USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 800 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 71 ASN : amide:sc= -0.0169 K(o=-1.3,f=-4.5) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 151:sc= -1.3 (180deg=-1.89!) USER MOD Set 2.1: A 67 ASN : amide:sc=-0.00958 K(o=-1.5,f=-0.64) USER MOD Set 2.2: A 70 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.023) USER MOD Set 3.1: A 46 SER OG : rot -118:sc= 0.823 USER MOD Set 3.2: A 52 LYS NZ :NH3+ 163:sc= 0.787 (180deg=0.522) USER MOD Set 4.1: A 36 SER OG : rot 180:sc= 0.0228 USER MOD Set 4.2: A 37 SER OG : rot 180:sc= 0.0144 USER MOD Set 5.1: A 25 ASN : amide:sc= -2.5! K(o=-2.9!,f=-0.28) USER MOD Set 5.2: A 26 TYR OH : rot -145:sc= -0.454 USER MOD Set 6.1: A 19 GLN : amide:sc= 0.195 K(o=0.38,f=1.9) USER MOD Set 6.2: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.3: A 33 THR OG1 : rot 120:sc= 0.186 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -74:sc= 1.24 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 16 SER OG : rot 77:sc= 1.22 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.2 K(o=0.2,f=-2.4!) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0.461 (180deg=0.427) USER MOD Single : A 47 MET CE :methyl 180:sc= -0.957 (180deg=-0.957) USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= 1.12 (180deg=-0.0263) USER MOD Single : A 50 ASN : amide:sc= -2.14! K(o=-2.1!,f=0) USER MOD Single : A 59 ASN : amide:sc= -2.46! K(o=-2.5!,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.112 K(o=-0.11,f=-3.9!) USER MOD Single : A 75 LYS NZ :NH3+ -109:sc= 0.689 (180deg=-0.0166) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= -0.0423 (180deg=-0.251) USER MOD Single : A 85 SER OG : rot -133:sc= 0.523 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 74:sc= 0.444 USER MOD Single : A 93 GLN : amide:sc= -0.366 K(o=-0.37,f=-2!) USER MOD Single : A 100 LYS NZ :NH3+ -172:sc= 0.522 (180deg=0.498) USER MOD Single : A 101 THR OG1 : rot -30:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 1.542 10.960 0.724 1.00 45.54 N ATOM 28 CA LYS A 3 1.491 9.892 1.735 1.00 70.35 C ATOM 29 C LYS A 3 0.968 8.598 1.114 1.00 71.14 C ATOM 30 O LYS A 3 0.429 8.605 0.005 1.00 15.14 O ATOM 31 CB LYS A 3 0.639 10.310 2.950 1.00 42.10 C ATOM 32 CG LYS A 3 -0.846 10.635 2.669 1.00 43.50 C ATOM 33 CD LYS A 3 -1.619 10.982 3.972 1.00 50.11 C ATOM 34 CE LYS A 3 -1.571 9.845 5.021 1.00 13.14 C ATOM 35 NZ LYS A 3 -2.212 10.234 6.304 1.00 74.20 N ATOM 0 HA LYS A 3 2.505 9.715 2.095 1.00 70.35 H new ATOM 0 HB2 LYS A 3 0.680 9.509 3.688 1.00 42.10 H new ATOM 0 HB3 LYS A 3 1.100 11.186 3.406 1.00 42.10 H new ATOM 0 HG2 LYS A 3 -0.909 11.473 1.975 1.00 43.50 H new ATOM 0 HG3 LYS A 3 -1.319 9.782 2.182 1.00 43.50 H new ATOM 0 HD2 LYS A 3 -1.199 11.889 4.407 1.00 50.11 H new ATOM 0 HD3 LYS A 3 -2.658 11.198 3.725 1.00 50.11 H new ATOM 0 HE2 LYS A 3 -2.071 8.963 4.621 1.00 13.14 H new ATOM 0 HE3 LYS A 3 -0.533 9.567 5.205 1.00 13.14 H new ATOM 0 HZ1 LYS A 3 -2.155 9.441 6.975 1.00 74.20 H new ATOM 0 HZ2 LYS A 3 -1.720 11.060 6.702 1.00 74.20 H new ATOM 0 HZ3 LYS A 3 -3.210 10.474 6.135 1.00 74.20 H new ATOM 49 N VAL A 4 1.136 7.482 1.839 1.00 72.22 N ATOM 50 CA VAL A 4 0.844 6.139 1.309 1.00 62.50 C ATOM 51 C VAL A 4 0.090 5.267 2.339 1.00 54.52 C ATOM 52 O VAL A 4 0.269 5.429 3.544 1.00 75.41 O ATOM 53 CB VAL A 4 2.168 5.445 0.834 1.00 63.22 C ATOM 54 CG1 VAL A 4 3.174 5.300 1.978 1.00 73.54 C ATOM 55 CG2 VAL A 4 1.890 4.090 0.160 1.00 44.03 C ATOM 0 H VAL A 4 1.475 7.483 2.801 1.00 72.22 H new ATOM 0 HA VAL A 4 0.184 6.252 0.449 1.00 62.50 H new ATOM 0 HB VAL A 4 2.617 6.097 0.085 1.00 63.22 H new ATOM 0 HG11 VAL A 4 4.078 4.815 1.609 1.00 73.54 H new ATOM 0 HG12 VAL A 4 3.425 6.286 2.369 1.00 73.54 H new ATOM 0 HG13 VAL A 4 2.737 4.696 2.773 1.00 73.54 H new ATOM 0 HG21 VAL A 4 2.832 3.640 -0.155 1.00 44.03 H new ATOM 0 HG22 VAL A 4 1.390 3.428 0.867 1.00 44.03 H new ATOM 0 HG23 VAL A 4 1.251 4.241 -0.710 1.00 44.03 H new ATOM 65 N LEU A 5 -0.784 4.381 1.826 1.00 31.12 N ATOM 66 CA LEU A 5 -1.547 3.413 2.623 1.00 53.12 C ATOM 67 C LEU A 5 -0.955 2.006 2.402 1.00 43.44 C ATOM 68 O LEU A 5 -1.215 1.371 1.374 1.00 74.14 O ATOM 69 CB LEU A 5 -3.046 3.449 2.206 1.00 24.41 C ATOM 70 CG LEU A 5 -4.027 2.562 3.047 1.00 63.02 C ATOM 71 CD1 LEU A 5 -4.075 3.017 4.520 1.00 4.14 C ATOM 72 CD2 LEU A 5 -5.441 2.534 2.418 1.00 73.44 C ATOM 0 H LEU A 5 -0.980 4.320 0.827 1.00 31.12 H new ATOM 0 HA LEU A 5 -1.481 3.668 3.681 1.00 53.12 H new ATOM 0 HB2 LEU A 5 -3.390 4.482 2.258 1.00 24.41 H new ATOM 0 HB3 LEU A 5 -3.117 3.142 1.163 1.00 24.41 H new ATOM 0 HG LEU A 5 -3.641 1.543 3.032 1.00 63.02 H new ATOM 0 HD11 LEU A 5 -4.765 2.381 5.075 1.00 4.14 H new ATOM 0 HD12 LEU A 5 -3.079 2.941 4.957 1.00 4.14 H new ATOM 0 HD13 LEU A 5 -4.415 4.051 4.570 1.00 4.14 H new ATOM 0 HD21 LEU A 5 -6.097 1.910 3.025 1.00 73.44 H new ATOM 0 HD22 LEU A 5 -5.841 3.547 2.376 1.00 73.44 H new ATOM 0 HD23 LEU A 5 -5.383 2.125 1.409 1.00 73.44 H new ATOM 84 N LEU A 6 -0.109 1.566 3.343 1.00 70.14 N ATOM 85 CA LEU A 6 0.463 0.212 3.346 1.00 23.20 C ATOM 86 C LEU A 6 -0.621 -0.813 3.756 1.00 11.20 C ATOM 87 O LEU A 6 -0.842 -1.066 4.943 1.00 1.34 O ATOM 88 CB LEU A 6 1.673 0.148 4.327 1.00 53.35 C ATOM 89 CG LEU A 6 2.449 -1.214 4.384 1.00 60.43 C ATOM 90 CD1 LEU A 6 3.144 -1.520 3.040 1.00 52.11 C ATOM 91 CD2 LEU A 6 3.449 -1.242 5.564 1.00 34.45 C ATOM 0 H LEU A 6 0.199 2.141 4.127 1.00 70.14 H new ATOM 0 HA LEU A 6 0.815 -0.032 2.344 1.00 23.20 H new ATOM 0 HB2 LEU A 6 2.378 0.932 4.052 1.00 53.35 H new ATOM 0 HB3 LEU A 6 1.313 0.379 5.330 1.00 53.35 H new ATOM 0 HG LEU A 6 1.719 -2.005 4.559 1.00 60.43 H new ATOM 0 HD11 LEU A 6 3.673 -2.470 3.112 1.00 52.11 H new ATOM 0 HD12 LEU A 6 2.396 -1.580 2.249 1.00 52.11 H new ATOM 0 HD13 LEU A 6 3.854 -0.726 2.809 1.00 52.11 H new ATOM 0 HD21 LEU A 6 3.971 -2.199 5.576 1.00 34.45 H new ATOM 0 HD22 LEU A 6 4.173 -0.435 5.447 1.00 34.45 H new ATOM 0 HD23 LEU A 6 2.909 -1.111 6.502 1.00 34.45 H new ATOM 103 N VAL A 7 -1.311 -1.366 2.751 1.00 51.35 N ATOM 104 CA VAL A 7 -2.325 -2.413 2.936 1.00 42.44 C ATOM 105 C VAL A 7 -1.635 -3.781 3.092 1.00 10.11 C ATOM 106 O VAL A 7 -1.149 -4.363 2.109 1.00 13.13 O ATOM 107 CB VAL A 7 -3.337 -2.453 1.731 1.00 3.42 C ATOM 108 CG1 VAL A 7 -4.377 -3.592 1.897 1.00 1.21 C ATOM 109 CG2 VAL A 7 -4.031 -1.083 1.550 1.00 22.12 C ATOM 0 H VAL A 7 -1.180 -1.097 1.776 1.00 51.35 H new ATOM 0 HA VAL A 7 -2.891 -2.183 3.839 1.00 42.44 H new ATOM 0 HB VAL A 7 -2.767 -2.665 0.827 1.00 3.42 H new ATOM 0 HG11 VAL A 7 -5.059 -3.589 1.047 1.00 1.21 H new ATOM 0 HG12 VAL A 7 -3.862 -4.551 1.945 1.00 1.21 H new ATOM 0 HG13 VAL A 7 -4.942 -3.437 2.816 1.00 1.21 H new ATOM 0 HG21 VAL A 7 -4.726 -1.135 0.712 1.00 22.12 H new ATOM 0 HG22 VAL A 7 -4.577 -0.829 2.458 1.00 22.12 H new ATOM 0 HG23 VAL A 7 -3.280 -0.318 1.352 1.00 22.12 H new ATOM 119 N ILE A 8 -1.547 -4.251 4.342 1.00 52.02 N ATOM 120 CA ILE A 8 -1.008 -5.572 4.671 1.00 72.12 C ATOM 121 C ILE A 8 -2.158 -6.585 4.807 1.00 42.45 C ATOM 122 O ILE A 8 -3.070 -6.411 5.640 1.00 50.34 O ATOM 123 CB ILE A 8 -0.163 -5.551 5.999 1.00 62.11 C ATOM 124 CG1 ILE A 8 0.888 -4.394 5.971 1.00 23.51 C ATOM 125 CG2 ILE A 8 0.529 -6.927 6.235 1.00 23.31 C ATOM 126 CD1 ILE A 8 1.739 -4.280 7.225 1.00 21.03 C ATOM 0 H ILE A 8 -1.851 -3.720 5.158 1.00 52.02 H new ATOM 0 HA ILE A 8 -0.344 -5.867 3.859 1.00 72.12 H new ATOM 0 HB ILE A 8 -0.842 -5.368 6.831 1.00 62.11 H new ATOM 0 HG12 ILE A 8 1.546 -4.539 5.114 1.00 23.51 H new ATOM 0 HG13 ILE A 8 0.365 -3.450 5.816 1.00 23.51 H new ATOM 0 HG21 ILE A 8 1.107 -6.890 7.158 1.00 23.31 H new ATOM 0 HG22 ILE A 8 -0.229 -7.707 6.313 1.00 23.31 H new ATOM 0 HG23 ILE A 8 1.193 -7.148 5.399 1.00 23.31 H new ATOM 0 HD11 ILE A 8 2.439 -3.451 7.116 1.00 21.03 H new ATOM 0 HD12 ILE A 8 1.096 -4.100 8.086 1.00 21.03 H new ATOM 0 HD13 ILE A 8 2.294 -5.206 7.374 1.00 21.03 H new ATOM 138 N SER A 9 -2.116 -7.617 3.950 1.00 72.42 N ATOM 139 CA SER A 9 -2.997 -8.790 4.019 1.00 74.10 C ATOM 140 C SER A 9 -2.147 -10.033 3.692 1.00 53.25 C ATOM 141 O SER A 9 -1.234 -9.958 2.853 1.00 71.33 O ATOM 142 CB SER A 9 -4.166 -8.669 3.004 1.00 34.11 C ATOM 143 OG SER A 9 -4.730 -7.371 2.986 1.00 10.44 O ATOM 0 H SER A 9 -1.455 -7.659 3.175 1.00 72.42 H new ATOM 0 HA SER A 9 -3.432 -8.866 5.015 1.00 74.10 H new ATOM 0 HB2 SER A 9 -3.805 -8.920 2.006 1.00 34.11 H new ATOM 0 HB3 SER A 9 -4.939 -9.395 3.255 1.00 34.11 H new ATOM 0 HG SER A 9 -5.272 -7.238 3.792 1.00 10.44 H new ATOM 149 N THR A 10 -2.424 -11.159 4.368 1.00 70.03 N ATOM 150 CA THR A 10 -1.800 -12.453 4.039 1.00 62.11 C ATOM 151 C THR A 10 -2.562 -13.105 2.860 1.00 64.22 C ATOM 152 O THR A 10 -1.964 -13.778 2.006 1.00 3.24 O ATOM 153 CB THR A 