOM 1182 CA ALA A 73 8.955 -8.823 -13.164 1.00 0.00 C ATOM 1183 C ALA A 73 7.817 -8.316 -14.046 1.00 0.00 C ATOM 1184 O ALA A 73 7.994 -7.382 -14.828 1.00 0.00 O ATOM 1185 CB ALA A 73 9.604 -10.047 -13.792 1.00 0.00 C ATOM 0 H ALA A 73 8.826 -10.026 -11.450 1.00 0.00 H new ATOM 0 HA ALA A 73 9.695 -8.027 -13.086 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.947 -9.802 -14.797 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.454 -10.360 -13.185 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.877 -10.858 -13.844 1.00 0.00 H new ATOM 1191 N ASP A 74 6.651 -8.936 -13.912 1.00 0.00 N ATOM 1192 CA ASP A 74 5.485 -8.546 -14.695 1.00 0.00 C ATOM 1193 C ASP A 74 4.463 -7.826 -13.822 1.00 0.00 C ATOM 1194 O ASP A 74 3.256 -7.995 -13.995 1.00 0.00 O ATOM 1195 CB ASP A 74 4.846 -9.774 -15.344 1.00 0.00 C ATOM 1196 CG ASP A 74 4.317 -9.484 -16.735 1.00 0.00 C ATOM 1197 OD1 ASP A 74 3.165 -9.014 -16.846 1.00 0.00 O ATOM 1198 OD2 ASP A 74 5.055 -9.725 -17.713 1.00 0.00 O ATOM 0 H ASP A 74 6.488 -9.711 -13.269 1.00 0.00 H new ATOM 0 HA ASP A 74 5.814 -7.862 -15.478 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.581 -10.577 -15.398 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.030 -10.131 -14.715 1.00 0.00 H new ATOM 1203 N GLY A 75 4.954 -7.024 -12.882 1.00 0.00 N ATOM 1204 CA GLY A 75 4.069 -6.294 -11.996 1.00 0.00 C ATOM 1205 C GLY A 75 4.357 -4.807 -11.980 1.00 0.00 C ATOM 1206 O GLY A 75 3.604 -4.017 -12.550 1.00 0.00 O ATOM 0 H GLY A 75 5.949 -6.868 -12.719 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.036 -6.457 -12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.166 -6.690 -10.985 1.00 0.00 H new ATOM 1210 N THR A 76 5.443 -4.421 -11.317 1.00 0.00 N ATOM 1211 CA THR A 76 5.812 -3.017 -11.223 1.00 0.00 C ATOM 1212 C THR A 76 7.284 -2.847 -10.852 1.00 0.00 C ATOM 1213 O THR A 76 7.986 -2.016 -11.429 1.00 0.00 O ATOM 1214 CB THR A 76 4.926 -2.333 -10.187 1.00 0.00 C ATOM 1215 OG1 THR A 76 5.081 -0.926 -10.237 1.00 0.00 O ATOM 1216 CG2 THR A 76 5.206 -2.782 -8.767 1.00 0.00 C ATOM 0 H THR A 76 6.079 -5.060 -10.840 1.00 0.00 H new ATOM 0 HA THR A 76 5.665 -2.555 -12.199 1.00 0.00 H new ATOM 0 HB THR A 76 3.908 -2.622 -10.446 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.149 -0.637 -11.171 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.541 -2.256 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.037 -3.856 -8.685 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.242 -2.557 -8.512 1.00 0.00 H new ATOM 1224 N GLU A 77 7.743 -3.631 -9.880 1.00 0.00 N ATOM 1225 CA GLU A 77 9.129 -3.560 -9.425 1.00 0.00 C ATOM 1226 C GLU A 77 9.388 -2.253 -8.681 1.00 0.00 C ATOM 1227 O GLU A 77 9.851 -1.274 -9.267 1.00 0.00 O ATOM 1228 CB GLU A 77 10.092 -3.688 -10.608 1.00 0.00 C ATOM 1229 CG GLU A 77 9.751 -4.831 -11.551 1.00 0.00 C ATOM 1230 CD GLU A 77 9.859 -4.435 -13.011 1.00 0.00 C ATOM 1231 OE1 GLU A 77 10.989 -4.425 -13.541 1.00 0.00 O ATOM 1232 OE2 GLU A 77 8.812 -4.135 -13.624 1.00 0.00 O ATOM 0 H GLU A 77 7.175 -4.323 -9.392 1.00 0.00 H new ATOM 0 HA GLU A 77 9.301 -4.391 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.091 -2.753 -11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.104 -3.831 -10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.419 -5.670 -11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.738 -5.176 -11.346 1.00 0.00 H new ATOM 1239 N LEU A 78 9.085 -2.246 -7.386 1.00 0.00 N ATOM 1240 CA LEU A 78 9.284 -1.060 -6.560 1.00 0.00 C ATOM 1241 C LEU A 78 10.004 -1.415 -5.257 1.00 0.00 C ATOM 1242 O LEU A 78 9.631 -2.365 -4.566 1.00 0.00 O ATOM 1243 CB LEU A 78 7.937 -0.390 -6.265 1.00 0.00 C ATOM 1244 CG LEU A 78 7.528 0.704 -7.259 1.00 0.00 C ATOM 1245 CD1 LEU A 78 6.306 0.283 -8.050 1.00 0.00 C ATOM 1246 CD2 LEU A 78 7.255 2.017 -6.559 1.00 0.00 C ATOM 0 H LEU A 78 8.701 -3.048 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 78 9.912 -0.359 -7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.162 -1.156 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.974 0.043 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 78 8.365 0.847 -7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.034 1.074 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.528 -0.629 -8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.476 0.101 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.968 2.769 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.446 1.885 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.154 2.345 -6.037 1.00 0.00 H new ATOM 1258 N ARG A 79 11.047 -0.649 -4.941 1.00 0.00 N ATOM 1259 CA ARG A 79 11.842 -0.874 -3.735 1.00 0.00 C ATOM 1260 C ARG A 79 12.042 0.425 -2.953 1.00 0.00 C ATOM 1261 O ARG A 79 12.652 1.364 -3.454 1.00 0.00 O ATOM 1262 CB ARG A 79 13.206 -1.445 -4.119 1.00 0.00 C ATOM 1263 CG ARG A 79 13.783 -2.402 -3.087 1.00 0.00 C ATOM 1264 CD ARG A 79 14.113 -3.754 -3.699 1.00 0.00 C ATOM 1265 NE ARG A 79 15.534 -3.878 -4.017 1.00 0.00 N ATOM 1266 CZ ARG A 79 16.073 -4.947 -4.601 1.00 0.00 C ATOM 1267 NH1 ARG A 79 15.314 -5.984 -4.932 1.00 0.00 N ATOM 1268 NH2 ARG A 79 17.374 -4.978 -4.854 1.00 0.00 N ATOM 0 H ARG A 79 11.363 0.138 -5.508 1.00 0.00 H new ATOM 0 HA ARG A 79 11.304 -1.580 -3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.116 -1.965 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.905 -0.622 -4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.684 -1.969 -2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.069 -2.535 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.826 -4.545 -3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.525 -3.895 -4.606 1.00 0.00 H new ATOM 0 HE ARG A 79 16.149 -3.100 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.313 -5.965 -4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 79 15.732 -6.800 -5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 79 17.962 -4.184 -4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 79 17.787 -5.796 -5.301 1.00 0.00 H new ATOM 1282 N GLY A 80 11.540 0.472 -1.722 1.00 0.00 N ATOM 1283 CA GLY A 80 11.695 1.673 -0.910 1.00 0.00 C ATOM 1284 C GLY A 80 11.973 1.367 0.548 1.00 0.00 C ATOM 1285 O GLY A 80 12.996 0.769 0.870 1.00 0.00 O ATOM 0 H GLY A 80 11.033 -0.291 -1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.511 2.274 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.789 2.275 -0.983 1.00 0.00 H new ATOM 1289 N THR A 81 11.061 1.783 1.428 1.00 0.00 N ATOM 1290 CA THR A 81 11.205 1.549 2.865 1.00 0.00 C ATOM 1291 C THR A 81 9.855 1.609 3.570 1.00 0.00 C ATOM 1292 O THR A 81 8.835 1.915 2.960 1.00 0.00 O ATOM 1293 CB THR A 81 12.154 2.571 3.495 1.00 0.00 C ATOM 1294 OG1 THR A 81 11.844 3.882 3.056 1.00 0.00 O ATOM 1295 CG2 THR A 81 13.611 2.314 3.180 1.00 0.00 C ATOM 0 H THR A 81 10.212 2.285 1.169 1.00 0.00 H new ATOM 0 HA THR A 81 11.624 0.551 2.989 1.00 0.00 H new ATOM 0 HB THR A 81 12.010 2.470 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.461 4.520 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.227 3.076 3.658 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.896 1.330 3.553 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.762 2.350 2.101 1.00 0.00 H new ATOM 1303 N TRP A 82 9.866 1.320 4.864 1.00 0.00 N ATOM 1304 CA TRP A 82 8.655 1.345 5.677 1.00 0.00 C ATOM 1305 C TRP A 82 9.027 1.546 7.142 1.00 0.00 C ATOM 1306 O TRP A 82 9.853 0.811 7.683 1.00 0.00 O ATOM 1307 CB TRP A 82 7.877 0.037 5.510 1.00 0.00 C ATOM 1308 CG TRP A 82 6.426 0.153 5.866 1.00 0.00 C ATOM 1309 CD1 TRP A 82 5.423 0.624 5.070 1.00 0.00 C ATOM 1310 CD2 TRP A 82 5.815 -0.214 7.108 1.00 0.00 C ATOM 1311 NE1 TRP A 82 4.226 0.575 5.740 1.00 0.00 N ATOM 1312 CE2 TRP A 82 4.439 0.065 6.993 1.00 0.00 C ATOM 1313 CE3 TRP A 82 6.295 -0.751 8.306 1.00 0.00 C ATOM 1314 CZ2 TRP A 82 3.542 -0.176 8.029 1.00 0.00 C ATOM 1315 CZ3 TRP A 82 5.402 -0.989 9.334 1.00 0.00 C ATOM 1316 CH2 TRP A 82 4.039 -0.702 9.190 1.00 0.00 C ATOM 0 H TRP A 82 10.708 1.063 5.378 1.00 0.00 H new ATOM 0 HA TRP A 82 8.023 2.170 5.348 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.963 -0.298 4.476 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.335 -0.731 6.133 1.00 0.00 H new ATOM 0 HD1 TRP A 82 5.552 0.983 4.060 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.324 0.870 5.366 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.344 -0.976 8.