USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1079 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 HIS : no HD1:sc= 0 X(o=0.73,f=0.72) USER MOD Set 1.2: A 136 SER OG : rot 68:sc= 0.727 USER MOD Set 2.1: A 35 SER OG : rot 33:sc= 0.0381 USER MOD Set 2.2: A 38 SER OG : rot 12:sc= 0.697 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00435 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -72:sc= 1.24 USER MOD Single : A 34 LYS NZ :NH3+ -151:sc= 1.17 (180deg=1.04) USER MOD Single : A 40 ASN : amide:sc= -1.81! C(o=-1.8!,f=-6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0063 X(o=-0.0063,f=-0.0083) USER MOD Single : A 47 HIS : no HD1:sc=-0.00163 X(o=-0.0016,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.401 X(o=-0.4,f=-0.4) USER MOD Single : A 57 TYR OH : rot -77:sc= 0.213 USER MOD Single : A 59 ASN : amide:sc= 0.842 K(o=0.84,f=-4.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.29) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 70 GLN : amide:sc= -0.277 K(o=-0.28,f=-0.99) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -163:sc= 1.18 (180deg=0.916) USER MOD Single : A 81 LYS NZ :NH3+ -121:sc= 1.09 (180deg=0.0432) USER MOD Single : A 88 ASN : amide:sc= -0.36 K(o=-0.36,f=-3.2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 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 99 TYR OH : rot 180:sc= 0.674 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= -0.0829 (180deg=-0.476) USER MOD Single : A 105 SER OG : rot -174:sc= 0.349 USER MOD Single : A 108 GLN : amide:sc= 0.691 K(o=0.69,f=-0.23) USER MOD Single : A 110 SER OG : rot -124:sc= 1.22 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.015) USER MOD Single : A 114 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.03) USER MOD Single : A 123 TYR OH : rot 180:sc=-0.00588 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 108:sc= 1.27 USER MOD Single : A 132 CYS SG : rot 150:sc= -5.08! USER MOD Single : A 138 LYS NZ :NH3+ 157:sc= 1.3 (180deg=1.23) USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot -17:sc= 0.897 USER MOD Single : A 143 LYS NZ :NH3+ 179:sc= 1.03 (180deg=1.02) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -28.669 8.108 14.585 1.00 11.00 N ATOM 2 CA ASP A 14 -27.981 9.171 13.860 1.00 43.05 C ATOM 3 C ASP A 14 -26.574 8.755 13.527 1.00 55.54 C ATOM 4 O ASP A 14 -25.773 8.466 14.423 1.00 50.04 O ATOM 5 CB ASP A 14 -27.946 10.458 14.680 1.00 64.44 C ATOM 6 CG ASP A 14 -27.146 11.551 14.005 1.00 63.43 C ATOM 7 OD1 ASP A 14 -25.953 11.695 14.293 1.00 31.34 O ATOM 8 OD2 ASP A 14 -27.708 12.298 13.187 1.00 23.00 O ATOM 0 HA ASP A 14 -28.533 9.355 12.938 1.00 43.05 H new ATOM 0 HB2 ASP A 14 -28.965 10.807 14.846 1.00 64.44 H new ATOM 0 HB3 ASP A 14 -27.517 10.250 15.660 1.00 64.44 H new ATOM 13 N MET A 15 -26.272 8.695 12.258 1.00 74.15 N ATOM 14 CA MET A 15 -24.936 8.395 11.822 1.00 32.22 C ATOM 15 C MET A 15 -24.207 9.687 11.561 1.00 1.44 C ATOM 16 O MET A 15 -24.533 10.397 10.615 1.00 44.43 O ATOM 17 CB MET A 15 -24.923 7.564 10.524 1.00 45.41 C ATOM 18 CG MET A 15 -25.564 6.193 10.606 1.00 74.23 C ATOM 19 SD MET A 15 -25.433 5.296 9.041 1.00 52.13 S ATOM 20 CE MET A 15 -26.318 3.789 9.440 1.00 63.43 C ATOM 0 H MET A 15 -26.940 8.851 11.503 1.00 74.15 H new ATOM 0 HA MET A 15 -24.454 7.813 12.607 1.00 32.22 H new ATOM 0 HB2 MET A 15 -25.430 8.134 9.746 1.00 45.41 H new ATOM 0 HB3 MET A 15 -23.888 7.441 10.205 1.00 45.41 H new ATOM 0 HG2 MET A 15 -25.086 5.615 11.397 1.00 74.23 H new ATOM 0 HG3 MET A 15 -26.614 6.298 10.878 1.00 74.23 H new ATOM 0 HE1 MET A 15 -26.324 3.130 8.572 1.00 63.43 H new ATOM 0 HE2 MET A 15 -25.825 3.287 10.273 1.00 63.43 H new ATOM 0 HE3 MET A 15 -27.343 4.032 9.719 1.00 63.43 H new ATOM 30 N VAL A 16 -23.284 10.033 12.416 1.00 20.32 N ATOM 31 CA VAL A 16 -22.435 11.181 12.158 1.00 2.30 C ATOM 32 C VAL A 16 -21.432 10.720 11.117 1.00 1.22 C ATOM 33 O VAL A 16 -20.982 9.581 11.199 1.00 3.40 O ATOM 34 CB VAL A 16 -21.649 11.621 13.433 1.00 63.54 C ATOM 35 CG1 VAL A 16 -20.875 12.912 13.196 1.00 62.42 C ATOM 36 CG2 VAL A 16 -22.558 11.751 14.643 1.00 12.31 C ATOM 0 H VAL A 16 -23.095 9.546 13.292 1.00 20.32 H new ATOM 0 HA VAL A 16 -23.039 12.029 11.836 1.00 2.30 H new ATOM 0 HB VAL A 16 -20.928 10.831 13.646 1.00 63.54 H new ATOM 0 HG11 VAL A 16 -20.340 13.188 14.105 1.00 62.42 H new ATOM 0 HG12 VAL A 16 -20.161 12.765 12.385 1.00 62.42 H new ATOM 0 HG13 VAL A 16 -21.569 13.708 12.928 1.00 62.42 H new ATOM 0 HG21 VAL A 16 -21.971 12.059 15.508 1.00 12.31 H new ATOM 0 HG22 VAL A 16 -23.327 12.497 14.442 1.00 12.31 H new ATOM 0 HG23 VAL A 16 -23.030 10.790 14.848 1.00 12.31 H new ATOM 46 N THR A 17 -21.097 11.554 10.149 1.00 71.51 N ATOM 47 CA THR A 17 -20.120 11.184 9.127 1.00 42.31 C ATOM 48 C THR A 17 -18.802 10.752 9.751 1.00 52.13 C ATOM 49 O THR A 17 -18.239 9.745 9.374 1.00 50.50 O ATOM 50 CB THR A 17 -19.882 12.333 8.146 1.00 35.15 C ATOM 51 OG1 THR A 17 -19.752 13.572 8.873 1.00 12.41 O ATOM 52 CG2 THR A 17 -21.007 12.424 7.134 1.00 72.23 C ATOM 0 H THR A 17 -21.484 12.492 10.044 1.00 71.51 H new ATOM 0 HA THR A 17 -20.535 10.339 8.578 1.00 42.31 H new ATOM 0 HB THR A 17 -18.959 12.141 7.600 1.00 35.15 H new ATOM 0 HG1 THR A 17 -19.598 14.306 8.243 1.00 12.41 H new ATOM 0 HG21 THR A 17 -20.814 13.249 6.448 1.00 72.23 H new ATOM 0 HG22 THR A 17 -21.068 11.492 6.572 1.00 72.23 H new ATOM 0 HG23 THR A 17 -21.950 12.597 7.653 1.00 72.23 H new ATOM 60 N ASP A 18 -18.376 11.496 10.751 1.00 33.44 N ATOM 61 CA ASP A 18 -17.148 11.219 11.502 1.00 30.10 C ATOM 62 C ASP A 18 -17.253 9.886 12.253 1.00 13.33 C ATOM 63 O ASP A 18 -16.299 9.082 12.300 1.00 43.41 O ATOM 64 CB ASP A 18 -16.914 12.353 12.480 1.00 73.21 C ATOM 65 CG ASP A 18 -15.670 12.186 13.302 1.00 1.11 C ATOM 66 OD1 ASP A 18 -14.565 12.402 12.761 1.00 42.25 O ATOM 67 OD2 ASP A 18 -15.784 11.898 14.510 1.00 11.34 O ATOM 0 H ASP A 18 -18.874 12.324 11.077 1.00 33.44 H new ATOM 0 HA ASP A 18 -16.311 11.143 10.808 1.00 30.10 H new ATOM 0 HB2 ASP A 18 -16.853 13.291 11.929 1.00 73.21 H new ATOM 0 HB3 ASP A 18 -17.773 12.431 13.147 1.00 73.21 H new ATOM 72 N LEU A 19 -18.445 9.627 12.771 1.00 13.34 N ATOM 73 CA LEU A 19 -18.728 8.402 13.502 1.00 41.33 C ATOM 74 C LEU A 19 -18.709 7.247 12.507 1.00 61.23 C ATOM 75 O LEU A 19 -18.274 6.137 12.813 1.00 13.20 O ATOM 76 CB LEU A 19 -20.104 8.546 14.238 1.00 73.22 C ATOM 77 CG LEU A 19 -20.611 7.404 15.167 1.00 43.43 C ATOM 78 CD1 LEU A 19 -21.103 6.188 14.389 1.00 54.45 C ATOM 79 CD2 LEU A 19 -19.534 7.002 16.166 1.00 40.21 C ATOM 0 H LEU A 19 -19.242 10.260 12.696 1.00 13.34 H new ATOM 0 HA LEU A 19 -17.978 8.205 14.268 1.00 41.33 H new ATOM 0 HB2 LEU A 19 -20.058 9.455 14.837 1.00 73.22 H new ATOM 0 HB3 LEU A 19 -20.865 8.705 13.474 1.00 73.22 H new ATOM 0 HG LEU A 19 -21.468 7.800 15.711 1.00 43.43 H new ATOM 0 HD11 LEU A 19 -21.444 5.423 15.087 1.00 54.45 H new ATOM 0 HD12 LEU A 19 -21.928 6.481 13.739 1.00 54.45 H new ATOM 0 HD13 LEU A 19 -20.289 5.789 13.784 1.00 54.45 H new ATOM 0 HD21 LEU A 19 -19.910 6.203 16.805 1.00 40.21 H new ATOM 0 HD22 LEU A 19 -18.652 6.653 15.629 1.00 40.21 H new ATOM 0 HD23 LEU A 19 -19.268 7.862 16.780 1.00 40.21 H new ATOM 91 N ASP A 20 -19.133 7.542 11.301 1.00 75.03 N ATOM 92 CA ASP A 20 -19.140 6.572 10.231 1.00 2.14 C ATOM 93 C ASP A 20 -17.718 6.265 9.810 1.00 55.31 C ATOM 94 O ASP A 20 -17.385 5.125 9.577 1.00 20.12 O ATOM 95 CB ASP A 20 -19.971 7.067 9.043 1.00 11.51 C ATOM 96 CG ASP A 20 -20.031 6.066 7.908 1.00 31.02 C ATOM 97 OD1 ASP A 20 -19.299 6.228 6.920 1.00 3.30 O ATOM 98 OD2 ASP A 20 -20.839 5.106 7.989 1.00 3.01 O ATOM 0 H ASP A 20 -19.483 8.462 11.033 1.00 75.03 H new ATOM 0 HA ASP A 20 -19.605 5.655 10.593 1.00 2.14 H new ATOM 0 HB2 ASP A 20 -20.984 7.287 9.381 1.00 11.51 H new ATOM 0 HB3 ASP A 20 -19.548 8.002 8.675 1.00 11.51 H new ATOM 103 N VAL A 21 -16.877 7.297 9.781 1.00 4.14 N ATOM 104 CA VAL A 21 -15.452 7.153 9.449 1.00 71.13 C ATOM 105 C VAL A 21 -14.786 6.186 10.419 1.00 20.43 C ATOM 106 O VAL A 21 -14.167 5.195 10.006 1.00 54.35 O ATOM 107 CB VAL A 21 -14.678 8.513 9.514 1.00 61.25 C ATOM 108 CG1 VAL A 21 -13.205 8.334 9.164 1.00 43.14 C ATOM 109 CG2 VAL A 21 -15.306 9.555 8.615 1.00 51.42 C ATOM 0 H VAL A 21 -17.158 8.256 9.986 1.00 4.14 H new ATOM 0 HA VAL A 21 -15.409 6.778 8.426 1.00 71.13 H new ATOM 0 HB VAL A 21 -14.746 8.866 10.543 1.00 61.25 H new ATOM 0 HG11 VAL A 21 -12.698 9.297 9.219 1.00 43.14 H new ATOM 0 HG12 VAL A 21 -12.745 7.641 9.869 1.00 43.14 H new ATOM 0 HG13 VAL A 21 -13.117 7.935 8.153 1.00 43.14 H new ATOM 0 HG21 VAL A 21 -14.742 10.485 8.687 1.00 51.42 H new ATOM 0 HG22 VAL A 21 -15.293 9.201 7.584 1.00 51.42 H new ATOM 0 HG23 VAL A 21 -16.336 9.731 8.926 1.00 51.42 H new ATOM 119 N LYS A 22 -14.930 6.456 11.708 1.00 24.21 N ATOM 120 CA LYS A 22 -14.307 5.598 12.701 1.00 42.45 C ATOM 121 C LYS A 22 -14.941 4.206 12.713 1.00 41.32 C ATOM 122 O LYS A 22 -14.256 3.216 12.947 1.00 22.12 O ATOM 123 CB LYS A 22 -14.314 6.218 14.102 1.00 24.00 C ATOM 124 CG LYS A 22 -15.696 6.490 14.670 1.00 23.23 C ATOM 125 CD LYS A 22 -15.632 6.982 16.104 1.00 14.31 C ATOM 126 CE LYS A 22 -15.011 5.937 17.023 1.00 53.00 C ATOM 127 NZ LYS A 22 -14.986 6.375 18.422 1.00 64.32 N ATOM 0 H LYS A 22 -15.460 7.243 12.083 1.00 24.21 H new ATOM 0 HA LYS A 22 -13.263 5.493 12.407 1.00 42.45 H new ATOM 0 HB2 LYS A 22 -13.782 5.552 14.781 1.00 24.00 H new ATOM 0 HB3 LYS A 22 -13.758 7.155 14.072 1.00 24.00 H new ATOM 0 HG2 LYS A 22 -16.202 7.233 14.054 1.00 23.23 H new ATOM 0 HG3 LYS A 22 -16.293 5.579 14.625 1.00 23.23 H new ATOM 0 HD2 LYS A 22 -15.048 7.901 16.149 1.00 14.31 H new ATOM 0 HD3 LYS A 22 -16.636 7.224 16.452 1.00 14.31 H new ATOM 0 HE2 LYS A 22 -15.574 5.007 16.945 1.00 53.00 H new ATOM 0 HE3 LYS A 22 -13.994 5.723 16.693 1.00 53.00 H new ATOM 0 HZ1 LYS A 22 -14.555 5.633 19.010 1.00 64.32 H new ATOM 0 HZ2 LYS A 22 -14.427 7.249 18.502 1.00 64.32 H new ATOM 0 HZ3 LYS A 22 -15.957 6.554 18.747 1.00 64.32 H new ATOM 141 N GLY A 23 -16.236 4.143 12.426 1.00 63.50 N ATOM 142 CA GLY A 23 -16.935 2.868 12.378 1.00 42.30 C ATOM 143 C GLY A 23 -16.481 2.031 11.200 1.00 30.24 C ATOM 144 O GLY A 23 -16.347 0.813 11.300 1.00 22.25 O ATOM 0 H GLY A 23 -16.819 4.955 12.224 1.00 63.50 H new ATOM 0 HA2 GLY A 23 -16.760 2.320 13.304 1.00 42.30 H new ATOM 0 HA3 GLY A 23 -18.009 3.043 12.309 1.00 42.30 H new ATOM 148 N LEU A 24 -16.224 2.699 10.096 1.00 2.15 N ATOM 149 CA LEU A 24 -15.750 2.098 8.886 1.00 43.31 C ATOM 150 C LEU A 24 -14.357 1.534 9.135 1.00 13.00 C ATOM 151 O LEU A 24 -14.060 0.385 8.787 1.00 71.12 O ATOM 152 CB LEU A 24 -15.694 3.188 7.813 1.00 4.04 C ATOM 153 CG LEU A 24 -15.371 2.748 6.417 1.00 11.24 C ATOM 154 CD1 LEU A 24 -16.551 2.017 5.812 1.00 63.43 C ATOM 155 CD2 LEU A 24 -14.932 3.915 5.545 1.00 5.53 C ATOM 0 H LEU A 24 -16.346 3.709 10.023 1.00 2.15 H new ATOM 0 HA LEU A 24 -16.407 1.291 8.560 1.00 43.31 H new ATOM 0 HB2 LEU A 24 -16.658 3.696 7.794 1.00 4.04 H new ATOM 0 HB3 LEU A 24 -14.951 3.926 8.117 1.00 4.04 H new ATOM 0 HG LEU A 24 -14.528 2.059 6.466 1.00 11.24 H new ATOM 0 HD11 LEU A 24 -16.303 1.703 4.798 1.00 63.43 H new ATOM 0 HD12 LEU A 24 -16.785 1.141 6.417 1.00 63.43 H new ATOM 0 HD13 LEU A 24 -17.415 2.681 5.785 1.00 63.43 H new ATOM 0 HD21 LEU A 24 -14.707 3.555 4.541 1.00 5.53 H new ATOM 0 HD22 LEU A 24 -15.733 4.653 5.495 1.00 5.53 H new ATOM 0 HD23 LEU A 24 -14.041 4.375 5.974 1.00 5.53 H new ATOM 167 N GLY A 25 -13.523 2.349 9.771 1.00 23.13 N ATOM 168 CA GLY A 25 -12.185 1.934 10.122 1.00 73.15 C ATOM 169 C GLY A 25 -12.199 0.765 11.085 1.00 20.51 C ATOM 170 O GLY A 25 -11.421 -0.174 10.942 1.00 74.23 O ATOM 0 H GLY A 25 -13.758 3.301 10.051 1.00 23.13 H new ATOM 0 HA2 GLY A 25 -11.641 1.656 9.219 1.00 73.15 H new ATOM 0 HA3 GLY A 25 -11.650 2.770 10.572 1.00 73.15 H new ATOM 174 N TYR A 26 -13.102 0.817 12.052 1.00 41.32 N ATOM 175 CA TYR A 26 -13.268 -0.245 13.030 1.00 51.25 C ATOM 176 C TYR A 26 -13.666 -1.544 12.351 1.00 51.43 C ATOM 177 O TYR A 26 -13.143 -2.603 12.688 1.00 40.43 O ATOM 178 CB TYR A 26 -14.321 0.146 14.091 1.00 14.41 C ATOM 179 CG TYR A 26 -14.608 -0.940 15.116 1.00 12.01 C ATOM 180 CD1 TYR A 26 -15.689 -1.805 14.966 1.00 22.35 C ATOM 181 CD2 TYR A 26 -13.792 -1.107 16.223 1.00 24.23 C ATOM 182 CE1 TYR A 26 -15.939 -2.798 15.889 1.00 50.42 C ATOM 183 CE2 TYR A 26 -14.037 -2.097 17.147 1.00 42.54 C ATOM 184 CZ TYR A 26 -15.107 -2.939 16.977 1.00 33.22 C ATOM 185 OH TYR A 26 -15.355 -3.920 17.910 1.00 53.01 O ATOM 0 H TYR A 26 -13.742 1.600 12.180 1.00 41.32 H new ATOM 0 HA TYR A 26 -12.311 -0.393 13.530 1.00 51.25 H new ATOM 0 HB2 TYR A 26 -13.980 1.041 14.612 1.00 14.41 H new ATOM 0 HB3 TYR A 26 -15.251 0.407 13.585 1.00 14.41 H new ATOM 0 HD1 TYR A 26 -16.342 -1.696 14.113 1.00 22.35 H new ATOM 0 HD2 TYR A 26 -12.948 -0.448 16.363 1.00 24.23 H new ATOM 0 HE1 TYR A 26 -16.782 -3.461 15.760 1.00 50.42 H new ATOM 0 HE2 TYR A 26 -13.389 -2.211 18.003 1.00 42.54 H new ATOM 0 HH TYR A 26 -14.673 -3.883 18.613 1.00 53.01 H new ATOM 195 N ASP A 27 -14.570 -1.446 11.389 1.00 42.13 N ATOM 196 CA ASP A 27 -15.096 -2.613 10.682 1.00 63.22 C ATOM 197 C ASP A 27 -13.980 -3.275 9.905 1.00 52.15 C ATOM 198 O ASP A 27 -13.751 -4.483 10.013 1.00 3.31 O ATOM 199 CB ASP A 27 -16.203 -2.192 9.718 1.00 4.44 C ATOM 200 CG ASP A 27 -17.084 -3.343 9.287 1.00 4.15 C ATOM 201 OD1 ASP A 27 -16.656 -4.214 8.518 1.00 53.20 O ATOM 202 OD2 ASP A 27 -18.268 -3.378 9.724 1.00 23.11 O ATOM 0 H ASP A 27 -14.962 -0.559 11.073 1.00 42.13 H new ATOM 0 HA ASP A 27 -15.506 -3.313 11.410 1.00 63.22 H new ATOM 0 HB2 ASP A 27 -16.819 -1.429 10.193 1.00 4.44 H new ATOM 0 HB3 ASP A 27 -15.754 -1.736 8.836 1.00 4.44 H new ATOM 207 N PHE A 28 -13.249 -2.444 9.192 1.00 3.50 N ATOM 208 CA PHE A 28 -12.128 -2.848 8.384 1.00 22.04 C ATOM 209 C PHE A 28 -11.045 -3.481 9.254 1.00 24.45 C ATOM 210 O PHE A 28 -10.593 -4.592 8.995 1.00 52.34 O ATOM 211 CB PHE A 28 -11.605 -1.601 7.651 1.00 61.24 C ATOM 212 CG PHE A 28 -10.281 -1.736 6.959 1.00 1.30 C ATOM 213 CD1 PHE A 28 -9.118 -1.494 7.659 1.00 25.45 C ATOM 214 CD2 PHE A 28 -10.193 -2.059 5.614 1.00 11.14 C ATOM 215 CE1 PHE A 28 -7.900 -1.572 7.043 1.00 21.52 C ATOM 216 CE2 PHE A 28 -8.963 -2.143 4.993 1.00 14.01 C ATOM 217 CZ PHE A 28 -7.818 -1.897 5.709 1.00 50.34 C ATOM 0 H PHE A 28 -13.427 -1.440 9.161 1.00 3.50 H new ATOM 0 HA PHE A 28 -12.429 -3.601 7.656 1.00 22.04 H new ATOM 0 HB2 PHE A 28 -12.348 -1.304 6.911 1.00 61.24 H new ATOM 0 HB3 PHE A 28 -11.531 -0.787 8.373 1.00 61.24 H new ATOM 0 HD1 PHE A 28 -9.170 -1.240 8.707 1.00 25.45 H new ATOM 0 HD2 PHE A 28 -11.093 -2.246 5.048 1.00 11.14 H new ATOM 0 HE1 PHE A 28 -6.999 -1.378 7.606 1.00 21.52 H new ATOM 0 HE2 PHE A 28 -8.902 -2.402 3.946 1.00 14.01 H new ATOM 0 HZ PHE A 28 -6.854 -1.959 5.226 1.00 50.34 H new ATOM 227 N ILE A 29 -10.662 -2.788 10.298 1.00 22.43 N ATOM 228 CA ILE A 29 -9.630 -3.261 11.189 1.00 41.31 C ATOM 229 C ILE A 29 -10.052 -4.526 11.915 1.00 52.14 C ATOM 230 O ILE A 29 -9.219 -5.411 12.164 1.00 0.12 O ATOM 231 CB ILE A 29 -9.138 -2.140 12.155 1.00 34.41 C ATOM 232 CG1 ILE A 29 -8.260 -1.130 11.404 1.00 41.52 C ATOM 233 CG2 ILE A 29 -8.412 -2.673 13.396 1.00 12.41 C ATOM 234 CD1 ILE A 29 -7.034 -1.745 10.753 1.00 40.32 C ATOM 0 H ILE A 29 -11.055 -1.882 10.554 1.00 22.43 H new ATOM 0 HA ILE A 29 -8.769 -3.532 10.579 1.00 41.31 H new ATOM 0 HB ILE A 29 -10.034 -1.639 12.522 1.00 34.41 H new ATOM 0 HG12 ILE A 29 -8.860 -0.642 10.636 1.00 41.52 H new ATOM 0 HG13 ILE A 29 -7.939 -0.354 12.099 1.00 41.52 H new ATOM 0 HG21 ILE A 29 -8.099 -1.837 14.021 1.00 12.41 H new ATOM 0 HG22 ILE A 29 -9.084 -3.318 13.962 1.00 12.41 H new ATOM 0 HG23 ILE A 29 -7.536 -3.244 13.088 1.00 12.41 H new ATOM 0 HD11 ILE A 29 -6.465 -0.968 10.242 