10 -1.788 -13.409 5.275 1.00 61.24 C ATOM 154 OG1 THR A 10 -1.209 -12.732 6.404 1.00 1.21 O ATOM 155 CG2 THR A 10 -0.992 -14.701 5.011 1.00 15.14 C ATOM 0 H THR A 10 -3.079 -11.200 5.149 1.00 70.03 H new ATOM 0 HA THR A 10 -0.764 -12.276 3.751 1.00 62.11 H new ATOM 0 HB THR A 10 -2.823 -13.686 5.476 1.00 61.24 H new ATOM 0 HG1 THR A 10 -1.204 -13.333 7.178 1.00 1.21 H new ATOM 0 HG21 THR A 10 -1.015 -15.330 5.901 1.00 15.14 H new ATOM 0 HG22 THR A 10 -1.438 -15.239 4.174 1.00 15.14 H new ATOM 0 HG23 THR A 10 0.041 -14.449 4.771 1.00 15.14 H new ATOM 163 N ASP A 11 -3.892 -12.872 2.831 1.00 54.34 N ATOM 164 CA ASP A 11 -4.792 -13.375 1.778 1.00 1.32 C ATOM 165 C ASP A 11 -4.522 -12.649 0.457 1.00 45.24 C ATOM 166 O ASP A 11 -5.075 -11.574 0.200 1.00 3.55 O ATOM 167 CB ASP A 11 -6.274 -13.197 2.190 1.00 75.15 C ATOM 168 CG ASP A 11 -6.650 -14.003 3.435 1.00 74.51 C ATOM 169 OD1 ASP A 11 -6.252 -13.605 4.543 1.00 73.32 O ATOM 170 OD2 ASP A 11 -7.351 -15.030 3.318 1.00 53.14 O ATOM 0 H ASP A 11 -4.372 -12.325 3.545 1.00 54.34 H new ATOM 0 HA ASP A 11 -4.598 -14.439 1.643 1.00 1.32 H new ATOM 0 HB2 ASP A 11 -6.469 -12.141 2.375 1.00 75.15 H new ATOM 0 HB3 ASP A 11 -6.914 -13.499 1.361 1.00 75.15 H new ATOM 175 N THR A 12 -3.639 -13.244 -0.351 1.00 4.20 N ATOM 176 CA THR A 12 -3.255 -12.728 -1.670 1.00 53.33 C ATOM 177 C THR A 12 -4.451 -12.705 -2.647 1.00 53.40 C ATOM 178 O THR A 12 -4.485 -11.883 -3.559 1.00 54.44 O ATOM 179 CB THR A 12 -2.078 -13.578 -2.247 1.00 65.33 C ATOM 180 OG1 THR A 12 -2.419 -14.973 -2.197 1.00 52.22 O ATOM 181 CG2 THR A 12 -0.768 -13.340 -1.462 1.00 23.44 C ATOM 0 H THR A 12 -3.163 -14.112 -0.104 1.00 4.20 H new ATOM 0 HA THR A 12 -2.924 -11.697 -1.549 1.00 53.33 H new ATOM 0 HB THR A 12 -1.916 -13.269 -3.280 1.00 65.33 H new ATOM 0 HG1 THR A 12 -1.680 -15.504 -2.561 1.00 52.22 H new ATOM 0 HG21 THR A 12 0.029 -13.947 -1.891 1.00 23.44 H new ATOM 0 HG22 THR A 12 -0.494 -12.287 -1.522 1.00 23.44 H new ATOM 0 HG23 THR A 12 -0.914 -13.618 -0.418 1.00 23.44 H new ATOM 189 N ASN A 13 -5.440 -13.605 -2.415 1.00 23.24 N ATOM 190 CA ASN A 13 -6.715 -13.636 -3.169 1.00 42.42 C ATOM 191 C ASN A 13 -7.479 -12.313 -2.992 1.00 25.14 C ATOM 192 O ASN A 13 -7.900 -11.694 -3.976 1.00 1.21 O ATOM 193 CB ASN A 13 -7.609 -14.827 -2.709 1.00 75.12 C ATOM 194 CG ASN A 13 -7.017 -16.203 -3.022 1.00 44.45 C ATOM 195 OD1 ASN A 13 -6.273 -16.375 -3.990 1.00 70.42 O ATOM 196 ND2 ASN A 13 -7.359 -17.199 -2.219 1.00 52.25 N ATOM 0 H ASN A 13 -5.374 -14.329 -1.699 1.00 23.24 H new ATOM 0 HA ASN A 13 -6.474 -13.770 -4.224 1.00 42.42 H new ATOM 0 HB2 ASN A 13 -7.776 -14.750 -1.635 1.00 75.12 H new ATOM 0 HB3 ASN A 13 -8.584 -14.744 -3.190 1.00 75.12 H new ATOM 0 HD21 ASN A 13 -7.005 -18.139 -2.394 1.00 52.25 H new ATOM 0 HD22 ASN A 13 -7.976 -17.026 -1.426 1.00 52.25 H new ATOM 203 N ILE A 14 -7.628 -11.886 -1.719 1.00 15.23 N ATOM 204 CA ILE A 14 -8.341 -10.646 -1.356 1.00 44.14 C ATOM 205 C ILE A 14 -7.641 -9.427 -1.966 1.00 65.24 C ATOM 206 O ILE A 14 -8.297 -8.550 -2.525 1.00 51.00 O ATOM 207 CB ILE A 14 -8.466 -10.487 0.209 1.00 2.23 C ATOM 208 CG1 ILE A 14 -9.325 -11.652 0.813 1.00 23.43 C ATOM 209 CG2 ILE A 14 -9.034 -9.100 0.613 1.00 61.35 C ATOM 210 CD1 ILE A 14 -10.734 -11.786 0.242 1.00 54.21 C ATOM 0 H ILE A 14 -7.257 -12.393 -0.916 1.00 15.23 H new ATOM 0 HA ILE A 14 -9.350 -10.712 -1.763 1.00 44.14 H new ATOM 0 HB ILE A 14 -7.461 -10.547 0.626 1.00 2.23 H new ATOM 0 HG12 ILE A 14 -8.796 -12.592 0.655 1.00 23.43 H new ATOM 0 HG13 ILE A 14 -9.400 -11.506 1.891 1.00 23.43 H new ATOM 0 HG21 ILE A 14 -9.102 -9.037 1.699 1.00 61.35 H new ATOM 0 HG22 ILE A 14 -8.374 -8.315 0.245 1.00 61.35 H new ATOM 0 HG23 ILE A 14 -10.026 -8.973 0.179 1.00 61.35 H new ATOM 0 HD11 ILE A 14 -11.245 -12.619 0.725 1.00 54.21 H new ATOM 0 HD12 ILE A 14 -11.289 -10.866 0.424 1.00 54.21 H new ATOM 0 HD13 ILE A 14 -10.676 -11.969 -0.831 1.00 54.21 H new ATOM 222 N ILE A 15 -6.300 -9.425 -1.888 1.00 22.13 N ATOM 223 CA ILE A 15 -5.464 -8.350 -2.438 1.00 51.52 C ATOM 224 C ILE A 15 -5.685 -8.208 -3.957 1.00 12.03 C ATOM 225 O ILE A 15 -5.878 -7.100 -4.445 1.00 72.40 O ATOM 226 CB ILE A 15 -3.945 -8.609 -2.149 1.00 54.23 C ATOM 227 CG1 ILE A 15 -3.690 -8.752 -0.619 1.00 24.14 C ATOM 228 CG2 ILE A 15 -3.074 -7.488 -2.749 1.00 74.32 C ATOM 229 CD1 ILE A 15 -2.282 -9.182 -0.251 1.00 31.52 C ATOM 0 H ILE A 15 -5.766 -10.170 -1.441 1.00 22.13 H new ATOM 0 HA ILE A 15 -5.759 -7.423 -1.947 1.00 51.52 H new ATOM 0 HB ILE A 15 -3.664 -9.547 -2.628 1.00 54.23 H new ATOM 0 HG12 ILE A 15 -3.902 -7.797 -0.138 1.00 24.14 H new ATOM 0 HG13 ILE A 15 -4.395 -9.477 -0.213 1.00 24.14 H new ATOM 0 HG21 ILE A 15 -2.024 -7.689 -2.536 1.00 74.32 H new ATOM 0 HG22 ILE A 15 -3.224 -7.449 -3.828 1.00 74.32 H new ATOM 0 HG23 ILE A 15 -3.357 -6.532 -2.308 1.00 74.32 H new ATOM 0 HD11 ILE A 15 -2.196 -9.256 0.833 1.00 31.52 H new ATOM 0 HD12 ILE A 15 -2.069 -10.153 -0.699 1.00 31.52 H new ATOM 0 HD13 ILE A 15 -1.568 -8.447 -0.623 1.00 31.52 H new ATOM 241 N SER A 16 -5.693 -9.356 -4.668 1.00 54.43 N ATOM 242 CA SER A 16 -5.901 -9.417 -6.126 1.00 12.13 C ATOM 243 C SER A 16 -7.244 -8.780 -6.529 1.00 4.04 C ATOM 244 O SER A 16 -7.314 -8.017 -7.500 1.00 25.44 O ATOM 245 CB SER A 16 -5.843 -10.887 -6.592 1.00 33.14 C ATOM 246 OG SER A 16 -4.597 -11.478 -6.268 1.00 30.10 O ATOM 0 H SER A 16 -5.554 -10.272 -4.241 1.00 54.43 H new ATOM 0 HA SER A 16 -5.108 -8.848 -6.612 1.00 12.13 H new ATOM 0 HB2 SER A 16 -6.649 -11.452 -6.124 1.00 33.14 H new ATOM 0 HB3 SER A 16 -6.003 -10.936 -7.669 1.00 33.14 H new ATOM 0 HG SER A 16 -4.578 -11.698 -5.313 1.00 30.10 H new ATOM 252 N SER A 17 -8.289 -9.089 -5.737 1.00 43.24 N ATOM 253 CA SER A 17 -9.651 -8.595 -5.962 1.00 4.30 C ATOM 254 C SER A 17 -9.719 -7.073 -5.758 1.00 51.32 C ATOM 255 O SER A 17 -10.062 -6.345 -6.687 1.00 65.11 O ATOM 256 CB SER A 17 -10.637 -9.310 -5.012 1.00 21.32 C ATOM 257 OG SER A 17 -11.972 -8.890 -5.234 1.00 21.25 O ATOM 0 H SER A 17 -8.206 -9.693 -4.919 1.00 43.24 H new ATOM 0 HA SER A 17 -9.933 -8.813 -6.992 1.00 4.30 H new ATOM 0 HB2 SER A 17 -10.565 -10.388 -5.156 1.00 21.32 H new ATOM 0 HB3 SER A 17 -10.358 -9.108 -3.978 1.00 21.32 H new ATOM 0 HG SER A 17 -12.570 -9.362 -4.618 1.00 21.25 H new ATOM 263 N VAL A 18 -9.329 -6.614 -4.548 1.00 32.24 N ATOM 264 CA VAL A 18 -9.439 -5.199 -4.129 1.00 51.42 C ATOM 265 C VAL A 18 -8.547 -4.284 -4.990 1.00 2.03 C ATOM 266 O VAL A 18 -8.912 -3.147 -5.253 1.00 13.24 O ATOM 267 CB VAL A 18 -9.080 -5.022 -2.604 1.00 75.05 C ATOM 268 CG1 VAL A 18 -9.194 -3.543 -2.146 1.00 63.24 C ATOM 269 CG2 VAL A 18 -9.964 -5.937 -1.730 1.00 11.10 C ATOM 0 H VAL A 18 -8.927 -7.218 -3.831 1.00 32.24 H new ATOM 0 HA VAL A 18 -10.478 -4.904 -4.277 1.00 51.42 H new ATOM 0 HB VAL A 18 -8.038 -5.317 -2.478 1.00 75.05 H new ATOM 0 HG11 VAL A 18 -8.938 -3.469 -1.089 1.00 63.24 H new ATOM 0 HG12 VAL A 18 -8.509 -2.928 -2.730 1.00 63.24 H new ATOM 0 HG13 VAL A 18 -10.215 -3.193 -2.297 1.00 63.24 H new ATOM 0 HG21 VAL A 18 -9.702 -5.801 -0.681 1.00 11.10 H new ATOM 0 HG22 VAL A 18 -11.013 -5.680 -1.879 1.00 11.10 H new ATOM 0 HG23 VAL A 18 -9.802 -6.977 -2.013 1.00 11.10 H new ATOM 279 N GLN A 19 -7.397 -4.822 -5.431 1.00 55.15 N ATOM 280 CA GLN A 19 -6.455 -4.121 -6.324 1.00 22.03 C ATOM 281 C GLN A 19 -7.160 -3.728 -7.634 1.00 3.52 C ATOM 282 O GLN A 19 -7.130 -2.568 -8.044 1.00 44.22 O ATOM 283 CB GLN A 19 -5.256 -5.046 -6.642 1.00 51.01 C ATOM 284 CG GLN A 19 -4.174 -4.450 -7.563 1.00 13.31 C ATOM 285 CD GLN A 19 -3.228 -5.526 -8.099 1.00 72.12 C ATOM 286 OE1 GLN A 19 -3.450 -6.084 -9.173 1.00 23.22 O ATOM 287 NE2 GLN A 19 -2.207 -5.866 -7.338 1.00 61.13 N ATOM 0 H GLN A 19 -7.092 -5.762 -5.177 1.00 55.15 H new ATOM 0 HA GLN A 19 -6.100 -3.219 -5.826 1.00 22.03 H new ATOM 0 HB2 GLN A 19 -4.786 -5.336 -5.702 1.00 51.01 H new ATOM 0 HB3 GLN A 19 -5.637 -5.957 -7.103 1.00 51.01 H new ATOM 0 HG2 GLN A 19 -4.650 -3.936 -8.398 1.00 13.31 H new ATOM 0 HG3 GLN A 19 -3.601 -3.703 -7.014 1.00 13.31 H new ATOM 0 HE21 GLN A 19 -2.048 -5.385 -6.453 1.00 61.13 H new ATOM 0 HE22 GLN A 19 -1.575 -6.610 -7.635 1.00 61.13 H new ATOM 296 N GLU A 20 -7.814 -4.728 -8.258 1.00 55.25 N ATOM 297 CA GLU A 20 -8.520 -4.558 -9.539 1.00 64.33 C ATOM 298 C GLU A 20 -9.814 -3.759 -9.362 1.00 4.14 C ATOM 299 O GLU A 20 -10.186 -2.992 -10.244 1.00 41.45 O ATOM 300 CB GLU A 20 -8.796 -5.933 -10.186 1.00 13.20 C ATOM 301 CG GLU A 20 -7.513 -6.689 -10.582 1.00 34.11 C ATOM 302 CD GLU A 20 -7.796 -7.999 -11.325 1.00 54.44 C ATOM 303 OE1 GLU A 20 -8.124 -7.945 -12.533 1.00 43.23 O ATOM 304 OE2 GLU A 20 -7.682 -9.083 -10.720 1.00 71.04 O ATOM 0 H GLU A 20 -7.866 -5.676 -7.886 1.00 55.25 H new ATOM 0 HA GLU A 20 -7.877 -3.986 -10.208 1.00 64.33 H new ATOM 