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.490 0.044 7.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.762 -1.403 10.264 1.00 0.00 H new ATOM 0 HH2 TRP A 82 3.367 -0.900 10.012 1.00 0.00 H new ATOM 1327 N SER A 83 8.429 2.544 7.781 1.00 0.00 N ATOM 1328 CA SER A 83 8.726 2.825 9.182 1.00 0.00 C ATOM 1329 C SER A 83 7.486 3.303 9.926 1.00 0.00 C ATOM 1330 O SER A 83 6.607 3.939 9.347 1.00 0.00 O ATOM 1331 CB SER A 83 9.832 3.876 9.287 1.00 0.00 C ATOM 1332 OG SER A 83 10.815 3.490 10.232 1.00 0.00 O ATOM 0 H SER A 83 7.742 3.167 7.357 1.00 0.00 H new ATOM 0 HA SER A 83 9.064 1.897 9.644 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.297 4.018 8.311 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.401 4.834 9.577 1.00 0.00 H new ATOM 0 HG SER A 83 11.512 4.178 10.279 1.00 0.00 H new ATOM 1338 N LEU A 84 7.427 2.996 11.217 1.00 0.00 N ATOM 1339 CA LEU A 84 6.299 3.399 12.045 1.00 0.00 C ATOM 1340 C LEU A 84 6.658 4.617 12.887 1.00 0.00 C ATOM 1341 O LEU A 84 7.711 4.659 13.523 1.00 0.00 O ATOM 1342 CB LEU A 84 5.858 2.245 12.947 1.00 0.00 C ATOM 1343 CG LEU A 84 4.373 1.884 12.852 1.00 0.00 C ATOM 1344 CD1 LEU A 84 4.199 0.416 12.492 1.00 0.00 C ATOM 1345 CD2 LEU A 84 3.660 2.203 14.157 1.00 0.00 C ATOM 0 H LEU A 84 8.147 2.470 11.712 1.00 0.00 H new ATOM 0 HA LEU A 84 5.471 3.665 11.387 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.448 1.363 12.698 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.089 2.502 13.981 1.00 0.00 H new ATOM 0 HG LEU A 84 3.925 2.485 12.061 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.137 0.180 12.430 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.672 0.219 11.530 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.664 -0.204 13.258 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.606 1.939 14.070 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.111 1.631 14.967 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.751 3.268 14.371 1.00 0.00 H new ATOM 1357 N GLU A 85 5.777 5.608 12.882 1.00 0.00 N ATOM 1358 CA GLU A 85 5.997 6.833 13.640 1.00 0.00 C ATOM 1359 C GLU A 85 4.844 7.091 14.605 1.00 0.00 C ATOM 1360 O GLU A 85 3.808 7.631 14.219 1.00 0.00 O ATOM 1361 CB GLU A 85 6.159 8.020 12.689 1.00 0.00 C ATOM 1362 CG GLU A 85 7.526 8.088 12.027 1.00 0.00 C ATOM 1363 CD GLU A 85 8.359 9.252 12.524 1.00 0.00 C ATOM 1364 OE1 GLU A 85 8.088 10.398 12.108 1.00 0.00 O ATOM 1365 OE2 GLU A 85 9.285 9.019 13.330 1.00 0.00 O ATOM 0 H GLU A 85 4.901 5.588 12.360 1.00 0.00 H new ATOM 0 HA GLU A 85 6.911 6.714 14.221 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.393 7.963 11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.986 8.944 13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.062 7.157 12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.399 8.172 10.948 1.00 0.00 H new ATOM 1372 N GLY A 86 5.032 6.701 15.861 1.00 0.00 N ATOM 1373 CA GLY A 86 3.998 6.898 16.860 1.00 0.00 C ATOM 1374 C GLY A 86 2.762 6.067 16.584 1.00 0.00 C ATOM 1375 O GLY A 86 2.779 4.846 16.737 1.00 0.00 O ATOM 0 H GLY A 86 5.881 6.252 16.205 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.393 6.641 17.843 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.724 7.952 16.892 1.00 0.00 H new ATOM 1379 N ASN A 87 1.686 6.730 16.175 1.00 0.00 N ATOM 1380 CA ASN A 87 0.436 6.043 15.876 1.00 0.00 C ATOM 1381 C ASN A 87 0.185 5.987 14.371 1.00 0.00 C ATOM 1382 O ASN A 87 -0.950 5.804 13.930 1.00 0.00 O ATOM 1383 CB ASN A 87 -0.733 6.741 16.574 1.00 0.00 C ATOM 1384 CG ASN A 87 -1.771 5.760 17.082 1.00 0.00 C ATOM 1385 OD1 ASN A 87 -2.940 5.823 16.701 1.00 0.00 O ATOM 1386 ND2 ASN A 87 -1.349 4.846 17.948 1.00 0.00 N ATOM 0 H ASN A 87 1.655 7.741 16.043 1.00 0.00 H new ATOM 0 HA ASN A 87 0.517 5.022 16.248 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.355 7.330 17.409 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.204 7.437 15.880 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.003 4.160 18.324 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.371 4.830 18.237 1.00 0.00 H new ATOM 1393 N LYS A 88 1.248 6.144 13.586 1.00 0.00 N ATOM 1394 CA LYS A 88 1.136 6.111 12.133 1.00 0.00 C ATOM 1395 C LYS A 88 2.291 5.328 11.518 1.00 0.00 C ATOM 1396 O LYS A 88 3.344 5.171 12.136 1.00 0.00 O ATOM 1397 CB LYS A 88 1.111 7.533 11.570 1.00 0.00 C ATOM 1398 CG LYS A 88 0.051 8.419 12.203 1.00 0.00 C ATOM 1399 CD LYS A 88 0.589 9.146 13.425 1.00 0.00 C ATOM 1400 CE LYS A 88 1.489 10.306 13.032 1.00 0.00 C ATOM 1401 NZ LYS A 88 2.309 10.787 14.178 1.00 0.00 N ATOM 0 H LYS A 88 2.195 6.295 13.933 1.00 0.00 H new ATOM 0 HA LYS A 88 0.203 5.610 11.876 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.090 7.990 11.717 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.939 7.486 10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.301 9.146 11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.809 7.812 12.488 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.243 9.516 14.025 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.146 8.447 14.049 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.147 9.996 12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.879 11.126 12.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.909 11.578 13.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.682 11.107 14.