1.00 40.32 H new ATOM 0 HD12 ILE A 29 -6.410 -2.209 11.517 1.00 40.32 H new ATOM 0 HD13 ILE A 29 -7.345 -2.500 10.031 1.00 40.32 H new ATOM 246 N ASP A 30 -11.339 -4.661 12.197 1.00 15.34 N ATOM 247 CA ASP A 30 -11.809 -5.864 12.848 1.00 54.12 C ATOM 248 C ASP A 30 -11.734 -7.007 11.913 1.00 40.43 C ATOM 249 O ASP A 30 -11.234 -8.038 12.267 1.00 54.24 O ATOM 250 CB ASP A 30 -13.215 -5.748 13.445 1.00 2.11 C ATOM 251 CG ASP A 30 -13.637 -7.031 14.150 1.00 70.41 C ATOM 252 OD1 ASP A 30 -14.545 -7.735 13.659 1.00 73.40 O ATOM 253 OD2 ASP A 30 -13.050 -7.370 15.204 1.00 23.11 O ATOM 0 H ASP A 30 -12.058 -3.968 11.990 1.00 15.34 H new ATOM 0 HA ASP A 30 -11.145 -6.029 13.697 1.00 54.12 H new ATOM 0 HB2 ASP A 30 -13.243 -4.919 14.152 1.00 2.11 H new ATOM 0 HB3 ASP A 30 -13.928 -5.516 12.654 1.00 2.11 H new ATOM 258 N LEU A 31 -12.133 -6.796 10.684 1.00 50.51 N ATOM 259 CA LEU A 31 -12.126 -7.866 9.740 1.00 20.21 C ATOM 260 C LEU A 31 -10.717 -8.267 9.344 1.00 73.13 C ATOM 261 O LEU A 31 -10.495 -9.389 8.972 1.00 62.21 O ATOM 262 CB LEU A 31 -13.069 -7.611 8.553 1.00 43.45 C ATOM 263 CG LEU A 31 -12.774 -6.421 7.642 1.00 3.12 C ATOM 264 CD1 LEU A 31 -11.612 -6.703 6.714 1.00 24.55 C ATOM 265 CD2 LEU A 31 -14.004 -6.033 6.867 1.00 65.44 C ATOM 0 H LEU A 31 -12.462 -5.900 10.324 1.00 50.51 H new ATOM 0 HA LEU A 31 -12.543 -8.741 10.239 1.00 20.21 H new ATOM 0 HB2 LEU A 31 -13.078 -8.509 7.936 1.00 43.45 H new ATOM 0 HB3 LEU A 31 -14.077 -7.486 8.949 1.00 43.45 H new ATOM 0 HG LEU A 31 -12.486 -5.581 8.274 1.00 3.12 H new ATOM 0 HD11 LEU A 31 -11.432 -5.834 6.082 1.00 24.55 H new ATOM 0 HD12 LEU A 31 -10.719 -6.914 7.303 1.00 24.55 H new ATOM 0 HD13 LEU A 31 -11.847 -7.564 6.089 1.00 24.55 H new ATOM 0 HD21 LEU A 31 -13.776 -5.184 6.223 1.00 65.44 H new ATOM 0 HD22 LEU A 31 -14.329 -6.875 6.256 1.00 65.44 H new ATOM 0 HD23 LEU A 31 -14.799 -5.759 7.560 1.00 65.44 H new ATOM 277 N VAL A 32 -9.774 -7.339 9.443 1.00 50.34 N ATOM 278 CA VAL A 32 -8.380 -7.647 9.211 1.00 3.32 C ATOM 279 C VAL A 32 -7.840 -8.525 10.362 1.00 24.15 C ATOM 280 O VAL A 32 -6.978 -9.383 10.166 1.00 14.51 O ATOM 281 CB VAL A 32 -7.539 -6.332 9.050 1.00 52.32 C ATOM 282 CG1 VAL A 32 -6.039 -6.610 9.045 1.00 41.15 C ATOM 283 CG2 VAL A 32 -7.913 -5.629 7.752 1.00 23.43 C ATOM 0 H VAL A 32 -9.956 -6.365 9.684 1.00 50.34 H new ATOM 0 HA VAL A 32 -8.289 -8.207 8.280 1.00 3.32 H new ATOM 0 HB VAL A 32 -7.768 -5.697 9.906 1.00 52.32 H new ATOM 0 HG11 VAL A 32 -5.495 -5.672 8.931 1.00 41.15 H new ATOM 0 HG12 VAL A 32 -5.754 -7.083 9.984 1.00 41.15 H new ATOM 0 HG13 VAL A 32 -5.795 -7.274 8.215 1.00 41.15 H new ATOM 0 HG21 VAL A 32 -7.324 -4.718 7.649 1.00 23.43 H new ATOM 0 HG22 VAL A 32 -7.710 -6.289 6.909 1.00 23.43 H new ATOM 0 HG23 VAL A 32 -8.973 -5.376 7.768 1.00 23.43 H new ATOM 293 N THR A 33 -8.425 -8.378 11.533 1.00 42.04 N ATOM 294 CA THR A 33 -7.961 -9.091 12.703 1.00 52.35 C ATOM 295 C THR A 33 -9.035 -10.072 13.148 1.00 54.02 C ATOM 296 O THR A 33 -9.064 -10.514 14.317 1.00 14.11 O ATOM 297 CB THR A 33 -7.628 -8.089 13.842 1.00 21.22 C ATOM 298 OG1 THR A 33 -8.757 -7.219 14.091 1.00 2.23 O ATOM 299 CG2 THR A 33 -6.421 -7.238 13.466 1.00 34.23 C ATOM 0 H THR A 33 -9.226 -7.768 11.699 1.00 42.04 H new ATOM 0 HA THR A 33 -7.053 -9.642 12.460 1.00 52.35 H new ATOM 0 HB THR A 33 -7.402 -8.662 14.741 1.00 21.22 H new ATOM 0 HG1 THR A 33 -8.847 -6.581 13.353 1.00 2.23 H new ATOM 0 HG21 THR A 33 -6.201 -6.541 14.275 1.00 34.23 H new ATOM 0 HG22 THR A 33 -5.559 -7.883 13.298 1.00 34.23 H new ATOM 0 HG23 THR A 33 -6.639 -6.680 12.555 1.00 34.23 H new ATOM 307 N LYS A 34 -9.883 -10.440 12.178 1.00 30.01 N ATOM 308 CA LYS A 34 -11.065 -11.257 12.394 1.00 44.41 C ATOM 309 C LYS A 34 -10.732 -12.541 13.129 1.00 25.25 C ATOM 310 O LYS A 34 -9.710 -13.175 12.849 1.00 50.22 O ATOM 311 CB LYS A 34 -11.770 -11.583 11.068 1.00 23.15 C ATOM 312 CG LYS A 34 -13.283 -11.761 11.213 1.00 35.31 C ATOM 313 CD LYS A 34 -13.949 -10.416 11.464 1.00 25.14 C ATOM 314 CE LYS A 34 -15.404 -10.539 11.839 1.00 24.51 C ATOM 315 NZ LYS A 34 -16.021 -9.208 12.020 1.00 72.10 N ATOM 0 H LYS A 34 -9.756 -10.167 11.203 1.00 30.01 H new ATOM 0 HA LYS A 34 -11.742 -10.671 13.015 1.00 44.41 H new ATOM 0 HB2 LYS A 34 -11.572 -10.784 10.354 1.00 23.15 H new ATOM 0 HB3 LYS A 34 -11.342 -12.495 10.652 1.00 23.15 H new ATOM 0 HG2 LYS A 34 -13.691 -12.214 10.310 1.00 35.31 H new ATOM 0 HG3 LYS A 34 -13.499 -12.441 12.037 1.00 35.31 H new ATOM 0 HD2 LYS A 34 -13.417 -9.897 12.261 1.00 25.14 H new ATOM 0 HD3 LYS A 34 -13.861 -9.801 10.569 1.00 25.14 H new ATOM 0 HE2 LYS A 34 -15.938 -11.088 11.063 1.00 24.51 H new ATOM 0 HE3 LYS A 34 -15.498 -11.115 12.759 1.00 24.51 H new ATOM 0 HZ1 LYS A 34 -16.796 -9.275 12.711 1.00 72.10 H new ATOM 0 HZ2 LYS A 34 -15.305 -8.538 12.367 1.00 72.10 H new ATOM 0 HZ3 LYS A 34 -16.397 -8.873 11.110 1.00 72.10 H new ATOM 329 N SER A 35 -11.595 -12.876 14.080 1.00 51.32 N ATOM 330 CA SER A 35 -11.496 -14.057 14.936 1.00 72.45 C ATOM 331 C SER A 35 -11.036 -15.305 14.168 1.00 62.22 C ATOM 332 O SER A 35 -11.502 -15.538 13.061 1.00 13.42 O ATOM 333 CB SER A 35 -12.875 -14.285 15.536 1.00 62.33 C ATOM 334 OG SER A 35 -13.876 -14.206 14.511 1.00 14.24 O ATOM 0 H SER A 35 -12.418 -12.310 14.286 1.00 51.32 H new ATOM 0 HA SER A 35 -10.744 -13.885 15.706 1.00 72.45 H new ATOM 0 HB2 SER A 35 -12.914 -15.262 16.019 1.00 62.33 H new ATOM 0 HB3 SER A 35 -13.073 -13.540 16.307 1.00 62.33 H new ATOM 0 HG SER A 35 -13.506 -14.538 13.666 1.00 14.24 H new ATOM 340 N PRO A 36 -10.139 -16.133 14.767 1.00 44.23 N ATOM 341 CA PRO A 36 -9.584 -17.343 14.120 1.00 0.12 C ATOM 342 C PRO A 36 -10.660 -18.337 13.676 1.00 2.40 C ATOM 343 O PRO A 36 -10.390 -19.251 12.896 1.00 60.13 O ATOM 344 CB PRO A 36 -8.681 -17.971 15.190 1.00 4.40 C ATOM 345 CG PRO A 36 -9.030 -17.296 16.469 1.00 43.43 C ATOM 346 CD PRO A 36 -9.582 -15.944 16.111 1.00 12.13 C ATOM 0 HA PRO A 36 -9.053 -17.082 13.205 1.00 0.12 H new ATOM 0 HB2 PRO A 36 -8.847 -19.046 15.258 1.00 4.40 H new ATOM 0 HB3 PRO A 36 -7.629 -17.826 14.947 1.00 4.40 H new ATOM 0 HG2 PRO A 36 -9.764 -17.878 17.025 1.00 43.43 H new ATOM 0 HG3 PRO A 36 -8.151 -17.198 17.107 1.00 43.43 H new ATOM 0 HD2 PRO A 36 -10.347 -15.625 16.819 1.00 12.13 H new ATOM 0 HD3 PRO A 36 -8.804 -15.181 16.117 1.00 12.13 H new ATOM 354 N ASP A 37 -11.871 -18.153 14.191 1.00 71.23 N ATOM 355 CA ASP A 37 -13.047 -18.955 13.776 1.00 12.02 C ATOM 356 C ASP A 37 -13.308 -18.728 12.276 1.00 21.24 C ATOM 357 O ASP A 37 -13.772 -19.614 11.553 1.00 64.03 O ATOM 358 CB ASP A 37 -14.287 -18.506 14.588 1.00 15.12 C ATOM 359 CG ASP A 37 -15.554 -19.272 14.266 1.00 13.43 C ATOM 360 OD1 ASP A 37 -16.301 -18.879 13.346 1.00 50.11 O ATOM 361 OD2 ASP A 37 -15.845 -20.285 14.951 1.00 50.52 O ATOM 0 H ASP A 37 -12.078 -17.453 14.903 1.00 71.23 H new ATOM 0 HA ASP A 37 -12.856 -20.012 13.960 1.00 12.02 H new ATOM 0 HB2 ASP A 37 -14.070 -18.616 15.651 1.00 15.12 H new ATOM 0 HB3 ASP A 37 -14.461 -17.446 14.406 1.00 15.12 H new ATOM 366 N SER A 38 -12.917 -17.569 11.825 1.00 0.41 N ATOM 367 CA SER A 38 -13.019 -17.157 10.463 1.00 62.43 C ATOM 368 C SER A 38 -11.607 -16.872 9.943 1.00 54.13 C ATOM 369 O SER A 38 -11.041 -15.805 10.196 1.00 20.12 O ATOM 370 CB SER A 38 -13.926 -15.922 10.392 1.00 13.32 C ATOM 371 OG SER A 38 -13.579 -14.981 11.412 1.00 54.30 O ATOM 0 H SER A 38 -12.501 -16.859 12.427 1.00 0.41 H new ATOM 0 HA SER A 38 -13.462 -17.931 9.836 1.00 62.43 H new ATOM 0 HB2 SER A 38 -13.835 -15.454 9.412 1.00 13.32 H new ATOM 0 HB3 SER A 38 -14.968 -16.222 10.506 1.00 13.32 H new ATOM 0 HG SER A 38 -12.725 -15.239 11.818 1.00 54.30 H new ATOM 377 N VAL A 39 -11.029 -17.853 9.282 1.00 10.41 N ATOM 378 CA VAL A 39 -9.653 -17.787 8.834 1.00 15.05 C ATOM 379 C VAL A 39 -9.419 -16.740 7.777 1.00 61.43 C ATOM 380 O VAL A 39 -8.546 -15.891 7.926 1.00 4.04 O ATOM 381 CB VAL A 39 -9.127 -19.172 8.362 1.00 72.15 C ATOM 382 CG1 VAL A 39 -7.703 -19.076 7.807 1.00 74.34 C ATOM 383 CG2 VAL A 39 -9.171 -20.175 9.507 1.00 72.41 C ATOM 0 H VAL A 39 -11.503 -18.723 9.039 1.00 10.41 H new ATOM 0 HA VAL A 39 -9.079 -17.484 9.710 1.00 15.05 H new ATOM 0 HB VAL A 39 -9.779 -19.514 7.558 1.00 72.15 H new ATOM 0 HG11 VAL A 39 -7.370 -20.063 7.487 1.00 74.34 H new ATOM 0 HG12 VAL A 39 -7.689 -18.395 6.956 1.00 74.34 H new ATOM 0 HG13 VAL A 39 -7.035 -18.701 8.582 1.00 74.34 H new ATOM 0 HG21 VAL A 39 -8.800 -21.139 9.160 1.00 72.41 H new ATOM 0 HG22 VAL A 39 -8.547 -19.819 10.327 1.00 72.41 H new ATOM 0 HG23 VAL A 39 -10.198 -20.285 9.855 1.00 72.41 H new ATOM 393 N ASN A 40 -10.217 -16.741 6.765 1.00 70.12 N ATOM 394 CA ASN A 40 -9.941 -15.894 5.648 1.00 61.44 C ATOM 395 C ASN A 40 -10.584 -14.516 5.801 1.00 2.15 C ATOM 396 O ASN A 40 -11.647 -14.198 5.244 1.00 31.21 O ATOM 397 CB ASN A 40 -10.273 -16.617 4.363 1.00 63.23 C ATOM 398 CG ASN A 40 -9.794 -15.919 3.105 1.00 0.13 C ATOM 399 OD1 ASN A 40 -10.524 -15.171 2.483 1.00 3.05 O ATOM 400 ND2 ASN A 40 -8.567 -16.161 2.727 1.00 50.32 N ATOM 0 H ASN A 40 -11.059 -17.311 6.684 1.00 70.12 H new ATOM 0 HA ASN A 40 -8.874 -15.677 5.607 1.00 61.44 H new ATOM 0 HB2 ASN A 40 -9.835 -17.614 4.399 1.00 63.23 H new ATOM 0 HB3 ASN A 40 -11.354 -16.746 4.302 1.00 63.23 H new ATOM 0 HD21 ASN A 40 -8.195 -15.717 1.887 1.00 50.32 H new ATOM 0 HD22 ASN A 40 -7.981 -16.794 3.272 1.00 50.32 H new ATOM 407 N SER A 41 -9.888 -13.706 6.571 1.00 24.45 N ATOM 408 CA SER A 41 -10.290 -12.376 6.977 1.00 14.22 C ATOM 409 C SER A 41 -10.311 -11.449 5.756 1.00 2.14 C ATOM 410 O SER A 41 -11.095 -10.474 5.656 1.00 23.24 O ATOM 411 CB SER A 41 -9.266 -11.895 7.998 1.00 54.14 C ATOM 412 OG SER A 41 -9.096 -12.862 9.043 1.00 64.43 O ATOM 0 H SER A 41 -8.979 -13.972 6.950 1.00 24.45 H new ATOM 0 HA SER A 41 -11.290 -12.378 7.412 1.00 14.22 H new ATOM 0 HB2 SER A 41 -8.311 -11.714 7.505 1.00 54.14 H new ATOM 0 HB3 SER A 41 -9.589 -10.945 8.424 1.00 54.14 H new ATOM 0 HG SER A 41 -8.434 -12.535 9.687 1.00 64.43 H new ATOM 418 N GLU A 42 -9.491 -11.793 4.809 1.00 51.41 N ATOM 419 CA GLU A 42 -9.393 -11.079 3.586 1.00 43.43 C ATOM 420 C GLU A 42 -10.636 -11.223 2.724 1.00 13.32 C ATOM 421 O GLU A 42 -10.894 -10.390 1.852 1.00 54.50 O ATOM 422 CB GLU A 42 -8.088 -11.362 2.840 1.00 44.23 C ATOM 423 CG GLU A 42 -7.602 -12.810 2.810 1.00 30.20 C ATOM 424 CD GLU A 42 -6.983 -13.255 4.131 1.00 24.32 C ATOM 425 OE1 GLU A 42 -5.821 -12.938 4.395 1.00 71.11 O ATOM 426 OE2 GLU A 42 -7.674 -13.929 4.911 1.00 35.53 O ATOM 0 H GLU A 42 -8.862 -12.594 4.873 1.00 51.41 H new ATOM 0 HA GLU A 42 -9.347 -10.022 3.847 1.00 43.43 H new ATOM 0 HB2 GLU A 42 -8.207 -11.024 1.811 1.00 44.23 H new ATOM 0 HB3 GLU A 42 -7.304 -10.751 3.287 1.00 44.23 H new ATOM 0 HG2 GLU A 42 -8.440 -13.464 2.568 1.00 30.20 H new ATOM 0 HG3 GLU A 42 -6.867 -12.925 2.013 1.00 30.20 H new ATOM 433 N HIS A 43 -11.421 -12.257 2.977 1.00 25.51 N ATOM 434 CA HIS A 43 -12.693 -12.413 2.264 1.00 4.42 C ATOM 435 C HIS A 43 -13.651 -11.338 2.760 1.00 2.03 C ATOM 436 O HIS A 43 -14.386 -10.720 1.979 1.00 31.10 O ATOM 437 CB HIS A 43 -13.306 -13.810 2.476 1.00 3.52 C ATOM 438 CG HIS A 43 -14.495 -14.122 1.583 1.00 25.02 C ATOM 439 ND1 HIS A 43 -14.434 -14.952 0.482 1.00 42.44 N ATOM 440 CD2 HIS A 43 -15.784 -13.706 1.658 1.00 72.14 C ATOM 441 CE1 HIS A 43 -15.649 -15.010 -0.066 1.00 31.35 C ATOM 442 NE2 HIS A 43 -16.513 -14.270 0.611 1.00 10.31 N ATOM 0 H HIS A 43 -11.213 -12.991 3.655 1.00 25.51 H new ATOM 0 HA HIS A 43 -12.513 -12.306 1.194 1.00 4.42 H new ATOM 0 HB2 HIS A 43 -12.534 -14.561 2.306 1.00 3.52 H new ATOM 0 HB3 HIS A 43 -13.616 -13.902 3.517 1.00 3.52 H new ATOM 0 HD2 HIS A 43 -16.183 -13.042 2.410 1.00 72.14 H new ATOM 0 HE1 HIS A 43 -15.895 -15.585 -0.946 1.00 31.35 H new ATOM 0 HE2 HIS A 43 -17.504 -14.140 0.409 1.00 10.31 H new ATOM 450 N GLU A 44 -13.590 -11.073 4.060 1.00 22.21 N ATOM 451 CA GLU A 44 -14.399 -10.073 4.681 1.00 24.24 C ATOM 452 C GLU A 44 -13.973 -8.726 4.159 1.00 21.42 C ATOM 453 O GLU A 44 -14.799 -7.845 3.933 1.00 44.22 O ATOM 454 CB GLU A 44 -14.194 -10.144 6.171 1.00 54.23 C ATOM 455 CG GLU A 44 -14.496 -11.505 6.749 1.00 33.30 C ATOM 456 CD GLU A 44 -15.952 -11.858 6.648 1.00 75.33 C ATOM 457 OE1 GLU A 44 -16.309 -12.779 5.896 1.00 51.13 O ATOM 458 OE2 GLU A 44 -16.774 -11.214 7.317 1.00 24.13 O ATOM 0 H GLU A 44 -12.967 -11.560 4.704 1.00 22.21 H new ATOM 0 HA GLU A 44 -15.454 -10.231 4.458 1.00 24.24 H new ATOM 0 HB2 GLU A 44 -13.162 -9.879 6.402 1.00 54.23 H new ATOM 0 HB3 GLU A 44 -14.830 -9.402 6.654 1.00 54.23 H new ATOM 0 HG2 GLU A 44 -13.905 -12.258 6.227 1.00 33.30 H new ATOM 0 HG3 GLU A 44 -14.191 -11.529 7.795 1.00 33.30 H new ATOM 465 N LEU A 45 -12.668 -8.579 3.939 1.00 74.02 N ATOM 466 CA LEU A 45 -12.147 -7.376 3.361 1.00 3.32 C ATOM 467 C LEU A 45 -12.676 -7.185 1.947 1.00 41.02 C ATOM 468 O LEU A 45 -13.082 -6.089 1.584 1.00 45.11 O ATOM 469 CB LEU A 45 -10.624 -7.362 3.369 1.00 4.35 C ATOM 470 CG LEU A 45 -10.005 -6.097 2.798 1.00 74.21 C ATOM 471 CD1 LEU A 45 -10.426 -4.885 3.595 1.00 4.42 C ATOM 472 CD2 LEU A 45 -8.500 -6.205 2.707 1.00 74.45 C ATOM 0 H LEU A 45 -11.966 -9.286 4.157 1.00 74.02 H new ATOM 0 HA LEU A 45 -12.488 -6.543 3.976 1.00 3.32 H new ATOM 0 HB2 LEU A 45 -10.277 -7.491 4.394 1.00 4.35 H new ATOM 0 HB3 LEU A 45 -10.262 -8.218 2.800 1.00 4.35 H new ATOM 0 HG LEU A 45 -10.378 -5.975 1.781 1.00 74.21 H new ATOM 0 HD11 LEU A 45 -9.970 -3.992 3.167 1.00 4.42 H new ATOM 0 HD12 LEU A 45 -11.511 -4.789 3.565 1.00 4.42 H new ATOM 0 HD13 LEU A 45 -10.101 -4.999 4.629 1.00 4.42 H new ATOM 0 HD21 LEU A 45 -8.093 -5.282 2.294 1.00 74.45 H new ATOM 0 HD22 LEU A 45 -8.086 -6.371 3.702 1.00 74.45 H new ATOM 0 HD23 LEU A 45 -8.234 -7.040 2.059 1.00 74.45 H new ATOM 484 N ALA A 46 -12.700 -8.258 1.171 1.00 62.24 N ATOM 485 CA ALA A 46 -13.220 -8.213 -0.192 1.00 11.44 C ATOM 486 C ALA A 46 -14.690 -7.790 -0.190 1.00 24.15 C ATOM 487 O ALA A 46 -15.137 -7.030 -1.046 1.00 13.13 O ATOM 488 CB ALA A 46 -13.037 -9.555 -0.889 1.00 25.42 C ATOM 0 H ALA A 46 -12.364 -9.176 1.462 1.00 62.24 H new ATOM 0 HA ALA A 46 -12.653 -7.469 -0.751 1.00 11.44 H new ATOM 0 HB1 ALA A 46 -13.432 -9.495 -1.903 1.00 25.42 H new ATOM 0 HB2 ALA A 46 -11.976 -9.803 -0.927 1.00 25.42 H new ATOM 0 HB3 ALA A 46 -13.571 -10.328 -0.336 1.00 25.42 H new ATOM 494 N HIS A 47 -15.406 -8.250 0.804 1.00 63.41 N ATOM 495 CA HIS A 47 -16.819 -7.911 0.990 1.00 12.01 C ATOM 496 C HIS A 47 -16.950 -6.432 1.364 1.00 55.40 C ATOM 497 O HIS A 47 -17.832 -5.728 0.870 1.00 24.21 O ATOM 498 CB HIS A 47 -17.438 -8.829 2.083 1.00 63.14 C ATOM 499 CG HIS A 47 -18.905 -8.605 2.402 1.00 41.44 C ATOM 500 ND1 HIS A 47 -19.923 -9.413 1.946 1.00 44.02 N ATOM 501 CD2 HIS A 47 -19.501 -7.671 3.192 1.00 32.43 C ATOM 502 CE1 HIS A 47 -21.075 -8.963 2.451 1.00 31.40 C ATOM 503 NE2 HIS A 47 -20.876 -7.900 3.220 1.00 34.31 N ATOM 0 H HIS A 47 -15.035 -8.875 1.519 1.00 63.41 H new ATOM 0 HA HIS A 47 -17.364 -8.075 0.061 1.00 12.01 H new ATOM 0 HB2 HIS A 47 -17.311 -9.865 1.771 1.00 63.14 H new ATOM 0 HB3 HIS A 47 -16.865 -8.700 3.001 1.00 63.14 H new ATOM 0 HD2 HIS A 47 -18.989 -6.877 3.715 1.00 32.43 H new ATOM 0 HE1 HIS A 47 -22.041 -9.406 2.259 1.00 31.40 H new ATOM 0 HE2 HIS A 47 -21.581 -7.363 3.725 1.00 34.31 H new ATOM 511 N PHE A 48 -16.035 -5.971 2.181 1.00 73.02 N ATOM 512 CA PHE A 48 -16.018 -4.621 2.678 1.00 73.31 C ATOM 513 C PHE A 48 -15.686 -3.631 1.566 1.00 45.01 C ATOM 514 O PHE A 48 -16.291 -2.573 1.461 1.00 33.15 O ATOM 515 CB PHE A 48 -14.984 -4.548 3.799 1.00 22.24 C ATOM 516 CG PHE A 48 -14.755 -3.196 4.378 1.00 12.41 C ATOM 517 CD1 PHE A 48 -13.717 -2.411 3.914 1.00 12.31 C ATOM 518 CD2 PHE A 48 -15.563 -2.716 5.382 1.00 63.11 C ATOM 519 CE1 PHE A 48 -13.487 -1.166 4.442 1.00 10.13 C ATOM 520 CE2 PHE A 48 -15.343 -1.468 5.918 1.00 24.21 C ATOM 521 CZ PHE A 48 -14.302 -0.692 5.445 1.00 24.31 C ATOM 0 H PHE A 48 -15.263 -6.541 2.526 1.00 73.02 H new ATOM 0 HA PHE A 48 -17.004 -4.351 3.058 1.00 73.31 H new ATOM 0 HB2 PHE A 48 -15.296 -5.218 4.600 1.00 22.24 H new ATOM 0 HB3 PHE A 48 -14.035 -4.926 3.418 1.00 22.24 H new ATOM 0 HD1 PHE A 48 -13.079 -2.782 3.126 1.00 12.31 H new ATOM 0 HD2 PHE A 48 -16.376 -3.323 5.752 1.00 63.11 H new ATOM 0 HE1 PHE A 48 -12.672 -0.561 4.073 1.00 10.13 H new ATOM 0 HE2 PHE A 48 -15.982 -1.096 6.706 1.00 24.21 H new ATOM 0 HZ PHE A 48 -14.127 0.288 5.863 1.00 24.31 H new ATOM 531 N LEU A 49 -14.742 -3.997 0.733 1.00 61.41 N ATOM 532 CA LEU A 49 -14.283 -3.124 -0.323 1.00 11.31 C ATOM 533 C LEU A 49 -15.223 -3.126 -1.517 1.00 21.12 C ATOM 534 O LEU A 49 -15.028 -2.360 -2.427 1.00 41.34 O ATOM 535 CB LEU A 49 -12.838 -3.478 -0.738 1.00 12.53 C ATOM 536 CG LEU A 49 -12.615 -4.854 -1.384 1.00 33.54 C ATOM 537 CD1 LEU A 49 -12.974 -4.867 -2.867 1.00 60.11 C ATOM 538 CD2 LEU A 49 -11.206 -5.330 -1.158 1.00 14.33 C ATOM 0 H LEU A 49 -14.272 -4.902 0.766 1.00 61.41 H new ATOM 0 HA LEU A 49 -14.282 -2.108 0.071 1.00 11.31 H new ATOM 0 HB2 LEU A 49 -12.490 -2.716 -1.435 1.00 12.53 H new ATOM 0 HB3 LEU A 49 -12.206 -3.413 0.147 1.00 12.53 H new ATOM 0 HG LEU A 49 -13.295 -5.551 -0.894 1.00 33.54 H new ATOM 0 HD11 LEU A 49 -12.798 -5.862 -3.275 1.00 60.11 H new ATOM 0 HD12 LEU A 49 -14.025 -4.605 -2.989 1.00 60.11 H new ATOM 0 HD13 LEU A 49 -12.356 -4.143 -3.397 1.00 60.11 H new ATOM 0 HD21 LEU A 49 -11.072 -6.306 -1.625 1.00 14.33 H new ATOM 0 HD22 LEU A 49 -10.507 -4.619 -1.598 1.00 14.33 H new ATOM 0 HD23 LEU A 49 -11.016 -5.410 -0.088 1.00 14.33 H new ATOM 550 N GLY A 50 -16.216 -4.016 -1.517 1.00 54.43 N ATOM 551 CA GLY A 50 -17.193 -4.072 -2.621 1.00 72.22 C ATOM 552 C GLY A 50 -17.778 -2.690 -2.971 1.00 24.31 C ATOM 553 O GLY A 50 -17.597 -2.199 -4.089 1.00 30.52 O ATOM 0 H GLY A 50 -16.370 -4.702 -0.778 1.00 54.43 H new ATOM 0 HA2 GLY A 50 -16.712 -4.492 -3.504 1.00 72.22 H new ATOM 0 HA3 GLY A 50 -18.005 -4.747 -2.348 1.00 72.22 H new ATOM 557 N PRO A 51 -18.472 -2.031 -2.033 1.00 24.33 N ATOM 558 CA PRO A 51 -18.988 -0.670 -2.225 1.00 72.14 C ATOM 559 C PRO A 51 -17.888 0.399 -2.101 1.00 31.44 C ATOM 560 O PRO A 51 -18.138 1.588 -2.295 1.00 24.41 O ATOM 561 CB PRO A 51 -19.995 -0.496 -1.079 1.00 61.40 C ATOM 562 CG PRO A 51 -20.181 -1.852 -0.498 1.00 52.45 C ATOM 563 CD PRO A 51 -18.893 -2.566 -0.729 1.00 13.44 C ATOM 0 HA PRO A 51 -19.415 -0.546 -3.220 1.00 72.14 H new ATOM 0 HB2 PRO A 51 -19.620 0.202 -0.331 1.00 61.40 H new ATOM 0 HB3 PRO A 51 -20.940 -0.094 -1.445 1.00 61.40 H new ATOM 0 HG2 PRO A 51 -20.412 -1.795 0.566 1.00 52.45 H new ATOM 0 HG3 PRO A 51 -21.010 -2.373 -0.977 1.00 52.45 H new ATOM 0 HD2 PRO A 51 -18.164 -2.354 0.053 1.00 13.44 H new ATOM 0 HD3 PRO A 51 -19.026 -3.648 -0.756 1.00 13.44 H new ATOM 571 N HIS A 52 -16.687 -0.011 -1.750 1.00 22.04 N ATOM 572 CA HIS A 52 -15.630 0.941 -1.464 1.00 10.43 C ATOM 573 C HIS A 52 -14.428 0.694 -2.363 1.00 13.22 C ATOM 574 O HIS A 52 -13.304 1.001 -1.990 1.00 4.41 O ATOM 575 CB HIS A 52 -15.229 0.866 0.028 1.00 50.23 C ATOM 576 CG HIS A 52 -16.355 1.155 1.002 1.00 4.35 C ATOM 577 ND1 HIS A 52 -16.615 2.397 1.546 1.00 30.13 N ATOM 578 CD2 HIS A 52 -17.298 0.327 1.519 1.00 44.11 C ATOM 579 CE1 HIS A 52 -17.677 2.286 2.350 1.00 32.25 C ATOM 580 NE2 HIS A 52 -18.133 1.045 2.367 1.00 74.03 N ATOM 0 H HIS A 52 -16.418 -0.990 -1.656 1.00 22.04 H new ATOM 0 HA HIS A 52 -16.002 1.945 -1.668 1.00 10.43 H new ATOM 0 HB2 HIS A 52 -14.835 -0.129 0.235 1.00 50.23 H new ATOM 0 HB3 HIS A 52 -14.420 1.574 0.209 1.00 50.23 H new ATOM 0 HD1 HIS A 52 -16.088 3.251 1.366 1.00 30.13 H new ATOM 0 HD2 HIS A 52 -17.386 -0.728 1.304 1.00 44.11 H new ATOM 0 HE1 HIS A 52 -18.106 3.102 2.912 1.00 32.25 H new ATOM 588 N ASP A 53 -14.716 0.182 -3.561 1.00 25.41 N ATOM 589 CA ASP A 53 -13.725 -0.163 -4.600 1.00 72.15 C ATOM 590 C ASP A 53 -12.818 1.016 -4.990 1.00 70.12 C ATOM 591 O ASP A 53 -13.259 1.976 -5.636 1.00 43.43 O ATOM 592 CB ASP A 53 -14.472 -0.712 -5.830 1.00 62.12 C ATOM 593 CG ASP A 53 -13.643 -0.780 -7.096 1.00 1.43 C ATOM 594 OD1 ASP A 53 -12.601 -1.436 -7.121 1.00 10.14 O ATOM 595 OD2 ASP A 53 -14.077 -0.194 -8.119 1.00 52.04 O ATOM 0 H ASP A 53 -15.674 -0.013 -3.851 1.00 25.41 H new ATOM 0 HA ASP A 53 -13.058 -0.921 -4.189 1.00 72.15 H new ATOM 0 HB2 ASP A 53 -14.840 -1.712 -5.599 1.00 62.12 H new ATOM 0 HB3 ASP A 53 -15.345 -0.087 -6.017 1.00 62.12 H new ATOM 600 N PRO A 54 -11.542 0.975 -4.556 1.00 50.21 N ATOM 601 CA PRO A 54 -10.568 2.004 -4.824 1.00 11.23 C ATOM 602 C PRO A 54 -9.505 1.568 -5.858 1.00 2.41 C ATOM 603 O PRO A 54 -9.661 0.564 -6.559 1.00 0.11 O ATOM 604 CB PRO A 54 -9.922 2.117 -3.450 1.00 32.31 C ATOM 605 CG PRO A 54 -9.873 0.697 -2.944 1.00 2.33 C ATOM 606 CD PRO A 54 -10.947 -0.070 -3.699 1.00 14.43 C ATOM 0 HA PRO A 54 -11.000 2.915 -5.239 1.00 11.23 H new ATOM 0 HB2 PRO A 54 -8.924 2.551 -3.514 1.00 32.31 H new ATOM 0 HB3 PRO A 54 -10.506 2.756 -2.787 1.00 32.31 H new ATOM 0 HG2 PRO A 54 -8.890 0.258 -3.116 1.00 2.33 H new ATOM 0 HG3 PRO A 54 -10.054 0.662 -1.870 1.00 2.33 H new ATOM 0 HD2 PRO A 54 -10.526 -0.886 -4.287 1.00 14.43 H new ATOM 0 HD3 PRO A 54 -11.682 -0.509 -3.025 1.00 14.43 H new ATOM 614 N GLU A 55 -8.434 2.326 -5.940 1.00 60.11 N ATOM 615 CA GLU A 55 -7.320 1.977 -6.786 1.00 14.43 C ATOM 616 C GLU A 55 -6.392 1.098 -5.996 1.00 61.43 C ATOM 617 O GLU A 55 -5.849 1.521 -4.976 1.00 32.34 O ATOM 618 CB GLU A 55 -6.600 3.228 -7.261 1.00 42.33 C ATOM 619 CG GLU A 55 -7.453 4.104 -8.142 1.00 65.24 C ATOM 620 CD GLU A 55 -6.757 5.364 -8.564 1.00 44.44 C ATOM 621 OE1 GLU A 55 -6.911 6.397 -7.885 1.00 72.51 O ATOM 622 OE2 GLU A 55 -6.034 5.344 -9.578 1.00 24.52 O ATOM 0 H GLU A 55 -8.313 3.197 -5.424 1.00 60.11 H new ATOM 0 HA GLU A 55 -7.672 1.446 -7.670 1.00 14.43 H new ATOM 0 HB2 GLU A 55 -6.274 3.803 -6.394 1.00 42.33 H new ATOM 0 HB3 GLU A 55 -5.703 2.938 -7.807 1.00 42.33 H new ATOM 0 HG2 GLU A 55 -7.746 3.542 -9.029 1.00 65.24 H new ATOM 0 HG3 GLU A 55 -8.369 4.362 -7.611 1.00 65.24 H new ATOM 629 N ILE A 56 -6.247 -0.113 -6.418 1.00 43.42 N ATOM 630 CA ILE A 56 -5.446 -1.060 -5.700 1.00 24.33 C ATOM 631 C ILE A 56 -4.109 -1.177 -6.394 1.00 10.45 C ATOM 632 O ILE A 56 -4.036 -1.681 -7.445 1.00 64.41 O ATOM 633 CB ILE A 56 -6.140 -2.442 -5.694 1.00 32.45 C ATOM 634 CG1 ILE A 56 -7.573 -2.313 -5.137 1.00 3.43 C ATOM 635 CG2 ILE A 56 -5.321 -3.408 -4.856 1.00 52.11 C ATOM 636 CD1 ILE A 56 -8.467 -3.514 -5.389 1.00 72.22 C ATOM 0 H ILE A 56 -6.677 -0.479 -7.268 1.00 43.42 H new ATOM 0 HA ILE A 56 -5.314 -0.726 -4.671 1.00 24.33 H new ATOM 0 HB ILE A 56 -6.206 -2.824 -6.713 1.00 32.45 H new ATOM 0 HG12 ILE A 56 -7.515 -2.140 -4.062 1.00 3.43 H new ATOM 0 HG13 ILE A 56 -8.040 -1.432 -5.577 1.00 3.43 H new ATOM 0 HG21 ILE A 56 -5.806 -4.384 -4.848 1.00 52.11 H new ATOM 0 HG22 ILE A 56 -4.322 -3.502 -5.282 1.00 52.11 H new ATOM 0 HG23 ILE A 56 -5.247 -3.032 -3.836 1.00 52.11 H new ATOM 0 HD11 ILE A 56 -9.453 -3.330 -4.961 1.00 72.22 H new ATOM 0 HD12 ILE A 56 -8.562 -3.678 -6.462 1.00 72.22 H new ATOM 0 HD13 ILE A 56 -8.029 -4.397 -4.924 1.00 72.22 H new ATOM 648 N TYR A 57 -3.085 -0.684 -5.823 1.00 54.01 N ATOM 649 CA TYR A 57 -1.795 -0.740 -6.445 1.00 31.43 C ATOM 650 C TYR A 57 -1.079 -1.949 -5.965 1.00 13.35 C ATOM 651 O TYR A 57 -1.130 -2.256 -4.815 1.00 50.15 O ATOM 652 CB TYR A 57 -0.985 0.519 -6.137 1.00 5.05 C ATOM 653 CG TYR A 57 -1.576 1.780 -6.719 1.00 73.34 C ATOM 654 CD1 TYR A 57 -2.555 2.494 -6.037 1.00 44.31 C ATOM 655 CD2 TYR A 57 -1.158 2.256 -7.953 1.00 64.24 C ATOM 656 CE1 TYR A 57 -3.097 3.644 -6.566 1.00 73.13 C ATOM 657 CE2 TYR A 57 -1.702 3.412 -8.489 1.00 14.44 C ATOM 658 CZ TYR A 57 -2.671 4.100 -7.785 1.00 13.24 C ATOM 659 OH TYR A 57 -3.218 5.253 -8.306 1.00 23.22 O ATOM 0 H TYR A 57 -3.100 -0.227 -4.911 1.00 54.01 H new ATOM 0 HA TYR A 57 -1.921 -0.795 -7.526 1.00 31.43 H new ATOM 0 HB2 TYR A 57 -0.904 0.632 -5.056 1.00 5.05 H new ATOM 0 HB3 TYR A 57 0.027 0.392 -6.521 1.00 5.05 H new ATOM 0 HD1 TYR A 57 -2.896 2.140 -5.075 1.00 44.31 H new ATOM 0 HD2 TYR A 57 -0.399 1.719 -8.503 1.00 64.24 H new ATOM 0 HE1 TYR A 57 -3.856 4.185 -6.021 1.00 73.13 H new ATOM 0 HE2 TYR A 57 -1.370 3.773 -9.451 1.00 14.44 H new ATOM 0 HH TYR A 57 -4.106 5.058 -8.672 1.00 23.22 H new ATOM 669 N VAL A 58 -0.459 -2.650 -6.847 1.00 24.03 N ATOM 670 CA VAL A 58 0.317 -3.812 -6.494 1.00 62.53 C ATOM 671 C VAL A 58 1.628 -3.725 -7.208 1.00 2.15 C ATOM 672 O VAL A 58 1.665 -3.638 -8.429 1.00 23.13 O ATOM 673 CB VAL A 58 -0.406 -5.149 -6.827 1.00 33.12 C ATOM 674 CG1 VAL A 58 0.533 -6.346 -6.686 1.00 71.13 C ATOM 675 CG2 VAL A 58 -1.595 -5.356 -5.914 1.00 21.53 C ATOM 0 H VAL A 58 -0.469 -2.441 -7.845 1.00 24.03 H new ATOM 0 HA VAL A 58 0.463 -3.818 -5.414 1.00 62.53 H new ATOM 0 HB VAL A 58 -0.740 -5.080 -7.862 1.00 33.12 H new ATOM 0 HG11 VAL A 58 -0.007 -7.262 -6.926 1.00 71.13 H new ATOM 0 HG12 VAL A 58 1.375 -6.231 -7.369 1.00 71.13 H new ATOM 0 HG13 VAL A 58 0.902 -6.400 -5.662 1.00 71.13 H new ATOM 0 HG21 VAL A 58 -2.086 -6.296 -6.164 1.00 21.53 H new ATOM 0 HG22 VAL A 58 -1.257 -5.387 -4.878 1.00 21.53 H new ATOM 0 HG23 VAL A 58 -2.299 -4.534 -6.042 1.00 21.53 H new ATOM 685 N ASN A 59 2.684 -3.633 -6.421 1.00 41.43 N ATOM 686 CA ASN A 59 4.084 -3.520 -6.885 1.00 10.24 C ATOM 687 C ASN A 59 4.287 -2.245 -7.702 1.00 25.11 C ATOM 688 O ASN A 59 5.260 -2.101 -8.455 1.00 1.13 O ATOM 689 CB ASN A 59 4.515 -4.752 -7.696 1.00 5.01 C ATOM 690 CG ASN A 59 4.451 -6.049 -6.910 1.00 11.11 C ATOM 691 OD1 ASN A 59 4.602 -6.072 -5.675 1.00 1.35 O ATOM 692 ND2 ASN A 59 4.231 -7.132 -7.602 1.00 61.54 N ATOM 0 H ASN A 59 2.605 -3.634 -5.404 1.00 41.43 H new ATOM 0 HA ASN A 59 4.715 -3.468 -5.998 1.00 10.24 H new ATOM 0 HB2 ASN A 59 3.878 -4.838 -8.576 1.00 5.01 H new ATOM 0 HB3 ASN A 59 5.534 -4.603 -8.053 1.00 5.01 H new ATOM 0 HD21 ASN A 59 4.178 -8.036 -7.132 1.00 61.54 H new ATOM 0 HD22 ASN A 59 4.112 -7.076 -8.613 1.00 61.54 H new ATOM 699 N GLY A 60 3.383 -1.300 -7.507 1.00 52.52 N ATOM 700 CA GLY A 60 3.447 -0.044 -8.206 1.00 75.23 C ATOM 701 C GLY A 60 2.583 -0.020 -9.454 1.00 52.25 C ATOM 702 O GLY A 60 2.594 0.959 -10.201 1.00 4.10 O ATOM 0 H GLY A 60 2.595 -1.387 -6.865 1.00 52.52 H new ATOM 0 HA2 GLY A 60 3.132 0.756 -7.536 1.00 75.23 H new ATOM 0 HA3 GLY A 60 4.481 0.161 -8.482 1.00 75.23 H new ATOM 706 N LYS A 61 1.830 -1.084 -9.679 1.00 23.45 N ATOM 707 CA LYS A 61 0.953 -1.183 -10.817 1.00 71.34 C ATOM 708 C LYS A 61 -0.457 -1.046 -10.331 1.00 71.11 C ATOM 709 O LYS A 61 -0.815 -1.644 -9.321 1.00 35.22 O ATOM 710 CB LYS A 61 1.111 -2.531 -11.536 1.00 43.33 C ATOM 711 CG LYS A 61 2.503 -2.840 -12.069 1.00 20.24 C ATOM 712 CD LYS A 61 2.955 -1.828 -13.104 1.00 64.20 C ATOM 713 CE LYS A 61 4.284 -2.233 -13.719 1.00 12.31 C ATOM 714 NZ LYS A 61 4.785 -1.224 -14.670 1.00 42.14 N ATOM 0 H LYS A 61 1.815 -1.903 -9.071 1.00 23.45 H new ATOM 0 HA LYS A 61 1.205 -0.395 -11.527 1.00 71.34 H new ATOM 0 HB2 LYS A 61 0.822 -3.325 -10.847 1.00 43.33 H new ATOM 0 HB3 LYS A 61 0.409 -2.561 -12.369 1.00 43.33 H new ATOM 0 HG2 LYS A 61 3.213 -2.854 -11.242 1.00 20.24 H new ATOM 0 HG3 LYS A 61 2.509 -3.837 -12.510 1.00 20.24 H new ATOM 0 HD2 LYS A 61 2.200 -1.740 -13.886 1.00 64.20 H new ATOM 0 HD3 LYS A 61 3.049 -0.846 -12.640 1.00 64.20 H new ATOM 0 HE2 LYS A 61 5.019 -2.381 -12.928 1.00 12.31 H new ATOM 0 HE3 LYS A 61 4.170 -3.188 -14.231 1.00 12.31 H new ATOM 0 HZ1 LYS A 61 5.693 -1.541 -15.066 1.00 42.14 H new ATOM 0 HZ2 LYS A 61 4.096 -1.100 -15.440 1.00 42.14 H new ATOM 0 HZ3 LYS A 61 4.919 -0.318 -14.177 1.00 42.14 H new ATOM 728 N ILE A 62 -1.236 -0.263 -11.008 1.00 11.22 N ATOM 729 CA ILE A 62 -2.593 -0.039 -10.608 1.00 40.01 C ATOM 730 C ILE A 62 -3.453 -1.265 -11.009 1.00 1.32 C ATOM 731 O ILE A 62 -3.379 -1.766 -12.139 1.00 52.42 O ATOM 732 CB ILE A 62 -3.124 1.331 -11.201 1.00 75.44 C ATOM 733 CG1 ILE A 62 -4.268 1.952 -10.356 1.00 41.33 C ATOM 734 CG2 ILE A 62 -3.529 1.219 -12.667 1.00 62.25 C ATOM 735 CD1 ILE A 62 -5.568 1.202 -10.327 1.00 21.24 C ATOM 0 H ILE A 62 -0.953 0.238 -11.850 1.00 11.22 H new ATOM 0 HA ILE A 62 -2.661 0.059 -9.525 1.00 40.01 H new ATOM 0 HB ILE A 62 -2.276 2.014 -11.147 1.00 75.44 H new ATOM 0 HG12 ILE A 62 -3.914 2.059 -9.331 1.00 41.33 H new ATOM 0 HG13 ILE A 62 -4.463 2.956 -10.733 1.00 41.33 H new ATOM 0 HG21 ILE A 62 -3.885 2.187 -13.021 1.00 62.25 H new ATOM 0 HG22 ILE A 62 -2.668 0.910 -13.260 1.00 62.25 H new ATOM 0 HG23 ILE A 62 -4.324 0.480 -12.769 1.00 62.25 H new ATOM 0 HD11 ILE A 62 -6.284 1.738 -9.704 1.00 21.24 H new ATOM 0 HD12 ILE A 62 -5.961 1.117 -11.340 1.00 21.24 H new ATOM 0 HD13 ILE A 62 -5.404 0.206 -9.916 1.00 21.24 H new ATOM 747 N GLN A 63 -4.167 -1.779 -10.058 1.00 31.11 N ATOM 748 CA GLN A 63 -5.035 -2.908 -10.225 1.00 73.41 C ATOM 749 C GLN A 63 -6.439 -2.484 -9.827 1.00 12.31 C ATOM 750 O GLN A 63 -6.621 -1.597 -8.959 1.00 13.32 O ATOM 751 CB GLN A 63 -4.631 -4.070 -9.289 1.00 0.20 C ATOM 752 CG GLN A 63 -3.163 -4.457 -9.284 1.00 65.43 C ATOM 753 CD GLN A 63 -2.621 -4.878 -10.626 1.00 32.00 C ATOM 754 OE1 GLN A 63 -3.342 -5.402 -11.487 1.00 24.12 O ATOM 755 NE2 GLN A 63 -1.342 -4.678 -10.801 1.00 32.23 N ATOM 0 H GLN A 63 -4.163 -1.412 -9.106 1.00 31.11 H new ATOM 0 HA GLN A 63 -4.975 -3.240 -11.262 1.00 73.41 H new ATOM 0 HB2 GLN A 63 -4.917 -3.804 -8.271 1.00 0.20 H new ATOM 0 HB3 GLN A 63 -5.214 -4.949 -9.564 1.00 0.20 H new ATOM 0 HG2 GLN A 63 -2.579 -3.612 -8.920 1.00 65.43 H new ATOM 0 HG3 GLN A 63 -3.018 -5.273 -8.576 1.00 65.43 H new ATOM 0 HE21 GLN A 63 -0.788 -4.243 -10.063 1.00 32.23 H new ATOM 0 HE22 GLN A 63 -0.897 -4.957 -11.675 1.00 32.23 H new ATOM 764 N THR A 64 -7.407 -3.086 -10.430 1.00 75.24 N ATOM 765 CA THR A 64 -8.766 -2.828 -10.088 1.00 12.15 C ATOM 766 C THR A 64 -9.244 -3.933 -9.124 1.00 24.43 C ATOM 767 O THR A 64 -8.484 -4.912 -8.865 1.00 14.14 O ATOM 768 CB THR A 64 -9.657 -2.744 -11.378 1.00 70.43 C ATOM 769 OG1 THR A 64 -11.014 -2.403 -11.058 1.00 50.25 O ATOM 770 CG2 THR A 64 -9.637 -4.052 -12.158 1.00 24.11 C ATOM 0 H THR A 64 -7.280 -3.771 -11.175 1.00 75.24 H new ATOM 0 HA THR A 64 -8.853 -1.863 -9.589 1.00 12.15 H new ATOM 0 HB THR A 64 -9.231 -1.956 -12.000 1.00 70.43 H new ATOM 0 HG1 THR A 64 -11.543 -2.357 -11.882 1.00 50.25 H new ATOM 0 HG21 THR A 64 -10.265 -3.957 -13.044 1.00 24.11 H new ATOM 0 HG22 THR A 64 -8.615 -4.280 -12.460 1.00 24.11 H new ATOM 0 HG23 THR A 64 -10.017 -4.857 -11.529 1.00 24.11 H new ATOM 778 N THR A 65 -10.468 -3.793 -8.593 1.00 64.13 N ATOM 779 CA THR A 65 -11.045 -4.764 -7.669 1.00 3.10 C ATOM 780 C THR A 65 -11.013 -6.173 -8.262 1.00 74.41 C ATOM 781 O THR A 65 -10.758 -7.133 -7.546 1.00 53.25 O ATOM 782 CB THR A 65 -12.508 -4.377 -7.232 1.00 11.44 C ATOM 783 OG1 THR A 65 -13.027 -5.321 -6.282 1.00 1.40 O ATOM 784 CG2 THR A 65 -13.456 -4.303 -8.425 1.00 31.31 C ATOM 0 H THR A 65 -11.080 -3.002 -8.796 1.00 64.13 H new ATOM 0 HA THR A 65 -10.426 -4.751 -6.772 1.00 3.10 H new ATOM 0 HB THR A 65 -12.446 -3.391 -6.772 1.00 11.44 H new ATOM 0 HG1 THR A 65 -13.936 -5.060 -6.024 1.00 1.40 H new ATOM 0 HG21 THR A 65 -14.454 -4.033 -8.080 1.00 31.31 H new ATOM 0 HG22 THR A 65 -13.099 -3.550 -9.127 1.00 31.31 H new ATOM 0 HG23 THR A 65 -13.493 -5.273 -8.921 1.00 31.31 H new ATOM 792 N THR A 66 -11.202 -6.267 -9.589 1.00 41.14 N ATOM 793 CA THR A 66 -11.195 -7.526 -10.291 1.00 15.30 C ATOM 794 C THR A 66 -9.858 -8.232 -10.084 1.00 61.53 C ATOM 795 O THR A 66 -9.823 -9.329 -9.570 1.00 62.52 O ATOM 796 CB THR A 66 -11.412 -7.294 -11.789 1.00 35.43 C ATOM 797 OG1 THR A 66 -12.517 -6.384 -11.969 1.00 63.53 O ATOM 798 CG2 THR A 66 -11.709 -8.611 -12.502 1.00 40.53 C ATOM 0 H THR