0 HB2 GLU A 20 -9.370 -6.545 -9.491 1.00 13.20 H new ATOM 0 HB3 GLU A 20 -9.415 -5.792 -11.072 1.00 13.20 H new ATOM 0 HG2 GLU A 20 -6.898 -6.046 -11.212 1.00 34.11 H new ATOM 0 HG3 GLU A 20 -6.933 -6.905 -9.685 1.00 34.11 H new ATOM 311 N ARG A 21 -10.466 -3.923 -8.194 1.00 14.40 N ATOM 312 CA ARG A 21 -11.675 -3.161 -7.824 1.00 23.11 C ATOM 313 C ARG A 21 -11.319 -1.696 -7.540 1.00 30.23 C ATOM 314 O ARG A 21 -12.164 -0.814 -7.669 1.00 15.41 O ATOM 315 CB ARG A 21 -12.391 -3.795 -6.590 1.00 72.21 C ATOM 316 CG ARG A 21 -13.056 -5.165 -6.867 1.00 34.24 C ATOM 317 CD ARG A 21 -13.802 -5.733 -5.643 1.00 31.11 C ATOM 318 NE ARG A 21 -14.484 -7.008 -5.952 1.00 62.20 N ATOM 319 CZ ARG A 21 -14.989 -7.866 -5.044 1.00 2.12 C ATOM 320 NH1 ARG A 21 -14.915 -7.610 -3.748 1.00 24.54 N ATOM 321 NH2 ARG A 21 -15.542 -8.996 -5.456 1.00 2.14 N ATOM 0 H ARG A 21 -10.169 -4.588 -7.480 1.00 14.40 H new ATOM 0 HA ARG A 21 -12.364 -3.199 -8.667 1.00 23.11 H new ATOM 0 HB2 ARG A 21 -11.665 -3.914 -5.786 1.00 72.21 H new ATOM 0 HB3 ARG A 21 -13.152 -3.102 -6.232 1.00 72.21 H new ATOM 0 HG2 ARG A 21 -13.756 -5.061 -7.696 1.00 34.24 H new ATOM 0 HG3 ARG A 21 -12.292 -5.876 -7.182 1.00 34.24 H new ATOM 0 HD2 ARG A 21 -13.095 -5.888 -4.828 1.00 31.11 H new ATOM 0 HD3 ARG A 21 -14.535 -5.005 -5.295 1.00 31.11 H new ATOM 0 HE ARG A 21 -14.580 -7.259 -6.936 1.00 62.20 H new ATOM 0 HH11 ARG A 21 -14.470 -6.752 -3.422 1.00 24.54 H new ATOM 0 HH12 ARG A 21 -15.303 -8.271 -3.075 1.00 24.54 H new ATOM 0 HH21 ARG A 21 -15.583 -9.210 -6.452 1.00 2.14 H new ATOM 0 HH22 ARG A 21 -15.927 -9.652 -4.777 1.00 2.14 H new ATOM 335 N ALA A 22 -10.057 -1.456 -7.146 1.00 22.14 N ATOM 336 CA ALA A 22 -9.543 -0.111 -6.869 1.00 64.42 C ATOM 337 C ALA A 22 -9.129 0.590 -8.177 1.00 0.23 C ATOM 338 O ALA A 22 -9.315 1.789 -8.326 1.00 62.51 O ATOM 339 CB ALA A 22 -8.381 -0.174 -5.867 1.00 51.12 C ATOM 0 H ALA A 22 -9.366 -2.194 -7.011 1.00 22.14 H new ATOM 0 HA ALA A 22 -10.337 0.482 -6.415 1.00 64.42 H new ATOM 0 HB1 ALA A 22 -8.012 0.833 -5.674 1.00 51.12 H new ATOM 0 HB2 ALA A 22 -8.728 -0.619 -4.934 1.00 51.12 H new ATOM 0 HB3 ALA A 22 -7.576 -0.782 -6.281 1.00 51.12 H new ATOM 345 N LYS A 23 -8.584 -0.168 -9.134 1.00 54.24 N ATOM 346 CA LYS A 23 -8.227 0.382 -10.463 1.00 3.40 C ATOM 347 C LYS A 23 -9.492 0.568 -11.327 1.00 30.34 C ATOM 348 O LYS A 23 -9.510 1.383 -12.252 1.00 73.45 O ATOM 349 CB LYS A 23 -7.214 -0.542 -11.173 1.00 44.13 C ATOM 350 CG LYS A 23 -5.878 -0.723 -10.407 1.00 64.11 C ATOM 351 CD LYS A 23 -4.928 -1.732 -11.100 1.00 4.34 C ATOM 352 CE LYS A 23 -5.560 -3.129 -11.265 1.00 13.32 C ATOM 353 NZ LYS A 23 -4.683 -4.060 -12.012 1.00 42.24 N ATOM 0 H LYS A 23 -8.378 -1.161 -9.022 1.00 54.24 H new ATOM 0 HA LYS A 23 -7.762 1.358 -10.322 1.00 3.40 H new ATOM 0 HB2 LYS A 23 -7.672 -1.520 -11.320 1.00 44.13 H new ATOM 0 HB3 LYS A 23 -7.001 -0.138 -12.163 1.00 44.13 H new ATOM 0 HG2 LYS A 23 -5.378 0.242 -10.322 1.00 64.11 H new ATOM 0 HG3 LYS A 23 -6.088 -1.064 -9.393 1.00 64.11 H new ATOM 0 HD2 LYS A 23 -4.648 -1.346 -12.080 1.00 4.34 H new ATOM 0 HD3 LYS A 23 -4.011 -1.819 -10.518 1.00 4.34 H new ATOM 0 HE2 LYS A 23 -5.774 -3.546 -10.281 1.00 13.32 H new ATOM 0 HE3 LYS A 23 -6.513 -3.035 -11.786 1.00 13.32 H new ATOM 0 HZ1 LYS A 23 -5.151 -4.985 -12.097 1.00 42.24 H new ATOM 0 HZ2 LYS A 23 -4.498 -3.677 -12.961 1.00 42.24 H new ATOM 0 HZ3 LYS A 23 -3.783 -4.173 -11.503 1.00 42.24 H new ATOM 367 N HIS A 24 -10.541 -0.215 -11.009 1.00 61.12 N ATOM 368 CA HIS A 24 -11.847 -0.156 -11.689 1.00 51.12 C ATOM 369 C HIS A 24 -12.654 1.051 -11.175 1.00 11.42 C ATOM 370 O HIS A 24 -13.129 1.877 -11.963 1.00 71.51 O ATOM 371 CB HIS A 24 -12.619 -1.479 -11.440 1.00 33.31 C ATOM 372 CG HIS A 24 -13.908 -1.628 -12.202 1.00 5.13 C ATOM 373 ND1 HIS A 24 -13.971 -2.175 -13.466 1.00 14.02 N ATOM 374 CD2 HIS A 24 -15.185 -1.324 -11.870 1.00 23.44 C ATOM 375 CE1 HIS A 24 -15.224 -2.209 -13.865 1.00 35.23 C ATOM 376 NE2 HIS A 24 -15.979 -1.700 -12.917 1.00 52.24 N ATOM 0 H HIS A 24 -10.504 -0.912 -10.266 1.00 61.12 H new ATOM 0 HA HIS A 24 -11.695 -0.034 -12.761 1.00 51.12 H new ATOM 0 HB2 HIS A 24 -11.967 -2.314 -11.696 1.00 33.31 H new ATOM 0 HB3 HIS A 24 -12.835 -1.559 -10.375 1.00 33.31 H new ATOM 0 HD2 HIS A 24 -15.515 -0.869 -10.948 1.00 23.44 H new ATOM 0 HE1 HIS A 24 -15.574 -2.591 -14.813 1.00 35.23 H new ATOM 0 HE2 HIS A 24 -16.993 -1.602 -12.956 1.00 52.24 H new ATOM 385 N ASN A 25 -12.785 1.139 -9.837 1.00 12.42 N ATOM 386 CA ASN A 25 -13.590 2.182 -9.162 1.00 70.33 C ATOM 387 C ASN A 25 -12.876 3.546 -9.191 1.00 23.25 C ATOM 388 O ASN A 25 -13.527 4.591 -9.273 1.00 14.54 O ATOM 389 CB ASN A 25 -13.903 1.765 -7.697 1.00 24.42 C ATOM 390 CG ASN A 25 -14.839 2.733 -6.960 1.00 11.40 C ATOM 391 OD1 ASN A 25 -15.715 3.357 -7.552 1.00 4.22 O ATOM 392 ND2 ASN A 25 -14.666 2.859 -5.658 1.00 35.41 N ATOM 0 H ASN A 25 -12.336 0.490 -9.191 1.00 12.42 H new ATOM 0 HA ASN A 25 -14.529 2.283 -9.706 1.00 70.33 H new ATOM 0 HB2 ASN A 25 -14.353 0.772 -7.701 1.00 24.42 H new ATOM 0 HB3 ASN A 25 -12.967 1.689 -7.144 1.00 24.42 H new ATOM 0 HD21 ASN A 25 -15.267 3.485 -5.122 1.00 35.41 H new ATOM 0 HD22 ASN A 25 -13.931 2.330 -5.188 1.00 35.41 H new ATOM 399 N TYR A 26 -11.530 3.522 -9.122 1.00 62.52 N ATOM 400 CA TYR A 26 -10.687 4.739 -9.175 1.00 52.15 C ATOM 401 C TYR A 26 -9.733 4.598 -10.395 1.00 52.23 C ATOM 402 O TYR A 26 -8.579 4.183 -10.234 1.00 24.05 O ATOM 403 CB TYR A 26 -9.879 4.925 -7.840 1.00 71.34 C ATOM 404 CG TYR A 26 -10.602 4.488 -6.549 1.00 61.52 C ATOM 405 CD1 TYR A 26 -11.575 5.278 -5.944 1.00 34.44 C ATOM 406 CD2 TYR A 26 -10.315 3.260 -5.958 1.00 15.44 C ATOM 407 CE1 TYR A 26 -12.225 4.842 -4.801 1.00 51.32 C ATOM 408 CE2 TYR A 26 -10.952 2.828 -4.826 1.00 71.04 C ATOM 409 CZ TYR A 26 -11.906 3.611 -4.252 1.00 31.50 C ATOM 410 OH TYR A 26 -12.566 3.150 -3.134 1.00 4.52 O ATOM 0 H TYR A 26 -10.994 2.659 -9.028 1.00 62.52 H new ATOM 0 HA TYR A 26 -11.311 5.626 -9.288 1.00 52.15 H new ATOM 0 HB2 TYR A 26 -8.948 4.364 -7.920 1.00 71.34 H new ATOM 0 HB3 TYR A 26 -9.610 5.977 -7.744 1.00 71.34 H new ATOM 0 HD1 TYR A 26 -11.825 6.239 -6.369 1.00 34.44 H new ATOM 0 HD2 TYR A 26 -9.564 2.627 -6.408 1.00 15.44 H new ATOM 0 HE1 TYR A 26 -12.979 5.461 -4.339 1.00 51.32 H new ATOM 0 HE2 TYR A 26 -10.699 1.872 -4.391 1.00 71.04 H new ATOM 0 HH TYR A 26 -11.943 2.642 -2.573 1.00 4.52 H new ATOM 420 N PRO A 27 -10.224 4.906 -11.646 1.00 60.14 N ATOM 421 CA PRO A 27 -9.490 4.582 -12.908 1.00 52.42 C ATOM 422 C PRO A 27 -8.177 5.379 -13.102 1.00 4.14 C ATOM 423 O PRO A 27 -7.223 4.877 -13.712 1.00 50.32 O ATOM 424 CB PRO A 27 -10.532 4.911 -14.015 1.00 72.20 C ATOM 425 CG PRO A 27 -11.434 5.945 -13.400 1.00 54.53 C ATOM 426 CD PRO A 27 -11.524 5.589 -11.929 1.00 62.03 C ATOM 0 HA PRO A 27 -9.147 3.547 -12.916 1.00 52.42 H new ATOM 0 HB2 PRO A 27 -10.047 5.293 -14.913 1.00 72.20 H new ATOM 0 HB3 PRO A 27 -11.091 4.023 -14.308 1.00 72.20 H new ATOM 0 HG2 PRO A 27 -11.029 6.948 -13.536 1.00 54.53 H new ATOM 0 HG3 PRO A 27 -12.419 5.933 -13.867 1.00 54.53 H new ATOM 0 HD2 PRO A 27 -11.652 6.477 -11.310 1.00 62.03 H new ATOM 0 HD3 PRO A 27 -12.372 4.934 -11.727 1.00 62.03 H new ATOM 434 N GLY A 28 -8.140 6.613 -12.573 1.00 4.15 N ATOM 435 CA GLY A 28 -7.004 7.527 -12.751 1.00 11.24 C ATOM 436 C GLY A 28 -6.274 7.806 -11.449 1.00 73.33 C ATOM 437 O GLY A 28 -5.837 8.938 -11.204 1.00 41.32 O ATOM 0 H GLY A 28 -8.897 7.003 -12.011 1.00 4.15 H new ATOM 0 HA2 GLY A 28 -6.306 7.099 -13.471 1.00 11.24 H new ATOM 0 HA3 GLY A 28 -7.360 8.467 -13.173 1.00 11.24 H new ATOM 441 N ARG A 29 -6.148 6.769 -10.597 1.00 65.31 N ATOM 442 CA ARG A 29 -5.412 6.861 -9.321 1.00 42.32 C ATOM 443 C ARG A 29 -4.158 5.989 -9.358 1.00 72.32 C ATOM 444 O ARG A 29 -4.195 4.846 -9.834 1.00 12.14 O ATOM 445 CB ARG A 29 -6.312 6.461 -8.124 1.00 22.35 C ATOM 446 CG ARG A 29 -7.457 7.453 -7.843 1.00 54.03 C ATOM 447 CD ARG A 29 -6.962 8.854 -7.462 1.00 64.41 C ATOM 448 NE ARG A 29 -8.086 9.766 -7.206 1.00 65.34 N ATOM 449 CZ ARG A 29 -7.981 11.012 -6.722 1.00 74.33 C ATOM 450 NH1 ARG A 29 -6.795 11.541 -6.422 1.00 30.32 N ATOM 451 NH2 ARG A 29 -9.078 11.725 -6.536 1.00 40.31 N ATOM 0 H ARG A 29 -6.551 5.849 -10.773 1.00 65.31 H new ATOM 0 HA ARG A 29 -5.111 7.900 -9.185 1.00 42.32 H new ATOM 0 HB2 ARG A 29 -6.737 5.476 -8.315 1.00 22.35 H new ATOM 0 HB3 ARG A 29 -5.693 6.373 -7.231 1.00 22.35 H new ATOM 0 HG2 ARG A 29 -8.091 7.526 -8.727 1.00 54.03 H new ATOM 0 HG3 ARG A 29 -8.078 7.062 -7.037 1.00 54.03 H new ATOM 0 HD2 ARG A 29 -6.333 8.791 -6.574 1.00 64.41 H new ATOM 0 HD3 ARG A 29 -6.342 9.254 -8.264 1.00 64.41 H new ATOM 0 HE ARG A 29 -9.024 9.422 -7.414 1.00 65.34 H new ATOM 0 HH11 ARG A 29 -5.944 10.996 -6.560 1.00 30.32 H new