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.910 10.012 14.524 1.00 0.00 H new ATOM 1415 N LEU A 89 2.089 4.841 10.298 1.00 0.00 N ATOM 1416 CA LEU A 89 3.118 4.077 9.601 1.00 0.00 C ATOM 1417 C LEU A 89 3.385 4.665 8.220 1.00 0.00 C ATOM 1418 O LEU A 89 2.459 5.061 7.513 1.00 0.00 O ATOM 1419 CB LEU A 89 2.714 2.603 9.475 1.00 0.00 C ATOM 1420 CG LEU A 89 1.208 2.326 9.497 1.00 0.00 C ATOM 1421 CD1 LEU A 89 0.600 2.570 8.125 1.00 0.00 C ATOM 1422 CD2 LEU A 89 0.939 0.901 9.958 1.00 0.00 C ATOM 0 H LEU A 89 1.223 4.961 9.772 1.00 0.00 H new ATOM 0 HA LEU A 89 4.033 4.137 10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.124 2.211 8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.180 2.046 10.288 1.00 0.00 H new ATOM 0 HG LEU A 89 0.740 3.011 10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.471 2.368 8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.764 3.607 7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.070 1.910 7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.136 0.719 9.969 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.419 0.201 9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.341 0.761 10.962 1.00 0.00 H new ATOM 1434 N ILE A 90 4.659 4.723 7.843 1.00 0.00 N ATOM 1435 CA ILE A 90 5.048 5.268 6.547 1.00 0.00 C ATOM 1436 C ILE A 90 5.653 4.198 5.649 1.00 0.00 C ATOM 1437 O ILE A 90 6.454 3.377 6.091 1.00 0.00 O ATOM 1438 CB ILE A 90 6.061 6.427 6.673 1.00 0.00 C ATOM 1439 CG1 ILE A 90 5.971 7.092 8.051 1.00 0.00 C ATOM 1440 CG2 ILE A 90 5.827 7.448 5.566 1.00 0.00 C ATOM 1441 CD1 ILE A 90 4.681 7.848 8.278 1.00 0.00 C ATOM 0 H ILE A 90 5.438 4.400 8.416 1.00 0.00 H new ATOM 0 HA ILE A 90 4.129 5.649 6.103 1.00 0.00 H new ATOM 0 HB ILE A 90 7.066 6.018 6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.074 6.327 8.821 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.810 7.778 8.169 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.546 8.261 5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.952 6.968 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.816 7.846 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.689 8.291 9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.585 8.636 7.531 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.838 7.163 8.193 1.00 0.00 H new ATOM 1453 N GLY A 91 5.270 4.235 4.381 1.00 0.00 N ATOM 1454 CA GLY A 91 5.778 3.294 3.406 1.00 0.00 C ATOM 1455 C GLY A 91 6.398 4.010 2.225 1.00 0.00 C ATOM 1456 O GLY A 91 5.981 5.113 1.874 1.00 0.00 O ATOM 0 H GLY A 91 4.605 4.912 4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.521 2.647 3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.968 2.651 3.061 1.00 0.00 H new ATOM 1460 N LYS A 92 7.405 3.401 1.622 1.00 0.00 N ATOM 1461 CA LYS A 92 8.085 4.013 0.492 1.00 0.00 C ATOM 1462 C LYS A 92 8.534 2.967 -0.521 1.00 0.00 C ATOM 1463 O LYS A 92 8.745 1.803 -0.181 1.00 0.00 O ATOM 1464 CB LYS A 92 9.301 4.805 0.985 1.00 0.00 C ATOM 1465 CG LYS A 92 9.027 6.286 1.203 1.00 0.00 C ATOM 1466 CD LYS A 92 8.549 6.578 2.619 1.00 0.00 C ATOM 1467 CE LYS A 92 9.553 6.115 3.661 1.00 0.00 C ATOM 1468 NZ LYS A 92 9.228 4.759 4.186 1.00 0.00 N ATOM 0 H LYS A 92 7.769 2.488 1.894 1.00 0.00 H new ATOM 0 HA LYS A 92 7.381 4.683 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.651 4.369 1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.109 4.698 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.935 6.855 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.275 6.624 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.377 7.648 2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.594 6.082 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.551 6.104 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.574 6.827 4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.956 4.830 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.440 4.355 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.061 4.143 4.097 1.00 0.00 H new ATOM 1482 N PHE A 93 8.706 3.405 -1.762 1.00 0.00 N ATOM 1483 CA PHE A 93 9.165 2.529 -2.833 1.00 0.00 C ATOM 1484 C PHE A 93 10.118 3.275 -3.755 1.00 0.00 C ATOM 1485 O PHE A 93 10.262 4.494 -3.672 1.00 0.00 O ATOM 1486 CB PHE A 93 8.018 2.004 -3.699 1.00 0.00 C ATOM 1487 CG PHE A 93 7.189 0.897 -3.103 1.00 0.00 C ATOM 1488 CD1 PHE A 93 7.718 -0.377 -2.970 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.870 1.114 -2.722 1.00 0.00 C ATOM 1490 CE1 PHE A 93 6.952 -1.412 -2.472 1.00 0.00 C ATOM 1491 CE2 PHE A 93 5.106 0.083 -2.215 1.00 0.00 C ATOM 1492 CZ PHE A 93 5.646 -1.180 -2.094 1.00 0.00 C ATOM 0 H PHE A 93 8.533 4.367 -2.053 1.00 0.00 H new ATOM 0 HA PHE A 93 9.657 1.689 -2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.357 2.838 -3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.435 1.651 -4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.742 -0.562 -3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.439 2.099 -2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.375 -2.401 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.085 0.265 -1.913 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.046 -1.988 -1.703 1.00 0.00 H new ATOM 1502 N LYS A 94 10.726 2.530 -4.663 1.00 0.00 N ATOM 1503 CA LYS A 94 11.627 3.097 -5.652 1.00 0.00 C ATOM 1504 C LYS A 94 11.715 2.179 -6.856 1.00 0.00 C ATOM 1505 O LYS A 94 11.926 0.975 -6.721 1.00 0.00 O ATOM 1506 CB LYS A 94 13.024 3.348 -5.090 1.00 0.00 C ATOM 1507 CG LYS A 94 13.736 4.480 -5.790 1.00 0.00 C ATOM 1508 CD LYS A 94 13.766 5.736 -4.942 1.00 0.00 C ATOM 1509 CE LYS A 94 15.161 6.314 -4.903 1.00 0.00 C ATOM 1510 NZ LYS A 94 15.418 7.079 -3.651 1.00 0.00 N ATOM 0 H LYS A 94 10.610 1.519 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 94 11.217 4.062 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.949 3.574 -4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.617 2.438 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.756 4.177 -6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.239 4.692 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.072 6.472 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.432 5.507 -3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.889 5.508 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.306 6.968 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.387 7.457 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.741 7.865 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.306 6.450 -2.831 1.00 0.00 H new ATOM 1524 N ARG A 95 11.539 2.751 -8.033 1.00 0.00 N ATOM 1525 CA ARG A 95 11.584 1.975 -9.260 1.00 0.00 C ATOM 1526 C ARG A 95 13.014 1.642 -9.648 1.00 0.00 C ATOM 1527 O ARG A 95 13.940 2.411 -9.385 1.00 0.00 O ATOM 1528 CB ARG A 95 10.901 2.727 -10.395 1.00 0.00 C ATOM 1529 CG ARG A 95 9.572 3.335 -9.994 1.00 0.00 C ATOM 1530 CD ARG A 95 8.404 2.521 -10.513 1.00 0.00 C ATOM 1531 NE ARG A 95 7.134 3.026 -10.007 1.00 0.00 N ATOM 1532 CZ ARG A 95 6.344 3.856 -10.677 1.00 0.00 C ATOM 1533 NH1 ARG A 95 6.661 4.248 -11.907 1.00 0.00 N ATOM 1534 NH2 ARG A 95 5.231 4.303 -10.115 1.00 0.00 N ATOM 0 H ARG A 95 11.364 3.747 -8.166 1.00 0.00 H new ATOM 0 HA ARG A 95 11.050 1.042 -9.080 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.563 3.518 -10.748 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.744 2.045 -11.231 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.515 3.401 -8.908 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.506 4.353 -10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.398 2.545 -11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.526 1.479 -10.218 1.00 0.00 H new ATOM 0 HE ARG A 95 6.834 2.723 -9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.518 3.911 -12.345 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.047 4.886 -12.413 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.983 4.009 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.622 4.941 -10.627 1.00 0.00 H new ATOM 1548 N THR A 96 13.177 0.484 -10.271 1.00 0.00 N ATOM 1549 CA THR A 96 14.485 0.014 -10.702 1.00 0.00 C ATOM 1550 C THR A 96 14.980 0.778 -11.932 1.00 0.00 C ATOM 1551 O THR A 96 16.180 0.828 -12.199 1.00 0.00 O ATOM 1552 CB THR A 96 14.412 -1.488 -10.987 1.00 0.00 C ATOM 1553 OG1 THR A 96 15.646 -2.117 -10.690 1.00 0.00 O ATOM 1554 CG2 THR A 96 14.054 -1.829 -12.420 1.00 0.00 C ATOM 0 H THR A 96 12.411 -0.153 -10.491 1.00 0.00 H new ATOM 0 HA THR A 96 15.203 0.197 -9.903 1.00 0.00 H new ATOM 0 HB THR A 96 13.612 -1.854 -10.343 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.578 -3.076 -10.878 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.023 -2.912 -12.539 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.077 -1.409 -12.661 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.804 -1.411 -13.092 1.00 0.00 H new ATOM 1562 N ASP A 97 14.049 1.368 -12.679 1.00 0.00 N ATOM 1563 CA ASP A 97 14.395 2.124 -13.881 1.00 0.00 C ATOM 1564 C ASP A 97 15.506 3.132 -13.598 1.00 0.00 C ATOM 1565 O ASP A 97 16.411 3.319 -14.412 1.00 0.00 O ATOM 1566 CB ASP A 97 13.162 2.847 -14.424 1.00 0.00 C ATOM 1567 CG ASP A 97 13.365 3.352 -15.839 1.00 0.00 C ATOM 1568 OD1 ASP A 97 14.390 4.021 -16.090 1.00 0.00 O ATOM 1569 OD2 ASP A 97 12.499 3.080 -16.697 1.00 0.00 O ATOM 0 H ASP A 97 13.050 1.337 -12.474 1.00 0.00 H new ATOM 0 HA ASP A 97 14.756 1.418 -14.629 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.308 2.170 -14.402 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.920 3.687 -13.773 1.00 0.00 H new ATOM 1574 N ASN A 98 15.430 3.779 -12.440 1.00 0.00 N ATOM 1575 CA ASN A 98 16.428 4.769 -12.048 1.00 0.00 C ATOM 1576 C ASN A 98 16.122 5.318 -10.659 1.00 0.00 C ATOM 1577 O ASN A 98 16.254 6.517 -10.409 1.00 0.00 O ATOM 1578 CB ASN A 98 16.473 5.911 -13.065 1.00 0.00 C ATOM 1579 CG ASN A 98 17.871 6.471 -13.243 1.00 0.00 C ATOM 1580 OD1 ASN A 98 18.711 5.872 -13.914 1.00 0.00 O ATOM 1581 ND2 ASN A 98 18.126 7.627 -12.641 1.00 0.00 N ATOM 0 H ASN A 98 14.687 3.636 -11.756 1.00 0.00 H new ATOM 0 HA ASN A 98 17.402 4.281 -12.023 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.103 5.553 -14.026 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.803 6.708 -12.742 1.00 0.00 H new ATOM 0 HD21 ASN A 98 19.049 8.053 -12.725 1.00 0.00 H new ATOM 0 HD22 ASN A 98 17.399 8.089 -12.094 1.00 0.00 H new ATOM 1588 N GLY A 99 15.709 4.431 -9.759 1.00 0.00 N ATOM 1589 CA GLY A 99 15.384 4.834 -8.406 1.00 0.00 C ATOM 1590 C GLY A 99 14.412 5.996 -8.358 1.00 0.00 C ATOM 1591 O GLY A 99 14.754 7.081 -7.889 1.00 0.00 O ATOM 0 H GLY A 99 15.594 3.435 -9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.956 3.986 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 99 16.300 5.110 -7.884 1.00 0.00 H new ATOM 1595 N ASN A 100 13.194 5.765 -8.835 1.00 0.00 N ATOM 1596 CA ASN A 100 12.169 6.802 -8.829 1.00 0.00 C ATOM 1597 C ASN A 100 11.572 6.933 -7.427 1.00 0.00 C ATOM 1598 O ASN A 100 11.396 5.942 -6.725 1.00 0.00 O ATOM 1599 CB ASN A 100 11.086 6.489 -9.865 1.00 0.00 C ATOM 1600 CG ASN A 100 11.622 6.506 -11.283 1.00 0.00 C ATOM 1601 OD1 ASN A 100 11.498 5.527 -12.018 1.00 0.00 O ATOM 1602 ND2 ASN A 100 12.223 7.624 -11.675 1.00 0.00 N ATOM 0 H ASN A 100 12.893 4.873 -9.229 1.00 0.00 H new ATOM 0 HA ASN A 100 12.622 7.755 -9.100 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.656 5.510 -9.653 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.280 7.217 -9.775 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.604 7.694 -12.619 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.304 8.412 -11.032 1.00 0.00 H new ATOM 1609 N GLU A 101 11.303 8.165 -7.012 1.00 0.00 N ATOM 1610 CA GLU A 101 10.775 8.434 -5.678 1.00 0.00 C ATOM 1611 C GLU A 101 9.282 8.164 -5.563 1.00 0.00 C ATOM 1612 O GLU A 101 8.470 8.680 -6.337 1.00 0.00 O ATOM 1613 CB GLU A 101 11.077 9.874 -5.280 1.00 0.00 C ATOM 1614 CG GLU A 101 12.544 10.225 -5.416 1.00 0.00 C ATOM 1615 CD GLU A 101 12.816 11.704 -5.218 1.00 0.00 C ATOM 1616 OE1 GLU A 101 12.111 12.525 -5.842 1.00 0.00 O ATOM 1617 OE2 GLU A 101 13.732 12.040 -4.440 1.00 0.00 O ATOM 0 H GLU A 101 11.442 8.999 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 101 11.273 7.745 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.488 10.549 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.764 10.034 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.119 9.654 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.895 9.925 -6.404 1.00 0.00 H new ATOM 1624 N LEU A 102 8.947 7.358 -4.564 1.00 0.00 N ATOM 1625 CA LEU A 102 7.567 6.986 -4.274 1.00 0.00 C ATOM 1626 C LEU A 102 7.334 7.008 -2.761 1.00 0.00 C ATOM 1627 O LEU A 102 7.893 6.190 -2.030 1.00 0.00 O ATOM 1628 CB LEU A 102 7.285 5.594 -4.842 1.00 0.00 C ATOM 1629 CG LEU A 102 5.802 5.242 -5.027 1.00 0.00 C ATOM 1630 CD1 LEU A 102 5.540 4.703 -6.427 1.00 0.00 C ATOM 1631 CD2 LEU A 102 5.357 4.238 -3.976 1.00 0.00 C ATOM 0 H LEU A 102 9.628 6.942 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 102 6.888 7.700 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.784 5.507 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.736 4.853 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 102 5.219 6.155 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.482 4.461 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.815 5.457 -7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.135 3.804 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.303 4.000 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.950 3.328 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.498 4.664 -2.983 1.00 0.00 H new ATOM 1643 N ASN A 103 6.530 7.962 -2.293 1.00 0.00 N ATOM 1644 CA ASN A 103 6.256 8.101 -0.867 1.00 0.00 C ATOM 1645 C ASN A 103 4.843 7.659 -0.507 1.00 0.00 C ATOM 1646 O ASN A 103 3.924 7.731 -1.324 1.00 0.00 O ATOM 1647 CB ASN A 103 6.465 9.551 -0.427 1.00 0.00 C ATOM 1648 CG ASN A 103 7.786 10.119 -0.910 1.00 0.00 C ATOM 1649 OD1 ASN A 103 7.849 10.467 -2.190 1.00 0.00 O flip ATOM 1650 ND2 ASN A 103 8.738 10.245 -0.141 1.00 0.00 N flip ATOM 0 H ASN A 103 6.058 8.649 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 103 6.954 7.449 -0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 103 5.648 10.164 -0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.425 9.607 0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 103 8.646 9.965 0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.620 10.630 -0.480 1.00 0.00 H new ATOM 1657 N THR A 104 4.683 7.216 0.736 1.00 0.00 N ATOM 1658 CA THR A 104 3.388 6.771 1.240 1.00 0.00 C ATOM 1659 C THR A 104 3.234 7.113 2.719 1.00 0.00 C ATOM 1660 O THR A 104 3.993 6.632 3.560 1.00 0.00 O ATOM 1661 CB THR A 104 3.204 5.263 1.029 1.00 0.00 C ATOM 1662 OG1 THR A 104 3.694 4.531 2.139 1.00 0.00 O ATOM 1663 CG2 THR A 104 3.894 4.734 -0.211 1.00 0.00 C ATOM 0 H THR A 104 5.440 7.155 1.417 1.00 0.00 H new ATOM 0 HA THR A 104 2.617 7.297 0.677 1.00 0.00 H new ATOM 0 HB THR A 104 2.129 5.126 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.014 3.890 2.434 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.720 3.661 -0.295 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.494 5.236 -1.092 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.965 4.923 -0.140 1.00 0.00 H new ATOM 1671 N VAL A 105 2.245 7.945 3.027 1.00 0.00 N ATOM 1672 CA VAL A 105 1.986 8.351 4.403 1.00 0.00 C ATOM 1673 C VAL A 105 0.563 7.995 4.817 1.00 0.00 C ATOM 1674 O VAL A 105 -0.395 8.309 4.110 1.00 0.00 O ATOM 1675 CB VAL A 105 