A 66 -11.363 -5.460 -10.191 1.00 41.14 H new ATOM 0 HA THR A 66 -12.000 -8.147 -9.898 1.00 15.30 H new ATOM 0 HB THR A 66 -10.504 -6.869 -12.217 1.00 35.43 H new ATOM 0 HG1 THR A 66 -12.661 -6.229 -12.926 1.00 63.53 H new ATOM 0 HG21 THR A 66 -11.860 -8.423 -13.565 1.00 40.53 H new ATOM 0 HG22 THR A 66 -10.870 -9.294 -12.370 1.00 40.53 H new ATOM 0 HG23 THR A 66 -12.610 -9.058 -12.081 1.00 40.53 H new ATOM 806 N ALA A 67 -8.768 -7.546 -10.429 1.00 73.13 N ATOM 807 CA ALA A 67 -7.425 -8.094 -10.320 1.00 74.44 C ATOM 808 C ALA A 67 -7.115 -8.488 -8.896 1.00 71.13 C ATOM 809 O ALA A 67 -6.636 -9.593 -8.657 1.00 3.42 O ATOM 810 CB ALA A 67 -6.408 -7.105 -10.823 1.00 23.11 C ATOM 0 H ALA A 67 -8.797 -6.593 -10.792 1.00 73.13 H new ATOM 0 HA ALA A 67 -7.376 -8.990 -10.939 1.00 74.44 H new ATOM 0 HB1 ALA A 67 -5.409 -7.533 -10.734 1.00 23.11 H new ATOM 0 HB2 ALA A 67 -6.611 -6.874 -11.869 1.00 23.11 H new ATOM 0 HB3 ALA A 67 -6.466 -6.191 -10.232 1.00 23.11 H new ATOM 816 N PHE A 68 -7.400 -7.587 -7.949 1.00 44.22 N ATOM 817 CA PHE A 68 -7.213 -7.877 -6.521 1.00 21.24 C ATOM 818 C PHE A 68 -7.927 -9.163 -6.155 1.00 61.51 C ATOM 819 O PHE A 68 -7.320 -10.102 -5.637 1.00 53.35 O ATOM 820 CB PHE A 68 -7.768 -6.726 -5.678 1.00 51.34 C ATOM 821 CG PHE A 68 -7.803 -6.972 -4.176 1.00 3.32 C ATOM 822 CD1 PHE A 68 -6.755 -6.587 -3.365 1.00 74.35 C ATOM 823 CD2 PHE A 68 -8.900 -7.594 -3.587 1.00 1.44 C ATOM 824 CE1 PHE A 68 -6.794 -6.819 -2.002 1.00 23.12 C ATOM 825 CE2 PHE A 68 -8.944 -7.827 -2.237 1.00 32.41 C ATOM 826 CZ PHE A 68 -7.889 -7.441 -1.437 1.00 1.04 C ATOM 0 H PHE A 68 -7.760 -6.653 -8.144 1.00 44.22 H new ATOM 0 HA PHE A 68 -6.147 -7.989 -6.321 1.00 21.24 H new ATOM 0 HB2 PHE A 68 -7.168 -5.836 -5.869 1.00 51.34 H new ATOM 0 HB3 PHE A 68 -8.781 -6.506 -6.016 1.00 51.34 H new ATOM 0 HD1 PHE A 68 -5.895 -6.099 -3.799 1.00 74.35 H new ATOM 0 HD2 PHE A 68 -9.732 -7.899 -4.205 1.00 1.44 H new ATOM 0 HE1 PHE A 68 -5.967 -6.513 -1.379 1.00 23.12 H new ATOM 0 HE2 PHE A 68 -9.804 -8.312 -1.800 1.00 32.41 H new ATOM 0 HZ PHE A 68 -7.919 -7.625 -0.373 1.00 1.04 H new ATOM 836 N LEU A 69 -9.216 -9.174 -6.427 1.00 41.53 N ATOM 837 CA LEU A 69 -10.089 -10.328 -6.175 1.00 34.05 C ATOM 838 C LEU A 69 -9.501 -11.610 -6.804 1.00 41.52 C ATOM 839 O LEU A 69 -9.496 -12.666 -6.173 1.00 53.41 O ATOM 840 CB LEU A 69 -11.526 -10.021 -6.697 1.00 73.14 C ATOM 841 CG LEU A 69 -12.711 -10.918 -6.239 1.00 55.54 C ATOM 842 CD1 LEU A 69 -12.647 -12.329 -6.802 1.00 5.21 C ATOM 843 CD2 LEU A 69 -12.793 -10.952 -4.726 1.00 54.21 C ATOM 0 H LEU A 69 -9.704 -8.376 -6.835 1.00 41.53 H new ATOM 0 HA LEU A 69 -10.152 -10.507 -5.102 1.00 34.05 H new ATOM 0 HB2 LEU A 69 -11.764 -8.995 -6.416 1.00 73.14 H new ATOM 0 HB3 LEU A 69 -11.493 -10.054 -7.786 1.00 73.14 H new ATOM 0 HG LEU A 69 -13.617 -10.466 -6.642 1.00 55.54 H new ATOM 0 HD11 LEU A 69 -13.502 -12.903 -6.444 1.00 5.21 H new ATOM 0 HD12 LEU A 69 -12.668 -12.288 -7.891 1.00 5.21 H new ATOM 0 HD13 LEU A 69 -11.725 -12.810 -6.475 1.00 5.21 H new ATOM 0 HD21 LEU A 69 -13.627 -11.584 -4.421 1.00 54.21 H new ATOM 0 HD22 LEU A 69 -11.865 -11.355 -4.320 1.00 54.21 H new ATOM 0 HD23 LEU A 69 -12.946 -9.941 -4.347 1.00 54.21 H new ATOM 855 N GLN A 70 -8.999 -11.500 -8.013 1.00 21.13 N ATOM 856 CA GLN A 70 -8.375 -12.602 -8.703 1.00 72.02 C ATOM 857 C GLN A 70 -7.164 -13.124 -7.935 1.00 54.52 C ATOM 858 O GLN A 70 -7.062 -14.325 -7.667 1.00 73.23 O ATOM 859 CB GLN A 70 -7.981 -12.181 -10.110 1.00 23.21 C ATOM 860 CG GLN A 70 -9.165 -11.876 -11.006 1.00 30.44 C ATOM 861 CD GLN A 70 -10.039 -13.072 -11.283 1.00 13.21 C ATOM 862 OE1 GLN A 70 -10.974 -13.366 -10.540 1.00 34.51 O ATOM 863 NE2 GLN A 70 -9.766 -13.756 -12.351 1.00 44.02 N ATOM 0 H GLN A 70 -9.014 -10.633 -8.549 1.00 21.13 H new ATOM 0 HA GLN A 70 -9.097 -13.416 -8.769 1.00 72.02 H new ATOM 0 HB2 GLN A 70 -7.344 -11.299 -10.051 1.00 23.21 H new ATOM 0 HB3 GLN A 70 -7.387 -12.974 -10.564 1.00 23.21 H new ATOM 0 HG2 GLN A 70 -9.769 -11.096 -10.543 1.00 30.44 H new ATOM 0 HG3 GLN A 70 -8.800 -11.477 -11.952 1.00 30.44 H new ATOM 0 HE21 GLN A 70 -8.983 -13.484 -12.945 1.00 44.02 H new ATOM 0 HE22 GLN A 70 -10.335 -14.566 -12.597 1.00 44.02 H new ATOM 872 N PHE A 71 -6.285 -12.225 -7.517 1.00 62.41 N ATOM 873 CA PHE A 71 -5.091 -12.633 -6.791 1.00 4.32 C ATOM 874 C PHE A 71 -5.507 -13.215 -5.438 1.00 32.11 C ATOM 875 O PHE A 71 -4.947 -14.196 -4.962 1.00 61.20 O ATOM 876 CB PHE A 71 -4.124 -11.457 -6.588 1.00 51.15 C ATOM 877 CG PHE A 71 -3.684 -10.750 -7.843 1.00 5.40 C ATOM 878 CD1 PHE A 71 -3.230 -11.457 -8.944 1.00 61.42 C ATOM 879 CD2 PHE A 71 -3.713 -9.365 -7.908 1.00 63.04 C ATOM 880 CE1 PHE A 71 -2.819 -10.796 -10.089 1.00 63.51 C ATOM 881 CE2 PHE A 71 -3.308 -8.700 -9.046 1.00 65.13 C ATOM 882 CZ PHE A 71 -2.860 -9.416 -10.141 1.00 2.15 C ATOM 0 H PHE A 71 -6.374 -11.220 -7.666 1.00 62.41 H new ATOM 0 HA PHE A 71 -4.567 -13.387 -7.378 1.00 4.32 H new ATOM 0 HB2 PHE A 71 -4.599 -10.729 -5.930 1.00 51.15 H new ATOM 0 HB3 PHE A 71 -3.238 -11.824 -6.070 1.00 51.15 H new ATOM 0 HD1 PHE A 71 -3.196 -12.536 -8.909 1.00 61.42 H new ATOM 0 HD2 PHE A 71 -4.058 -8.799 -7.055 1.00 63.04 H new ATOM 0 HE1 PHE A 71 -2.467 -11.359 -10.941 1.00 63.51 H new ATOM 0 HE2 PHE A 71 -3.341 -7.621 -9.082 1.00 65.13 H new ATOM 0 HZ PHE A 71 -2.543 -8.898 -11.034 1.00 2.15 H new ATOM 892 N PHE A 72 -6.515 -12.619 -4.857 1.00 33.44 N ATOM 893 CA PHE A 72 -7.103 -13.064 -3.621 1.00 41.01 C ATOM 894 C PHE A 72 -7.589 -14.509 -3.737 1.00 43.51 C ATOM 895 O PHE A 72 -7.171 -15.369 -2.956 1.00 25.31 O ATOM 896 CB PHE A 72 -8.243 -12.100 -3.223 1.00 44.41 C ATOM 897 CG PHE A 72 -9.258 -12.671 -2.293 1.00 53.03 C ATOM 898 CD1 PHE A 72 -9.028 -12.750 -0.940 1.00 30.24 C ATOM 899 CD2 PHE A 72 -10.453 -13.136 -2.800 1.00 42.43 C ATOM 900 CE1 PHE A 72 -9.979 -13.290 -0.105 1.00 31.20 C ATOM 901 CE2 PHE A 72 -11.406 -13.674 -1.979 1.00 1.44 C ATOM 902 CZ PHE A 72 -11.172 -13.754 -0.626 1.00 3.20 C ATOM 0 H PHE A 72 -6.962 -11.787 -5.242 1.00 33.44 H new ATOM 0 HA PHE A 72 -6.350 -13.050 -2.833 1.00 41.01 H new ATOM 0 HB2 PHE A 72 -7.805 -11.216 -2.760 1.00 44.41 H new ATOM 0 HB3 PHE A 72 -8.749 -11.767 -4.129 1.00 44.41 H new ATOM 0 HD1 PHE A 72 -8.097 -12.387 -0.531 1.00 30.24 H new ATOM 0 HD2 PHE A 72 -10.640 -13.075 -3.862 1.00 42.43 H new ATOM 0 HE1 PHE A 72 -9.793 -13.351 0.957 1.00 31.20 H new ATOM 0 HE2 PHE A 72 -12.337 -14.034 -2.391 1.00 1.44 H new ATOM 0 HZ PHE A 72 -11.919 -14.179 0.028 1.00 3.20 H new ATOM 912 N ARG A 73 -8.406 -14.786 -4.746 1.00 42.51 N ATOM 913 CA ARG A 73 -8.968 -16.111 -4.925 1.00 41.42 C ATOM 914 C ARG A 73 -7.908 -17.109 -5.373 1.00 71.22 C ATOM 915 O ARG A 73 -8.087 -18.318 -5.260 1.00 71.32 O ATOM 916 CB ARG A 73 -10.189 -16.098 -5.863 1.00 70.13 C ATOM 917 CG ARG A 73 -9.920 -15.723 -7.311 1.00 23.32 C ATOM 918 CD ARG A 73 -11.218 -15.578 -8.081 1.00 42.30 C ATOM 919 NE ARG A 73 -12.053 -16.791 -8.032 1.00 65.31 N ATOM 920 CZ ARG A 73 -13.400 -16.797 -7.900 1.00 74.23 C ATOM 921 NH1 ARG A 73 -14.082 -15.646 -7.878 1.00 5.52 N ATOM 922 NH2 ARG A 73 -14.052 -17.958 -7.819 1.00 12.31 N ATOM 0 H ARG A 73 -8.692 -14.107 -5.451 1.00 42.51 H new ATOM 0 HA ARG A 73 -9.330 -16.444 -3.952 1.00 41.42 H new ATOM 0 HB2 ARG A 73 -10.645 -17.088 -5.845 1.00 70.13 H new ATOM 0 HB3 ARG A 73 -10.923 -15.401 -5.459 1.00 70.13 H new ATOM 0 HG2 ARG A 73 -9.362 -14.788 -7.351 1.00 23.32 H new ATOM 0 HG3 ARG A 73 -9.298 -16.486 -7.779 1.00 23.32 H new ATOM 0 HD2 ARG A 73 -11.783 -14.738 -7.676 1.00 42.30 H new ATOM 0 HD3 ARG A 73 -10.993 -15.340 -9.121 1.00 42.30 H new ATOM 0 HE ARG A 73 -11.581 -17.693 -8.103 1.00 65.31 H new ATOM 0 HH11 ARG A 73 -13.587 -14.758 -7.961 1.00 5.52 H new ATOM 0 HH12 ARG A 73 -15.097 -15.656 -7.778 1.00 5.52 H new ATOM 0 HH21 ARG A 73 -13.535 -18.837 -7.857 1.00 12.31 H new ATOM 0 HH22 ARG A 73 -15.067 -17.967 -7.719 1.00 12.31 H new ATOM 936 N GLN A 74 -6.813 -16.601 -5.896 1.00 34.23 N ATOM 937 CA GLN A 74 -5.702 -17.442 -6.243 1.00 32.11 C ATOM 938 C GLN A 74 -4.778 -17.732 -5.056 1.00 21.20 C ATOM 939 O GLN A 74 -3.914 -18.592 -5.143 1.00 1.33 O ATOM 940 CB GLN A 74 -4.939 -16.894 -7.420 1.00 21.42 C ATOM 941 CG GLN A 74 -5.736 -16.968 -8.694 1.00 54.54 C ATOM 942 CD GLN A 74 -4.983 -16.464 -9.881 1.00 32.44 C ATOM 943 OE1 GLN A 74 -4.147 -15.568 -9.779 1.00 74.04 O ATOM 944 NE2 GLN A 74 -5.242 -17.046 -11.000 1.00 31.22 N ATOM 0 H GLN A 74 -6.674 -15.609 -6.088 1.00 34.23 H new ATOM 0 HA GLN A 74 -6.126 -18.401 -6.539 1.00 32.11 H new ATOM 0 HB2 GLN A 74 -4.665 -15.857 -7.224 1.00 21.42 H new ATOM 0 HB3 GLN A 74 -4.010 -17.451 -7.541 1.00 21.42 H new ATOM 0 HG2 GLN A 74 -6.033 -18.002 -8.871 1.00 54.54 H new ATOM 0 HG3 GLN A 74 -6.652 -16.388 -8.578 1.00 54.54 H new ATOM 0 HE21 GLN A 74 -5.944 -17.785 -11.040 1.00 31.22 H new ATOM 0 HE22 GLN A 74 -4.745 -16.768 -11.846 1.00 31.22 H new ATOM 953 N GLY A 75 -4.971 -17.044 -3.941 1.00 12.54 N ATOM 954 CA GLY A 75 -4.156 -17.312 -2.776 1.00 44.10 C ATOM 955 C GLY A 75 -3.010 -16.339 -2.601 1.00 12.11 C ATOM 956 O GLY A 75 -2.033 -16.636 -1.928 1.00 52.23 O ATOM 0 H GLY A 75 -5.671 -16.311 -3.822 1.00 12.54 H new ATOM 0 HA2 GLY A 75 -4.786 -17.282 -1.887 1.00 44.10 H new ATOM 0 HA3 GLY A 75 -3.755 -18.323 -2.848 1.00 44.10 H new ATOM 960 N LEU A 76 -3.119 -15.189 -3.195 1.00 14.10 N ATOM 961 CA LEU A 76 -2.096 -14.173 -3.042 1.00 44.13 C ATOM 962 C LEU A 76 -2.307 -13.387 -1.768 1.00 32.52 C ATOM 963 O LEU A 76 -1.404 -13.252 -0.966 1.00 15.32 O ATOM 964 CB LEU A 76 -2.056 -13.211 -4.241 1.00 12.22 C ATOM 965 CG LEU A 76 -1.395 -13.689 -5.557 1.00 30.03 C ATOM 966 CD1 LEU A 76 0.090 -13.900 -5.374 1.00 20.32 C ATOM 967 CD2 LEU A 76 -2.033 -14.954 -6.106 1.00 43.22 C ATOM 0 H LEU A 76 -3.902 -14.921 -3.792 1.00 14.10 H new ATOM 0 HA LEU A 76 -1.139 -14.693 -2.992 1.00 44.13 H new ATOM 0 HB2 LEU A 76 -3.083 -12.927 -4.471 1.00 12.22 H new ATOM 0 HB3 LEU A 76 -1.539 -12.306 -3.921 1.00 12.22 H new ATOM 0 HG LEU A 76 -1.558 -12.895 -6.286 1.00 30.03 H new ATOM 0 HD11 LEU A 76 0.528 -14.235 -6.314 1.00 20.32 H new ATOM 0 HD12 LEU A 76 0.556 -12.963 -5.070 1.00 20.32 H new ATOM 0 HD13 LEU A 76 0.258 -14.654 -4.605 1.00 20.32 H new ATOM 0 HD21 LEU A 76 -1.531 -15.244 -7.029 1.00 43.22 H new ATOM 0 HD22 LEU A 76 -1.939 -15.756 -5.374 1.00 43.22 H new ATOM 0 HD23 LEU A 76 -3.088 -14.771 -6.309 1.00 43.22 H new ATOM 979 N PHE A 77 -3.518 -12.912 -1.553 1.00 41.12 N ATOM 980 CA PHE A 77 -3.780 -12.052 -0.400 1.00 74.24 C ATOM 981 C PHE A 77 -4.239 -12.814 0.824 1.00 72.34 C ATOM 982 O PHE A 77 -4.612 -12.216 1.787 1.00 54.22 O ATOM 983 CB PHE A 77 -4.783 -10.951 -0.735 1.00 75.11 C ATOM 984 CG PHE A 77 -4.345 -10.057 -1.848 1.00 14.33 C ATOM 985 CD1 PHE A 77 -5.038 -10.036 -3.029 1.00 51.02 C ATOM 986 CD2 PHE A 77 -3.230 -9.243 -1.715 1.00 72.24 C ATOM 987 CE1 PHE A 77 -4.645 -9.235 -4.062 1.00 31.02 C ATOM 988 CE2 PHE A 77 -2.828 -8.432 -2.755 1.00 32.30 C ATOM 989 CZ PHE A 77 -3.543 -8.430 -3.936 1.00 1.55 C ATOM 0 H PHE A 77 -4.327 -13.098 -2.145 1.00 41.12 H new ATOM 0 HA PHE A 77 -2.820 -11.597 -0.155 1.00 74.24 H new ATOM 0 HB2 PHE A 77 -5.735 -11.409 -1.002 1.00 75.11 H new ATOM 0 HB3 PHE A 77 -4.958 -10.348 0.156 1.00 75.11 H new ATOM 0 HD1 PHE A 77 -5.909 -10.663 -3.145 1.00 51.02 H new ATOM 0 HD2 PHE A 77 -2.673 -9.244 -0.790 1.00 72.24 H new ATOM 0 HE1 PHE A 77 -5.206 -9.236 -4.985 1.00 31.02 H new ATOM 0 HE2 PHE A 77 -1.958 -7.801 -2.646 1.00 32.30 H new ATOM 0 HZ PHE A 77 -3.236 -7.798 -4.756 1.00 1.55 H new ATOM 999 N LYS A 78 -4.135 -14.132 0.800 1.00 15.11 N ATOM 1000 CA LYS A 78 -4.556 -14.971 1.944 1.00 20.11 C ATOM 1001 C LYS A 78 -3.675 -14.785 3.197 1.00 54.03 C ATOM 1002 O LYS A 78 -3.962 -15.299 4.271 1.00 3.31 O ATOM 1003 CB LYS A 78 -4.782 -16.447 1.551 1.00 70.13 C ATOM 1004 CG LYS A 78 -3.664 -17.154 0.772 1.00 40.13 C ATOM 1005 CD LYS A 78 -2.344 -17.251 1.525 1.00 23.41 C ATOM 1006 CE LYS A 78 -1.381 -18.173 0.800 1.00 45.21 C ATOM 1007 NZ LYS A 78 -0.069 -18.252 1.460 1.00 25.31 N ATOM 0 H LYS A 78 -3.765 -14.658 0.008 1.00 15.11 H new ATOM 0 HA LYS A 78 -5.537 -14.600 2.242 1.00 20.11 H new ATOM 0 HB2 LYS A 78 -4.965 -17.013 2.464 1.00 70.13 H new ATOM 0 HB3 LYS A 78 -5.693 -16.500 0.954 1.00 70.13 H new ATOM 0 HG2 LYS A 78 -3.996 -18.159 0.513 1.00 40.13 H new ATOM 0 HG3 LYS A 78 -3.497 -16.622 -0.165 1.00 40.13 H new ATOM 0 HD2 LYS A 78 -1.902 -16.260 1.624 1.00 23.41 H new ATOM 0 HD3 LYS A 78 -2.521 -17.623 2.534 1.00 23.41 H new ATOM 0 HE2 LYS A 78 -1.815 -19.171 0.741 1.00 45.21 H new ATOM 0 HE3 LYS A 78 -1.248 -17.822 -0.223 1.00 45.21 H new ATOM 0 HZ1 LYS A 78 0.550 -18.894 0.925 1.00 25.31 H new ATOM 0 HZ2 LYS A 78 0.360 -17.305 1.494 1.00 25.31 H new ATOM 0 HZ3 LYS A 78 -0.189 -18.613 2.428 1.00 25.31 H new ATOM 1021 N LYS A 79 -2.571 -14.132 2.991 1.00 53.21 N ATOM 1022 CA LYS A 79 -1.619 -13.792 4.030 1.00 53.13 C ATOM 1023 C LYS A 79 -1.967 -12.455 4.708 1.00 64.11 C ATOM 1024 O LYS A 79 -1.378 -12.104 5.740 1.00 22.44 O ATOM 1025 CB LYS A 79 -0.212 -13.745 3.436 1.00 21.05 C ATOM 1026 CG LYS A 79 -0.122 -12.875 2.186 1.00 12.13 C ATOM 1027 CD LYS A 79 1.275 -12.839 1.613 1.00 34.51 C ATOM 1028 CE LYS A 79 1.285 -12.132 0.264 1.00 12.41 C ATOM 1029 NZ LYS A 79 2.639 -12.022 -0.292 1.00 42.11 N ATOM 0 H LYS A 79 -2.290 -13.806 2.066 1.00 53.21 H new ATOM 0 HA LYS A 79 -1.663 -14.562 4.800 1.00 53.13 H new ATOM 0 HB2 LYS A 79 0.481 -13.366 4.187 1.00 21.05 H new ATOM 0 HB3 LYS A 79 0.107 -14.758 3.191 1.00 21.05 H new ATOM 0 HG2 LYS A 79 -0.812 -13.254 1.432 1.00 12.13 H new ATOM 0 HG3 LYS A 79 -0.439 -11.861 2.428 1.00 12.13 H new ATOM 0 HD2 LYS A 79 1.944 -12.325 2.304 1.00 34.51 H new ATOM 0 HD3 LYS A 79 1.653 -13.855 1.500 1.00 34.51 H new ATOM 0 HE2 LYS A 79 0.650 -12.676 -0.435 1.00 12.41 H new ATOM 0 HE3 LYS A 79 0.857 -11.136 0.374 1.00 12.41 H new ATOM 0 HZ1 LYS A 79 2.648 -11.303 -1.043 1.00 42.11 H new ATOM 0 HZ2 LYS A 79 3.302 -11.746 0.460 1.00 42.11 H new ATOM 0 HZ3 LYS A 79 2.927 -12.940 -0.688 1.00 42.11 H new ATOM 1043 N LEU A 80 -2.919 -11.726 4.134 1.00 23.11 N ATOM 1044 CA LEU A 80 -3.261 -10.381 4.591 1.00 51.25 C ATOM 1045 C LEU A 80 -3.841 -10.415 6.006 1.00 74.20 C ATOM 1046 O LEU A 80 -3.702 -9.453 6.766 1.00 50.42 O ATOM 1047 CB LEU A 80 -4.211 -9.703 3.560 1.00 11.04 C ATOM 1048 CG LEU A 80 -4.612 -8.221 3.762 1.00 32.14 C ATOM 1049 CD1 LEU A 80 -5.072 -7.644 2.434 1.00 74.34 C ATOM 1050 CD2 LEU A 80 -5.753 -8.079 4.773 1.00 30.20 C ATOM 0 H LEU A 80 -3.474 -12.048 3.341 1.00 23.11 H new ATOM 0 HA LEU A 80 -2.358 -9.774 4.651 1.00 51.25 H new ATOM 0 HB2 LEU A 80 -3.743 -9.785 2.579 1.00 11.04 H new ATOM 0 HB3 LEU A 80 -5.129 -10.289 3.525 1.00 11.04 H new ATOM 0 HG LEU A 80 -3.741 -7.686 4.142 1.00 32.14 H new ATOM 0 HD11 LEU A 80 -5.356 -6.600 2.570 1.00 74.34 H new ATOM 0 HD12 LEU A 80 -4.261 -7.708 1.709 1.00 74.34 H new ATOM 0 HD13 LEU A 80 -5.930 -8.209 2.069 1.00 74.34 H new ATOM 0 HD21 LEU A 80 -6.007 -7.025 4.889 1.00 30.20 H new ATOM 0 HD22 LEU A 80 -6.626 -8.626 4.416 1.00 30.20 H new ATOM 0 HD23 LEU A 80 -5.439 -8.485 5.735 1.00 30.20 H new ATOM 1062 N LYS A 81 -4.433 -11.540 6.370 1.00 64.11 N ATOM 1063 CA LYS A 81 -5.010 -11.721 7.701 1.00 63.13 C ATOM 1064 C LYS A 81 -3.956 -11.589 8.813 1.00 31.11 C ATOM 1065 O LYS A 81 -4.281 -11.276 9.958 1.00 23.23 O ATOM 1066 CB LYS A 81 -5.705 -13.078 7.827 1.00 30.21 C ATOM 1067 CG LYS A 81 -4.790 -14.285 7.602 1.00 4.21 C ATOM 1068 CD LYS A 81 -5.468 -15.591 8.003 1.00 72.10 C ATOM 1069 CE LYS A 81 -5.725 -15.658 9.508 1.00 61.31 C ATOM 1070 NZ LYS A 81 -4.474 -15.716 10.285 1.00 63.23 N ATOM 0 H LYS A 81 -4.529 -12.351 5.759 1.00 64.11 H new ATOM 0 HA LYS A 81 -5.745 -10.925 7.824 1.00 63.13 H new ATOM 0 HB2 LYS A 81 -6.148 -13.154 8.820 1.00 30.21 