ATOM 0 HH12 ARG A 29 -6.738 12.491 -6.055 1.00 30.32 H new ATOM 0 HH21 ARG A 29 -9.990 11.326 -6.760 1.00 40.31 H new ATOM 0 HH22 ARG A 29 -9.013 12.674 -6.168 1.00 40.31 H new ATOM 465 N GLU A 30 -3.048 6.558 -8.865 1.00 53.32 N ATOM 466 CA GLU A 30 -1.772 5.857 -8.722 1.00 30.04 C ATOM 467 C GLU A 30 -1.854 4.894 -7.523 1.00 11.21 C ATOM 468 O GLU A 30 -1.942 5.323 -6.369 1.00 70.50 O ATOM 469 CB GLU A 30 -0.622 6.888 -8.554 1.00 35.24 C ATOM 470 CG GLU A 30 -0.457 7.870 -9.736 1.00 21.02 C ATOM 471 CD GLU A 30 -0.079 7.179 -11.062 1.00 3.50 C ATOM 472 OE1 GLU A 30 1.128 7.018 -11.341 1.00 4.10 O ATOM 473 OE2 GLU A 30 -0.985 6.780 -11.830 1.00 22.42 O ATOM 0 H GLU A 30 -3.015 7.528 -8.552 1.00 53.32 H new ATOM 0 HA GLU A 30 -1.562 5.270 -9.616 1.00 30.04 H new ATOM 0 HB2 GLU A 30 -0.797 7.462 -7.644 1.00 35.24 H new ATOM 0 HB3 GLU A 30 0.314 6.348 -8.415 1.00 35.24 H new ATOM 0 HG2 GLU A 30 -1.388 8.419 -9.874 1.00 21.02 H new ATOM 0 HG3 GLU A 30 0.311 8.602 -9.485 1.00 21.02 H new ATOM 480 N ILE A 31 -1.885 3.589 -7.825 1.00 74.45 N ATOM 481 CA ILE A 31 -1.983 2.507 -6.827 1.00 62.40 C ATOM 482 C ILE A 31 -0.809 1.538 -7.036 1.00 23.11 C ATOM 483 O ILE A 31 -0.492 1.187 -8.178 1.00 1.02 O ATOM 484 CB ILE A 31 -3.355 1.744 -6.962 1.00 31.04 C ATOM 485 CG1 ILE A 31 -4.546 2.725 -6.701 1.00 55.34 C ATOM 486 CG2 ILE A 31 -3.420 0.510 -6.022 1.00 11.10 C ATOM 487 CD1 ILE A 31 -5.917 2.132 -6.939 1.00 72.32 C ATOM 0 H ILE A 31 -1.842 3.246 -8.785 1.00 74.45 H new ATOM 0 HA ILE A 31 -1.938 2.933 -5.825 1.00 62.40 H new ATOM 0 HB ILE A 31 -3.436 1.368 -7.982 1.00 31.04 H new ATOM 0 HG12 ILE A 31 -4.491 3.076 -5.670 1.00 55.34 H new ATOM 0 HG13 ILE A 31 -4.427 3.598 -7.342 1.00 55.34 H new ATOM 0 HG21 ILE A 31 -4.381 0.010 -6.144 1.00 11.10 H new ATOM 0 HG22 ILE A 31 -2.616 -0.182 -6.274 1.00 11.10 H new ATOM 0 HG23 ILE A 31 -3.308 0.834 -4.987 1.00 11.10 H new ATOM 0 HD11 ILE A 31 -6.679 2.884 -6.733 1.00 72.32 H new ATOM 0 HD12 ILE A 31 -5.998 1.808 -7.976 1.00 72.32 H new ATOM 0 HD13 ILE A 31 -6.063 1.277 -6.279 1.00 72.32 H new ATOM 499 N ARG A 32 -0.167 1.118 -5.932 1.00 52.34 N ATOM 500 CA ARG A 32 1.016 0.237 -5.967 1.00 5.44 C ATOM 501 C ARG A 32 0.715 -1.128 -5.340 1.00 13.11 C ATOM 502 O ARG A 32 -0.284 -1.311 -4.635 1.00 21.33 O ATOM 503 CB ARG A 32 2.205 0.905 -5.232 1.00 70.22 C ATOM 504 CG ARG A 32 2.726 2.198 -5.887 1.00 13.34 C ATOM 505 CD ARG A 32 3.176 1.989 -7.342 1.00 42.35 C ATOM 506 NE ARG A 32 3.832 3.179 -7.907 1.00 45.42 N ATOM 507 CZ ARG A 32 4.139 3.339 -9.206 1.00 63.22 C ATOM 508 NH1 ARG A 32 3.848 2.409 -10.108 1.00 13.41 N ATOM 509 NH2 ARG A 32 4.768 4.424 -9.593 1.00 42.03 N ATOM 0 H ARG A 32 -0.453 1.380 -4.989 1.00 52.34 H new ATOM 0 HA ARG A 32 1.282 0.079 -7.012 1.00 5.44 H new ATOM 0 HB2 ARG A 32 1.902 1.129 -4.209 1.00 70.22 H new ATOM 0 HB3 ARG A 32 3.025 0.189 -5.172 1.00 70.22 H new ATOM 0 HG2 ARG A 32 1.943 2.955 -5.859 1.00 13.34 H new ATOM 0 HG3 ARG A 32 3.563 2.583 -5.304 1.00 13.34 H new ATOM 0 HD2 ARG A 32 3.862 1.144 -7.388 1.00 42.35 H new ATOM 0 HD3 ARG A 32 2.311 1.731 -7.953 1.00 42.35 H new ATOM 0 HE ARG A 32 4.071 3.937 -7.267 1.00 45.42 H new ATOM 0 HH11 ARG A 32 3.381 1.549 -9.821 1.00 13.41 H new ATOM 0 HH12 ARG A 32 4.092 2.555 -11.088 1.00 13.41 H new ATOM 0 HH21 ARG A 32 5.020 5.138 -8.910 1.00 42.03 H new ATOM 0 HH22 ARG A 32 5.005 4.553 -10.577 1.00 42.03 H new ATOM 523 N THR A 33 1.606 -2.078 -5.620 1.00 22.14 N ATOM 524 CA THR A 33 1.572 -3.433 -5.076 1.00 31.42 C ATOM 525 C THR A 33 3.027 -3.930 -4.974 1.00 10.10 C ATOM 526 O THR A 33 3.775 -3.865 -5.957 1.00 74.55 O ATOM 527 CB THR A 33 0.716 -4.391 -5.977 1.00 42.21 C ATOM 528 OG1 THR A 33 -0.631 -3.895 -6.090 1.00 30.42 O ATOM 529 CG2 THR A 33 0.674 -5.832 -5.441 1.00 60.34 C ATOM 0 H THR A 33 2.393 -1.921 -6.249 1.00 22.14 H new ATOM 0 HA THR A 33 1.101 -3.427 -4.093 1.00 31.42 H new ATOM 0 HB THR A 33 1.199 -4.412 -6.954 1.00 42.21 H new ATOM 0 HG1 THR A 33 -0.837 -3.719 -7.032 1.00 30.42 H new ATOM 0 HG21 THR A 33 0.068 -6.449 -6.104 1.00 60.34 H new ATOM 0 HG22 THR A 33 1.686 -6.233 -5.396 1.00 60.34 H new ATOM 0 HG23 THR A 33 0.238 -5.836 -4.442 1.00 60.34 H new ATOM 537 N ALA A 34 3.422 -4.407 -3.783 1.00 3.30 N ATOM 538 CA ALA A 34 4.791 -4.864 -3.506 1.00 42.11 C ATOM 539 C ALA A 34 4.799 -6.345 -3.120 1.00 24.32 C ATOM 540 O ALA A 34 3.957 -6.792 -2.337 1.00 2.25 O ATOM 541 CB ALA A 34 5.404 -4.024 -2.380 1.00 4.20 C ATOM 0 H ALA A 34 2.796 -4.486 -2.981 1.00 3.30 H new ATOM 0 HA ALA A 34 5.387 -4.741 -4.410 1.00 42.11 H new ATOM 0 HB1 ALA A 34 6.419 -4.368 -2.180 1.00 4.20 H new ATOM 0 HB2 ALA A 34 5.429 -2.976 -2.680 1.00 4.20 H new ATOM 0 HB3 ALA A 34 4.801 -4.129 -1.478 1.00 4.20 H new ATOM 547 N THR A 35 5.746 -7.103 -3.688 1.00 73.25 N ATOM 548 CA THR A 35 6.000 -8.494 -3.285 1.00 53.15 C ATOM 549 C THR A 35 7.041 -8.496 -2.155 1.00 15.04 C ATOM 550 O THR A 35 6.844 -9.120 -1.108 1.00 71.11 O ATOM 551 CB THR A 35 6.520 -9.352 -4.485 1.00 33.20 C ATOM 552 OG1 THR A 35 5.632 -9.202 -5.598 1.00 25.34 O ATOM 553 CG2 THR A 35 6.644 -10.850 -4.130 1.00 74.40 C ATOM 0 H THR A 35 6.355 -6.772 -4.436 1.00 73.25 H new ATOM 0 HA THR A 35 5.064 -8.937 -2.943 1.00 53.15 H new ATOM 0 HB THR A 35 7.517 -8.990 -4.736 1.00 33.20 H new ATOM 0 HG1 THR A 35 5.958 -9.738 -6.351 1.00 25.34 H new ATOM 0 HG21 THR A 35 7.009 -11.400 -4.997 1.00 74.40 H new ATOM 0 HG22 THR A 35 7.343 -10.971 -3.303 1.00 74.40 H new ATOM 0 HG23 THR A 35 5.667 -11.237 -3.839 1.00 74.40 H new ATOM 561 N SER A 36 8.136 -7.756 -2.379 1.00 54.54 N ATOM 562 CA SER A 36 9.292 -7.738 -1.478 1.00 43.23 C ATOM 563 C SER A 36 9.867 -6.312 -1.355 1.00 50.24 C ATOM 564 O SER A 36 9.380 -5.368 -1.995 1.00 11.52 O ATOM 565 CB SER A 36 10.363 -8.741 -1.991 1.00 12.10 C ATOM 566 OG SER A 36 11.445 -8.868 -1.077 1.00 70.24 O ATOM 0 H SER A 36 8.243 -7.152 -3.194 1.00 54.54 H new ATOM 0 HA SER A 36 8.977 -8.046 -0.481 1.00 43.23 H new ATOM 0 HB2 SER A 36 9.903 -9.716 -2.148 1.00 12.10 H new ATOM 0 HB3 SER A 36 10.740 -8.408 -2.958 1.00 12.10 H new ATOM 0 HG SER A 36 12.098 -9.507 -1.430 1.00 70.24 H new ATOM 572 N SER A 37 10.922 -6.201 -0.522 1.00 51.21 N ATOM 573 CA SER A 37 11.644 -4.957 -0.202 1.00 70.51 C ATOM 574 C SER A 37 12.244 -4.257 -1.442 1.00 54.04 C ATOM 575 O SER A 37 12.483 -3.051 -1.405 1.00 31.30 O ATOM 576 CB SER A 37 12.733 -5.278 0.845 1.00 63.43 C ATOM 577 OG SER A 37 13.453 -6.449 0.488 1.00 75.24 O ATOM 0 H SER A 37 11.308 -7.010 -0.035 1.00 51.21 H new ATOM 0 HA SER A 37 10.926 -4.244 0.204 1.00 70.51 H new ATOM 0 HB2 SER A 37 13.420 -4.436 0.930 1.00 63.43 H new ATOM 0 HB3 SER A 37 12.273 -5.414 1.824 1.00 63.43 H new ATOM 0 HG SER A 37 14.138 -6.631 1.165 1.00 75.24 H new ATOM 583 N GLN A 38 12.477 -5.018 -2.528 1.00 22.44 N ATOM 584 CA GLN A 38 12.922 -4.466 -3.822 1.00 72.42 C ATOM 585 C GLN A 38 11.861 -3.478 -4.371 1.00 22.53 C ATOM 586 O GLN A 38 12.159 -2.294 -4.637 1.00 43.44 O ATOM 587 CB GLN A 38 13.170 -5.634 -4.822 1.00 74.41 C ATOM 588 CG GLN A 38 13.652 -5.205 -6.226 1.00 21.35 C ATOM 589 CD GLN A 38 15.020 -4.526 -6.220 1.00 14.24 C ATOM 590 OE1 GLN A 38 15.130 -3.303 -6.080 1.00 70.45 O ATOM 591 NE2 GLN A 38 16.079 -5.310 -6.351 1.00 71.43 N ATOM 0 H GLN A 38 12.362 -6.032 -2.533 1.00 22.44 H new ATOM 0 HA GLN A 38 13.854 -3.917 -3.688 1.00 72.42 H new ATOM 0 HB2 GLN A 38 13.910 -6.309 -4.392 1.00 74.41 H new ATOM 0 HB3 GLN A 38 12.246 -6.201 -4.930 1.00 74.41 H new ATOM 0 HG2 GLN A 38 13.694 -6.083 -6.871 1.00 21.35 H new ATOM 0 HG3 GLN A 38 12.920 -4.525 -6.661 1.00 21.35 H new ATOM 0 HE21 GLN A 38 15.958 -6.316 -6.465 1.00 71.43 H new ATOM 0 HE22 GLN A 38 17.016 -4.908 -6.338 1.00 71.43 H new ATOM 600 N ASP A 39 10.612 -3.989 -4.483 1.00 14.21 N ATOM 601 CA ASP A 39 9.439 -3.212 -4.930 1.00 34.52 C ATOM 602 C ASP A 39 9.235 -1.996 -4.028 1.00 12.42 C ATOM 603 O ASP A 39 9.051 -0.886 -4.511 1.00 40.14 O ATOM 604 CB ASP A 39 8.152 -4.075 -4.889 1.00 13.42 C ATOM 605 CG ASP A 39 8.248 -5.358 -5.713 1.00 42.40 C ATOM 606 OD1 ASP A 39 8.072 -5.292 -6.942 1.00 52.32 O ATOM 607 OD2 ASP A 39 8.508 -6.439 -5.135 1.00 43.11 O ATOM 0 H ASP A 39 10.392 -4.960 -4.263 1.00 14.21 H new ATOM 0 HA ASP A 39 9.628 -2.892 -5.955 1.00 34.52 H new ATOM 0 HB2 ASP A 39 7.931 -4.334 -3.853 1.00 13.42 H new ATOM 0 HB3 ASP A 39 7.314 -3.481 -5.254 1.00 13.42 H new ATOM 612 N ILE A 40 9.296 -2.262 -2.706 1.00 54.34 N ATOM 613 CA ILE A 40 9.148 -1.265 -1.633 1.00 54.12 C ATOM 614 C ILE A 40 10.010 0.000 -1.888 1.00 40.51 C ATOM 615 O ILE A 40 9.492 1.117 -1.880 1.00 23.21 O ATOM 616 CB ILE A 40 9.540 -1.928 -0.251 1.00 4.23 C ATOM 617 CG1 ILE A 40 8.492 -3.011 0.200 1.00 14.10 C ATOM 618 CG2 ILE A 40 9.799 -0.892 0.856 1.00 71.40 C ATOM 619 CD1 ILE A 40 7.088 -2.500 0.466 1.00 60.50 C ATOM 0 H ILE A 40 9.454 -3.204 -2.349 1.00 54.34 H new ATOM 0 HA ILE A 40 8.107 -0.941 -1.610 1.00 54.12 H new ATOM 0 HB ILE A 40 10.487 -2.441 -0.420 1.00 4.23 H new ATOM 0 HG12 ILE A 40 8.439 -3.781 -0.570 1.00 14.10 H new ATOM 0 HG13 ILE A 40 8.861 -3.492 1.106 1.00 14.10 H new ATOM 0 HG21 ILE A 40 10.064 -1.406 1.780 1.00 71.40 H new ATOM 0 HG22 ILE A 40 10.618 -0.237 0.557 1.00 71.40 H new ATOM 0 HG23 ILE A 40 8.899 -0.298 1.016 1.00 71.40 H new ATOM 0 HD11 ILE A 40 6.450 -3.330 0.770 1.00 60.50 H new ATOM 0 HD12 ILE A 40 7.117 -1.754 1.261 1.00 60.50 H new ATOM 0 HD13 ILE A 40 6.687 -2.048 -0.441 1.00 60.50 H new ATOM 631 N ARG A 41 11.318 -0.211 -2.144 1.00 54.12 N ATOM 632 CA ARG A 41 12.291 0.888 -2.338 1.00 52.23 C ATOM 633 C ARG A 41 12.005 1.666 -3.637 1.00 24.13 C ATOM 634 O ARG A 41 12.182 2.890 -3.679 1.00 0.12 O ATOM 635 CB ARG A 41 13.735 0.330 -2.341 1.00 14.31 C ATOM 636 CG ARG A 41 14.127 -0.401 -1.037 1.00 52.22 C ATOM 637 CD ARG A 41 15.523 -1.049 -1.113 1.00 73.24 C ATOM 638 NE ARG A 41 15.682 -1.932 -2.295 1.00 32.14 N ATOM 639 CZ ARG A 41 16.658 -2.845 -2.456 1.00 63.03 C ATOM 640 NH1 ARG A 41 17.574 -3.041 -1.511 1.00 13.21 N ATOM 641 NH2 ARG A 41 16.734 -3.528 -3.589 1.00 70.24 N ATOM 0 H ARG A 41 11.729 -1.141 -2.222 1.00 54.12 H new ATOM 0 HA ARG A 41 12.186 1.585 -1.506 1.00 52.23 H new ATOM 0 HB2 ARG A 41 13.846 -0.358 -3.179 1.00 14.31 H new ATOM 0 HB3 ARG A 41 14.431 1.152 -2.509 1.00 14.31 H new ATOM 0 HG2 ARG A 41 14.104 0.307 -0.208 1.00 52.22 H new ATOM 0 HG3 ARG A 41 13.386 -1.170 -0.820 1.00 52.22 H new ATOM 0 HD2 ARG A 41 16.281 -0.266 -1.145 1.00 73.24 H new ATOM 0 HD3 ARG A 41 15.700 -1.627 -0.206 1.00 73.24 H new ATOM 0 HE ARG A 41 14.997 -1.840 -3.045 1.00 32.14 H new ATOM 0 HH11 ARG A 41 17.543 -2.496 -0.650 1.00 13.21 H new ATOM 0 HH12 ARG A 41 18.307 -3.737 -1.648 1.00 13.21 H new ATOM 0 HH21 ARG A 41 16.056 -3.360 -4.332 1.00 70.24 H new ATOM 0 HH22 ARG A 41 17.471 -4.221 -3.718 1.00 70.24 H new ATOM 655 N ASP A 42 11.561 0.936 -4.689 1.00 63.43 N ATOM 656 CA ASP A 42 11.123 1.545 -5.974 1.00 40.22 C ATOM 657 C ASP A 42 9.887 2.456 -5.757 1.00 33.12 C ATOM 658 O ASP A 42 9.780 3.536 -6.355 1.00 4.24 O ATOM 659 CB ASP A 42 10.801 0.438 -7.024 1.00 1.13 C ATOM 660 CG ASP A 42 10.482 1.001 -8.431 1.00 63.24 C ATOM 661 OD1 ASP A 42 9.318 1.366 -8.704 1.00 54.40 O ATOM 662 OD2 ASP A 42 11.403 1.079 -9.274 1.00 64.52 O ATOM 0 H ASP A 42 11.496 -0.082 -4.674 1.00 63.43 H new ATOM 0 HA ASP A 42 11.940 2.158 -6.355 1.00 40.22 H new ATOM 0 HB2 ASP A 42 11.650 -0.242 -7.096 1.00 1.13 H new ATOM 0 HB3 ASP A 42 9.952 -0.149 -6.674 1.00 1.13 H new ATOM 667 N ILE A 43 8.976 2.006 -4.874 1.00 62.22 N ATOM 668 CA ILE A 43 7.709 2.701 -4.575 1.00 73.41 C ATOM 669 C ILE A 43 7.956 3.989 -3.760 1.00 32.01 C ATOM 670 O ILE A 43 7.314 5.010 -4.005 1.00 51.14 O ATOM 671 CB ILE A 43 6.715 1.754 -3.798 1.00 32.13 C ATOM 672 CG1 ILE A 43 6.293 0.535 -4.687 1.00 40.32 C ATOM 673 CG2 ILE A 43 5.475 2.526 -3.292 1.00 32.31 C ATOM 674 CD1 ILE A 43 5.500 -0.545 -3.963 1.00 5.44 C ATOM 0 H ILE A 43 9.099 1.143 -4.344 1.00 62.22 H new ATOM 0 HA ILE A 43 7.257 2.977 -5.527 1.00 73.41 H new ATOM 0 HB ILE A 43 7.242 1.370 -2.924 1.00 32.13 H new ATOM 0 HG12 ILE A 43 5.698 0.903 -5.523 1.00 40.32 H new ATOM 0 HG13 ILE A 43 7.191 0.084 -5.109 1.00 40.32 H new ATOM 0 HG21 ILE A 43 4.812 1.842 -2.762 1.00 32.31 H new ATOM 0 HG22 ILE A 43 5.792 3.321 -2.617 1.00 32.31 H new ATOM 0 HG23 ILE A 43 4.945 2.960 -4.140 1.00 32.31 H new ATOM 0 HD11 ILE A 43 5.254 -1.346 -4.661 1.00 5.44 H new ATOM 0 HD12 ILE A 43 6.097 -0.947 -3.144 1.00 5.44 H new ATOM 0 HD13 ILE A 43 4.580 -0.116 -3.565 1.00 5.44 H new ATOM 686 N ILE A 44 8.884 3.928 -2.796 1.00 24.42 N ATOM 687 CA ILE A 44 9.243 5.086 -1.948 1.00 22.52 C ATOM 688 C ILE A 44 10.017 6.135 -2.781 1.00 25.22 C ATOM 689 O ILE A 44 9.871 7.349 -2.576 1.00 23.12 O ATOM 690 CB ILE A 44 10.040 4.607 -0.674 1.00 34.22 C ATOM 691 CG1 ILE A 44 9.133 3.635 0.163 1.00 60.14 C ATOM 692 CG2 ILE A 44 10.533 5.800 0.190 1.00 51.20 C ATOM 693 CD1 ILE A 44 9.818 2.948 1.328 1.00 62.11 C ATOM 0 H ILE A 44 9.409 3.081 -2.578 1.00 24.42 H new ATOM 0 HA ILE A 44 8.336 5.571 -1.587 1.00 22.52 H new ATOM 0 HB ILE A 44 10.934 4.078 -1.003 1.00 34.22 H new ATOM 0 HG12 ILE A 44 8.282 4.198 0.545 1.00 60.14 H new ATOM 0 HG13 ILE A 44 8.736 2.871 -0.505 1.00 60.14 H new ATOM 0 HG21 ILE A 44 11.076 5.422 1.056 1.00 51.20 H new ATOM 0 HG22 ILE A 44 11.193 6.432 -0.405 1.00 51.20 H new ATOM 0 HG23 ILE A 44 9.676 6.384 0.526 1.00 51.20 H new ATOM 0 HD11 ILE A 44 9.105 2.300 1.839 1.00 62.11 H new ATOM 0 HD12 ILE A 44 10.652 2.350 0.959 1.00 62.11 H new ATOM 0 HD13 ILE A 44 10.190 3.699 2.025 1.00 62.11 H new ATOM 705 N LYS A 45 10.790 5.645 -3.767 1.00 24.52 N ATOM 706 CA LYS A 45 11.413 6.490 -4.803 1.00 63.15 C ATOM 707 C LYS A 45 10.319 7.164 -5.671 1.00 41.14 C ATOM 708 O LYS A 45 10.480 8.309 -6.073 1.00 63.24 O ATOM 709 CB LYS A 45 12.417 5.633 -5.643 1.00 71.44 C ATOM 710 CG LYS A 45 13.004 6.296 -6.936 1.00 34.04 C ATOM 711 CD LYS A 45 12.210 5.945 -8.229 1.00 3.13 C ATOM 712 CE LYS A 45 12.193 4.429 -8.510 1.00 5.22 C ATOM 713 NZ LYS A 45 11.393 4.070 -9.708 1.00 14.42 N ATOM 0 H LYS A 45 11.001 4.652 -3.868 1.00 24.52 H new ATOM 0 HA LYS A 45 11.984 7.295 -4.340 1.00 63.15 H new ATOM 0 HB2 LYS A 45 13.249 5.355 -4.997 1.00 71.44 H new ATOM 0 HB3 LYS A 45 11.916 4.710 -5.933 1.00 71.44 H new ATOM 0 HG2 LYS A 45 13.014 7.378 -6.808 1.00 34.04 H new ATOM 0 HG3 LYS A 45 14.040 5.980 -7.058 1.00 34.04 H new ATOM 0 HD2 LYS A 45 11.186 6.306 -8.134 1.00 3.13 H new ATOM 0 HD3 LYS A 45 12.654 6.465 -9.078 1.00 3.13 H new ATOM 0 HE2 LYS A 45 13.216 4.079 -8.645 1.00 5.22 H new ATOM 0 HE3 LYS A 45 11.790 3.909 -7.641 1.00 5.22 H new ATOM 0 HZ1 LYS A 45 11.320 3.035 -9.779 1.00 14.42 H new ATOM 0 HZ2 LYS A 45 10.441 4.480 -9.625 1.00 14.42 H new ATOM 0 HZ3 LYS A 45 11.858 4.443 -10.560 1.00 14.42 H new ATOM 727 N SER A 46 9.205 6.436 -5.929 1.00 32.41 N ATOM 728 CA SER A 46 8.029 6.968 -6.666 1.00 71.43 C ATOM 729 C SER A 46 7.264 8.010 -5.824 1.00 40.03 C ATOM 730 O SER A 46 6.688 8.963 -6.372 1.00 3.43 O ATOM 731 CB SER A 46 7.084 5.810 -7.073 1.00 42.32 C ATOM 732 OG SER A 46 5.956 6.288 -7.784 1.00 61.13 O ATOM 0 H SER A 46 9.095 5.466 -5.634 1.00 32.41 H new ATOM 0 HA SER A 46 8.392 7.465 -7.566 1.00 71.43 H new ATOM 0 HB2 SER A 46 7.628 5.094 -7.690 1.00 42.32 H new ATOM 0 HB3 SER A 46 6.755 5.277 -6.181 1.00 42.32 H new ATOM 0 HG SER A 46 5.140 6.076 -7.284 1.00 61.13 H new ATOM 738 N MET A 47 7.269 7.808 -4.493 1.00 52.52 N ATOM 739 CA MET A 47 6.660 8.736 -3.524 1.00 61.44 C ATOM 740 C MET A 47 7.383 10.089 -3.555 1.00 43.42 C ATOM 741 O MET A 47 6.754 11.143 -3.460 1.00 63.44 O ATOM 742 CB MET A 47 6.724 8.145 -2.084 1.00 61.24 C ATOM 743 CG MET A 47 5.789 6.952 -1.823 1.00 51.15 C ATOM 744 SD MET A 47 4.049 7.388 -1.980 1.00 0.43 S ATOM 745 CE MET A 47 3.897 8.702 -0.786 1.00 11.02 C ATOM 0 H MET A 47 7.698 6.991 -4.058 1.00 52.52 H new ATOM 0 HA MET A 47 5.616 8.880 -3.802 1.00 61.44 H new ATOM 0 HB2 MET A 47 7.749 7.834 -1.882 1.00 61.24 H new ATOM 0 HB3 MET A 47 6.485 8.936 -1.373 1.00 61.24 H new ATOM 0 HG2 MET A 47 6.024 6.151 -2.524 1.00 51.15 H new ATOM 0 HG3 MET A 47 5.973 6.563 -0.822 1.00 51.15 H new ATOM 0 HE1 MET A 47 2.870 9.068 -0.776 1.00 11.02 H new ATOM 0 HE2 MET A 47 4.158 8.327 0.203 1.00 11.02 H new ATOM 0 HE3 MET A 47 4.570 9.517 -1.054 1.00 11.02 H new ATOM 755 N LYS A 48 8.720 10.033 -3.672 1.00 25.31 N ATOM 756 CA LYS A 48 9.571 11.236 -3.708 1.00 32.52 C ATOM 757 C LYS A 48 9.683 11.828 -5.120 1.00 51.21 C ATOM 758 O LYS A 48 9.914 13.034 -5.265 1.00 50.51 O ATOM 759 CB LYS A 48 10.972 10.912 -3.159 1.00 65.11 C ATOM 760 CG LYS A 48 10.961 10.323 -1.734 1.00 44.34 C ATOM 761 CD LYS A 48 12.321 10.465 -1.036 1.00 14.42 C ATOM 762 CE LYS A 48 12.636 11.925 -0.652 1.00 62.42 C ATOM 763 NZ LYS A 48 13.982 12.063 -0.045 1.00 0.32 N ATOM 0 H LYS A 48 9.240 9.158 -3.744 1.00 25.31 H new ATOM 0 HA LYS A 48 9.096 11.987 -3.077 1.00 32.52 H new ATOM 0 HB2 LYS A 48 11.461 10.206 -3.830 1.00 65.11 H new ATOM 0 HB3 LYS A 48 11.572 11.822 -3.161 1.00 65.11 H new ATOM 0 HG2 LYS A 48 10.196 10.825 -1.141 1.00 44.34 H new ATOM 0 HG3 LYS A 48 10.687 9.269 -1.781 1.00 44.34 H new ATOM 0 HD2 LYS A 48 12.332 9.846 -0.139 1.00 14.42 H new ATOM 0 HD3 LYS A 48 13.105 10.088 -1.693 1.00 14.42 H new ATOM 0 HE2 LYS A 48 12.572 12.555 -1.539 1.00 62.42 H new ATOM 0 HE3 LYS A 48 11.884 12.286 0.049 1.00 62.42 H new ATOM 0 HZ1 LYS A 48 13.909 12.600 0.843 1.00 0.32 H new ATOM 0 HZ2 LYS A 48 14.372 11.119 0.152 1.00 0.32 H new ATOM 0 HZ3 LYS A 48 14.610 12.567 -0.704 1.00 0.32 H new ATOM 777 