2.202 9.864 4.594 1.00 0.00 C ATOM 1676 CG1 VAL A 105 2.120 10.234 6.067 1.00 0.00 C ATOM 1677 CG2 VAL A 105 3.536 10.292 4.001 1.00 0.00 C ATOM 0 H VAL A 105 1.609 8.352 2.341 1.00 0.00 H new ATOM 0 HA VAL A 105 2.693 7.811 5.033 1.00 0.00 H new ATOM 0 HB VAL A 105 1.410 10.395 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.275 11.307 6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.137 9.966 6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.889 9.695 6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.671 11.364 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.344 9.754 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.550 10.065 2.935 1.00 0.00 H new ATOM 1687 N ARG A 106 0.429 7.335 5.962 1.00 0.00 N ATOM 1688 CA ARG A 106 -0.881 6.934 6.460 1.00 0.00 C ATOM 1689 C ARG A 106 -1.047 7.300 7.932 1.00 0.00 C ATOM 1690 O ARG A 106 -0.333 6.788 8.794 1.00 0.00 O ATOM 1691 CB ARG A 106 -1.083 5.429 6.274 1.00 0.00 C ATOM 1692 CG ARG A 106 -0.595 4.909 4.931 1.00 0.00 C ATOM 1693 CD ARG A 106 -0.545 3.390 4.906 1.00 0.00 C ATOM 1694 NE ARG A 106 0.608 2.893 4.158 1.00 0.00 N ATOM 1695 CZ ARG A 106 0.710 1.651 3.692 1.00 0.00 C ATOM 1696 NH1 ARG A 106 -0.269 0.777 3.894 1.00 0.00 N ATOM 1697 NH2 ARG A 106 1.792 1.280 3.022 1.00 0.00 N ATOM 0 H ARG A 106 1.210 7.067 6.561 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.635 7.471 5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.560 4.900 7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.143 5.198 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.255 5.265 4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.397 5.310 4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.505 3.012 5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.461 3.004 4.459 1.00 0.00 H new ATOM 0 HE ARG A 106 1.380 3.536 3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.104 1.057 4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.186 -0.174 3.535 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.547 1.947 2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.869 0.328 2.665 1.00 0.00 H new ATOM 1711 N GLU A 107 -1.999 8.184 8.211 1.00 0.00 N ATOM 1712 CA GLU A 107 -2.269 8.616 9.578 1.00 0.00 C ATOM 1713 C GLU A 107 -3.623 8.094 10.044 1.00 0.00 C ATOM 1714 O GLU A 107 -4.507 7.826 9.230 1.00 0.00 O ATOM 1715 CB GLU A 107 -2.235 10.142 9.672 1.00 0.00 C ATOM 1716 CG GLU A 107 -3.317 10.826 8.852 1.00 0.00 C ATOM 1717 CD GLU A 107 -3.234 12.339 8.924 1.00 0.00 C ATOM 1718 OE1 GLU A 107 -3.571 12.902 9.986 1.00 0.00 O ATOM 1719 OE2 GLU A 107 -2.831 12.959 7.917 1.00 0.00 O ATOM 0 H GLU A 107 -2.598 8.616 7.507 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.494 8.207 10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -2.342 10.436 10.716 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.260 10.497 9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.234 10.510 7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -4.296 10.502 9.206 1.00 0.00 H new ATOM 1726 N ILE A 108 -3.784 7.947 11.355 1.00 0.00 N ATOM 1727 CA ILE A 108 -5.037 7.452 11.912 1.00 0.00 C ATOM 1728 C ILE A 108 -6.068 8.563 12.041 1.00 0.00 C ATOM 1729 O ILE A 108 -6.187 9.192 13.092 1.00 0.00 O ATOM 1730 CB ILE A 108 -4.842 6.811 13.299 1.00 0.00 C ATOM 1731 CG1 ILE A 108 -3.628 5.874 13.299 1.00 0.00 C ATOM 1732 CG2 ILE A 108 -6.107 6.069 13.718 1.00 0.00 C ATOM 1733 CD1 ILE A 108 -3.868 4.560 12.589 1.00 0.00 C ATOM 0 H ILE A 108 -3.067 8.162 12.048 1.00 0.00 H new ATOM 0 HA ILE A 108 -5.394 6.695 11.214 1.00 0.00 H new ATOM 0 HB ILE A 108 -4.651 7.601 14.025 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.788 6.383 12.826 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.338 5.671 14.330 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.957 5.620 14.700 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.941 6.769 13.762 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.328 5.287 12.991 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.964 3.953 12.632 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -4.686 4.028 13.075 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.128 4.751 11.548 1.00 0.00 H new ATOM 1745 N ILE A 109 -6.828 8.785 10.978 1.00 0.00 N ATOM 1746 CA ILE A 109 -7.863 9.803 10.994 1.00 0.00 C ATOM 1747 C ILE A 109 -9.097 9.266 11.709 1.00 0.00 C ATOM 1748 O ILE A 109 -9.691 8.275 11.280 1.00 0.00 O ATOM 1749 CB ILE A 109 -8.233 10.260 9.566 1.00 0.00 C ATOM 1750 CG1 ILE A 109 -8.772 11.690 9.589 1.00 0.00 C ATOM 1751 CG2 ILE A 109 -9.246 9.315 8.943 1.00 0.00 C ATOM 1752 CD1 ILE A 109 -7.701 12.736 9.805 1.00 0.00 C ATOM 0 H ILE A 109 -6.746 8.275 10.098 1.00 0.00 H new ATOM 0 HA ILE A 109 -7.477 10.671 11.529 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.331 10.240 8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.282 11.893 8.647 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.517 11.776 10.380 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.492 9.657 7.938 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.824 8.311 8.892 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.150 9.298 9.552 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.156 13.727 9.810 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.207 12.559 10.760 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.968 12.677 9.001 1.00 0.00 H new ATOM 1764 N GLY A 110 -9.470 9.897 12.814 1.00 0.00 N ATOM 1765 CA GLY A 110 -10.621 9.430 13.560 1.00 0.00 C ATOM 1766 C GLY A 110 -10.547 7.944 13.838 1.00 0.00 C ATOM 1767 O GLY A 110 -9.571 7.452 14.404 1.00 0.00 O ATOM 0 H GLY A 110 -9.002 10.715 13.204 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -10.688 9.973 14.503 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.530 9.650 13.001 1.00 0.00 H new ATOM 1771 N ASP A 111 -11.574 7.234 13.413 1.00 0.00 N ATOM 1772 CA ASP A 111 -11.638 5.787 13.581 1.00 0.00 C ATOM 1773 C ASP A 111 -11.301 5.083 12.266 1.00 0.00 C ATOM 1774 O ASP A 111 -11.568 3.893 12.098 1.00 0.00 O ATOM 1775 CB ASP A 111 -13.029 5.367 14.059 1.00 0.00 C ATOM 1776 CG ASP A 111 -14.124 5.806 13.107 1.00 0.00 C ATOM 1777 OD1 ASP A 111 -13.908 6.788 12.365 1.00 0.00 O ATOM 1778 OD2 ASP A 111 -15.198 5.169 13.102 1.00 0.00 O ATOM 0 H ASP A 111 -12.385 7.637 12.944 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.906 5.495 14.333 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.060 4.283 14.169 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.216 5.793 15.045 1.00 0.00 H new ATOM 1783 N GLU A 112 -10.712 5.835 11.337 1.00 0.00 N ATOM 1784 CA GLU A 112 -10.333 5.307 10.032 1.00 0.00 C ATOM 1785 C GLU A 112 -8.912 5.721 9.686 1.00 0.00 C ATOM 1786 O GLU A 112 -8.261 6.438 10.447 1.00 0.00 O ATOM 1787 CB GLU A 112 -11.292 5.818 8.959 1.00 0.00 C ATOM 1788 CG GLU A 112 -12.729 5.389 9.182 1.00 0.00 C ATOM 1789 CD GLU A 112 -13.572 5.484 7.924 1.00 0.00 C ATOM 1790 OE1 GLU A 112 -13.106 6.098 6.941 1.00 0.00 O ATOM 1791 OE2 GLU A 112 -14.698 4.944 7.923 1.00 0.00 O ATOM 0 H GLU A 112 -10.486 6.821 11.469 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.386 4.219 10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.246 6.907 8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.960 5.459 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.744 