H new ATOM 0 HB3 LYS A 81 -6.524 -13.120 7.109 1.00 30.21 H new ATOM 0 HG2 LYS A 81 -4.502 -14.332 6.552 1.00 4.21 H new ATOM 0 HG3 LYS A 81 -3.874 -14.159 8.178 1.00 4.21 H new ATOM 0 HD2 LYS A 81 -6.413 -15.689 7.468 1.00 72.10 H new ATOM 0 HD3 LYS A 81 -4.843 -16.432 7.703 1.00 72.10 H new ATOM 0 HE2 LYS A 81 -6.301 -14.785 9.815 1.00 61.31 H new ATOM 0 HE3 LYS A 81 -6.331 -16.536 9.733 1.00 61.31 H new ATOM 0 HZ1 LYS A 81 -4.460 -16.585 10.857 1.00 63.23 H new ATOM 0 HZ2 LYS A 81 -3.662 -15.716 9.636 1.00 63.23 H new ATOM 0 HZ3 LYS A 81 -4.416 -14.888 10.912 1.00 63.23 H new ATOM 1084 N ASP A 82 -2.710 -11.836 8.475 1.00 73.35 N ATOM 1085 CA ASP A 82 -1.627 -11.780 9.446 1.00 54.42 C ATOM 1086 C ASP A 82 -0.790 -10.552 9.285 1.00 13.32 C ATOM 1087 O ASP A 82 0.297 -10.454 9.871 1.00 54.14 O ATOM 1088 CB ASP A 82 -0.737 -13.017 9.376 1.00 73.45 C ATOM 1089 CG ASP A 82 -1.333 -14.208 10.057 1.00 62.41 C ATOM 1090 OD1 ASP A 82 -0.986 -14.468 11.228 1.00 4.51 O ATOM 1091 OD2 ASP A 82 -2.120 -14.932 9.443 1.00 41.52 O ATOM 0 H ASP A 82 -2.415 -12.080 7.530 1.00 73.35 H new ATOM 0 HA ASP A 82 -2.104 -11.747 10.426 1.00 54.42 H new ATOM 0 HB2 ASP A 82 -0.546 -13.261 8.331 1.00 73.45 H new ATOM 0 HB3 ASP A 82 0.227 -12.790 9.832 1.00 73.45 H new ATOM 1096 N ALA A 83 -1.283 -9.603 8.528 1.00 33.51 N ATOM 1097 CA ALA A 83 -0.543 -8.393 8.290 1.00 45.21 C ATOM 1098 C ALA A 83 -0.470 -7.534 9.548 1.00 22.23 C ATOM 1099 O ALA A 83 -1.492 -7.218 10.175 1.00 0.32 O ATOM 1100 CB ALA A 83 -1.101 -7.622 7.116 1.00 4.43 C ATOM 0 H ALA A 83 -2.192 -9.647 8.068 1.00 33.51 H new ATOM 0 HA ALA A 83 0.477 -8.676 8.029 1.00 45.21 H new ATOM 0 HB1 ALA A 83 -0.517 -6.714 6.966 1.00 4.43 H new ATOM 0 HB2 ALA A 83 -1.050 -8.238 6.219 1.00 4.43 H new ATOM 0 HB3 ALA A 83 -2.139 -7.357 7.315 1.00 4.43 H new ATOM 1106 N GLU A 84 0.730 -7.184 9.908 1.00 25.03 N ATOM 1107 CA GLU A 84 1.007 -6.419 11.095 1.00 73.51 C ATOM 1108 C GLU A 84 0.895 -4.956 10.784 1.00 70.23 C ATOM 1109 O GLU A 84 1.574 -4.463 9.891 1.00 24.03 O ATOM 1110 CB GLU A 84 2.409 -6.709 11.595 1.00 61.50 C ATOM 1111 CG GLU A 84 2.690 -8.168 11.862 1.00 51.24 C ATOM 1112 CD GLU A 84 4.092 -8.378 12.338 1.00 34.34 C ATOM 1113 OE1 GLU A 84 4.308 -8.437 13.574 1.00 73.43 O ATOM 1114 OE2 GLU A 84 5.003 -8.460 11.507 1.00 12.34 O ATOM 0 H GLU A 84 1.565 -7.427 9.374 1.00 25.03 H new ATOM 0 HA GLU A 84 0.287 -6.696 11.865 1.00 73.51 H new ATOM 0 HB2 GLU A 84 3.126 -6.343 10.860 1.00 61.50 H new ATOM 0 HB3 GLU A 84 2.577 -6.146 12.513 1.00 61.50 H new ATOM 0 HG2 GLU A 84 1.991 -8.543 12.609 1.00 51.24 H new ATOM 0 HG3 GLU A 84 2.524 -8.744 10.952 1.00 51.24 H new ATOM 1121 N PHE A 85 0.068 -4.270 11.505 1.00 3.02 N ATOM 1122 CA PHE A 85 -0.141 -2.870 11.268 1.00 3.22 C ATOM 1123 C PHE A 85 0.852 -2.018 12.023 1.00 42.31 C ATOM 1124 O PHE A 85 1.171 -2.285 13.203 1.00 35.43 O ATOM 1125 CB PHE A 85 -1.599 -2.438 11.573 1.00 31.44 C ATOM 1126 CG PHE A 85 -2.120 -2.794 12.948 1.00 41.13 C ATOM 1127 CD1 PHE A 85 -2.758 -4.006 13.167 1.00 12.12 C ATOM 1128 CD2 PHE A 85 -1.988 -1.911 14.012 1.00 32.32 C ATOM 1129 CE1 PHE A 85 -3.250 -4.333 14.417 1.00 15.31 C ATOM 1130 CE2 PHE A 85 -2.476 -2.234 15.264 1.00 34.11 C ATOM 1131 CZ PHE A 85 -3.108 -3.446 15.466 1.00 62.03 C ATOM 0 H PHE A 85 -0.481 -4.658 12.272 1.00 3.02 H new ATOM 0 HA PHE A 85 0.028 -2.706 10.204 1.00 3.22 H new ATOM 0 HB2 PHE A 85 -1.671 -1.358 11.447 1.00 31.44 H new ATOM 0 HB3 PHE A 85 -2.255 -2.890 10.829 1.00 31.44 H new ATOM 0 HD1 PHE A 85 -2.872 -4.703 12.350 1.00 12.12 H new ATOM 0 HD2 PHE A 85 -1.498 -0.961 13.859 1.00 32.32 H new ATOM 0 HE1 PHE A 85 -3.745 -5.280 14.573 1.00 15.31 H new ATOM 0 HE2 PHE A 85 -2.363 -1.540 16.084 1.00 34.11 H new ATOM 0 HZ PHE A 85 -3.491 -3.700 16.444 1.00 62.03 H new ATOM 1141 N ALA A 86 1.382 -1.046 11.335 1.00 72.32 N ATOM 1142 CA ALA A 86 2.219 -0.055 11.932 1.00 34.32 C ATOM 1143 C ALA A 86 1.297 1.002 12.446 1.00 14.31 C ATOM 1144 O ALA A 86 0.374 1.434 11.729 1.00 2.12 O ATOM 1145 CB ALA A 86 3.183 0.525 10.914 1.00 30.15 C ATOM 0 H ALA A 86 1.241 -0.922 10.332 1.00 72.32 H new ATOM 0 HA ALA A 86 2.828 -0.479 12.730 1.00 34.32 H new ATOM 0 HB1 ALA A 86 3.809 1.277 11.393 1.00 30.15 H new ATOM 0 HB2 ALA A 86 3.812 -0.270 10.515 1.00 30.15 H new ATOM 0 HB3 ALA A 86 2.621 0.985 10.101 1.00 30.15 H new ATOM 1151 N ILE A 87 1.493 1.415 13.651 1.00 4.01 N ATOM 1152 CA ILE A 87 0.568 2.312 14.252 1.00 55.15 C ATOM 1153 C ILE A 87 0.829 3.782 13.885 1.00 64.43 C ATOM 1154 O ILE A 87 1.407 4.568 14.645 1.00 13.10 O ATOM 1155 CB ILE A 87 0.382 2.064 15.785 1.00 64.20 C ATOM 1156 CG1 ILE A 87 -0.690 2.982 16.399 1.00 2.10 C ATOM 1157 CG2 ILE A 87 1.693 2.155 16.543 1.00 5.35 C ATOM 1158 CD1 ILE A 87 -2.090 2.736 15.866 1.00 51.33 C ATOM 0 H ILE A 87 2.283 1.147 14.238 1.00 4.01 H new ATOM 0 HA ILE A 87 -0.402 2.082 13.811 1.00 55.15 H new ATOM 0 HB ILE A 87 0.022 1.040 15.887 1.00 64.20 H new ATOM 0 HG12 ILE A 87 -0.695 2.846 17.480 1.00 2.10 H new ATOM 0 HG13 ILE A 87 -0.417 4.020 16.210 1.00 2.10 H new ATOM 0 HG21 ILE A 87 1.514 1.976 17.603 1.00 5.35 H new ATOM 0 HG22 ILE A 87 2.387 1.406 16.161 1.00 5.35 H new ATOM 0 HG23 ILE A 87 2.122 3.148 16.410 1.00 5.35 H new ATOM 0 HD11 ILE A 87 -2.788 3.421 16.347 1.00 51.33 H new ATOM 0 HD12 ILE A 87 -2.103 2.901 14.789 1.00 51.33 H new ATOM 0 HD13 ILE A 87 -2.385 1.709 16.079 1.00 51.33 H new ATOM 1170 N ASN A 88 0.481 4.103 12.670 1.00 2.43 N ATOM 1171 CA ASN A 88 0.469 5.465 12.210 1.00 65.12 C ATOM 1172 C ASN A 88 -0.905 5.956 12.537 1.00 51.55 C ATOM 1173 O ASN A 88 -1.870 5.627 11.848 1.00 40.22 O ATOM 1174 CB ASN A 88 0.717 5.551 10.688 1.00 3.01 C ATOM 1175 CG ASN A 88 0.743 6.990 10.136 1.00 51.41 C ATOM 1176 OD1 ASN A 88 0.100 7.910 10.661 1.00 52.12 O ATOM 1177 ND2 ASN A 88 1.460 7.191 9.075 1.00 43.25 N ATOM 0 H ASN A 88 0.196 3.423 11.966 1.00 2.43 H new ATOM 0 HA ASN A 88 1.256 6.056 12.679 1.00 65.12 H new ATOM 0 HB2 ASN A 88 1.666 5.067 10.457 1.00 3.01 H new ATOM 0 HB3 ASN A 88 -0.061 4.989 10.171 1.00 3.01 H new ATOM 0 HD21 ASN A 88 1.502 8.120 8.657 1.00 43.25 H new ATOM 0 HD22 ASN A 88 1.982 6.420 8.658 1.00 43.25 H new ATOM 1184 N VAL A 89 -1.028 6.669 13.600 1.00 74.43 N ATOM 1185 CA VAL A 89 -2.316 7.042 14.050 1.00 52.03 C ATOM 1186 C VAL A 89 -2.593 8.533 13.957 1.00 53.52 C ATOM 1187 O VAL A 89 -2.140 9.337 14.778 1.00 4.31 O ATOM 1188 CB VAL A 89 -2.638 6.454 15.468 1.00 21.33 C ATOM 1189 CG1 VAL A 89 -1.587 6.837 16.500 1.00 44.02 C ATOM 1190 CG2 VAL A 89 -4.039 6.847 15.938 1.00 54.10 C ATOM 0 H VAL A 89 -0.252 7.004 14.172 1.00 74.43 H new ATOM 0 HA VAL A 89 -3.014 6.584 13.349 1.00 52.03 H new ATOM 0 HB VAL A 89 -2.613 5.369 15.368 1.00 21.33 H new ATOM 0 HG11 VAL A 89 -1.852 6.408 17.466 1.00 44.02 H new ATOM 0 HG12 VAL A 89 -0.615 6.456 16.188 1.00 44.02 H new ATOM 0 HG13 VAL A 89 -1.540 7.923 16.586 1.00 44.02 H new ATOM 0 HG21 VAL A 89 -4.225 6.421 16.924 1.00 54.10 H new ATOM 0 HG22 VAL A 89 -4.113 7.933 15.992 1.00 54.10 H new ATOM 0 HG23 VAL A 89 -4.779 6.467 15.233 1.00 54.10 H new ATOM 1200 N SER A 90 -3.258 8.908 12.892 1.00 3.42 N ATOM 1201 CA SER A 90 -3.830 10.215 12.820 1.00 34.14 C ATOM 1202 C SER A 90 -5.176 10.118 13.550 1.00 12.44 C ATOM 1203 O SER A 90 -5.563 11.005 14.302 1.00 61.43 O ATOM 1204 CB SER A 90 -4.005 10.637 11.360 1.00 60.52 C ATOM 1205 OG SER A 90 -2.754 10.557 10.672 1.00 72.14 O ATOM 0 H SER A 90 -3.412 8.324 12.070 1.00 3.42 H new ATOM 0 HA SER A 90 -3.194 10.971 13.281 1.00 34.14 H new ATOM 0 HB2 SER A 90 -4.738 9.994 10.873 1.00 60.52 H new ATOM 0 HB3 SER A 90 -4.391 11.655 11.311 1.00 60.52 H new ATOM 0 HG SER A 90 -2.876 10.827 9.738 1.00 72.14 H new ATOM 1211 N GLY A 91 -5.831 8.970 13.346 1.00 33.11 N ATOM 1212 CA GLY A 91 -7.059 8.621 14.033 1.00 55.54 C ATOM 1213 C GLY A 91 -8.132 9.665 13.933 1.00 55.15 C ATOM 1214 O GLY A 91 -8.612 9.974 12.834 1.00 35.54 O ATOM 0 H GLY A 91 -5.512 8.256 12.691 1.00 33.11 H new ATOM 0 HA2 GLY A 91 -7.438 7.684 13.624 1.00 55.54 H new ATOM 0 HA3 GLY A 91 -6.837 8.443 15.085 1.00 55.54 H new ATOM 1218 N LYS A 92 -8.483 10.224 15.065 1.00 72.44 N ATOM 1219 CA LYS A 92 -9.527 11.212 15.143 1.00 63.23 C ATOM 1220 C LYS A 92 -9.042 12.583 14.697 1.00 62.24 C ATOM 1221 O LYS A 92 -8.634 13.421 15.519 1.00 64.02 O ATOM 1222 CB LYS A 92 -10.127 11.275 16.548 1.00 31.41 C ATOM 1223 CG LYS A 92 -10.806 9.984 16.984 1.00 31.33 C ATOM 1224 CD LYS A 92 -11.351 10.070 18.405 1.00 61.30 C ATOM 1225 CE LYS A 92 -10.244 10.235 19.435 1.00 42.31 C ATOM 1226 NZ LYS A 92 -10.773 10.270 20.812 1.00 24.45 N ATOM 0 H LYS A 92 -8.049 10.004 15.962 1.00 72.44 H new ATOM 0 HA LYS A 92 -10.313 10.903 14.454 1.00 63.23 H new ATOM 0 HB2 LYS A 92 -9.338 11.518 17.260 1.00 31.41 H new ATOM 0 HB3 LYS A 92 -10.853 12.087 16.587 1.00 31.41 H new ATOM 0 HG2 LYS A 92 -11.621 9.755 16.298 1.00 31.33 H new ATOM 0 HG3 LYS A 92 -10.094 9.161 16.919 1.00 31.33 H new ATOM 0 HD2 LYS A 92 -12.041 10.911 18.478 1.00 61.30 H new ATOM 0 HD3 LYS A 92 -11.922 9.169 18.629 1.00 61.30 H new ATOM 0 HE2 LYS A 92 -9.534 9.413 19.340 1.00 42.31 H new ATOM 0 HE3 LYS A 92 -9.695 11.155 19.234 1.00 42.31 H new ATOM 0 HZ1 LYS A 92 -9.987 10.384 21.483 1.00 24.45 H new ATOM 0 HZ2 LYS A 92 -11.431 11.069 20.911 1.00 24.45 H new ATOM 0 HZ3 LYS A 92 -11.275 9.382 21.014 1.00 24.45 H new ATOM 1240 N VAL A 93 -8.992 12.758 13.403 1.00 70.10 N ATOM 1241 CA VAL A 93 -8.693 14.023 12.793 1.00 53.54 C ATOM 1242 C VAL A 93 -9.871 14.430 11.927 1.00 54.11 C ATOM 1243 O VAL A 93 -10.186 13.797 10.899 1.00 34.51 O ATOM 1244 CB VAL A 93 -7.341 14.042 11.999 1.00 63.34 C ATOM 1245 CG1 VAL A 93 -6.170 13.938 12.957 1.00 62.10 C ATOM 1246 CG2 VAL A 93 -7.262 12.918 10.976 1.00 13.30 C ATOM 0 H VAL A 93 -9.162 12.009 12.732 1.00 70.10 H new ATOM 0 HA VAL A 93 -8.544 14.755 13.587 1.00 53.54 H new ATOM 0 HB VAL A 93 -7.297 14.989 11.461 1.00 63.34 H new ATOM 0 HG11 VAL A 93 -5.237 13.952 12.394 1.00 62.10 H new ATOM 0 HG12 VAL A 93 -6.190 14.781 13.648 1.00 62.10 H new ATOM 0 HG13 VAL A 93 -6.241 13.006 13.518 1.00 62.10 H new ATOM 0 HG21 VAL A 93 -6.309 12.971 10.450 1.00 13.30 H new ATOM 0 HG22 VAL A 93 -7.343 11.957 11.484 1.00 13.30 H new ATOM 0 HG23 VAL A 93 -8.077 13.020 10.260 1.00 13.30 H new ATOM 1256 N LYS A 94 -10.548 15.443 12.362 1.00 53.14 N ATOM 1257 CA LYS A 94 -11.754 15.870 11.730 1.00 3.33 C ATOM 1258 C LYS A 94 -11.432 16.927 10.683 1.00 45.43 C ATOM 1259 O LYS A 94 -11.507 18.132 10.934 1.00 62.45 O ATOM 1260 CB LYS A 94 -12.727 16.371 12.799 1.00 72.12 C ATOM 1261 CG LYS A 94 -14.163 16.541 12.355 1.00 1.21 C ATOM 1262 CD LYS A 94 -15.027 16.886 13.552 1.00 4.24 C ATOM 1263 CE LYS A 94 -16.495 16.928 13.198 1.00 2.02 C ATOM 1264 NZ LYS A 94 -17.329 17.211 14.379 1.00 15.13 N ATOM 0 H LYS A 94 -10.278 16.001 13.172 1.00 53.14 H new ATOM 0 HA LYS A 94 -12.236 15.042 11.210 1.00 3.33 H new ATOM 0 HB2 LYS A 94 -12.706 15.675 13.637 1.00 72.12 H new ATOM 0 HB3 LYS A 94 -12.366 17.330 13.171 1.00 72.12 H new ATOM 0 HG2 LYS A 94 -14.232 17.329 11.605 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -14.521 15.624 11.888 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -14.865 16.150 14.340 1.00 4.24 H new ATOM 0 HD3 LYS A 94 -14.723 17.853 13.952 1.00 4.24 H new ATOM 0 HE2 LYS A 94 -16.665 17.692 12.440 1.00 2.02 H new ATOM 0 HE3 LYS A 94 -16.792 15.974 12.762 1.00 2.02 H new ATOM 0 HZ1 LYS A 94 -18.331 17.233 14.100 1.00 15.13 H new ATOM 0 HZ2 LYS A 94 -17.184 16.468 15.092 1.00 15.13 H new ATOM 0 HZ3 LYS A 94 -17.062 18.133 14.780 1.00 15.13 H new ATOM 1278 N GLU A 95 -10.985 16.450 9.552 1.00 61.21 N ATOM 1279 CA GLU A 95 -10.584 17.266 8.439 1.00 34.35 C ATOM 1280 C GLU A 95 -10.663 16.414 7.188 1.00 70.01 C ATOM 1281 O GLU A 95 -10.568 15.178 7.270 1.00 2.01 O ATOM 1282 CB GLU A 95 -9.134 17.771 8.659 1.00 13.43 C ATOM 1283 CG GLU A 95 -8.516 18.546 7.493 1.00 43.25 C ATOM 1284 CD GLU A 95 -9.273 19.798 7.123 1.00 42.43 C ATOM 1285 OE1 GLU A 95 -8.876 20.898 7.561 1.00 53.43 O ATOM 1286 OE2 GLU A 95 -10.278 19.707 6.380 1.00 22.14 O ATOM 0 H GLU A 95 -10.887 15.450 9.375 1.00 61.21 H new ATOM 0 HA GLU A 95 -11.236 18.134 8.341 1.00 34.35 H new ATOM 0 HB2 GLU A 95 -9.122 18.409 9.542 1.00 13.43 H new ATOM 0 HB3 GLU A 95 -8.499 16.912 8.877 1.00 13.43 H new ATOM 0 HG2 GLU A 95 -7.492 18.815 7.750 1.00 43.25 H new ATOM 0 HG3 GLU A 95 -8.465 17.893 6.622 1.00 43.25 H new ATOM 1293 N GLY A 96 -10.823 17.048 6.057 1.00 11.35 N ATOM 1294 CA GLY A 96 -10.887 16.351 4.811 1.00 72.11 C ATOM 1295 C GLY A 96 -9.498 16.029 4.306 1.00 4.50 C ATOM 1296 O GLY A 96 -9.013 16.644 3.346 1.00 55.53 O ATOM 0 H GLY A 96 -10.912 18.061 5.979 1.00 11.35 H new ATOM 0 HA2 GLY A 96 -11.458 15.430 4.933 1.00 72.11 H new ATOM 0 HA3 GLY A 96 -11.415 16.958 4.076 1.00 72.11 H new ATOM 1300 N GLU A 97 -8.840 15.109 4.975 1.00 10.40 N ATOM 1301 CA GLU A 97 -7.507 14.691 4.614 1.00 12.23 C ATOM 1302 C GLU A 97 -7.453 13.169 4.470 1.00 63.22 C ATOM 1303 O GLU A 97 -8.462 12.482 4.707 1.00 14.33 O ATOM 1304 CB GLU A 97 -6.464 15.196 5.625 1.00 43.40 C ATOM 1305 CG GLU A 97 -6.619 14.684 7.048 1.00 10.03 C ATOM 1306 CD GLU A 97 -5.470 15.134 7.913 1.00 21.23 C ATOM 1307 OE1 GLU A 97 -4.365 14.553 7.802 1.00 62.14 O ATOM 1308 OE2 GLU A 97 -5.623 16.102 8.691 1.00 24.03 O ATOM 0 H GLU A 97 -9.219 14.627 5.790 1.00 10.40 H new ATOM 0 HA GLU A 97 -7.258 15.137 3.651 1.00 12.23 H new ATOM 0 HB2 GLU A 97 -5.473 14.919 5.265 1.00 43.40 H new ATOM 0 HB3 GLU A 97 -6.503 16.285 5.645 1.00 43.40 H new ATOM 0 HG2 GLU A 97 -7.558 15.045 7.468 1.00 10.03 H new ATOM 0 HG3 GLU A 97 -6.670 13.595 7.043 1.00 10.03 H new ATOM 1315 N GLY A 98 -6.307 12.649 4.083 1.00 65.05 N ATOM 1316 CA GLY A 98 -6.183 11.232 3.856 1.00 44.21 C ATOM 1317 C GLY A 98 -5.540 10.499 5.008 1.00 70.43 C ATOM 1318 O GLY A 98 -4.706 11.053 5.707 1.00 63.50 O ATOM 0 H GLY A 98 -5.455 13.186 3.921 1.00 65.05 H new ATOM 0 HA2 GLY A 98 -7.172 10.812 3.673 1.00 44.21 H new ATOM 0 HA3 GLY A 98 -5.594 11.065 2.954 1.00 44.21 H new ATOM 1322 N TYR A 99 -5.928 9.261 5.200 1.00 33.44 N ATOM 1323 CA TYR A 99 -5.375 8.415 6.223 1.00 41.05 C ATOM 1324 C TYR A 99 -4.501 7.408 5.525 1.00 31.23 C ATOM 1325 O TYR A 99 -4.908 6.850 4.483 1.00 61.31 O ATOM 1326 CB TYR A 99 -6.477 7.660 6.984 1.00 22.00 C ATOM 1327 CG TYR A 99 -7.600 8.524 7.505 1.00 71.24 C ATOM 1328 CD1 TYR A 99 -8.872 8.410 6.975 1.00 41.31 C ATOM 1329 CD2 TYR A 99 -7.392 9.447 8.516 1.00 63.51 C ATOM 1330 CE1 TYR A 99 -9.909 9.183 7.421 1.00 54.21 C ATOM 1331 CE2 TYR A 99 -8.427 10.232 8.979 1.00 52.41 C ATOM 1332 CZ TYR A 99 -9.684 10.102 8.430 1.00 64.04 C ATOM 1333 OH TYR A 99 -10.715 10.902 8.892 1.00 11.21 O ATOM 0 H TYR A 99 -6.649 8.808 4.639 1.00 33.44 H new ATOM 0 HA TYR A 99 -4.824 9.020 6.943 1.00 41.05 H new ATOM 0 HB2 TYR A 99 -6.898 6.901 6.324 1.00 22.00 H new ATOM 0 HB3 TYR A 99 -6.023 7.135 7.824 1.00 22.00 H new ATOM 0 HD1 TYR A 99 -9.052 7.692 6.188 1.00 41.31 H new ATOM 0 HD2 TYR A 99 -6.407 9.553 8.947 1.00 63.51 H new ATOM 0 HE1 TYR A 99 -10.893 9.077 6.990 1.00 54.21 H new ATOM 0 HE2 TYR A 99 -8.253 10.947 9.770 1.00 52.41 H new ATOM 0 HH TYR A 99 -10.381 11.489 9.602 1.00 11.21 H new ATOM 1343 N LYS A 100 -3.333 7.184 6.057 1.00 20.43 N ATOM 1344 CA LYS A 100 -2.386 6.272 5.472 1.00 24.10 C ATOM 1345 C LYS A 100 -1.962 5.280 6.510 1.00 2.43 C ATOM 1346 O LYS A 100 -1.241 5.618 7.449 1.00 43.05 O ATOM 1347 CB LYS A 100 -1.155 7.016 4.948 1.00 21.14 C ATOM 1348 CG LYS A 100 -1.458 8.088 3.926 1.00 14.21 C ATOM 1349 CD LYS A 100 -0.191 8.766 3.459 1.00 43.43 C ATOM 1350 CE LYS A 100 -0.500 9.905 2.515 1.00 3.14 C ATOM 1351 NZ LYS A 100 0.722 10.594 2.064 1.00 1.01 N ATOM 0 H LYS A 100 -3.007 7.631 6.914 1.00 20.43 H new ATOM 0 HA LYS A 100 -2.862 5.765 4.632 1.00 