N ASP A 49 9.552 10.966 -6.149 1.00 22.44 N ATOM 778 CA ASP A 49 9.587 11.384 -7.568 1.00 2.34 C ATOM 779 C ASP A 49 8.455 12.374 -7.839 1.00 73.31 C ATOM 780 O ASP A 49 8.637 13.385 -8.523 1.00 62.40 O ATOM 781 CB ASP A 49 9.459 10.153 -8.506 1.00 44.15 C ATOM 782 CG ASP A 49 9.523 10.525 -9.999 1.00 15.41 C ATOM 783 OD1 ASP A 49 10.637 10.666 -10.536 1.00 13.23 O ATOM 784 OD2 ASP A 49 8.461 10.690 -10.640 1.00 20.23 O ATOM 0 H ASP A 49 9.419 9.963 -6.022 1.00 22.44 H new ATOM 0 HA ASP A 49 10.544 11.867 -7.769 1.00 2.34 H new ATOM 0 HB2 ASP A 49 10.257 9.446 -8.279 1.00 44.15 H new ATOM 0 HB3 ASP A 49 8.516 9.646 -8.304 1.00 44.15 H new ATOM 789 N ASN A 50 7.293 12.051 -7.271 1.00 54.21 N ATOM 790 CA ASN A 50 6.118 12.913 -7.269 1.00 63.42 C ATOM 791 C ASN A 50 5.254 12.503 -6.067 1.00 34.23 C ATOM 792 O ASN A 50 4.832 11.345 -5.980 1.00 3.03 O ATOM 793 CB ASN A 50 5.339 12.781 -8.605 1.00 21.21 C ATOM 794 CG ASN A 50 4.198 13.789 -8.725 1.00 74.44 C ATOM 795 OD1 ASN A 50 4.375 14.890 -9.250 1.00 4.54 O ATOM 796 ND2 ASN A 50 3.026 13.435 -8.231 1.00 72.32 N ATOM 0 H ASN A 50 7.142 11.164 -6.790 1.00 54.21 H new ATOM 0 HA ASN A 50 6.405 13.961 -7.181 1.00 63.42 H new ATOM 0 HB2 ASN A 50 6.029 12.918 -9.438 1.00 21.21 H new ATOM 0 HB3 ASN A 50 4.936 11.771 -8.688 1.00 21.21 H new ATOM 0 HD21 ASN A 50 2.237 14.080 -8.278 1.00 72.32 H new ATOM 0 HD22 ASN A 50 2.910 12.517 -7.802 1.00 72.32 H new ATOM 803 N GLY A 51 5.027 13.437 -5.135 1.00 62.24 N ATOM 804 CA GLY A 51 4.263 13.159 -3.922 1.00 5.42 C ATOM 805 C GLY A 51 2.759 13.119 -4.170 1.00 71.25 C ATOM 806 O GLY A 51 2.112 14.168 -4.213 1.00 3.01 O ATOM 0 H GLY A 51 5.366 14.397 -5.203 1.00 62.24 H new ATOM 0 HA2 GLY A 51 4.584 12.204 -3.506 1.00 5.42 H new ATOM 0 HA3 GLY A 51 4.484 13.922 -3.176 1.00 5.42 H new ATOM 810 N LYS A 52 2.209 11.903 -4.339 1.00 53.31 N ATOM 811 CA LYS A 52 0.752 11.675 -4.472 1.00 14.33 C ATOM 812 C LYS A 52 0.289 10.660 -3.397 1.00 72.40 C ATOM 813 O LYS A 52 1.138 9.984 -2.791 1.00 33.22 O ATOM 814 CB LYS A 52 0.375 11.165 -5.911 1.00 63.11 C ATOM 815 CG LYS A 52 0.612 9.655 -6.205 1.00 14.43 C ATOM 816 CD LYS A 52 2.094 9.275 -6.399 1.00 11.44 C ATOM 817 CE LYS A 52 2.679 9.826 -7.702 1.00 3.31 C ATOM 818 NZ LYS A 52 4.090 9.401 -7.885 1.00 23.05 N ATOM 0 H LYS A 52 2.761 11.046 -4.388 1.00 53.31 H new ATOM 0 HA LYS A 52 0.239 12.625 -4.321 1.00 14.33 H new ATOM 0 HB2 LYS A 52 -0.679 11.383 -6.083 1.00 63.11 H new ATOM 0 HB3 LYS A 52 0.944 11.746 -6.637 1.00 63.11 H new ATOM 0 HG2 LYS A 52 0.202 9.067 -5.383 1.00 14.43 H new ATOM 0 HG3 LYS A 52 0.057 9.379 -7.102 1.00 14.43 H new ATOM 0 HD2 LYS A 52 2.675 9.652 -5.557 1.00 11.44 H new ATOM 0 HD3 LYS A 52 2.190 8.189 -6.393 1.00 11.44 H new ATOM 0 HE2 LYS A 52 2.081 9.481 -8.546 1.00 3.31 H new ATOM 0 HE3 LYS A 52 2.623 10.915 -7.696 1.00 3.31 H new ATOM 0 HZ1 LYS A 52 4.367 9.535 -8.879 1.00 23.05 H new ATOM 0 HZ2 LYS A 52 4.707 9.973 -7.274 1.00 23.05 H new ATOM 0 HZ3 LYS A 52 4.186 8.397 -7.631 1.00 23.05 H new ATOM 832 N PRO A 53 -1.051 10.558 -3.114 1.00 22.15 N ATOM 833 CA PRO A 53 -1.595 9.448 -2.305 1.00 5.44 C ATOM 834 C PRO A 53 -1.458 8.078 -3.033 1.00 62.10 C ATOM 835 O PRO A 53 -2.217 7.777 -3.963 1.00 45.53 O ATOM 836 CB PRO A 53 -3.081 9.850 -2.076 1.00 53.40 C ATOM 837 CG PRO A 53 -3.409 10.796 -3.194 1.00 1.42 C ATOM 838 CD PRO A 53 -2.120 11.538 -3.491 1.00 51.43 C ATOM 0 HA PRO A 53 -1.057 9.308 -1.368 1.00 5.44 H new ATOM 0 HB2 PRO A 53 -3.733 8.977 -2.095 1.00 53.40 H new ATOM 0 HB3 PRO A 53 -3.215 10.326 -1.105 1.00 53.40 H new ATOM 0 HG2 PRO A 53 -3.762 10.257 -4.073 1.00 1.42 H new ATOM 0 HG3 PRO A 53 -4.201 11.486 -2.904 1.00 1.42 H new ATOM 0 HD2 PRO A 53 -2.053 11.819 -4.542 1.00 51.43 H new ATOM 0 HD3 PRO A 53 -2.044 12.457 -2.910 1.00 51.43 H new ATOM 846 N LEU A 54 -0.441 7.286 -2.631 1.00 43.12 N ATOM 847 CA LEU A 54 -0.264 5.889 -3.111 1.00 51.41 C ATOM 848 C LEU A 54 -0.948 4.921 -2.137 1.00 74.12 C ATOM 849 O LEU A 54 -1.134 5.242 -0.969 1.00 31.24 O ATOM 850 CB LEU A 54 1.249 5.505 -3.268 1.00 23.40 C ATOM 851 CG LEU A 54 1.982 6.035 -4.546 1.00 54.22 C ATOM 852 CD1 LEU A 54 3.465 5.600 -4.587 1.00 25.32 C ATOM 853 CD2 LEU A 54 1.260 5.580 -5.825 1.00 53.32 C ATOM 0 H LEU A 54 0.276 7.588 -1.972 1.00 43.12 H new ATOM 0 HA LEU A 54 -0.723 5.816 -4.097 1.00 51.41 H new ATOM 0 HB2 LEU A 54 1.785 5.871 -2.392 1.00 23.40 H new ATOM 0 HB3 LEU A 54 1.327 4.418 -3.258 1.00 23.40 H new ATOM 0 HG LEU A 54 1.956 7.124 -4.496 1.00 54.22 H new ATOM 0 HD11 LEU A 54 3.934 5.990 -5.491 1.00 25.32 H new ATOM 0 HD12 LEU A 54 3.983 5.991 -3.712 1.00 25.32 H new ATOM 0 HD13 LEU A 54 3.525 4.512 -4.588 1.00 25.32 H new ATOM 0 HD21 LEU A 54 1.790 5.962 -6.697 1.00 53.32 H new ATOM 0 HD22 LEU A 54 1.237 4.491 -5.862 1.00 53.32 H new ATOM 0 HD23 LEU A 54 0.240 5.964 -5.823 1.00 53.32 H new ATOM 865 N VAL A 55 -1.330 3.738 -2.632 1.00 4.43 N ATOM 866 CA VAL A 55 -1.882 2.649 -1.800 1.00 44.12 C ATOM 867 C VAL A 55 -1.094 1.366 -2.124 1.00 31.52 C ATOM 868 O VAL A 55 -1.309 0.773 -3.181 1.00 33.11 O ATOM 869 CB VAL A 55 -3.431 2.435 -2.065 1.00 22.31 C ATOM 870 CG1 VAL A 55 -4.009 1.321 -1.161 1.00 2.21 C ATOM 871 CG2 VAL A 55 -4.231 3.754 -1.892 1.00 60.25 C ATOM 0 H VAL A 55 -1.267 3.503 -3.623 1.00 4.43 H new ATOM 0 HA VAL A 55 -1.780 2.908 -0.746 1.00 44.12 H new ATOM 0 HB VAL A 55 -3.536 2.117 -3.102 1.00 22.31 H new ATOM 0 HG11 VAL A 55 -5.072 1.200 -1.368 1.00 2.21 H new ATOM 0 HG12 VAL A 55 -3.491 0.383 -1.363 1.00 2.21 H new ATOM 0 HG13 VAL A 55 -3.872 1.594 -0.115 1.00 2.21 H new ATOM 0 HG21 VAL A 55 -5.288 3.566 -2.082 1.00 60.25 H new ATOM 0 HG22 VAL A 55 -4.105 4.125 -0.875 1.00 60.25 H new ATOM 0 HG23 VAL A 55 -3.862 4.498 -2.598 1.00 60.25 H new ATOM 881 N VAL A 56 -0.146 0.971 -1.237 1.00 43.41 N ATOM 882 CA VAL A 56 0.713 -0.222 -1.452 1.00 45.11 C ATOM 883 C VAL A 56 0.073 -1.485 -0.861 1.00 51.54 C ATOM 884 O VAL A 56 0.037 -1.659 0.357 1.00 1.31 O ATOM 885 CB VAL A 56 2.149 -0.039 -0.836 1.00 25.14 C ATOM 886 CG1 VAL A 56 3.027 -1.311 -1.014 1.00 55.35 C ATOM 887 CG2 VAL A 56 2.839 1.180 -1.453 1.00 13.24 C ATOM 0 H VAL A 56 0.043 1.463 -0.364 1.00 43.41 H new ATOM 0 HA VAL A 56 0.810 -0.335 -2.532 1.00 45.11 H new ATOM 0 HB VAL A 56 2.028 0.123 0.235 1.00 25.14 H new ATOM 0 HG11 VAL A 56 4.009 -1.139 -0.574 1.00 55.35 H new ATOM 0 HG12 VAL A 56 2.549 -2.155 -0.517 1.00 55.35 H new ATOM 0 HG13 VAL A 56 3.138 -1.531 -2.076 1.00 55.35 H new ATOM 0 HG21 VAL A 56 3.832 1.295 -1.018 1.00 13.24 H new ATOM 0 HG22 VAL A 56 2.929 1.041 -2.530 1.00 13.24 H new ATOM 0 HG23 VAL A 56 2.248 2.074 -1.251 1.00 13.24 H new ATOM 897 N PHE A 57 -0.427 -2.348 -1.741 1.00 0.52 N ATOM 898 CA PHE A 57 -0.879 -3.692 -1.380 1.00 23.44 C ATOM 899 C PHE A 57 0.336 -4.648 -1.332 1.00 32.02 C ATOM 900 O PHE A 57 0.901 -4.970 -2.375 1.00 25.11 O ATOM 901 CB PHE A 57 -1.893 -4.188 -2.439 1.00 52.15 C ATOM 902 CG PHE A 57 -3.220 -3.431 -2.488 1.00 14.54 C ATOM 903 CD1 PHE A 57 -3.373 -2.285 -3.271 1.00 12.11 C ATOM 904 CD2 PHE A 57 -4.321 -3.875 -1.754 1.00 50.21 C ATOM 905 CE1 PHE A 57 -4.580 -1.614 -3.314 1.00 54.32 C ATOM 906 CE2 PHE A 57 -5.526 -3.199 -1.798 1.00 21.14 C ATOM 907 CZ PHE A 57 -5.654 -2.069 -2.578 1.00 15.55 C ATOM 0 H PHE A 57 -0.531 -2.134 -2.733 1.00 0.52 H new ATOM 0 HA PHE A 57 -1.357 -3.670 -0.401 1.00 23.44 H new ATOM 0 HB2 PHE A 57 -1.424 -4.127 -3.421 1.00 52.15 H new ATOM 0 HB3 PHE A 57 -2.103 -5.241 -2.250 1.00 52.15 H new ATOM 0 HD1 PHE A 57 -2.538 -1.919 -3.850 1.00 12.11 H new ATOM 0 HD2 PHE A 57 -4.230 -4.760 -1.142 1.00 50.21 H new ATOM 0 HE1 PHE A 57 -4.683 -0.730 -3.926 1.00 54.32 H new ATOM 0 HE2 PHE A 57 -6.367 -3.556 -1.222 1.00 21.14 H new ATOM 0 HZ PHE A 57 -6.595 -1.540 -2.613 1.00 15.55 H new ATOM 917 N VAL A 58 0.762 -5.088 -0.134 1.00 42.25 N ATOM 918 CA VAL A 58 1.862 -6.076 -0.011 1.00 20.12 C ATOM 919 C VAL A 58 1.292 -7.510 -0.020 1.00 74.54 C ATOM 920 O VAL A 58 0.445 -7.863 0.810 1.00 35.50 O ATOM 921 CB VAL A 58 2.788 -5.827 1.242 1.00 2.41 C ATOM 922 CG1 VAL A 58 3.628 -4.540 1.060 1.00 21.11 C ATOM 923 CG2 VAL A 58 1.992 -5.785 2.564 1.00 44.22 C ATOM 0 H VAL A 58 0.370 -4.782 0.757 1.00 42.25 H new ATOM 0 HA VAL A 58 2.507 -5.946 -0.880 1.00 20.12 H new ATOM 0 HB VAL A 58 3.467 -6.677 1.309 1.00 2.41 H new ATOM 0 HG11 VAL A 58 4.258 -4.390 1.937 1.00 21.11 H new ATOM 0 HG12 VAL A 58 4.256 -4.637 0.174 1.00 21.11 H new ATOM 0 HG13 VAL A 58 2.963 -3.685 0.941 1.00 21.11 H new ATOM 0 HG21 VAL A 58 2.676 -5.611 3.395 1.00 44.22 H new ATOM 0 HG22 VAL A 58 1.259 -4.979 2.522 1.00 44.22 H new ATOM 0 HG23 VAL A 58 1.478 -6.735 2.710 1.00 44.22 H new ATOM 933 N ASN A 59 1.753 -8.320 -0.998 1.00 10.44 N ATOM 934 CA ASN A 59 1.232 -9.676 -1.267 1.00 54.13 C ATOM 