4.362 9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.173 6.011 9.959 1.00 0.00 H new ATOM 1798 N LEU A 113 -8.433 5.267 8.538 1.00 0.00 N ATOM 1799 CA LEU A 113 -7.083 5.598 8.101 1.00 0.00 C ATOM 1800 C LEU A 113 -7.090 6.345 6.776 1.00 0.00 C ATOM 1801 O LEU A 113 -7.711 5.911 5.805 1.00 0.00 O ATOM 1802 CB LEU A 113 -6.235 4.330 7.976 1.00 0.00 C ATOM 1803 CG LEU A 113 -5.545 3.876 9.262 1.00 0.00 C ATOM 1804 CD1 LEU A 113 -4.258 4.656 9.479 1.00 0.00 C ATOM 1805 CD2 LEU A 113 -6.480 4.026 10.455 1.00 0.00 C ATOM 0 H LEU A 113 -8.954 4.672 7.894 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.647 6.251 8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.872 3.520 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.474 4.496 7.214 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.291 2.821 9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.780 4.320 10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.585 4.489 8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.485 5.719 9.556 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.970 3.698 11.361 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.770 5.071 10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.370 3.417 10.299 1.00 0.00 H new ATOM 1817 N VAL A 114 -6.374 7.461 6.740 1.00 0.00 N ATOM 1818 CA VAL A 114 -6.268 8.265 5.530 1.00 0.00 C ATOM 1819 C VAL A 114 -4.865 8.135 4.951 1.00 0.00 C ATOM 1820 O VAL A 114 -3.900 8.655 5.512 1.00 0.00 O ATOM 1821 CB VAL A 114 -6.577 9.752 5.805 1.00 0.00 C ATOM 1822 CG1 VAL A 114 -5.616 10.323 6.838 1.00 0.00 C ATOM 1823 CG2 VAL A 114 -6.527 10.557 4.515 1.00 0.00 C ATOM 0 H VAL A 114 -5.857 7.831 7.537 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.004 7.895 4.816 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.586 9.821 6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.853 11.372 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.712 9.767 7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.594 10.240 6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -6.748 11.603 4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.533 10.479 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -7.265 10.167 3.814 1.00 0.00 H new ATOM 1833 N GLN A 115 -4.753 7.415 3.842 1.00 0.00 N ATOM 1834 CA GLN A 115 -3.460 7.192 3.209 1.00 0.00 C ATOM 1835 C GLN A 115 -3.204 8.172 2.069 1.00 0.00 C ATOM 1836 O GLN A 115 -4.101 8.489 1.289 1.00 0.00 O ATOM 1837 CB GLN A 115 -3.371 5.757 2.688 1.00 0.00 C ATOM 1838 CG GLN A 115 -3.668 4.706 3.746 1.00 0.00 C ATOM 1839 CD GLN A 115 -5.115 4.256 3.733 1.00 0.00 C ATOM 1840 OE1 GLN A 115 -5.978 4.885 4.345 1.00 0.00 O ATOM 1841 NE2 GLN A 115 -5.388 3.160 3.035 1.00 0.00 N ATOM 0 H GLN A 115 -5.540 6.977 3.363 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.694 7.357 3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -4.070 5.636 1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.372 5.586 2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -3.022 3.843 3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -3.426 5.108 4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.641 2.670 2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -6.344 2.808 2.991 1.00 0.00 H new ATOM 1850 N THR A 116 -1.961 8.630 1.980 1.00 0.00 N ATOM 1851 CA THR A 116 -1.545 9.558 0.937 1.00 0.00 C ATOM 1852 C THR A 116 -0.236 9.084 0.322 1.00 0.00 C ATOM 1853 O THR A 116 0.798 9.048 0.990 1.00 0.00 O ATOM 1854 CB THR A 116 -1.377 10.967 1.507 1.00 0.00 C ATOM 1855 OG1 THR A 116 -2.179 11.142 2.661 1.00 0.00 O ATOM 1856 CG2 THR A 116 -1.741 12.058 0.524 1.00 0.00 C ATOM 0 H THR A 116 -1.216 8.369 2.626 1.00 0.00 H new ATOM 0 HA THR A 116 -2.315 9.588 0.166 1.00 0.00 H new ATOM 0 HB THR A 116 -0.317 11.056 1.747 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.055 12.049 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.599 13.032 0.992 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.103 11.982 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.784 11.947 0.227 1.00 0.00 H new ATOM 1864 N TYR A 117 -0.285 8.712 -0.949 1.00 0.00 N ATOM 1865 CA TYR A 117 0.894 8.231 -1.647 1.00 0.00 C ATOM 1866 C TYR A 117 1.302 9.212 -2.735 1.00 0.00 C ATOM 1867 O TYR A 117 0.457 9.906 -3.299 1.00 0.00 O ATOM 1868 CB TYR A 117 0.621 6.859 -2.271 1.00 0.00 C ATOM 1869 CG TYR A 117 -0.040 5.864 -1.340 1.00 0.00 C ATOM 1870 CD1 TYR A 117 -1.347 6.046 -0.898 1.00 0.00 C ATOM 1871 CD2 TYR A 117 0.644 4.735 -0.911 1.00 0.00 C ATOM 1872 CE1 TYR A 117 -1.946 5.132 -0.054 1.00 0.00 C ATOM 1873 CE2 TYR A 117 0.050 3.816 -0.067 1.00 0.00 C ATOM 1874 CZ TYR A 117 -1.245 4.019 0.358 1.00 0.00 C ATOM 1875 OH TYR A 117 -1.840 3.107 1.199 1.00 0.00 O ATOM 0 H TYR A 117 -1.132 8.735 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 117 1.706 8.140 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.013 6.993 -3.148 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.564 6.439 -2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.901 6.915 -1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.659 4.572 -1.243 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -2.960 5.289 0.282 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.598 2.944 0.258 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.211 2.381 1.392 1.00 0.00 H new ATOM 1885 N VAL A 118 2.593 9.260 -3.038 1.00 0.00 N ATOM 1886 CA VAL A 118 3.089 10.148 -4.069 1.00 0.00 C ATOM 1887 C VAL A 118 4.279 9.534 -4.803 1.00 0.00 C ATOM 1888 O VAL A 118 5.123 8.876 -4.198 1.00 0.00 O ATOM 1889 CB VAL A 118 3.493 11.518 -3.489 1.00 0.00 C ATOM 1890 CG1 VAL A 118 4.807 11.430 -2.727 1.00 0.00 C ATOM 1891 CG2 VAL A 118 3.580 12.544 -4.603 1.00 0.00 C ATOM 0 H VAL A 118 3.310 8.694 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 118 2.274 10.296 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 118 2.727 11.832 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.064 12.412 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.704 10.722 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.596 11.092 -3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.866 13.510 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.327 12.228 -5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.610 12.633 -5.093 1.00 0.00 H new ATOM 1901 N TYR A 119 4.338 9.758 -6.108 1.00 0.00 N ATOM 1902 CA TYR A 119 5.421 9.239 -6.929 1.00 0.00 C ATOM 1903 C TYR A 119 5.587 10.090 -8.182 1.00 0.00 C ATOM 1904 O TYR A 119 4.734 10.076 -9.069 1.00 0.00 O ATOM 1905 CB TYR A 119 5.162 7.779 -7.297 1.00 0.00 C ATOM 1906 CG TYR A 119 6.089 7.255 -8.363 1.00 0.00 C ATOM 1907 CD1 TYR A 119 7.343 6.776 -8.036 1.00 0.00 C ATOM 1908 CD2 TYR A 119 5.710 7.251 -9.692 1.00 0.00 C ATOM 1909 CE1 TYR A 119 8.198 6.302 -9.005 1.00 0.00 C ATOM 1910 CE2 TYR A 119 6.561 6.783 -10.673 1.00 0.00 C ATOM 1911 CZ TYR A 119 7.803 6.308 -10.325 1.00 0.00 C ATOM 1912 OH TYR A 119 8.654 5.850 -11.303 1.00 0.00 O ATOM 0 H TYR A 119 3.644 10.299 -6.623 1.00 0.00 H new ATOM 0 HA TYR A 119 6.347 9.285 -6.355 1.00 0.00 H new ATOM 0 HB2 TYR A 119 5.264 7.164 -6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 119 4.132 7.676 -7.639 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.658 6.773 -7.003 