24.10 H new ATOM 0 HB2 LYS A 100 -0.636 7.472 5.791 1.00 21.14 H new ATOM 0 HB3 LYS A 100 -0.470 6.293 4.505 1.00 21.14 H new ATOM 0 HG2 LYS A 100 -1.974 7.647 3.073 1.00 14.21 H new ATOM 0 HG3 LYS A 100 -2.132 8.827 4.359 1.00 14.21 H new ATOM 0 HD2 LYS A 100 0.362 9.143 4.319 1.00 43.43 H new ATOM 0 HD3 LYS A 100 0.451 8.040 2.960 1.00 43.43 H new ATOM 0 HE2 LYS A 100 -1.041 9.522 1.650 1.00 3.14 H new ATOM 0 HE3 LYS A 100 -1.157 10.619 3.011 1.00 3.14 H new ATOM 0 HZ1 LYS A 100 0.466 11.368 1.418 1.00 1.01 H new ATOM 0 HZ2 LYS A 100 1.226 10.982 2.887 1.00 1.01 H new ATOM 0 HZ3 LYS A 100 1.338 9.919 1.568 1.00 1.01 H new ATOM 1365 N LEU A 101 -2.414 4.089 6.367 1.00 3.11 N ATOM 1366 CA LEU A 101 -2.098 3.045 7.303 1.00 72.04 C ATOM 1367 C LEU A 101 -1.275 2.011 6.588 1.00 10.21 C ATOM 1368 O LEU A 101 -1.563 1.695 5.442 1.00 73.40 O ATOM 1369 CB LEU A 101 -3.396 2.438 7.834 1.00 41.20 C ATOM 1370 CG LEU A 101 -4.340 3.421 8.540 1.00 64.12 C ATOM 1371 CD1 LEU A 101 -5.673 2.777 8.828 1.00 2.13 C ATOM 1372 CD2 LEU A 101 -3.719 3.931 9.827 1.00 44.43 C ATOM 0 H LEU A 101 -3.017 3.797 5.598 1.00 3.11 H new ATOM 0 HA LEU A 101 -1.532 3.435 8.149 1.00 72.04 H new ATOM 0 HB2 LEU A 101 -3.931 1.981 7.002 1.00 41.20 H new ATOM 0 HB3 LEU A 101 -3.145 1.638 8.530 1.00 41.20 H new ATOM 0 HG LEU A 101 -4.502 4.266 7.871 1.00 64.12 H new ATOM 0 HD11 LEU A 101 -6.323 3.495 9.328 1.00 2.13 H new ATOM 0 HD12 LEU A 101 -6.134 2.461 7.892 1.00 2.13 H new ATOM 0 HD13 LEU A 101 -5.527 1.910 9.472 1.00 2.13 H new ATOM 0 HD21 LEU A 101 -4.405 4.626 10.311 1.00 44.43 H new ATOM 0 HD22 LEU A 101 -3.522 3.091 10.494 1.00 44.43 H new ATOM 0 HD23 LEU A 101 -2.783 4.442 9.602 1.00 44.43 H new ATOM 1384 N VAL A 102 -0.253 1.502 7.221 1.00 23.43 N ATOM 1385 CA VAL A 102 0.602 0.551 6.565 1.00 1.44 C ATOM 1386 C VAL A 102 0.768 -0.726 7.392 1.00 64.10 C ATOM 1387 O VAL A 102 0.883 -0.690 8.621 1.00 24.12 O ATOM 1388 CB VAL A 102 1.984 1.175 6.178 1.00 21.33 C ATOM 1389 CG1 VAL A 102 2.749 1.634 7.401 1.00 73.11 C ATOM 1390 CG2 VAL A 102 2.824 0.220 5.325 1.00 64.23 C ATOM 0 H VAL A 102 0.006 1.727 8.181 1.00 23.43 H new ATOM 0 HA VAL A 102 0.109 0.270 5.634 1.00 1.44 H new ATOM 0 HB VAL A 102 1.775 2.054 5.569 1.00 21.33 H new ATOM 0 HG11 VAL A 102 3.703 2.062 7.094 1.00 73.11 H new ATOM 0 HG12 VAL A 102 2.168 2.388 7.932 1.00 73.11 H new ATOM 0 HG13 VAL A 102 2.928 0.783 8.059 1.00 73.11 H new ATOM 0 HG21 VAL A 102 3.775 0.693 5.079 1.00 64.23 H new ATOM 0 HG22 VAL A 102 3.009 -0.698 5.882 1.00 64.23 H new ATOM 0 HG23 VAL A 102 2.287 -0.015 4.406 1.00 64.23 H new ATOM 1400 N TRP A 103 0.717 -1.828 6.709 1.00 45.20 N ATOM 1401 CA TRP A 103 0.877 -3.134 7.271 1.00 32.34 C ATOM 1402 C TRP A 103 2.075 -3.802 6.661 1.00 12.52 C ATOM 1403 O TRP A 103 2.517 -3.441 5.567 1.00 60.03 O ATOM 1404 CB TRP A 103 -0.329 -4.029 6.959 1.00 63.14 C ATOM 1405 CG TRP A 103 -1.610 -3.662 7.618 1.00 41.51 C ATOM 1406 CD1 TRP A 103 -2.167 -4.277 8.694 1.00 10.24 C ATOM 1407 CD2 TRP A 103 -2.507 -2.626 7.239 1.00 14.23 C ATOM 1408 NE1 TRP A 103 -3.345 -3.673 9.021 1.00 62.44 N ATOM 1409 CE2 TRP A 103 -3.576 -2.653 8.143 1.00 21.33 C ATOM 1410 CE3 TRP A 103 -2.503 -1.669 6.229 1.00 2.44 C ATOM 1411 CZ2 TRP A 103 -4.625 -1.767 8.066 1.00 54.43 C ATOM 1412 CZ3 TRP A 103 -3.548 -0.790 6.154 1.00 73.34 C ATOM 1413 CH2 TRP A 103 -4.594 -0.838 7.067 1.00 23.12 C ATOM 0 H TRP A 103 0.556 -1.842 5.702 1.00 45.20 H new ATOM 0 HA TRP A 103 0.985 -3.010 8.349 1.00 32.34 H new ATOM 0 HB2 TRP A 103 -0.486 -4.027 5.880 1.00 63.14 H new ATOM 0 HB3 TRP A 103 -0.079 -5.051 7.243 1.00 63.14 H new ATOM 0 HD1 TRP A 103 -1.739 -5.121 9.214 1.00 10.24 H new ATOM 0 HE1 TRP A 103 -3.954 -3.939 9.795 1.00 62.44 H new ATOM 0 HE3 TRP A 103 -1.691 -1.621 5.519 1.00 2.44 H new ATOM 0 HZ2 TRP A 103 -5.443 -1.805 8.770 1.00 54.43 H new ATOM 0 HZ3 TRP A 103 -3.560 -0.046 5.372 1.00 73.34 H new ATOM 0 HH2 TRP A 103 -5.400 -0.124 6.984 1.00 23.12 H new ATOM 1424 N LYS A 104 2.598 -4.747 7.369 1.00 11.55 N ATOM 1425 CA LYS A 104 3.604 -5.620 6.866 1.00 30.43 C ATOM 1426 C LYS A 104 3.015 -6.992 6.912 1.00 15.42 C ATOM 1427 O LYS A 104 2.582 -7.449 7.966 1.00 52.15 O ATOM 1428 CB LYS A 104 4.923 -5.575 7.658 1.00 3.21 C ATOM 1429 CG LYS A 104 5.632 -4.223 7.661 1.00 30.14 C ATOM 1430 CD LYS A 104 5.040 -3.262 8.680 1.00 60.22 C ATOM 1431 CE LYS A 104 5.843 -1.978 8.757 1.00 15.51 C ATOM 1432 NZ LYS A 104 7.260 -2.227 9.140 1.00 10.54 N ATOM 0 H LYS A 104 2.331 -4.937 8.335 1.00 11.55 H new ATOM 0 HA LYS A 104 3.878 -5.310 5.857 1.00 30.43 H new ATOM 0 HB2 LYS A 104 4.719 -5.863 8.689 1.00 3.21 H new ATOM 0 HB3 LYS A 104 5.601 -6.322 7.246 1.00 3.21 H new ATOM 0 HG2 LYS A 104 6.690 -4.371 7.877 1.00 30.14 H new ATOM 0 HG3 LYS A 104 5.568 -3.780 6.667 1.00 30.14 H new ATOM 0 HD2 LYS A 104 4.009 -3.033 8.411 1.00 60.22 H new ATOM 0 HD3 LYS A 104 5.016 -3.738 9.660 1.00 60.22 H new ATOM 0 HE2 LYS A 104 5.812 -1.473 7.792 1.00 15.51 H new ATOM 0 HE3 LYS A 104 5.384 -1.307 9.483 1.00 15.51 H new ATOM 0 HZ1 LYS A 104 7.685 -1.345 9.492 1.00 10.54 H new ATOM 0 HZ2 LYS A 104 7.296 -2.950 9.886 1.00 10.54 H new ATOM 0 HZ3 LYS A 104 7.791 -2.560 8.310 1.00 10.54 H new ATOM 1446 N SER A 105 2.952 -7.608 5.793 1.00 13.24 N ATOM 1447 CA SER A 105 2.319 -8.877 5.635 1.00 34.23 C ATOM 1448 C SER A 105 3.196 -10.006 6.215 1.00 4.14 C ATOM 1449 O SER A 105 4.162 -9.753 6.962 1.00 32.13 O ATOM 1450 CB SER A 105 2.043 -9.058 4.146 1.00 53.04 C ATOM 1451 OG SER A 105 1.296 -10.216 3.830 1.00 50.10 O ATOM 0 H SER A 105 3.350 -7.238 4.930 1.00 13.24 H new ATOM 0 HA SER A 105 1.381 -8.921 6.188 1.00 34.23 H new ATOM 0 HB2 SER A 105 1.507 -8.183 3.779 1.00 53.04 H new ATOM 0 HB3 SER A 105 2.994 -9.097 3.614 1.00 53.04 H new ATOM 0 HG SER A 105 1.235 -10.311 2.856 1.00 50.10 H new ATOM 1457 N ALA A 106 2.846 -11.230 5.892 1.00 75.12 N ATOM 1458 CA ALA A 106 3.523 -12.388 6.399 1.00 71.24 C ATOM 1459 C ALA A 106 4.986 -12.414 6.014 1.00 42.23 C ATOM 1460 O ALA A 106 5.337 -12.320 4.835 1.00 30.41 O ATOM 1461 CB ALA A 106 2.831 -13.660 5.962 1.00 41.35 C ATOM 0 H ALA A 106 2.073 -11.446 5.262 1.00 75.12 H new ATOM 0 HA ALA A 106 3.478 -12.327 7.486 1.00 71.24 H new ATOM 0 HB1 ALA A 106 3.367 -14.521 6.361 1.00 41.35 H new ATOM 0 HB2 ALA A 106 1.807 -13.664 6.336 1.00 41.35 H new ATOM 0 HB3 ALA A 106 2.820 -13.713 4.873 1.00 41.35 H new ATOM 1467 N ALA A 107 5.827 -12.508 7.002 1.00 12.40 N ATOM 1468 CA ALA A 107 7.237 -12.638 6.771 1.00 62.44 C ATOM 1469 C ALA A 107 7.505 -14.075 6.427 1.00 63.32 C ATOM 1470 O ALA A 107 7.131 -14.987 7.178 1.00 32.21 O ATOM 1471 CB ALA A 107 8.037 -12.202 7.975 1.00 74.52 C ATOM 0 H ALA A 107 5.558 -12.497 7.986 1.00 12.40 H new ATOM 0 HA ALA A 107 7.545 -11.989 5.951 1.00 62.44 H new ATOM 0 HB1 ALA A 107 9.101 -12.314 7.765 1.00 74.52 H new ATOM 0 HB2 ALA A 107 7.819 -11.158 8.198 1.00 74.52 H new ATOM 0 HB3 ALA A 107 7.770 -12.820 8.833 1.00 74.52 H new ATOM 1477 N GLN A 108 8.112 -14.284 5.305 1.00 51.45 N ATOM 1478 CA GLN A 108 8.279 -15.604 4.756 1.00 73.25 C ATOM 1479 C GLN A 108 9.706 -15.818 4.344 1.00 64.24 C ATOM 1480 O GLN A 108 10.332 -14.933 3.754 1.00 54.12 O ATOM 1481 CB GLN A 108 7.305 -15.780 3.583 1.00 0.34 C ATOM 1482 CG GLN A 108 5.855 -15.878 4.046 1.00 74.42 C ATOM 1483 CD GLN A 108 4.840 -15.419 3.024 1.00 31.34 C ATOM 1484 OE1 GLN A 108 4.354 -16.188 2.194 1.00 21.44 O ATOM 1485 NE2 GLN A 108 4.499 -14.160 3.088 1.00 50.33 N ATOM 0 H GLN A 108 8.512 -13.541 4.732 1.00 51.45 H new ATOM 0 HA GLN A 108 8.050 -16.359 5.508 1.00 73.25 H new ATOM 0 HB2 GLN A 108 7.409 -14.939 2.897 1.00 0.34 H new ATOM 0 HB3 GLN A 108 7.568 -16.680 3.027 1.00 0.34 H new ATOM 0 HG2 GLN A 108 5.641 -16.913 4.313 1.00 74.42 H new ATOM 0 HG3 GLN A 108 5.735 -15.284 4.952 1.00 74.42 H new ATOM 0 HE21 GLN A 108 4.922 -13.552 3.789 1.00 50.33 H new ATOM 0 HE22 GLN A 108 3.809 -13.785 2.437 1.00 50.33 H new ATOM 1494 N ARG A 109 10.225 -16.966 4.669 1.00 34.23 N ATOM 1495 CA ARG A 109 11.600 -17.288 4.401 1.00 62.13 C ATOM 1496 C ARG A 109 11.731 -17.709 2.949 1.00 61.15 C ATOM 1497 O ARG A 109 11.202 -18.750 2.525 1.00 1.31 O ATOM 1498 CB ARG A 109 12.092 -18.367 5.383 1.00 4.33 C ATOM 1499 CG ARG A 109 11.856 -17.957 6.840 1.00 11.10 C ATOM 1500 CD ARG A 109 12.337 -18.984 7.852 1.00 41.42 C ATOM 1501 NE ARG A 109 13.800 -19.102 7.914 1.00 75.21 N ATOM 1502 CZ ARG A 109 14.555 -18.706 8.960 1.00 51.23 C ATOM 1503 NH1 ARG A 109 14.019 -17.955 9.923 1.00 53.12 N ATOM 1504 NH2 ARG A 109 15.852 -19.018 9.012 1.00 74.33 N ATOM 0 H ARG A 109 9.704 -17.712 5.131 1.00 34.23 H new ATOM 0 HA ARG A 109 12.236 -16.416 4.554 1.00 62.13 H new ATOM 0 HB2 ARG A 109 11.576 -19.306 5.181 1.00 4.33 H new ATOM 0 HB3 ARG A 109 13.155 -18.547 5.223 1.00 4.33 H new ATOM 0 HG2 ARG A 109 12.363 -17.010 7.028 1.00 11.10 H new ATOM 0 HG3 ARG A 109 10.791 -17.783 6.991 1.00 11.10 H new ATOM 0 HD2 ARG A 109 11.960 -18.715 8.839 1.00 41.42 H new ATOM 0 HD3 ARG A 109 11.912 -19.956 7.602 1.00 41.42 H new ATOM 0 HE ARG A 109 14.278 -19.511 7.111 1.00 75.21 H new ATOM 0 HH11 ARG A 109 13.038 -17.680 9.869 1.00 53.12 H new ATOM 0 HH12 ARG A 109 14.590 -17.656 10.714 1.00 53.12 H new ATOM 0 HH21 ARG A 109 16.277 -19.558 8.259 1.00 74.33 H new ATOM 0 HH22 ARG A 109 16.418 -18.716 9.805 1.00 74.33 H new ATOM 1518 N SER A 110 12.391 -16.882 2.190 1.00 5.23 N ATOM 1519 CA SER A 110 12.518 -17.055 0.772 1.00 3.21 C ATOM 1520 C SER A 110 13.684 -18.006 0.447 1.00 24.32 C ATOM 1521 O SER A 110 14.501 -18.342 1.326 1.00 51.22 O ATOM 1522 CB SER A 110 12.724 -15.661 0.125 1.00 72.33 C ATOM 1523 OG SER A 110 12.723 -15.714 -1.293 1.00 61.22 O ATOM 0 H SER A 110 12.865 -16.052 2.547 1.00 5.23 H new ATOM 0 HA SER A 110 11.614 -17.508 0.366 1.00 3.21 H new ATOM 0 HB2 SER A 110 11.935 -14.988 0.461 1.00 72.33 H new ATOM 0 HB3 SER A 110 13.669 -15.241 0.469 1.00 72.33 H new ATOM 0 HG SER A 110 13.555 -15.326 -1.635 1.00 61.22 H new ATOM 1529 N HIS A 111 13.780 -18.394 -0.822 1.00 15.44 N ATOM 1530 CA HIS A 111 14.815 -19.313 -1.328 1.00 52.15 C ATOM 1531 C HIS A 111 16.204 -18.647 -1.268 1.00 5.24 C ATOM 1532 O HIS A 111 17.246 -19.303 -1.365 1.00 71.42 O ATOM 1533 CB HIS A 111 14.444 -19.738 -2.772 1.00 61.24 C ATOM 1534 CG HIS A 111 15.370 -20.728 -3.434 1.00 20.02 C ATOM 1535 ND1 HIS A 111 15.322 -22.088 -3.227 1.00 43.22 N ATOM 1536 CD2 HIS A 111 16.363 -20.526 -4.337 1.00 32.41 C ATOM 1537 CE1 HIS A 111 16.255 -22.658 -3.985 1.00 11.32 C ATOM 1538 NE2 HIS A 111 16.920 -21.754 -4.684 1.00 33.45 N ATOM 0 H HIS A 111 13.134 -18.078 -1.545 1.00 15.44 H new ATOM 0 HA HIS A 111 14.861 -20.204 -0.702 1.00 52.15 H new ATOM 0 HB2 HIS A 111 13.441 -20.165 -2.756 1.00 61.24 H new ATOM 0 HB3 HIS A 111 14.400 -18.843 -3.392 1.00 61.24 H new ATOM 0 HD2 HIS A 111 16.672 -19.566 -4.724 1.00 32.41 H new ATOM 0 HE1 HIS A 111 16.444 -23.721 -4.024 1.00 11.32 H new ATOM 0 HE2 HIS A 111 17.682 -21.921 -5.341 1.00 33.45 H new ATOM 1546 N ASP A 112 16.190 -17.345 -1.065 1.00 71.24 N ATOM 1547 CA ASP A 112 17.404 -16.526 -0.954 1.00 33.24 C ATOM 1548 C ASP A 112 18.011 -16.672 0.424 1.00 61.50 C ATOM 1549 O ASP A 112 19.080 -16.136 0.694 1.00 63.51 O ATOM 1550 CB ASP A 112 17.024 -15.062 -1.047 1.00 11.21 C ATOM 1551 CG ASP A 112 16.270 -14.681 -2.261 1.00 22.41 C ATOM 1552 OD1 ASP A 112 16.883 -14.211 -3.221 1.00 65.01 O ATOM 1553 OD2 ASP A 112 15.030 -14.788 -2.247 1.00 65.13 O ATOM 0 H ASP A 112 15.328 -16.808 -0.970 1.00 71.24 H new ATOM 0 HA ASP A 112 18.090 -16.843 -1.739 1.00 33.24 H new ATOM 0 HB2 ASP A 112 16.428 -14.802 -0.172 1.00 11.21 H new ATOM 0 HB3 ASP A 112 17.934 -14.464 -1.002 1.00 11.21 H new ATOM 1558 N GLN A 113 17.300 -17.381 1.287 1.00 72.41 N ATOM 1559 CA GLN A 113 17.632 -17.556 2.700 1.00 2.35 C ATOM 1560 C GLN A 113 17.434 -16.219 3.443 1.00 72.13 C ATOM 1561 O GLN A 113 17.946 -16.006 4.535 1.00 5.13 O ATOM 1562 CB GLN A 113 19.050 -18.133 2.909 1.00 44.14 C ATOM 1563 CG GLN A 113 19.237 -18.847 4.246 1.00 61.43 C ATOM 1564 CD GLN A 113 20.613 -19.478 4.427 1.00 71.52 C ATOM 1565 OE1 GLN A 113 20.738 -20.524 5.066 1.00 51.41 O ATOM 1566 NE2 GLN A 113 21.648 -18.839 3.957 1.00 42.23 N ATOM 0 H GLN A 113 16.446 -17.869 1.018 1.00 72.41 H new ATOM 0 HA GLN A 113 16.953 -18.297 3.122 1.00 2.35 H new ATOM 0 HB2 GLN A 113 19.270 -18.831 2.102 1.00 44.14 H new ATOM 0 HB3 GLN A 113 19.776 -17.323 2.836 1.00 44.14 H new ATOM 0 HG2 GLN A 113 19.067 -18.135 5.053 1.00 61.43 H new ATOM 0 HG3 GLN A 113 18.478 -19.623 4.341 1.00 61.43 H new ATOM 0 HE21 GLN A 113 21.518 -17.975 3.431 1.00 42.23 H new ATOM 0 HE22 GLN A 113 22.587 -19.203 4.115 1.00 42.23 H new ATOM 1575 N LYS A 114 16.667 -15.324 2.841 1.00 43.44 N ATOM 1576 CA LYS A 114 16.298 -14.100 3.504 1.00 33.32 C ATOM 1577 C LYS A 114 14.816 -14.092 3.693 1.00 11.41 C ATOM 1578 O LYS A 114 14.087 -14.771 2.946 1.00 54.35 O ATOM 1579 CB LYS A 114 16.756 -12.817 2.769 1.00 54.33 C ATOM 1580 CG LYS A 114 16.155 -12.527 1.388 1.00 21.13 C ATOM 1581 CD LYS A 114 16.579 -11.131 0.937 1.00 53.01 C ATOM 1582 CE LYS A 114 15.995 -10.703 -0.419 1.00 30.43 C ATOM 1583 NZ LYS A 114 16.568 -11.438 -1.578 1.00 73.22 N ATOM 0 H LYS A 114 16.293 -15.428 1.898 1.00 43.44 H new ATOM 0 HA LYS A 114 16.819 -14.081 4.461 1.00 33.32 H new ATOM 0 HB2 LYS A 114 16.537 -11.966 3.414 1.00 54.33 H new ATOM 0 HB3 LYS A 114 17.839 -12.863 2.659 1.00 54.33 H new ATOM 0 HG2 LYS A 114 16.492 -13.273 0.668 1.00 21.13 H new ATOM 0 HG3 LYS A 114 15.068 -12.594 1.430 1.00 21.13 H new ATOM 0 HD2 LYS A 114 16.276 -10.409 1.695 1.00 53.01 H new ATOM 0 HD3 LYS A 114 17.667 -11.095 0.879 1.00 53.01 H new ATOM 0 HE2 LYS A 114 14.916 -10.853 -0.403 1.00 30.43 H new ATOM 0 HE3 LYS A 114 16.166 -9.635 -0.557 1.00 30.43 H new ATOM 0 HZ1 LYS A 114 16.915 -10.757 -2.283 1.00 73.22 H new ATOM 0 HZ2 LYS A 114 17.356 -12.035 -1.255 1.00 73.22 H new ATOM 0 HZ3 LYS A 114 15.834 -12.037 -2.007 1.00 73.22 H new ATOM 1597 N ILE A 115 14.359 -13.362 4.657 1.00 42.41 N ATOM 1598 CA ILE A 115 12.953 -13.304 4.925 1.00 55.12 C ATOM 1599 C ILE A 115 12.394 -12.163 4.123 1.00 12.25 C ATOM 1600 O ILE A 115 12.968 -11.068 4.111 1.00 61.25 O ATOM 1601 CB ILE A 115 12.639 -13.078 6.427 1.00 11.41 C ATOM 1602 CG1 ILE A 115 13.490 -13.995 7.310 1.00 52.32 C ATOM 1603 CG2 ILE A 115 11.165 -13.337 6.687 1.00 72.01 C ATOM 1604 CD1 ILE A 115 13.285 -13.784 8.797 1.00 14.11 C ATOM 0 H ILE A 115 14.938 -12.794 5.276 1.00 42.41 H new ATOM 0 HA ILE A 115 12.504 -14.259 4.652 1.00 55.12 H new ATOM 0 HB ILE A 115 12.879 -12.044 6.676 1.00 11.41 H new ATOM 0 HG12 ILE A 115 13.261 -15.032 7.066 1.00 52.32 H new ATOM 0 HG13 ILE A 115 14.542 -13.837 7.073 1.00 52.32 H new ATOM 0 HG21 ILE A 115 10.948 -13.177 7.743 1.00 72.01 H new ATOM 0 HG22 ILE A 115 10.564 -12.654 6.086 1.00 72.01 H new ATOM 0 HG23 ILE A 115 10.923 -14.365 6.419 1.00 72.01 H new ATOM 0 HD11 ILE A 115 13.923 -14.471 9.353 1.00 14.11 H new ATOM 0 HD12 ILE A 115 13.543 -12.758 9.058 1.00 14.11 H new ATOM 0 HD13 ILE A 115 12.242 -13.972 9.051 1.00 14.11 H new ATOM 1616 N ARG A 116 11.318 -12.415 3.458 1.00 1.30 N ATOM 1617 CA ARG A 116 10.702 -11.447 2.610 1.00 54.40 C ATOM 1618 C ARG A 116 9.285 -11.256 3.062 1.00 1.40 C ATOM 1619 O ARG A 116 8.638 -12.212 3.504 1.00 21.13 O ATOM 1620 CB ARG A 116 10.706 -11.919 1.145 1.00 41.21 C ATOM 1621 CG ARG A 116 10.176 -10.871 0.172 1.00 70.41 C ATOM 1622 CD ARG A 116 9.979 -11.409 -1.239 1.00 15.03 C ATOM 1623 NE ARG A 116 11.199 -11.991 -1.835 1.00 13.41 N ATOM 1624 CZ ARG A 116 12.137 -11.297 -2.512 1.00 52.23 C ATOM 1625 NH1 ARG A 116 12.209 -9.973 -2.410 1.00 14.05 N ATOM 1626 NH2 ARG A 116 13.041 -11.937 -3.240 1.00 44.24 N ATOM 0 H ARG A 116 10.833 -13.312 3.487 1.00 1.30 H new ATOM 0 HA ARG A 116 11.259 -10.512 2.671 1.00 54.40 H new