935 C ASN A 59 1.814 -10.694 -0.282 1.00 42.35 C ATOM 936 O ASN A 59 2.688 -11.492 -0.642 1.00 44.43 O ATOM 937 CB ASN A 59 1.555 -10.083 -2.738 1.00 12.21 C ATOM 938 CG ASN A 59 0.929 -9.170 -3.791 1.00 34.11 C ATOM 939 OD1 ASN A 59 1.528 -8.906 -4.830 1.00 11.44 O ATOM 940 ND2 ASN A 59 -0.291 -8.717 -3.561 1.00 35.34 N ATOM 0 H ASN A 59 2.506 -8.046 -1.629 1.00 10.44 H new ATOM 0 HA ASN A 59 0.150 -9.667 -1.132 1.00 54.13 H new ATOM 0 HB2 ASN A 59 2.637 -10.087 -2.873 1.00 12.21 H new ATOM 0 HB3 ASN A 59 1.209 -11.103 -2.905 1.00 12.21 H new ATOM 0 HD21 ASN A 59 -0.757 -8.133 -4.255 1.00 35.34 H new ATOM 0 HD22 ASN A 59 -0.766 -8.951 -2.689 1.00 35.34 H new ATOM 947 N GLY A 60 1.308 -10.657 0.970 1.00 65.44 N ATOM 948 CA GLY A 60 1.838 -11.485 2.058 1.00 22.41 C ATOM 949 C GLY A 60 3.342 -11.304 2.261 1.00 21.12 C ATOM 950 O GLY A 60 4.060 -12.275 2.522 1.00 71.34 O ATOM 0 H GLY A 60 0.530 -10.058 1.246 1.00 65.44 H new ATOM 0 HA2 GLY A 60 1.319 -11.237 2.984 1.00 22.41 H new ATOM 0 HA3 GLY A 60 1.628 -12.533 1.846 1.00 22.41 H new ATOM 954 N ALA A 61 3.819 -10.051 2.093 1.00 30.24 N ATOM 955 CA ALA A 61 5.249 -9.707 2.222 1.00 24.33 C ATOM 956 C ALA A 61 5.719 -9.902 3.667 1.00 61.11 C ATOM 957 O ALA A 61 4.951 -9.651 4.610 1.00 60.24 O ATOM 958 CB ALA A 61 5.505 -8.261 1.766 1.00 13.12 C ATOM 0 H ALA A 61 3.225 -9.254 1.865 1.00 30.24 H new ATOM 0 HA ALA A 61 5.820 -10.376 1.577 1.00 24.33 H new ATOM 0 HB1 ALA A 61 6.565 -8.029 1.870 1.00 13.12 H new ATOM 0 HB2 ALA A 61 5.210 -8.151 0.723 1.00 13.12 H new ATOM 0 HB3 ALA A 61 4.922 -7.577 2.382 1.00 13.12 H new ATOM 964 N SER A 62 6.979 -10.342 3.822 1.00 33.24 N ATOM 965 CA SER A 62 7.595 -10.604 5.131 1.00 74.04 C ATOM 966 C SER A 62 7.663 -9.322 5.973 1.00 62.12 C ATOM 967 O SER A 62 7.694 -8.213 5.424 1.00 15.42 O ATOM 968 CB SER A 62 9.013 -11.200 4.940 1.00 33.41 C ATOM 969 OG SER A 62 8.960 -12.462 4.288 1.00 2.32 O ATOM 0 H SER A 62 7.602 -10.527 3.036 1.00 33.24 H new ATOM 0 HA SER A 62 6.976 -11.325 5.664 1.00 74.04 H new ATOM 0 HB2 SER A 62 9.623 -10.512 4.355 1.00 33.41 H new ATOM 0 HB3 SER A 62 9.497 -11.310 5.910 1.00 33.41 H new ATOM 0 HG SER A 62 9.869 -12.813 4.180 1.00 2.32 H new ATOM 975 N GLN A 63 7.699 -9.490 7.312 1.00 24.31 N ATOM 976 CA GLN A 63 7.846 -8.363 8.257 1.00 65.53 C ATOM 977 C GLN A 63 9.178 -7.613 8.009 1.00 52.51 C ATOM 978 O GLN A 63 9.312 -6.451 8.378 1.00 24.22 O ATOM 979 CB GLN A 63 7.735 -8.854 9.728 1.00 73.44 C ATOM 980 CG GLN A 63 7.793 -7.723 10.784 1.00 14.54 C ATOM 981 CD GLN A 63 7.507 -8.199 12.207 1.00 43.51 C ATOM 982 OE1 GLN A 63 8.412 -8.602 12.939 1.00 20.22 O ATOM 983 NE2 GLN A 63 6.249 -8.145 12.616 1.00 21.33 N ATOM 0 H GLN A 63 7.628 -10.401 7.765 1.00 24.31 H new ATOM 0 HA GLN A 63 7.031 -7.661 8.084 1.00 65.53 H new ATOM 0 HB2 GLN A 63 6.798 -9.399 9.847 1.00 73.44 H new ATOM 0 HB3 GLN A 63 8.542 -9.560 9.925 1.00 73.44 H new ATOM 0 HG2 GLN A 63 8.780 -7.261 10.756 1.00 14.54 H new ATOM 0 HG3 GLN A 63 7.072 -6.950 10.517 1.00 14.54 H new ATOM 0 HE21 GLN A 63 5.522 -7.806 11.986 1.00 21.33 H new ATOM 0 HE22 GLN A 63 6.007 -8.442 13.561 1.00 21.33 H new ATOM 992 N ASN A 64 10.138 -8.306 7.355 1.00 12.10 N ATOM 993 CA ASN A 64 11.379 -7.701 6.835 1.00 0.55 C ATOM 994 C ASN A 64 11.036 -6.556 5.872 1.00 52.33 C ATOM 995 O ASN A 64 11.417 -5.422 6.103 1.00 74.14 O ATOM 996 CB ASN A 64 12.248 -8.756 6.086 1.00 44.41 C ATOM 997 CG ASN A 64 12.621 -9.980 6.924 1.00 10.13 C ATOM 998 OD1 ASN A 64 11.857 -10.442 7.769 1.00 74.20 O ATOM 999 ND2 ASN A 64 13.811 -10.514 6.701 1.00 73.14 N ATOM 0 H ASN A 64 10.070 -9.307 7.174 1.00 12.10 H new ATOM 0 HA ASN A 64 11.948 -7.318 7.682 1.00 0.55 H new ATOM 0 HB2 ASN A 64 11.709 -9.089 5.199 1.00 44.41 H new ATOM 0 HB3 ASN A 64 13.163 -8.275 5.741 1.00 44.41 H new ATOM 0 HD21 ASN A 64 14.113 -11.328 7.236 1.00 73.14 H new ATOM 0 HD22 ASN A 64 14.426 -10.112 5.994 1.00 73.14 H new ATOM 1006 N ASP A 65 10.237 -6.895 4.834 1.00 61.52 N ATOM 1007 CA ASP A 65 9.849 -5.968 3.742 1.00 44.14 C ATOM 1008 C ASP A 65 8.984 -4.811 4.281 1.00 22.13 C ATOM 1009 O ASP A 65 9.069 -3.679 3.797 1.00 30.31 O ATOM 1010 CB ASP A 65 9.072 -6.732 2.624 1.00 63.23 C ATOM 1011 CG ASP A 65 9.756 -8.037 2.162 1.00 21.30 C ATOM 1012 OD1 ASP A 65 10.980 -8.026 1.885 1.00 11.52 O ATOM 1013 OD2 ASP A 65 9.071 -9.081 2.046 1.00 23.32 O ATOM 0 H ASP A 65 9.839 -7.828 4.729 1.00 61.52 H new ATOM 0 HA ASP A 65 10.763 -5.551 3.319 1.00 44.14 H new ATOM 0 HB2 ASP A 65 8.072 -6.967 2.987 1.00 63.23 H new ATOM 0 HB3 ASP A 65 8.952 -6.073 1.764 1.00 63.23 H new ATOM 1018 N VAL A 66 8.153 -5.134 5.295 1.00 31.52 N ATOM 1019 CA VAL A 66 7.305 -4.162 6.008 1.00 61.34 C ATOM 1020 C VAL A 66 8.181 -3.145 6.774 1.00 31.40 C ATOM 1021 O VAL A 66 7.930 -1.938 6.721 1.00 52.24 O ATOM 1022 CB VAL A 66 6.311 -4.890 6.997 1.00 22.05 C ATOM 1023 CG1 VAL A 66 5.461 -3.878 7.810 1.00 4.33 C ATOM 1024 CG2 VAL A 66 5.404 -5.890 6.227 1.00 3.22 C ATOM 0 H VAL A 66 8.053 -6.088 5.643 1.00 31.52 H new ATOM 0 HA VAL A 66 6.710 -3.626 5.268 1.00 61.34 H new ATOM 0 HB VAL A 66 6.912 -5.452 7.712 1.00 22.05 H new ATOM 0 HG11 VAL A 66 4.791 -4.419 8.478 1.00 4.33 H new ATOM 0 HG12 VAL A 66 6.120 -3.239 8.397 1.00 4.33 H new ATOM 0 HG13 VAL A 66 4.874 -3.264 7.127 1.00 4.33 H new ATOM 0 HG21 VAL A 66 4.727 -6.380 6.927 1.00 3.22 H new ATOM 0 HG22 VAL A 66 4.824 -5.352 5.477 1.00 3.22 H new ATOM 0 HG23 VAL A 66 6.024 -6.640 5.736 1.00 3.22 H new ATOM 1034 N ASN A 67 9.225 -3.651 7.458 1.00 1.24 N ATOM 1035 CA ASN A 67 10.176 -2.805 8.210 1.00 42.41 C ATOM 1036 C ASN A 67 11.017 -1.954 7.254 1.00 70.13 C ATOM 1037 O ASN A 67 11.297 -0.800 7.561 1.00 55.33 O ATOM 1038 CB ASN A 67 11.093 -3.650 9.141 1.00 75.04 C ATOM 1039 CG ASN A 67 10.348 -4.253 10.335 1.00 33.31 C ATOM 1040 OD1 ASN A 67 9.341 -3.713 10.802 1.00 4.01 O ATOM 1041 ND2 ASN A 67 10.849 -5.361 10.852 1.00 30.35 N ATOM 0 H ASN A 67 9.433 -4.648 7.506 1.00 1.24 H new ATOM 0 HA ASN A 67 9.589 -2.141 8.844 1.00 42.41 H new ATOM 0 HB2 ASN A 67 11.547 -4.453 8.561 1.00 75.04 H new ATOM 0 HB3 ASN A 67 11.905 -3.022 9.507 1.00 75.04 H new ATOM 0 HD21 ASN A 67 10.402 -5.794 11.660 1.00 30.35 H new ATOM 0 HD22 ASN A 67 11.683 -5.783 10.443 1.00 30.35 H new ATOM 1048 N GLU A 68 11.378 -2.527 6.085 1.00 54.43 N ATOM 1049 CA GLU A 68 12.108 -1.799 5.030 1.00 60.11 C ATOM 1050 C GLU A 68 11.255 -0.629 4.512 1.00 61.10 C ATOM 1051 O GLU A 68 11.776 0.439 4.225 1.00 2.34 O ATOM 1052 CB GLU A 68 12.494 -2.737 3.850 1.00 2.23 C ATOM 1053 CG GLU A 68 13.432 -3.910 4.217 1.00 24.20 C ATOM 1054 CD GLU A 68 14.733 -3.476 4.912 1.00 73.02 C ATOM 1055 OE1 GLU A 68 15.607 -2.877 4.244 1.00 63.41 O ATOM 1056 OE2 GLU A 68 14.898 -3.724 6.129 1.00 10.31 O ATOM 0 H GLU A 68 11.173 -3.498 5.850 1.00 54.43 H new ATOM 0 HA GLU A 68 13.029 -1.413 5.467 1.00 60.11 H new ATOM 0 HB2 GLU A 68 11.580 -3.146 3.419 1.00 2.23 H new ATOM 0 HB3 GLU A 68 12.973 -2.139 3.074 1.00 2.23 H new ATOM 0 HG2 GLU A 68 12.896 -4.600 4.869 1.00 24.20 H new ATOM 0 HG3 GLU A 68 13.683 -4.459 3.309 1.00 24.20 H new ATOM 1063 N PHE A 69 9.926 -0.853 4.429 1.00 42.15 N ATOM 1064 CA PHE A 69 8.965 0.172 3.993 1.00 13.33 C ATOM 1065 C PHE A 69 8.968 1.353 4.962 1.00 0.12 C ATOM 1066 O PHE A 69 9.127 2.497 4.553 1.00 53.14 O ATOM 1067 CB PHE A 69 7.543 -0.436 3.867 1.00 5.30 C ATOM 1068 CG PHE A 69 6.514 0.510 3.256 1.00 4.12 C ATOM 1069 CD1 PHE A 69 6.420 0.651 1.871 1.00 1.41 C ATOM 1070 CD2 PHE A 69 5.650 1.258 4.053 1.00 11.10 C ATOM 1071 CE1 PHE A 69 5.494 1.492 1.304 1.00 40.12 C ATOM 1072 CE2 PHE A 69 4.722 2.100 3.481 1.00 21.14 C ATOM 1073 CZ PHE A 69 4.648 2.215 2.108 1.00 73.43 C ATOM 0 H PHE A 69 9.495 -1.747 4.662 1.00 42.15 H new ATOM 0 HA PHE A 69 9.267 0.537 3.011 1.00 13.33 H new ATOM 0 HB2 PHE A 69 7.598 -1.338 3.258 1.00 5.30 H new ATOM 0 HB3 PHE A 69 7.200 -0.739 4.856 1.00 5.30 H new ATOM 0 HD1 PHE A 69 7.087 0.089 1.234 1.00 1.41 H new ATOM 0 HD2 PHE A 69 5.708 1.177 5.128 1.00 11.10 H new ATOM 0 HE1 PHE A 69 5.432 1.584 0.230 1.00 40.12 H new ATOM 0 HE2 PHE A 69 4.052 2.670 4.107 1.00 21.14 H new ATOM 0 HZ PHE A 69 3.920 2.878 1.663 1.00 73.43 H new ATOM 1083 N GLN A 70 8.822 1.028 6.247 1.00 34.33 N ATOM 1084 CA GLN A 70 8.717 2.013 7.327 1.00 63.14 C ATOM 1085 C GLN A 70 10.008 2.838 7.466 1.00 45.33 C ATOM 1086 O GLN A 70 9.953 4.063 7.539 1.00 43.43 O ATOM 1087 CB GLN A 70 8.392 1.278 8.643 1.00 64.43 C ATOM 1088 CG GLN A 70 7.070 0.485 8.599 1.00 60.33 C ATOM 1089 CD GLN A 70 6.838 -0.409 9.810 1.00 32.42 C ATOM 1090 OE1 GLN A 70 5.704 -0.613 10.232 1.00 42.54 O ATOM 1091 NE2 GLN A 70 7.904 -0.981 10.358 1.00 65.13 N ATOM 0 H GLN A 70 8.773 0.062 6.572 1.00 34.33 H new ATOM 0 HA GLN A 70 7.916 2.714 7.090 1.00 63.14 H new ATOM 0 HB2 GLN