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.733 7.620 -9.967 1.00 0.00 H new ATOM 0 HE1 TYR A 119 9.173 5.927 -8.732 1.00 0.00 H new ATOM 0 HE2 TYR A 119 6.253 6.790 -11.708 1.00 0.00 H new ATOM 0 HH TYR A 119 8.619 6.452 -12.075 1.00 0.00 H new ATOM 1922 N GLU A 120 6.688 10.838 -8.230 1.00 0.00 N ATOM 1923 CA GLU A 120 6.992 11.729 -9.355 1.00 0.00 C ATOM 1924 C GLU A 120 5.725 12.240 -10.040 1.00 0.00 C ATOM 1925 O GLU A 120 5.229 11.627 -10.985 1.00 0.00 O ATOM 1926 CB GLU A 120 7.887 11.033 -10.390 1.00 0.00 C ATOM 1927 CG GLU A 120 7.745 9.521 -10.432 1.00 0.00 C ATOM 1928 CD GLU A 120 8.668 8.886 -11.454 1.00 0.00 C ATOM 1929 OE1 GLU A 120 9.899 9.064 -11.333 1.00 0.00 O ATOM 1930 OE2 GLU A 120 8.162 8.210 -12.374 1.00 0.00 O ATOM 0 H GLU A 120 7.394 10.846 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 120 7.525 12.583 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.658 11.434 -11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.927 11.282 -10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.961 9.110 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.713 9.261 -10.667 1.00 0.00 H new ATOM 1937 N GLY A 121 5.219 13.375 -9.570 1.00 0.00 N ATOM 1938 CA GLY A 121 4.030 13.957 -10.165 1.00 0.00 C ATOM 1939 C GLY A 121 2.729 13.367 -9.649 1.00 0.00 C ATOM 1940 O GLY A 121 1.828 14.101 -9.245 1.00 0.00 O ATOM 0 H GLY A 121 5.610 13.902 -8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 121 4.030 15.031 -9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 121 4.074 13.823 -11.246 1.00 0.00 H new ATOM 1944 N VAL A 122 2.616 12.044 -9.690 1.00 0.00 N ATOM 1945 CA VAL A 122 1.400 11.367 -9.253 1.00 0.00 C ATOM 1946 C VAL A 122 1.295 11.275 -7.734 1.00 0.00 C ATOM 1947 O VAL A 122 2.237 10.886 -7.051 1.00 0.00 O ATOM 1948 CB VAL A 122 1.307 9.953 -9.873 1.00 0.00 C ATOM 1949 CG1 VAL A 122 0.235 9.111 -9.211 1.00 0.00 C ATOM 1950 CG2 VAL A 122 1.056 10.060 -11.366 1.00 0.00 C ATOM 0 H VAL A 122 3.351 11.419 -10.021 1.00 0.00 H new ATOM 0 HA VAL A 122 0.564 11.972 -9.603 1.00 0.00 H new ATOM 0 HB VAL A 122 2.259 9.450 -9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.205 8.127 -9.678 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.461 9.003 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.733 9.597 -9.328 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.992 9.061 -11.797 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.120 10.591 -11.541 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.876 10.605 -11.835 1.00 0.00 H new ATOM 1960 N GLU A 123 0.117 11.616 -7.226 1.00 0.00 N ATOM 1961 CA GLU A 123 -0.166 11.558 -5.801 1.00 0.00 C ATOM 1962 C GLU A 123 -1.567 10.998 -5.593 1.00 0.00 C ATOM 1963 O GLU A 123 -2.551 11.588 -6.039 1.00 0.00 O ATOM 1964 CB GLU A 123 -0.046 12.945 -5.167 1.00 0.00 C ATOM 1965 CG GLU A 123 0.410 12.909 -3.718 1.00 0.00 C ATOM 1966 CD GLU A 123 1.306 14.078 -3.358 1.00 0.00 C ATOM 1967 OE1 GLU A 123 1.263 15.101 -4.074 1.00 0.00 O ATOM 1968 OE2 GLU A 123 2.050 13.971 -2.361 1.00 0.00 O ATOM 0 H GLU A 123 -0.667 11.940 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 123 0.562 10.906 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.658 13.542 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.012 13.447 -5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.464 12.912 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.943 11.977 -3.532 1.00 0.00 H new ATOM 1975 N ALA A 124 -1.653 9.846 -4.940 1.00 0.00 N ATOM 1976 CA ALA A 124 -2.940 9.205 -4.711 1.00 0.00 C ATOM 1977 C ALA A 124 -3.229 9.032 -3.230 1.00 0.00 C ATOM 1978 O ALA A 124 -2.362 8.641 -2.458 1.00 0.00 O ATOM 1979 CB ALA A 124 -2.992 7.858 -5.432 1.00 0.00 C ATOM 0 H ALA A 124 -0.852 9.340 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.714 9.856 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.959 7.387 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.855 8.013 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.199 7.212 -5.054 1.00 0.00 H new ATOM 1985 N LYS A 125 -4.468 9.317 -2.850 1.00 0.00 N ATOM 1986 CA LYS A 125 -4.897 9.188 -1.466 1.00 0.00 C ATOM 1987 C LYS A 125 -5.810 7.980 -1.337 1.00 0.00 C ATOM 1988 O LYS A 125 -6.282 7.450 -2.343 1.00 0.00 O ATOM 1989 CB LYS A 125 -5.630 10.451 -1.010 1.00 0.00 C ATOM 1990 CG LYS A 125 -4.705 11.538 -0.490 1.00 0.00 C ATOM 1991 CD LYS A 125 -3.939 12.206 -1.620 1.00 0.00 C ATOM 1992 CE LYS A 125 -4.878 12.857 -2.622 1.00 0.00 C ATOM 1993 NZ LYS A 125 -5.949 13.645 -1.950 1.00 0.00 N ATOM 0 H LYS A 125 -5.196 9.641 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.021 9.055 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -6.208 10.847 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -6.341 10.186 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -5.287 12.286 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -4.002 11.108 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.266 12.958 -1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.320 11.467 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.308 13.510 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -5.331 12.088 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -6.407 14.270 -2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -6.656 12.997 -1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -5.532 14.219 -1.189 1.00 0.00 H new ATOM 2007 N ARG A 126 -6.046 7.525 -0.115 1.00 0.00 N ATOM 2008 CA ARG A 126 -6.891 6.358 0.081 1.00 0.00 C ATOM 2009 C ARG A 126 -7.547 6.335 1.457 1.00 0.00 C ATOM 2010 O ARG A 126 -6.869 6.260 2.481 1.00 0.00 O ATOM 2011 CB ARG A 126 -6.064 5.086 -0.123 1.00 0.00 C ATOM 2012 CG ARG A 126 -6.855 3.803 0.085 1.00 0.00 C ATOM 2013 CD ARG A 126 -6.551 2.774 -0.992 1.00 0.00 C ATOM 2014 NE ARG A 126 -5.605 1.760 -0.531 1.00 0.00 N ATOM 2015 CZ ARG A 126 -4.283 1.862 -0.657 1.00 0.00 C ATOM 2016 NH1 ARG A 126 -3.740 2.934 -1.223 1.00 0.00 N ATOM 2017 NH2 ARG A 126 -3.499 0.889 -0.212 1.00 0.00 N ATOM 0 H ARG A 126 -5.672 7.937 0.740 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.693 6.408 -0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.652 5.089 -1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.220 5.098 0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -6.620 3.385 1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -7.921 4.028 0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -7.477 2.291 -1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -6.144 3.277 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.980 0.923 -0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.336 3.687 -1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -2.727 3.004 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.909 0.064 0.226 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -2.486 0.966 -0.308 1.00 0.00 H new ATOM 2031 N ILE A 127 -8.877 6.354 1.464 1.00 0.00 N ATOM 2032 CA ILE A 127 -9.636 6.287 2.704 1.00 0.00 C ATOM 2033 C ILE A 127 -9.775 4.829 3.108 1.00 0.00 C ATOM 2034 O ILE A 127 -10.096 3.976 2.278 1.00 0.00 O ATOM 2035 CB ILE A 127 -11.042 6.907 2.570 1.00 0.00 C ATOM 2036 CG1 ILE A 127 -10.956 8.353 2.072 1.00 0.00 C ATOM 2037 CG2 ILE A 127 -11.775 6.848 3.906 1.00 0.00 C ATOM 2038 CD1 ILE A 127 -10.530 8.479 0.625 1.00 0.00 C ATOM 0 H ILE