ATOM 0 HB2 ARG A 116 11.723 -12.188 0.860 1.00 41.21 H new ATOM 0 HB3 ARG A 116 10.102 -12.822 1.060 1.00 41.21 H new ATOM 0 HG2 ARG A 116 9.226 -10.487 0.544 1.00 70.41 H new ATOM 0 HG3 ARG A 116 10.869 -10.030 0.140 1.00 70.41 H new ATOM 0 HD2 ARG A 116 9.197 -12.169 -1.222 1.00 15.03 H new ATOM 0 HD3 ARG A 116 9.624 -10.601 -1.879 1.00 15.03 H new ATOM 0 HE ARG A 116 11.343 -12.995 -1.726 1.00 13.41 H new ATOM 0 HH11 ARG A 116 11.550 -9.471 -1.815 1.00 14.05 H new ATOM 0 HH12 ARG A 116 12.923 -9.460 -2.927 1.00 14.05 H new ATOM 0 HH21 ARG A 116 13.028 -12.956 -3.289 1.00 44.24 H new ATOM 0 HH22 ARG A 116 13.750 -11.411 -3.751 1.00 44.24 H new ATOM 1640 N TRP A 117 8.823 -10.062 2.978 1.00 2.11 N ATOM 1641 CA TRP A 117 7.484 -9.739 3.305 1.00 42.00 C ATOM 1642 C TRP A 117 6.978 -8.729 2.321 1.00 11.04 C ATOM 1643 O TRP A 117 7.711 -8.264 1.444 1.00 53.14 O ATOM 1644 CB TRP A 117 7.331 -9.250 4.769 1.00 53.34 C ATOM 1645 CG TRP A 117 8.251 -8.132 5.171 1.00 41.22 C ATOM 1646 CD1 TRP A 117 8.010 -6.789 5.092 1.00 53.05 C ATOM 1647 CD2 TRP A 117 9.557 -8.273 5.738 1.00 11.11 C ATOM 1648 NE1 TRP A 117 9.092 -6.091 5.572 1.00 71.12 N ATOM 1649 CE2 TRP A 117 10.056 -6.983 5.970 1.00 1.33 C ATOM 1650 CE3 TRP A 117 10.353 -9.373 6.070 1.00 63.33 C ATOM 1651 CZ2 TRP A 117 11.317 -6.764 6.517 1.00 52.35 C ATOM 1652 CZ3 TRP A 117 11.597 -9.151 6.613 1.00 74.42 C ATOM 1653 CH2 TRP A 117 12.067 -7.858 6.829 1.00 0.31 C ATOM 0 H TRP A 117 9.379 -9.264 2.673 1.00 2.11 H new ATOM 0 HA TRP A 117 6.879 -10.643 3.238 1.00 42.00 H new ATOM 0 HB2 TRP A 117 6.302 -8.924 4.920 1.00 53.34 H new ATOM 0 HB3 TRP A 117 7.499 -10.095 5.437 1.00 53.34 H new ATOM 0 HD1 TRP A 117 7.104 -6.343 4.709 1.00 53.05 H new ATOM 0 HE1 TRP A 117 9.167 -5.075 5.624 1.00 71.12 H new ATOM 0 HE3 TRP A 117 9.998 -10.379 5.903 1.00 63.33 H new ATOM 0 HZ2 TRP A 117 11.687 -5.764 6.688 1.00 52.35 H new ATOM 0 HZ3 TRP A 117 12.220 -9.993 6.876 1.00 74.42 H new ATOM 0 HH2 TRP A 117 13.050 -7.719 7.254 1.00 0.31 H new ATOM 1664 N ASP A 118 5.765 -8.444 2.410 1.00 74.21 N ATOM 1665 CA ASP A 118 5.166 -7.491 1.565 1.00 52.23 C ATOM 1666 C ASP A 118 4.521 -6.455 2.397 1.00 71.30 C ATOM 1667 O ASP A 118 4.065 -6.740 3.495 1.00 34.22 O ATOM 1668 CB ASP A 118 4.224 -8.145 0.529 1.00 2.43 C ATOM 1669 CG ASP A 118 3.295 -9.208 1.064 1.00 74.22 C ATOM 1670 OD1 ASP A 118 3.789 -10.334 1.366 1.00 30.43 O ATOM 1671 OD2 ASP A 118 2.079 -9.014 1.085 1.00 11.35 O ATOM 0 H ASP A 118 5.128 -8.868 3.085 1.00 74.21 H new ATOM 0 HA ASP A 118 5.928 -7.001 0.959 1.00 52.23 H new ATOM 0 HB2 ASP A 118 3.622 -7.362 0.068 1.00 2.43 H new ATOM 0 HB3 ASP A 118 4.833 -8.585 -0.261 1.00 2.43 H new ATOM 1676 N GLU A 119 4.519 -5.253 1.931 1.00 31.22 N ATOM 1677 CA GLU A 119 3.980 -4.182 2.724 1.00 32.42 C ATOM 1678 C GLU A 119 2.755 -3.642 2.075 1.00 34.31 C ATOM 1679 O GLU A 119 2.627 -3.660 0.847 1.00 75.31 O ATOM 1680 CB GLU A 119 5.006 -3.072 2.980 1.00 10.30 C ATOM 1681 CG GLU A 119 6.236 -3.532 3.746 1.00 34.33 C ATOM 1682 CD GLU A 119 7.146 -2.391 4.127 1.00 5.24 C ATOM 1683 OE1 GLU A 119 7.120 -1.957 5.292 1.00 73.13 O ATOM 1684 OE2 GLU A 119 7.899 -1.891 3.268 1.00 31.32 O ATOM 0 H GLU A 119 4.878 -4.980 1.016 1.00 31.22 H new ATOM 0 HA GLU A 119 3.717 -4.589 3.701 1.00 32.42 H new ATOM 0 HB2 GLU A 119 5.321 -2.655 2.024 1.00 10.30 H new ATOM 0 HB3 GLU A 119 4.524 -2.267 3.536 1.00 10.30 H new ATOM 0 HG2 GLU A 119 5.922 -4.057 4.648 1.00 34.33 H new ATOM 0 HG3 GLU A 119 6.791 -4.246 3.138 1.00 34.33 H new ATOM 1691 N ALA A 120 1.856 -3.197 2.880 1.00 24.32 N ATOM 1692 CA ALA A 120 0.582 -2.758 2.400 1.00 64.45 C ATOM 1693 C ALA A 120 0.218 -1.417 2.969 1.00 64.21 C ATOM 1694 O ALA A 120 0.109 -1.262 4.159 1.00 23.44 O ATOM 1695 CB ALA A 120 -0.460 -3.786 2.755 1.00 31.03 C ATOM 0 H ALA A 120 1.977 -3.125 3.890 1.00 24.32 H new ATOM 0 HA ALA A 120 0.632 -2.648 1.317 1.00 64.45 H new ATOM 0 HB1 ALA A 120 -1.434 -3.457 2.392 1.00 31.03 H new ATOM 0 HB2 ALA A 120 -0.203 -4.739 2.293 1.00 31.03 H new ATOM 0 HB3 ALA A 120 -0.498 -3.906 3.838 1.00 31.03 H new ATOM 1701 N GLU A 121 0.026 -0.476 2.118 1.00 74.43 N ATOM 1702 CA GLU A 121 -0.326 0.872 2.503 1.00 13.44 C ATOM 1703 C GLU A 121 -1.769 1.131 2.070 1.00 63.55 C ATOM 1704 O GLU A 121 -2.074 1.052 0.899 1.00 1.34 O ATOM 1705 CB GLU A 121 0.602 1.897 1.806 1.00 53.54 C ATOM 1706 CG GLU A 121 2.099 1.700 2.051 1.00 73.41 C ATOM 1707 CD GLU A 121 2.955 2.790 1.418 1.00 60.22 C ATOM 1708 OE1 GLU A 121 3.503 2.597 0.309 1.00 1.44 O ATOM 1709 OE2 GLU A 121 3.102 3.876 2.032 1.00 0.53 O ATOM 0 H GLU A 121 0.107 -0.608 1.110 1.00 74.43 H new ATOM 0 HA GLU A 121 -0.217 0.981 3.582 1.00 13.44 H new ATOM 0 HB2 GLU A 121 0.418 1.856 0.732 1.00 53.54 H new ATOM 0 HB3 GLU A 121 0.325 2.897 2.139 1.00 53.54 H new ATOM 0 HG2 GLU A 121 2.286 1.677 3.125 1.00 73.41 H new ATOM 0 HG3 GLU A 121 2.402 0.731 1.654 1.00 73.41 H new ATOM 1716 N ALA A 122 -2.650 1.394 2.988 1.00 12.44 N ATOM 1717 CA ALA A 122 -4.020 1.692 2.628 1.00 11.45 C ATOM 1718 C ALA A 122 -4.292 3.161 2.797 1.00 13.32 C ATOM 1719 O ALA A 122 -3.898 3.770 3.807 1.00 21.24 O ATOM 1720 CB ALA A 122 -5.022 0.851 3.391 1.00 55.35 C ATOM 0 H ALA A 122 -2.455 1.411 3.989 1.00 12.44 H new ATOM 0 HA ALA A 122 -4.146 1.430 1.578 1.00 11.45 H new ATOM 0 HB1 ALA A 122 -6.032 1.117 3.080 1.00 55.35 H new ATOM 0 HB2 ALA A 122 -4.845 -0.204 3.183 1.00 55.35 H new ATOM 0 HB3 ALA A 122 -4.911 1.034 4.460 1.00 55.35 H new ATOM 1726 N TYR A 123 -4.938 3.725 1.808 1.00 63.45 N ATOM 1727 CA TYR A 123 -5.194 5.145 1.736 1.00 53.12 C ATOM 1728 C TYR A 123 -6.697 5.425 1.696 1.00 1.31 C ATOM 1729 O TYR A 123 -7.397 5.013 0.760 1.00 30.41 O ATOM 1730 CB TYR A 123 -4.590 5.696 0.443 1.00 35.41 C ATOM 1731 CG TYR A 123 -3.159 5.292 0.177 1.00 32.25 C ATOM 1732 CD1 TYR A 123 -2.847 4.100 -0.516 1.00 4.44 C ATOM 1733 CD2 TYR A 123 -2.119 6.102 0.584 1.00 4.13 C ATOM 1734 CE1 TYR A 123 -1.540 3.772 -0.770 1.00 41.30 C ATOM 1735 CE2 TYR A 123 -0.812 5.763 0.331 1.00 61.11 C ATOM 1736 CZ TYR A 123 -0.526 4.603 -0.345 1.00 22.32 C ATOM 1737 OH TYR A 123 0.783 4.279 -0.611 1.00 31.30 O ATOM 0 H TYR A 123 -5.308 3.202 1.014 1.00 63.45 H new ATOM 0 HA TYR A 123 -4.754 5.616 2.615 1.00 53.12 H new ATOM 0 HB2 TYR A 123 -5.205 5.368 -0.395 1.00 35.41 H new ATOM 0 HB3 TYR A 123 -4.644 6.784 0.471 1.00 35.41 H new ATOM 0 HD1 TYR A 123 -3.640 3.446 -0.846 1.00 4.44 H new ATOM 0 HD2 TYR A 123 -2.336 7.019 1.111 1.00 4.13 H new ATOM 0 HE1 TYR A 123 -1.305 2.863 -1.303 1.00 41.30 H new ATOM 0 HE2 TYR A 123 -0.012 6.407 0.663 1.00 61.11 H new ATOM 0 HH TYR A 123 1.372 4.970 -0.243 1.00 31.30 H new ATOM 1747 N ILE A 124 -7.182 6.122 2.664 1.00 45.14 N ATOM 1748 CA ILE A 124 -8.587 6.532 2.698 1.00 44.04 C ATOM 1749 C ILE A 124 -8.588 8.024 2.735 1.00 5.53 C ATOM 1750 O ILE A 124 -7.698 8.590 3.322 1.00 14.50 O ATOM 1751 CB ILE A 124 -9.296 6.040 3.990 1.00 4.01 C ATOM 1752 CG1 ILE A 124 -9.264 4.534 4.107 1.00 12.33 C ATOM 1753 CG2 ILE A 124 -10.741 6.558 4.104 1.00 41.51 C ATOM 1754 CD1 ILE A 124 -9.958 4.039 5.359 1.00 45.30 C ATOM 0 H ILE A 124 -6.635 6.436 3.466 1.00 45.14 H new ATOM 0 HA ILE A 124 -9.107 6.115 1.836 1.00 44.04 H new ATOM 0 HB ILE A 124 -8.732 6.460 4.822 1.00 4.01 H new ATOM 0 HG12 ILE A 124 -9.741 4.094 3.232 1.00 12.33 H new ATOM 0 HG13 ILE A 124 -8.228 4.194 4.110 1.00 12.33 H new ATOM 0 HG21 ILE A 124 -11.190 6.185 5.024 1.00 41.51 H new ATOM 0 HG22 ILE A 124 -10.737 7.648 4.118 1.00 41.51 H new ATOM 0 HG23 ILE A 124 -11.321 6.209 3.250 1.00 41.51 H new ATOM 0 HD11 ILE A 124 -9.908 2.951 5.397 1.00 45.30 H new ATOM 0 HD12 ILE A 124 -9.465 4.456 6.237 1.00 45.30 H new ATOM 0 HD13 ILE A 124 -11.001 4.354 5.345 1.00 45.30 H new ATOM 1766 N TRP A 125 -9.527 8.673 2.126 1.00 4.45 N ATOM 1767 CA TRP A 125 -9.559 10.082 2.275 1.00 31.35 C ATOM 1768 C TRP A 125 -10.897 10.483 2.813 1.00 31.31 C ATOM 1769 O TRP A 125 -11.942 9.851 2.480 1.00 61.02 O ATOM 1770 CB TRP A 125 -9.174 10.851 0.972 1.00 53.44 C ATOM 1771 CG TRP A 125 -10.310 11.257 0.060 1.00 13.41 C ATOM 1772 CD1 TRP A 125 -10.762 12.530 -0.144 1.00 53.12 C ATOM 1773 CD2 TRP A 125 -11.133 10.411 -0.752 1.00 30.05 C ATOM 1774 NE1 TRP A 125 -11.802 12.529 -1.030 1.00 73.51 N ATOM 1775 CE2 TRP A 125 -12.054 11.242 -1.418 1.00 1.23 C ATOM 1776 CE3 TRP A 125 -11.182 9.042 -0.977 1.00 1.43 C ATOM 1777 CZ2 TRP A 125 -13.008 10.741 -2.295 1.00 62.42 C ATOM 1778 CZ3 TRP A 125 -12.124 8.543 -1.841 1.00 61.35 C ATOM 1779 CH2 TRP A 125 -13.029 9.391 -2.494 1.00 75.11 C ATOM 0 H TRP A 125 -10.256 8.264 1.541 1.00 4.45 H new ATOM 0 HA TRP A 125 -8.789 10.370 2.990 1.00 31.35 H new ATOM 0 HB2 TRP A 125 -8.629 11.751 1.257 1.00 53.44 H new ATOM 0 HB3 TRP A 125 -8.485 10.228 0.401 1.00 53.44 H new ATOM 0 HD1 TRP A 125 -10.355 13.412 0.328 1.00 53.12 H new ATOM 0 HE1 TRP A 125 -12.308 13.354 -1.350 1.00 73.51 H new ATOM 0 HE3 TRP A 125 -10.489 8.380 -0.479 1.00 1.43 H new ATOM 0 HZ2 TRP A 125 -13.705 11.394 -2.799 1.00 62.42 H new ATOM 0 HZ3 TRP A 125 -12.169 7.479 -2.021 1.00 61.35 H new ATOM 0 HH2 TRP A 125 -13.758 8.967 -3.169 1.00 75.11 H new ATOM 1790 N ARG A 126 -10.883 11.429 3.708 1.00 42.15 N ATOM 1791 CA ARG A 126 -12.089 11.980 4.166 1.00 33.54 C ATOM 1792 C ARG A 126 -12.454 13.052 3.190 1.00 42.01 C ATOM 1793 O ARG A 126 -11.676 13.980 2.942 1.00 22.52 O ATOM 1794 CB ARG A 126 -12.009 12.535 5.603 1.00 34.55 C ATOM 1795 CG ARG A 126 -13.358 13.079 6.094 1.00 21.13 C ATOM 1796 CD ARG A 126 -13.312 13.644 7.504 1.00 2.24 C ATOM 1797 NE ARG A 126 -12.965 12.638 8.521 1.00 60.11 N ATOM 1798 CZ ARG A 126 -13.440 12.625 9.777 1.00 53.42 C ATOM 1799 NH1 ARG A 126 -14.352 13.512 10.173 1.00 31.33 N ATOM 1800 NH2 ARG A 126 -13.005 11.720 10.642 1.00 22.32 N ATOM 0 H ARG A 126 -10.040 11.823 4.125 1.00 42.15 H new ATOM 0 HA ARG A 126 -12.849 11.201 4.220 1.00 33.54 H new ATOM 0 HB2 ARG A 126 -11.671 11.747 6.276 1.00 34.55 H new ATOM 0 HB3 ARG A 126 -11.264 13.329 5.642 1.00 34.55 H new ATOM 0 HG2 ARG A 126 -13.696 13.858 5.411 1.00 21.13 H new ATOM 0 HG3 ARG A 126 -14.098 12.279 6.056 1.00 21.13 H new ATOM 0 HD2 ARG A 126 -12.584 14.454 7.540 1.00 2.24 H new ATOM 0 HD3 ARG A 126 -14.282 14.077 7.747 1.00 2.24 H new ATOM 0 HE ARG A 126 -12.317 11.897 8.252 1.00 60.11 H new ATOM 0 HH11 ARG A 126 -14.699 14.213 9.519 1.00 31.33 H new ATOM 0 HH12 ARG A 126 -14.703 13.489 11.130 1.00 31.33 H new ATOM 0 HH21 ARG A 126 -12.309 11.032 10.354 1.00 22.32 H new ATOM 0 HH22 ARG A 126 -13.366 11.711 11.596 1.00 22.32 H new ATOM 1814 N ARG A 127 -13.579 12.884 2.601 1.00 13.24 N ATOM 1815 CA ARG A 127 -14.106 13.783 1.643 1.00 4.11 C ATOM 1816 C ARG A 127 -14.493 15.055 2.387 1.00 3.20 C ATOM 1817 O ARG A 127 -14.866 14.991 3.564 1.00 54.20 O ATOM 1818 CB ARG A 127 -15.325 13.122 0.981 1.00 73.53 C ATOM 1819 CG ARG A 127 -16.023 13.955 -0.065 1.00 10.32 C ATOM 1820 CD ARG A 127 -17.237 13.236 -0.610 1.00 21.25 C ATOM 1821 NE ARG A 127 -18.015 14.103 -1.490 1.00 70.02 N ATOM 1822 CZ ARG A 127 -19.124 13.743 -2.135 1.00 21.51 C ATOM 1823 NH1 ARG A 127 -19.595 12.513 -2.016 1.00 44.21 N ATOM 1824 NH2 ARG A 127 -19.763 14.618 -2.900 1.00 11.44 N ATOM 0 H ARG A 127 -14.184 12.082 2.781 1.00 13.24 H new ATOM 0 HA ARG A 127 -13.387 14.028 0.861 1.00 4.11 H new ATOM 0 HB2 ARG A 127 -15.005 12.186 0.522 1.00 73.53 H new ATOM 0 HB3 ARG A 127 -16.045 12.866 1.758 1.00 73.53 H new ATOM 0 HG2 ARG A 127 -16.325 14.909 0.367 1.00 10.32 H new ATOM 0 HG3 ARG A 127 -15.332 14.177 -0.878 1.00 10.32 H new ATOM 0 HD2 ARG A 127 -16.921 12.348 -1.157 1.00 21.25 H new ATOM 0 HD3 ARG A 127 -17.862 12.896 0.216 1.00 21.25 H new ATOM 0 HE ARG A 127 -17.684 15.059 -1.621 1.00 70.02 H new ATOM 0 HH11 ARG A 127 -19.109 11.835 -1.429 1.00 44.21 H new ATOM 0 HH12 ARG A 127 -20.444 12.242 -2.512 1.00 44.21 H new ATOM 0 HH21 ARG A 127 -19.406 15.569 -2.995 1.00 11.44 H new ATOM 0 HH22 ARG A 127 -20.612 14.340 -3.393 1.00 11.44 H new ATOM 1838 N LYS A 128 -14.413 16.193 1.723 1.00 42.04 N ATOM 1839 CA LYS A 128 -14.709 17.493 2.347 1.00 74.14 C ATOM 1840 C LYS A 128 -16.162 17.541 2.864 1.00 64.21 C ATOM 1841 O LYS A 128 -16.503 18.308 3.762 1.00 52.34 O ATOM 1842 CB LYS A 128 -14.424 18.623 1.352 1.00 2.42 C ATOM 1843 CG LYS A 128 -14.552 20.019 1.932 1.00 12.32 C ATOM 1844 CD LYS A 128 -14.166 21.068 0.913 1.00 45.03 C ATOM 1845 CE LYS A 128 -14.345 22.471 1.461 1.00 35.03 C ATOM 1846 NZ LYS A 128 -13.910 23.491 0.493 1.00 12.44 N ATOM 0 H LYS A 128 -14.144 16.255 0.741 1.00 42.04 H new ATOM 0 HA LYS A 128 -14.059 17.627 3.212 1.00 74.14 H new ATOM 0 HB2 LYS A 128 -13.415 18.498 0.959 1.00 2.42 H new ATOM 0 HB3 LYS A 128 -15.109 18.529 0.509 1.00 2.42 H new ATOM 0 HG2 LYS A 128 -15.577 20.187 2.261 1.00 12.32 H new ATOM 0 HG3 LYS A 128 -13.916 20.111 2.812 1.00 12.32 H new ATOM 0 HD2 LYS A 128 -13.127 20.923 0.616 1.00 45.03 H new ATOM 0 HD3 LYS A 128 -14.774 20.947 0.017 1.00 45.03 H new ATOM 0 HE2 LYS A 128 -15.393 22.632 1.714 1.00 35.03 H new ATOM 0 HE3 LYS A 128 -13.774 22.577 2.384 1.00 35.03 H new ATOM 0 HZ1 LYS A 128 -14.047 24.438 0.901 1.00 12.44 H new ATOM 0 HZ2 LYS A 128 -12.904 23.352 0.271 1.00 12.44 H new ATOM 0 HZ3 LYS A 128 -14.472 23.405 -0.378 1.00 12.44 H new ATOM 1860 N ASP A 129 -16.976 16.659 2.318 1.00 23.23 N ATOM 1861 CA ASP A 129 -18.372 16.462 2.714 1.00 62.14 C ATOM 1862 C ASP A 129 -18.474 15.940 4.163 1.00 52.35 C ATOM 1863 O ASP A 129 -19.501 16.104 4.825 1.00 24.23 O ATOM 1864 CB ASP A 129 -18.954 15.398 1.773 1.00 41.14 C ATOM 1865 CG ASP A 129 -20.369 14.983 2.076 1.00 71.15 C ATOM 1866 OD1 ASP A 129 -20.558 14.053 2.881 1.00 34.45 O ATOM 1867 OD2 ASP A 129 -21.307 15.536 1.471 1.00 72.20 O ATOM 0 H ASP A 129 -16.684 16.038 1.564 1.00 23.23 H new ATOM 0 HA ASP A 129 -18.909 17.409 2.656 1.00 62.14 H new ATOM 0 HB2 ASP A 129 -18.914 15.777 0.752 1.00 41.14 H new ATOM 0 HB3 ASP A 129 -18.317 14.514 1.810 1.00 41.14 H new ATOM 1872 N GLY A 130 -17.378 15.409 4.676 1.00 55.11 N ATOM 1873 CA GLY A 130 -17.371 14.842 6.008 1.00 1.21 C ATOM 1874 C GLY A 130 -17.333 13.338 5.959 1.00 0.04 C ATOM 1875 O GLY A 130 -16.939 12.680 6.921 1.00 52.54 O ATOM 0 H GLY A 130 -16.483 15.360 4.189 1.00 55.11 H new ATOM 0 HA2 GLY A 130 -16.507 15.212 6.559 1.00 1.21 H new ATOM 0 HA3 GLY A 130 -18.259 15.169 6.550 1.00 1.21 H new ATOM 1879 N SER A 131 -17.744 12.805 4.834 1.00 0.13 N ATOM 1880 CA SER A 131 -17.758 11.408 4.587 1.00 75.23 C ATOM 1881 C SER A 131 -16.345 10.945 4.254 1.00 63.21 C ATOM 1882 O SER A 131 -15.461 11.752 4.068 1.00 2.05 O ATOM 1883 CB SER A 131 -18.690 11.141 3.409 1.00 61.14 C ATOM 1884 OG SER A 131 -20.019 11.604 3.677 1.00 24.13 O ATOM 0 H SER A 131 -18.086 13.360 4.049 1.00 0.13 H new ATOM 0 HA SER A 131 -18.109 10.865 5.464 1.00 75.23 H new ATOM 0 HB2 SER A 131 -18.304 11.636 2.518 1.00 61.14 H new ATOM 0 HB3 SER A 131 -18.712 10.072 3.196 1.00 61.14 H new ATOM 0 HG SER A 131 -20.198 12.409 3.148 1.00 24.13 H new ATOM 1890 N CYS A 132 -16.149 9.685 4.171 1.00 63.04 N ATOM 1891 CA CYS A 132 -14.846 9.136 3.843 1.00 34.05 C ATOM 1892 C CYS A 132 -15.015 7.958 2.922 1.00 72.11 C ATOM 1893 O CYS A 132 -16.047 7.275 2.968 1.00 35.43 O ATOM 1894 CB CYS A 132 -14.106 8.703 5.106 1.00 73.34 C ATOM 1895 SG CYS A 132 -14.955 7.417 6.039 1.00 32.40 S ATOM 0 H CYS A 132 -16.874 8.985 4.325 1.00 63.04 H new ATOM 0 HA CYS A 132 -14.257 9.908 3.348 1.00 34.05 H new ATOM 0 HB2 CYS A 132 -13.114 8.345 4.830 1.00 73.34 H new ATOM 0 HB3 CYS A 132 -13.964 9.572 5.749 1.00 73.34 H new ATOM 0 HG CYS A 132 -14.080 6.681 6.658 1.00 32.40 H new ATOM 1901 N TRP A 133 -14.034 7.714 2.096 1.00 5.43 N ATOM 1902 CA TRP A 133 -14.087 6.622 1.173 1.00 71.12 C ATOM 1903 C TRP A 133 -12.662 6.188 0.897 1.00 10.43 C ATOM 1904 O TRP A 133 -11.726 6.971 1.110 1.00 52.22 O ATOM 1905 