A 127 -9.450 6.415 0.622 1.00 0.00 H new ATOM 0 HA ILE A 127 -9.097 6.860 3.458 1.00 0.00 H new ATOM 0 HB ILE A 127 -11.602 6.328 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -11.929 8.828 2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -10.251 8.901 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -12.766 7.289 3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -11.873 5.809 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -11.211 7.404 4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -10.493 9.532 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -9.543 8.035 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -11.247 7.961 -0.012 1.00 0.00 H new ATOM 2050 N PHE A 128 -9.499 4.533 4.366 1.00 0.00 N ATOM 2051 CA PHE A 128 -9.560 3.161 4.838 1.00 0.00 C ATOM 2052 C PHE A 128 -10.662 2.932 5.869 1.00 0.00 C ATOM 2053 O PHE A 128 -11.056 3.838 6.601 1.00 0.00 O ATOM 2054 CB PHE A 128 -8.211 2.766 5.437 1.00 0.00 C ATOM 2055 CG PHE A 128 -8.280 1.507 6.239 1.00 0.00 C ATOM 2056 CD1 PHE A 128 -8.311 0.283 5.606 1.00 0.00 C ATOM 2057 CD2 PHE A 128 -8.343 1.547 7.622 1.00 0.00 C ATOM 2058 CE1 PHE A 128 -8.403 -0.873 6.329 1.00 0.00 C ATOM 2059 CE2 PHE A 128 -8.427 0.381 8.354 1.00 0.00 C ATOM 2060 CZ PHE A 128 -8.459 -0.832 7.705 1.00 0.00 C ATOM 0 H PHE A 128 -9.233 5.218 5.074 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.796 2.538 3.975 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.485 2.640 4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -7.849 3.576 6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -8.262 0.237 4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -8.326 2.499 8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -8.432 -1.824 5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.468 0.420 9.433 1.00 0.00 H new ATOM 0 HZ PHE A 128 -8.528 -1.749 8.272 1.00 0.00 H new ATOM 2070 N LYS A 129 -11.120 1.683 5.928 1.00 0.00 N ATOM 2071 CA LYS A 129 -12.143 1.261 6.875 1.00 0.00 C ATOM 2072 C LYS A 129 -11.830 -0.153 7.349 1.00 0.00 C ATOM 2073 O LYS A 129 -11.046 -0.860 6.719 1.00 0.00 O ATOM 2074 CB LYS A 129 -13.534 1.310 6.242 1.00 0.00 C ATOM 2075 CG LYS A 129 -13.945 2.700 5.787 1.00 0.00 C ATOM 2076 CD LYS A 129 -15.417 2.751 5.411 1.00 0.00 C ATOM 2077 CE LYS A 129 -15.798 4.104 4.833 1.00 0.00 C ATOM 2078 NZ LYS A 129 -17.144 4.078 4.197 1.00 0.00 N ATOM 0 H LYS A 129 -10.790 0.935 5.318 1.00 0.00 H new ATOM 0 HA LYS A 129 -12.141 1.944 7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -13.559 0.634 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -14.265 0.941 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.747 3.418 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.339 2.998 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -15.635 1.969 4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -16.026 2.546 6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -15.785 4.853 5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -15.054 4.406 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -17.219 4.857 3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -17.279 3.171 3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -17.876 4.188 4.928 1.00 0.00 H new ATOM 2092 N LYS A 130 -12.425 -0.568 8.456 1.00 0.00 N ATOM 2093 CA LYS A 130 -12.169 -1.905 8.983 1.00 0.00 C ATOM 2094 C LYS A 130 -13.362 -2.829 8.778 1.00 0.00 C ATOM 2095 O LYS A 130 -14.510 -2.386 8.737 1.00 0.00 O ATOM 2096 CB LYS A 130 -11.807 -1.840 10.464 1.00 0.00 C ATOM 2097 CG LYS A 130 -12.783 -1.025 11.297 1.00 0.00 C ATOM 2098 CD LYS A 130 -12.353 -0.961 12.754 1.00 0.00 C ATOM 2099 CE LYS A 130 -12.924 -2.121 13.554 1.00 0.00 C ATOM 2100 NZ LYS A 130 -12.000 -2.558 14.637 1.00 0.00 N ATOM 0 H LYS A 130 -13.080 -0.010 9.003 1.00 0.00 H new ATOM 0 HA LYS A 130 -11.326 -2.316 8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -11.761 -2.854 10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -10.810 -1.412 10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.853 -0.015 10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.778 -1.466 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -11.265 -0.976 12.814 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -12.683 -0.019 13.191 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -13.879 -1.827 13.989 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -13.123 -2.959 12.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -12.426 -3.350 15.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -11.097 -2.863 14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -11.830 -1.766 15.289 1.00 0.00 H new ATOM 2114 N ASP A 131 -13.074 -4.120 8.651 1.00 0.00 N ATOM 2115 CA ASP A 131 -14.111 -5.124 8.451 1.00 0.00 C ATOM 2116 C ASP A 131 -14.984 -5.262 9.694 1.00 0.00 C ATOM 2117 O ASP A 131 -16.219 -5.365 9.540 1.00 0.35 O ATOM 2118 CB ASP A 131 -13.476 -6.472 8.105 1.00 0.00 C ATOM 2119 CG ASP A 131 -14.367 -7.321 7.220 1.00 0.00 C ATOM 2120 OD1 ASP A 131 -15.565 -7.462 7.543 1.00 0.00 O ATOM 2121 OD2 ASP A 131 -13.867 -7.846 6.203 1.00 0.00 O ATOM 2122 OXT ASP A 131 -14.425 -5.266 10.811 1.00 0.35 O ATOM 0 H ASP A 131 -12.126 -4.496 8.683 1.00 0.00 H new ATOM 0 HA ASP A 131 -14.743 -4.802 7.623 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.524 -6.303 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.259 -7.015 9.025 1.00 0.00 H new TER 2127 ASP A 131 HETATM 2128 O3 KTR A 201 1.682 4.019 -3.522 1.00 20.00 O HETATM 2129 C4 KTR A 201 -1.030 0.572 -4.612 1.00 20.00 C HETATM 2130 C5 KTR A 201 0.058 0.801 -3.885 1.00 20.00 C HETATM 2131 C6 KTR A 201 2.033 -0.105 -3.081 1.00 20.00 C HETATM 2132 N1 KTR A 201 0.782 -0.338 -3.846 1.00 20.00 N HETATM 2133 C7 KTR A 201 1.785 1.092 -2.248 1.00 20.00 C HETATM 2134 C8 KTR A 201 0.790 1.865 -3.074 1.00 20.00 C HETATM 2135 C9 KTR A 201 1.480 2.878 -3.990 1.00 20.00 C HETATM 2136 C10 KTR A 201 0.983 -3.132 -6.206 1.00 20.00 C HETATM 2137 C11 KTR A 201 0.482 -4.315 -6.740 1.00 20.00 C HETATM 2138 C12 KTR A 201 0.806 -4.701 -8.034 1.00 20.00 C HETATM 2139 C13 KTR A 201 1.639 -3.900 -8.806 1.00 20.00 C HETATM 2140 C14 KTR A 201 2.146 -2.717 -8.282 1.00 20.00 C HETATM 2141 C15 KTR A 201 1.818 -2.338 -6.987 1.00 20.00 C HETATM 2142 O1 KTR A 201 0.681 -3.494 -3.851 1.00 20.00 O HETATM 2143 C1 KTR A 201 0.606 -2.700 -4.788 1.00 20.00 C HETATM 2144 C2 KTR A 201 0.132 -1.267 -4.552 1.00 20.00 C HETATM 2145 C3 KTR A 201 -0.983 -0.733 -5.031 1.00 20.00 C HETATM 2146 O2 KTR A 201 1.791 2.487 -5.136 1.00 20.00 O HETATM 0 H9 KTR A 201 0.408 -5.630 -8.443 1.00 20.00 H new HETATM 0 H8 KTR A 201 -0.171 -4.945 -6.137 1.00 20.00 H new HETATM 0 H7 KTR A 201 0.115 2.452 -2.451 1.00 20.00 H new HETATM 0 H6 KTR A 201 1.383 0.829 -1.270 1.00 20.00 H new HETATM 0 H5 KTR A 201 2.698 1.662 -2.075 1.00 20.00 H new HETATM 0 H4 KTR A 201 2.278 -0.968 -2.461 1.00 20.00 H new HETATM 0 H3 KTR A 201 2.877 0.055 -3.752 1.00 20.00 H new HETATM 0 H2 KTR A 201 -1.818 1.291 -4.835 1.00 20.00 H new HETATM 0 H13 KTR A 201 -1.727 -1.239 -5.646 1.00 20.00 H new HETATM 0 H12 KTR A 201 2.218 -1.410 -6.578 1.00 20.00 H new HETATM 0 H11 KTR A 201 2.800 -2.088 -8.886 1.00 20.00 H new HETATM 0 H10 KTR A 201 1.895 -4.200 -9.822 1.00 20.00 H new HETATM 0 H1 KTR A 201 0.953 4.256 -2.911 1.00 20.00 H new