CB TRP A 133 -14.804 7.061 -0.121 1.00 3.21 C ATOM 1906 CG TRP A 133 -15.410 5.929 -0.896 1.00 71.32 C ATOM 1907 CD1 TRP A 133 -16.341 5.067 -0.430 1.00 55.42 C ATOM 1908 CD2 TRP A 133 -15.176 5.568 -2.269 1.00 62.35 C ATOM 1909 NE1 TRP A 133 -16.692 4.168 -1.409 1.00 12.42 N ATOM 1910 CE2 TRP A 133 -15.996 4.459 -2.547 1.00 13.31 C ATOM 1911 CE3 TRP A 133 -14.358 6.066 -3.284 1.00 13.33 C ATOM 1912 CZ2 TRP A 133 -16.020 3.842 -3.795 1.00 20.45 C ATOM 1913 CZ3 TRP A 133 -14.387 5.453 -4.520 1.00 0.33 C ATOM 1914 CH2 TRP A 133 -15.213 4.353 -4.765 1.00 74.10 C ATOM 0 H TRP A 133 -13.179 8.268 2.047 1.00 5.43 H new ATOM 0 HA TRP A 133 -14.651 5.785 1.586 1.00 71.12 H new ATOM 0 HB2 TRP A 133 -15.588 7.774 0.134 1.00 3.21 H new ATOM 0 HB3 TRP A 133 -14.092 7.585 -0.759 1.00 3.21 H new ATOM 0 HD1 TRP A 133 -16.751 5.082 0.569 1.00 55.42 H new ATOM 0 HE1 TRP A 133 -17.363 3.407 -1.303 1.00 12.42 H new ATOM 0 HE3 TRP A 133 -13.715 6.915 -3.106 1.00 13.33 H new ATOM 0 HZ2 TRP A 133 -16.655 2.990 -3.986 1.00 20.45 H new ATOM 0 HZ3 TRP A 133 -13.759 5.831 -5.313 1.00 0.33 H new ATOM 0 HH2 TRP A 133 -15.211 3.898 -5.745 1.00 74.10 H new ATOM 1925 N LEU A 134 -12.473 4.954 0.505 1.00 45.54 N ATOM 1926 CA LEU A 134 -11.153 4.457 0.203 1.00 25.33 C ATOM 1927 C LEU A 134 -10.623 5.109 -1.045 1.00 15.42 C ATOM 1928 O LEU A 134 -11.248 5.062 -2.110 1.00 51.21 O ATOM 1929 CB LEU A 134 -11.096 2.922 0.090 1.00 43.41 C ATOM 1930 CG LEU A 134 -11.068 2.113 1.403 1.00 61.12 C ATOM 1931 CD1 LEU A 134 -12.337 2.280 2.227 1.00 32.25 C ATOM 1932 CD2 LEU A 134 -10.798 0.651 1.107 1.00 72.01 C ATOM 0 H LEU A 134 -13.221 4.270 0.387 1.00 45.54 H new ATOM 0 HA LEU A 134 -10.514 4.723 1.045 1.00 25.33 H new ATOM 0 HB2 LEU A 134 -11.960 2.595 -0.489 1.00 43.41 H new ATOM 0 HB3 LEU A 134 -10.209 2.660 -0.486 1.00 43.41 H new ATOM 0 HG LEU A 134 -10.256 2.511 2.012 1.00 61.12 H new ATOM 0 HD11 LEU A 134 -12.259 1.688 3.139 1.00 32.25 H new ATOM 0 HD12 LEU A 134 -12.467 3.331 2.487 1.00 32.25 H new ATOM 0 HD13 LEU A 134 -13.195 1.941 1.646 1.00 32.25 H new ATOM 0 HD21 LEU A 134 -10.780 0.088 2.040 1.00 72.01 H new ATOM 0 HD22 LEU A 134 -11.584 0.259 0.462 1.00 72.01 H new ATOM 0 HD23 LEU A 134 -9.835 0.553 0.606 1.00 72.01 H new ATOM 1944 N HIS A 135 -9.484 5.715 -0.909 1.00 22.04 N ATOM 1945 CA HIS A 135 -8.878 6.440 -1.977 1.00 74.41 C ATOM 1946 C HIS A 135 -8.116 5.466 -2.849 1.00 35.52 C ATOM 1947 O HIS A 135 -8.332 5.384 -4.062 1.00 41.13 O ATOM 1948 CB HIS A 135 -7.943 7.523 -1.400 1.00 13.35 C ATOM 1949 CG HIS A 135 -7.358 8.469 -2.408 1.00 12.30 C ATOM 1950 ND1 HIS A 135 -8.021 9.574 -2.899 1.00 72.41 N ATOM 1951 CD2 HIS A 135 -6.133 8.481 -2.987 1.00 54.31 C ATOM 1952 CE1 HIS A 135 -7.201 10.210 -3.735 1.00 1.02 C ATOM 1953 NE2 HIS A 135 -6.034 9.586 -3.826 1.00 23.11 N ATOM 0 H HIS A 135 -8.945 5.719 -0.043 1.00 22.04 H new ATOM 0 HA HIS A 135 -9.636 6.938 -2.582 1.00 74.41 H new ATOM 0 HB2 HIS A 135 -8.497 8.102 -0.662 1.00 13.35 H new ATOM 0 HB3 HIS A 135 -7.127 7.031 -0.872 1.00 13.35 H new ATOM 0 HD2 HIS A 135 -5.356 7.749 -2.823 1.00 54.31 H new ATOM 0 HE1 HIS A 135 -7.453 11.115 -4.268 1.00 1.02 H new ATOM 0 HE2 HIS A 135 -5.231 9.859 -4.393 1.00 23.11 H new ATOM 1961 N SER A 136 -7.297 4.670 -2.206 1.00 12.32 N ATOM 1962 CA SER A 136 -6.457 3.722 -2.872 1.00 74.11 C ATOM 1963 C SER A 136 -5.841 2.825 -1.833 1.00 41.31 C ATOM 1964 O SER A 136 -5.946 3.101 -0.655 1.00 20.13 O ATOM 1965 CB SER A 136 -5.372 4.451 -3.699 1.00 2.53 C ATOM 1966 OG SER A 136 -4.681 5.401 -2.907 1.00 21.34 O ATOM 0 H SER A 136 -7.199 4.667 -1.191 1.00 12.32 H new ATOM 0 HA SER A 136 -7.043 3.121 -3.567 1.00 74.11 H new ATOM 0 HB2 SER A 136 -4.666 3.724 -4.100 1.00 2.53 H new ATOM 0 HB3 SER A 136 -5.834 4.950 -4.551 1.00 2.53 H new ATOM 0 HG SER A 136 -4.148 4.936 -2.229 1.00 21.34 H new ATOM 1972 N VAL A 137 -5.282 1.756 -2.242 1.00 73.13 N ATOM 1973 CA VAL A 137 -4.572 0.858 -1.374 1.00 23.50 C ATOM 1974 C VAL A 137 -3.417 0.363 -2.200 1.00 52.22 C ATOM 1975 O VAL A 137 -3.564 0.201 -3.389 1.00 43.21 O ATOM 1976 CB VAL A 137 -5.435 -0.354 -0.958 1.00 41.13 C ATOM 1977 CG1 VAL A 137 -4.691 -1.277 -0.004 1.00 2.33 C ATOM 1978 CG2 VAL A 137 -6.791 0.033 -0.372 1.00 11.21 C ATOM 0 H VAL A 137 -5.296 1.457 -3.217 1.00 73.13 H new ATOM 0 HA VAL A 137 -4.276 1.365 -0.456 1.00 23.50 H new ATOM 0 HB VAL A 137 -5.634 -0.893 -1.884 1.00 41.13 H new ATOM 0 HG11 VAL A 137 -5.332 -2.116 0.264 1.00 2.33 H new ATOM 0 HG12 VAL A 137 -3.789 -1.650 -0.488 1.00 2.33 H new ATOM 0 HG13 VAL A 137 -4.418 -0.726 0.896 1.00 2.33 H new ATOM 0 HG21 VAL A 137 -7.342 -0.868 -0.103 1.00 11.21 H new ATOM 0 HG22 VAL A 137 -6.642 0.646 0.517 1.00 11.21 H new ATOM 0 HG23 VAL A 137 -7.359 0.598 -1.111 1.00 11.21 H new ATOM 1988 N LYS A 138 -2.306 0.173 -1.610 1.00 74.12 N ATOM 1989 CA LYS A 138 -1.122 -0.228 -2.320 1.00 1.43 C ATOM 1990 C LYS A 138 -0.445 -1.407 -1.626 1.00 74.40 C ATOM 1991 O LYS A 138 -0.229 -1.380 -0.425 1.00 32.32 O ATOM 1992 CB LYS A 138 -0.199 0.967 -2.333 1.00 53.04 C ATOM 1993 CG LYS A 138 1.154 0.773 -2.948 1.00 50.43 C ATOM 1994 CD LYS A 138 1.996 1.977 -2.591 1.00 53.40 C ATOM 1995 CE LYS A 138 3.450 1.805 -2.919 1.00 40.14 C ATOM 1996 NZ LYS A 138 4.243 2.859 -2.269 1.00 11.44 N ATOM 0 H LYS A 138 -2.172 0.288 -0.605 1.00 74.12 H new ATOM 0 HA LYS A 138 -1.371 -0.549 -3.332 1.00 1.43 H new ATOM 0 HB2 LYS A 138 -0.700 1.777 -2.864 1.00 53.04 H new ATOM 0 HB3 LYS A 138 -0.059 1.299 -1.304 1.00 53.04 H new ATOM 0 HG2 LYS A 138 1.616 -0.141 -2.576 1.00 50.43 H new ATOM 0 HG3 LYS A 138 1.072 0.671 -4.030 1.00 50.43 H new ATOM 0 HD2 LYS A 138 1.612 2.849 -3.120 1.00 53.40 H new ATOM 0 HD3 LYS A 138 1.893 2.180 -1.525 1.00 53.40 H new ATOM 0 HE2 LYS A 138 3.792 0.825 -2.587 1.00 40.14 H new ATOM 0 HE3 LYS A 138 3.594 1.844 -3.999 1.00 40.14 H new ATOM 0 HZ1 LYS A 138 5.227 2.538 -2.163 1.00 11.44 H new ATOM 0 HZ2 LYS A 138 4.221 3.720 -2.852 1.00 11.44 H new ATOM 0 HZ3 LYS A 138 3.843 3.066 -1.331 1.00 11.44 H new ATOM 2010 N PHE A 139 -0.117 -2.422 -2.386 1.00 2.11 N ATOM 2011 CA PHE A 139 0.581 -3.578 -1.888 1.00 64.53 C ATOM 2012 C PHE A 139 1.897 -3.674 -2.604 1.00 45.15 C ATOM 2013 O PHE A 139 1.947 -3.567 -3.829 1.00 1.01 O ATOM 2014 CB PHE A 139 -0.225 -4.849 -2.152 1.00 23.34 C ATOM 2015 CG PHE A 139 -1.587 -4.813 -1.559 1.00 3.32 C ATOM 2016 CD1 PHE A 139 -2.715 -4.790 -2.354 1.00 64.23 C ATOM 2017 CD2 PHE A 139 -1.735 -4.775 -0.203 1.00 42.33 C ATOM 2018 CE1 PHE A 139 -3.968 -4.735 -1.785 1.00 61.43 C ATOM 2019 CE2 PHE A 139 -2.970 -4.720 0.376 1.00 50.13 C ATOM 2020 CZ PHE A 139 -4.098 -4.699 -0.413 1.00 30.32 C ATOM 0 H PHE A 139 -0.331 -2.468 -3.382 1.00 2.11 H new ATOM 0 HA PHE A 139 0.728 -3.478 -0.813 1.00 64.53 H new ATOM 0 HB2 PHE A 139 -0.308 -5.002 -3.228 1.00 23.34 H new ATOM 0 HB3 PHE A 139 0.317 -5.705 -1.750 1.00 23.34 H new ATOM 0 HD1 PHE A 139 -2.614 -4.815 -3.429 1.00 64.23 H new ATOM 0 HD2 PHE A 139 -0.857 -4.789 0.425 1.00 42.33 H new ATOM 0 HE1 PHE A 139 -4.847 -4.720 -2.412 1.00 61.43 H new ATOM 0 HE2 PHE A 139 -3.062 -4.693 1.452 1.00 50.13 H new ATOM 0 HZ PHE A 139 -5.078 -4.655 0.040 1.00 30.32 H new ATOM 2030 N ILE A 140 2.953 -3.836 -1.880 1.00 75.21 N ATOM 2031 CA ILE A 140 4.269 -3.952 -2.480 1.00 53.23 C ATOM 2032 C ILE A 140 4.978 -5.210 -2.021 1.00 31.53 C ATOM 2033 O ILE A 140 5.456 -5.301 -0.883 1.00 53.30 O ATOM 2034 CB ILE A 140 5.150 -2.680 -2.262 1.00 73.45 C ATOM 2035 CG1 ILE A 140 5.090 -2.202 -0.790 1.00 33.13 C ATOM 2036 CG2 ILE A 140 4.744 -1.573 -3.231 1.00 74.51 C ATOM 2037 CD1 ILE A 140 5.889 -0.947 -0.492 1.00 33.20 C ATOM 0 H ILE A 140 2.945 -3.893 -0.862 1.00 75.21 H new ATOM 0 HA ILE A 140 4.112 -4.032 -3.556 1.00 53.23 H new ATOM 0 HB ILE A 140 6.187 -2.943 -2.472 1.00 73.45 H new ATOM 0 HG12 ILE A 140 4.048 -2.024 -0.524 1.00 33.13 H new ATOM 0 HG13 ILE A 140 5.450 -3.005 -0.148 1.00 33.13 H new ATOM 0 HG21 ILE A 140 5.369 -0.696 -3.064 1.00 74.51 H new ATOM 0 HG22 ILE A 140 4.874 -1.921 -4.256 1.00 74.51 H new ATOM 0 HG23 ILE A 140 3.699 -1.311 -3.067 1.00 74.51 H new ATOM 0 HD11 ILE A 140 5.785 -0.691 0.563 1.00 33.20 H new ATOM 0 HD12 ILE A 140 6.940 -1.122 -0.721 1.00 33.20 H new ATOM 0 HD13 ILE A 140 5.516 -0.125 -1.103 1.00 33.20 H new ATOM 2049 N MET A 141 5.019 -6.200 -2.888 1.00 22.45 N ATOM 2050 CA MET A 141 5.636 -7.460 -2.543 1.00 21.14 C ATOM 2051 C MET A 141 7.054 -7.478 -3.035 1.00 55.24 C ATOM 2052 O MET A 141 7.314 -7.791 -4.200 1.00 13.24 O ATOM 2053 CB MET A 141 4.869 -8.648 -3.141 1.00 3.44 C ATOM 2054 CG MET A 141 3.384 -8.683 -2.807 1.00 12.22 C ATOM 2055 SD MET A 141 2.541 -10.125 -3.494 1.00 2.22 S ATOM 2056 CE MET A 141 0.858 -9.798 -2.964 1.00 33.22 C ATOM 0 H MET A 141 4.634 -6.156 -3.832 1.00 22.45 H new ATOM 0 HA MET A 141 5.616 -7.558 -1.458 1.00 21.14 H new ATOM 0 HB2 MET A 141 4.983 -8.627 -4.225 1.00 3.44 H new ATOM 0 HB3 MET A 141 5.328 -9.572 -2.790 1.00 3.44 H new ATOM 0 HG2 MET A 141 3.260 -8.678 -1.724 1.00 12.22 H new ATOM 0 HG3 MET A 141 2.910 -7.777 -3.186 1.00 12.22 H new ATOM 0 HE1 MET A 141 0.205 -10.600 -3.309 1.00 33.22 H new ATOM 0 HE2 MET A 141 0.823 -9.745 -1.876 1.00 33.22 H new ATOM 0 HE3 MET A 141 0.522 -8.850 -3.384 1.00 33.22 H new ATOM 2066 N SER A 142 7.969 -7.121 -2.166 1.00 0.52 N ATOM 2067 CA SER A 142 9.399 -7.058 -2.500 1.00 22.43 C ATOM 2068 C SER A 142 10.249 -6.998 -1.228 1.00 61.10 C ATOM 2069 O SER A 142 11.217 -7.748 -1.090 1.00 45.33 O ATOM 2070 CB SER A 142 9.714 -5.804 -3.361 1.00 62.52 C ATOM 2071 OG SER A 142 8.932 -5.751 -4.551 1.00 34.34 O ATOM 0 H SER A 142 7.758 -6.863 -1.202 1.00 0.52 H new ATOM 0 HA SER A 142 9.640 -7.959 -3.065 1.00 22.43 H new ATOM 0 HB2 SER A 142 9.533 -4.906 -2.770 1.00 62.52 H new ATOM 0 HB3 SER A 142 10.772 -5.804 -3.624 1.00 62.52 H new ATOM 0 HG SER A 142 8.550 -6.635 -4.731 1.00 34.34 H new ATOM 2077 N LYS A 143 9.826 -6.125 -0.307 1.00 14.34 N ATOM 2078 CA LYS A 143 10.539 -5.773 0.935 1.00 24.14 C ATOM 2079 C LYS A 143 11.084 -6.991 1.689 1.00 13.35 C ATOM 2080 O LYS A 143 10.386 -7.973 1.922 1.00 2.12 O ATOM 2081 CB LYS A 143 9.594 -4.968 1.820 1.00 24.34 C ATOM 2082 CG LYS A 143 10.226 -4.223 2.988 1.00 32.40 C ATOM 2083 CD LYS A 143 11.344 -3.309 2.519 1.00 53.21 C ATOM 2084 CE LYS A 143 11.581 -2.155 3.479 1.00 11.14 C ATOM 2085 NZ LYS A 143 10.480 -1.162 3.420 1.00 24.21 N ATOM 0 H LYS A 143 8.944 -5.623 -0.406 1.00 14.34 H new ATOM 0 HA LYS A 143 11.414 -5.182 0.666 1.00 24.14 H new ATOM 0 HB2 LYS A 143 9.075 -4.243 1.194 1.00 24.34 H new ATOM 0 HB3 LYS A 143 8.838 -5.646 2.217 1.00 24.34 H new ATOM 0 HG2 LYS A 143 9.465 -3.636 3.502 1.00 32.40 H new ATOM 0 HG3 LYS A 143 10.618 -4.939 3.710 1.00 32.40 H new ATOM 0 HD2 LYS A 143 12.263 -3.886 2.413 1.00 53.21 H new ATOM 0 HD3 LYS A 143 11.099 -2.915 1.533 1.00 53.21 H new ATOM 0 HE2 LYS A 143 11.672 -2.539 4.495 1.00 11.14 H new ATOM 0 HE3 LYS A 143 12.525 -1.667 3.237 1.00 11.14 H new ATOM 0 HZ1 LYS A 143 10.666 -0.397 4.100 1.00 24.21 H new ATOM 0 HZ2 LYS A 143 10.421 -0.766 2.460 1.00 24.21 H new ATOM 0 HZ3 LYS A 143 9.581 -1.626 3.659 1.00 24.21 H new ATOM 2099 N ALA A 144 12.323 -6.905 2.063 1.00 63.32 N ATOM 2100 CA ALA A 144 13.000 -7.985 2.720 1.00 21.04 C ATOM 2101 C ALA A 144 14.200 -7.458 3.463 1.00 13.14 C ATOM 2102 O ALA A 144 14.690 -6.365 3.159 1.00 24.25 O ATOM 2103 CB ALA A 144 13.453 -9.007 1.687 1.00 20.24 C ATOM 0 H ALA A 144 12.900 -6.076 1.920 1.00 63.32 H new ATOM 0 HA ALA A 144 12.318 -8.458 3.426 1.00 21.04 H new ATOM 0 HB1 ALA A 144 13.967 -9.827 2.188 1.00 20.24 H new ATOM 0 HB2 ALA A 144 12.585 -9.395 1.154 1.00 20.24 H new ATOM 0 HB3 ALA A 144 14.132 -8.532 0.978 1.00 20.24 H new ATOM 2109 N ALA A 145 14.630 -8.204 4.445 1.00 63.12 N ATOM 2110 CA ALA A 145 15.850 -7.917 5.168 1.00 53.14 C ATOM 2111 C ALA A 145 17.016 -8.561 4.416 1.00 41.40 C ATOM 2112 O ALA A 145 16.785 -9.464 3.604 1.00 65.33 O ATOM 2113 CB ALA A 145 15.761 -8.493 6.581 1.00 11.15 C ATOM 0 H ALA A 145 14.142 -9.038 4.772 1.00 63.12 H new ATOM 0 HA ALA A 145 16.000 -6.840 5.240 1.00 53.14 H new ATOM 0 HB1 ALA A 145 16.682 -8.274 7.122 1.00 11.15 H new ATOM 0 HB2 ALA A 145 14.917 -8.043 7.105 1.00 11.15 H new ATOM 0 HB3 ALA A 145 15.620 -9.572 6.526 1.00 11.15 H new ATOM 2119 N PRO A 146 18.273 -8.091 4.639 1.00 21.12 N ATOM 2120 CA PRO A 146 19.476 -8.691 4.028 1.00 73.24 C ATOM 2121 C PRO A 146 19.541 -10.196 4.293 1.00 72.00 C ATOM 2122 O PRO A 146 19.089 -10.671 5.346 1.00 54.21 O ATOM 2123 CB PRO A 146 20.620 -7.987 4.757 1.00 53.43 C ATOM 2124 CG PRO A 146 20.058 -6.680 5.161 1.00 63.32 C ATOM 2125 CD PRO A 146 18.618 -6.930 5.482 1.00 30.15 C ATOM 0 HA PRO A 146 19.500 -8.572 2.945 1.00 73.24 H new ATOM 0 HB2 PRO A 146 20.951 -8.561 5.623 1.00 53.43 H new ATOM 0 HB3 PRO A 146 21.486 -7.862 4.107 1.00 53.43 H new ATOM 0 HG2 PRO A 146 20.586 -6.279 6.026 1.00 63.32 H new ATOM 0 HG3 PRO A 146 20.157 -5.948 4.359 1.00 63.32 H new ATOM 0 HD2 PRO A 146 18.475 -7.146 6.541 1.00 30.15 H new ATOM 0 HD3 PRO A 146 17.998 -6.065 5.246 1.00 30.15 H new ATOM 2133 N TYR A 147 20.091 -10.945 3.373 1.00 25.05 N ATOM 2134 CA TYR A 147 20.097 -12.359 3.512 1.00 65.51 C ATOM 2135 C TYR A 147 21.196 -12.836 4.432 1.00 74.21 C ATOM 2136 O TYR A 147 22.269 -12.217 4.535 1.00 1.54 O ATOM 2137 CB TYR A 147 20.157 -13.059 2.150 1.00 54.33 C ATOM 2138 CG TYR A 147 21.485 -13.035 1.423 1.00 53.10 C ATOM 2139 CD1 TYR A 147 22.369 -14.099 1.534 1.00 41.25 C ATOM 2140 CD2 TYR A 147 21.832 -11.982 0.602 1.00 63.53 C ATOM 2141 CE1 TYR A 147 23.555 -14.110 0.850 1.00 11.44 C ATOM 2142 CE2 TYR A 147 23.025 -11.977 -0.084 1.00 61.25 C ATOM 2143 CZ TYR A 147 23.880 -13.045 0.039 1.00 74.13 C ATOM 2144 OH TYR A 147 25.058 -13.061 -0.673 1.00 60.31 O ATOM 0 H TYR A 147 20.536 -10.592 2.526 1.00 25.05 H new ATOM 0 HA TYR A 147 19.152 -12.635 3.980 1.00 65.51 H new ATOM 0 HB2 TYR A 147 19.867 -14.100 2.291 1.00 54.33 H new ATOM 0 HB3 TYR A 147 19.408 -12.604 1.502 1.00 54.33 H new ATOM 0 HD1 TYR A 147 22.117 -14.934 2.172 1.00 41.25 H new ATOM 0 HD2 TYR A 147 21.155 -11.147 0.496 1.00 63.53 H new ATOM 0 HE1 TYR A 147 24.231 -14.947 0.946 1.00 11.44 H new ATOM 0 HE2 TYR A 147 23.287 -11.140 -0.714 1.00 61.25 H new ATOM 0 HH TYR A 147 25.135 -12.236 -1.196 1.00 60.31 H new ATOM 2154 N VAL A 148 20.918 -13.911 5.108 1.00 61.34 N ATOM 2155 CA VAL A 148 21.865 -14.524 5.981 1.00 13.13 C ATOM 2156 C VAL A 148 22.627 -15.583 5.194 1.00 44.10 C ATOM 2157 O VAL A 148 22.099 -16.125 4.210 1.00 43.13 O ATOM 2158 CB VAL A 148 21.178 -15.144 7.239 1.00 1.42 C ATOM 2159 CG1 VAL A 148 20.471 -14.067 8.051 1.00 43.05 C ATOM 2160 CG2 VAL A 148 20.192 -16.242 6.863 1.00 14.34 C ATOM 0 H VAL A 148 20.018 -14.389 5.066 1.00 61.34 H new ATOM 0 HA VAL A 148 22.556 -13.766 6.351 1.00 13.13 H new ATOM 0 HB VAL A 148 21.964 -15.592 7.847 1.00 1.42 H new ATOM 0 HG11 VAL A 148 19.999 -14.520 8.923 1.00 43.05 H new ATOM 0 HG12 VAL A 148 21.197 -13.322 8.377 1.00 43.05 H new ATOM 0 HG13 VAL A 148 19.711 -13.587 7.435 1.00 43.05 H new ATOM 0 HG21 VAL A 148 19.736 -16.647 7.767 1.00 14.34 H new ATOM 0 HG22 VAL A 148 19.416 -15.829 6.219 1.00 14.34 H new ATOM 0 HG23 VAL A 148 20.717 -17.037 6.334 1.00 14.34 H new ATOM 2170 N ALA A 149 23.852 -15.820 5.567 1.00 64.14 N ATOM 2171 CA ALA A 149 24.688 -16.790 4.915 1.00 61.45 C ATOM 2172 C ALA A 149 25.670 -17.347 5.924 1.00 13.44 C ATOM 2173 O ALA A 149 25.535 -18.512 6.330 1.00 12.53 O ATOM 2174 CB ALA A 149 25.423 -16.158 3.742 1.00 74.20 C ATOM 0 H ALA A 149 24.306 -15.339 6.343 1.00 64.14 H new ATOM 0 HA ALA A 149 24.072 -17.600 4.524 1.00 61.45 H new ATOM 0 HB1 ALA A 149 26.051 -16.907 3.260 1.00 74.20 H new ATOM 0 HB2 ALA A 149 24.699 -15.775 3.023 1.00 74.20 H new ATOM 0 HB3 ALA A 149 26.046 -15.339 4.102 1.00 74.20 H new TER 2180 ALA A 149