A 70 9.208 0.595 8.878 1.00 64.43 H new ATOM 0 HB3 GLN A 70 8.342 2.006 9.453 1.00 64.43 H new ATOM 0 HG2 GLN A 70 6.241 1.187 8.516 1.00 60.33 H new ATOM 0 HG3 GLN A 70 7.058 -0.130 7.699 1.00 60.33 H new ATOM 0 HE21 GLN A 70 8.834 -0.791 9.984 1.00 65.13 H new ATOM 0 HE22 GLN A 70 7.793 -1.610 11.153 1.00 65.13 H new ATOM 1100 N ASN A 71 11.158 2.134 7.456 1.00 43.13 N ATOM 1101 CA ASN A 71 12.494 2.737 7.613 1.00 74.55 C ATOM 1102 C ASN A 71 12.792 3.689 6.456 1.00 44.52 C ATOM 1103 O ASN A 71 13.052 4.882 6.682 1.00 43.11 O ATOM 1104 CB ASN A 71 13.590 1.638 7.699 1.00 51.43 C ATOM 1105 CG ASN A 71 13.552 0.821 8.994 1.00 11.32 C ATOM 1106 OD1 ASN A 71 13.230 1.338 10.066 1.00 42.12 O ATOM 1107 ND2 ASN A 71 13.860 -0.461 8.898 1.00 4.12 N ATOM 0 H ASN A 71 11.184 1.121 7.337 1.00 43.13 H new ATOM 0 HA ASN A 71 12.501 3.304 8.544 1.00 74.55 H new ATOM 0 HB2 ASN A 71 13.479 0.962 6.851 1.00 51.43 H new ATOM 0 HB3 ASN A 71 14.569 2.108 7.606 1.00 51.43 H new ATOM 0 HD21 ASN A 71 13.835 -1.055 9.727 1.00 4.12 H new ATOM 0 HD22 ASN A 71 14.122 -0.856 7.995 1.00 4.12 H new ATOM 1114 N GLU A 72 12.699 3.158 5.223 1.00 71.13 N ATOM 1115 CA GLU A 72 13.042 3.902 4.002 1.00 24.22 C ATOM 1116 C GLU A 72 12.049 5.045 3.730 1.00 23.53 C ATOM 1117 O GLU A 72 12.387 5.988 3.023 1.00 75.31 O ATOM 1118 CB GLU A 72 13.147 2.967 2.763 1.00 61.12 C ATOM 1119 CG GLU A 72 14.219 1.853 2.860 1.00 44.35 C ATOM 1120 CD GLU A 72 15.596 2.355 3.324 1.00 41.20 C ATOM 1121 OE1 GLU A 72 16.166 3.258 2.676 1.00 42.31 O ATOM 1122 OE2 GLU A 72 16.121 1.853 4.343 1.00 34.31 O ATOM 0 H GLU A 72 12.385 2.204 5.048 1.00 71.13 H new ATOM 0 HA GLU A 72 14.024 4.343 4.175 1.00 24.22 H new ATOM 0 HB2 GLU A 72 12.176 2.500 2.598 1.00 61.12 H new ATOM 0 HB3 GLU A 72 13.360 3.577 1.885 1.00 61.12 H new ATOM 0 HG2 GLU A 72 13.871 1.086 3.551 1.00 44.35 H new ATOM 0 HG3 GLU A 72 14.326 1.378 1.885 1.00 44.35 H new ATOM 1129 N ALA A 73 10.824 4.950 4.277 1.00 4.23 N ATOM 1130 CA ALA A 73 9.827 6.027 4.163 1.00 12.12 C ATOM 1131 C ALA A 73 10.141 7.172 5.146 1.00 60.20 C ATOM 1132 O ALA A 73 10.323 8.317 4.722 1.00 51.03 O ATOM 1133 CB ALA A 73 8.405 5.485 4.377 1.00 72.11 C ATOM 0 H ALA A 73 10.501 4.137 4.803 1.00 4.23 H new ATOM 0 HA ALA A 73 9.879 6.431 3.152 1.00 12.12 H new ATOM 0 HB1 ALA A 73 7.687 6.301 4.288 1.00 72.11 H new ATOM 0 HB2 ALA A 73 8.188 4.727 3.625 1.00 72.11 H new ATOM 0 HB3 ALA A 73 8.330 5.043 5.370 1.00 72.11 H new ATOM 1139 N LYS A 74 10.253 6.847 6.458 1.00 22.22 N ATOM 1140 CA LYS A 74 10.350 7.874 7.522 1.00 71.12 C ATOM 1141 C LYS A 74 11.670 8.650 7.472 1.00 11.43 C ATOM 1142 O LYS A 74 11.693 9.844 7.788 1.00 51.52 O ATOM 1143 CB LYS A 74 10.074 7.284 8.946 1.00 2.22 C ATOM 1144 CG LYS A 74 11.052 6.213 9.516 1.00 31.01 C ATOM 1145 CD LYS A 74 12.327 6.796 10.184 1.00 41.41 C ATOM 1146 CE LYS A 74 13.036 5.782 11.098 1.00 43.14 C ATOM 1147 NZ LYS A 74 13.306 4.489 10.415 1.00 44.11 N ATOM 0 H LYS A 74 10.278 5.887 6.802 1.00 22.22 H new ATOM 0 HA LYS A 74 9.557 8.594 7.319 1.00 71.12 H new ATOM 0 HB2 LYS A 74 10.049 8.116 9.649 1.00 2.22 H new ATOM 0 HB3 LYS A 74 9.076 6.847 8.935 1.00 2.22 H new ATOM 0 HG2 LYS A 74 10.519 5.606 10.248 1.00 31.01 H new ATOM 0 HG3 LYS A 74 11.353 5.547 8.707 1.00 31.01 H new ATOM 0 HD2 LYS A 74 13.019 7.126 9.409 1.00 41.41 H new ATOM 0 HD3 LYS A 74 12.056 7.677 10.767 1.00 41.41 H new ATOM 0 HE2 LYS A 74 13.977 6.208 11.447 1.00 43.14 H new ATOM 0 HE3 LYS A 74 12.422 5.602 11.980 1.00 43.14 H new ATOM 0 HZ1 LYS A 74 14.154 4.050 10.826 1.00 44.11 H new ATOM 0 HZ2 LYS A 74 12.492 3.854 10.540 1.00 44.11 H new ATOM 0 HZ3 LYS A 74 13.461 4.658 9.401 1.00 44.11 H new ATOM 1161 N LYS A 75 12.762 7.975 7.048 1.00 13.33 N ATOM 1162 CA LYS A 75 14.091 8.615 6.920 1.00 1.32 C ATOM 1163 C LYS A 75 14.061 9.693 5.822 1.00 54.30 C ATOM 1164 O LYS A 75 14.821 10.658 5.870 1.00 25.11 O ATOM 1165 CB LYS A 75 15.204 7.578 6.601 1.00 13.41 C ATOM 1166 CG LYS A 75 15.084 6.913 5.208 1.00 31.02 C ATOM 1167 CD LYS A 75 16.308 6.062 4.825 1.00 72.53 C ATOM 1168 CE LYS A 75 16.570 4.914 5.805 1.00 65.43 C ATOM 1169 NZ LYS A 75 17.719 4.086 5.373 1.00 72.44 N ATOM 0 H LYS A 75 12.749 6.989 6.789 1.00 13.33 H new ATOM 0 HA LYS A 75 14.323 9.075 7.880 1.00 1.32 H new ATOM 0 HB2 LYS A 75 16.173 8.072 6.671 1.00 13.41 H new ATOM 0 HB3 LYS A 75 15.187 6.799 7.364 1.00 13.41 H new ATOM 0 HG2 LYS A 75 14.194 6.284 5.190 1.00 31.02 H new ATOM 0 HG3 LYS A 75 14.941 7.688 4.455 1.00 31.02 H new ATOM 0 HD2 LYS A 75 16.160 5.653 3.826 1.00 72.53 H new ATOM 0 HD3 LYS A 75 17.189 6.702 4.780 1.00 72.53 H new ATOM 0 HE2 LYS A 75 16.764 5.319 6.798 1.00 65.43 H new ATOM 0 HE3 LYS A 75 15.679 4.290 5.884 1.00 65.43 H new ATOM 0 HZ1 LYS A 75 17.376 3.161 5.044 1.00 72.44 H new ATOM 0 HZ2 LYS A 75 18.220 4.565 4.598 1.00 72.44 H new ATOM 0 HZ3 LYS A 75 18.369 3.949 6.173 1.00 72.44 H new ATOM 1183 N GLU A 76 13.168 9.491 4.836 1.00 3.21 N ATOM 1184 CA GLU A 76 12.996 10.379 3.683 1.00 61.24 C ATOM 1185 C GLU A 76 11.875 11.401 3.914 1.00 74.45 C ATOM 1186 O GLU A 76 11.619 12.232 3.043 1.00 21.40 O ATOM 1187 CB GLU A 76 12.683 9.528 2.429 1.00 50.25 C ATOM 1188 CG GLU A 76 13.779 8.519 2.039 1.00 40.21 C ATOM 1189 CD GLU A 76 15.148 9.165 1.777 1.00 75.52 C ATOM 1190 OE1 GLU A 76 15.365 9.691 0.666 1.00 70.20 O ATOM 1191 OE2 GLU A 76 16.007 9.163 2.680 1.00 61.30 O ATOM 0 H GLU A 76 12.537 8.690 4.823 1.00 3.21 H new ATOM 0 HA GLU A 76 13.922 10.935 3.539 1.00 61.24 H new ATOM 0 HB2 GLU A 76 11.754 8.985 2.599 1.00 50.25 H new ATOM 0 HB3 GLU A 76 12.511 10.198 1.587 1.00 50.25 H new ATOM 0 HG2 GLU A 76 13.881 7.782 2.835 1.00 40.21 H new ATOM 0 HG3 GLU A 76 13.464 7.981 1.145 1.00 40.21 H new ATOM 1198 N GLY A 77 11.190 11.306 5.073 1.00 62.41 N ATOM 1199 CA GLY A 77 10.077 12.197 5.408 1.00 3.03 C ATOM 1200 C GLY A 77 8.752 11.798 4.763 1.00 64.41 C ATOM 1201 O GLY A 77 7.758 12.523 4.892 1.00 63.44 O ATOM 0 H GLY A 77 11.396 10.613 5.793 1.00 62.41 H new ATOM 0 HA2 GLY A 77 9.952 12.216 6.491 1.00 3.03 H new ATOM 0 HA3 GLY A 77 10.330 13.211 5.099 1.00 3.03 H new ATOM 1205 N VAL A 78 8.746 10.649 4.063 1.00 4.31 N ATOM 1206 CA VAL A 78 7.559 10.107 3.384 1.00 21.33 C ATOM 1207 C VAL A 78 6.578 9.544 4.426 1.00 14.24 C ATOM 1208 O VAL A 78 6.902 8.580 5.135 1.00 53.05 O ATOM 1209 CB VAL A 78 7.959 8.980 2.356 1.00 4.03 C ATOM 1210 CG1 VAL A 78 6.715 8.343 1.687 1.00 0.23 C ATOM 1211 CG2 VAL A 78 8.951 9.522 1.297 1.00 22.40 C ATOM 0 H VAL A 78 9.575 10.066 3.953 1.00 4.31 H new ATOM 0 HA VAL A 78 7.080 10.915 2.831 1.00 21.33 H new ATOM 0 HB VAL A 78 8.461 8.191 2.916 1.00 4.03 H new ATOM 0 HG11 VAL A 78 7.034 7.572 0.986 1.00 0.23 H new ATOM 0 HG12 VAL A 78 6.079 7.898 2.452 1.00 0.23 H new ATOM 0 HG13 VAL A 78 6.156 9.111 1.152 1.00 0.23 H new ATOM 0 HG21 VAL A 78 9.211 8.725 0.600 1.00 22.40 H new ATOM 0 HG22 VAL A 78 8.488 10.344 0.752 1.00 22.40 H new ATOM 0 HG23 VAL A 78 9.854 9.879 1.793 1.00 22.40 H new ATOM 1221 N SER A 79 5.401 10.178 4.528 1.00 44.41 N ATOM 1222 CA SER A 79 4.348 9.771 5.458 1.00 63.24 C ATOM 1223 C SER A 79 3.700 8.465 4.957 1.00 34.23 C ATOM 1224 O SER A 79 3.419 8.320 3.762 1.00 72.32 O ATOM 1225 CB SER A 79 3.298 10.902 5.601 1.00 43.33 C ATOM 1226 OG SER A 79 2.303 10.571 6.556 1.00 74.43 O ATOM 0 H SER A 79 5.156 10.991 3.963 1.00 44.41 H new ATOM 0 HA SER A 79 4.777 9.589 6.443 1.00 63.24 H new ATOM 0 HB2 SER A 79 3.795 11.826 5.897 1.00 43.33 H new ATOM 0 HB3 SER A 79 2.829 11.088 4.635 1.00 43.33 H new ATOM 0 HG SER A 79 1.657 11.305 6.624 1.00 74.43 H new ATOM 1232 N TYR A 80 3.490 7.517 5.874 1.00 55.44 N ATOM 1233 CA TYR A 80 2.938 6.190 5.566 1.00 22.24 C ATOM 1234 C TYR A 80 1.921 5.799 6.638 1.00 23.52 C ATOM 1235 O TYR A 80 2.025 6.233 7.788 1.00 42.31 O ATOM 1236 CB TYR A 80 4.074 5.137 5.449 1.00 25.34 C ATOM 1237 CG TYR A 80 4.937 4.958 6.713 1.00 35.21 C ATOM 1238 CD1 TYR A 80 5.975 5.848 7.003 1.00 23.21 C ATOM 1239 CD2 TYR A 80 4.719 3.904 7.613 1.00 34.35 C ATOM 1240 CE1 TYR A 80 6.754 5.700 8.124 1.00 50.02 C ATOM 1241 CE2 TYR A 80 5.505 3.756 8.742 1.00 72.34 C ATOM 1242 CZ TYR A 80 6.520 4.656 8.992 1.00 63.10 C ATOM 1243 OH TYR A 80 7.317 4.507 10.109 1.00 21.51 O ATOM 0 H TYR A 80 3.700 7.648 6.863 1.00 55.44 H new ATOM 0 HA TYR A 80 2.429 6.226 4.603 1.00 22.24 H new ATOM 0 HB2 TYR A 80 3.631 4.175 5.192 1.00 25.34 H new ATOM 0 HB3 TYR A 80 4.725 5.419 4.621 1.00 25.34 H new ATOM 0 HD1 TYR A 80 6.169 6.670 6.330 1.00 23.21 H new ATOM 0 HD2 TYR A 80 3.925 3.197 7.422 1.00 34.35 H new ATOM 0 HE1 TYR A 80 7.550 6.402 8.325 1.00 50.02 H new ATOM 0 HE2 TYR A 80 5.325 2.939 9.425 1.00 72.34 H new ATOM 0 HH TYR A 80 7.022 3.724 10.619 1.00 21.51 H new ATOM 1253 N ASP A 81 0.948 4.979 6.248 1.00 70.25 N ATOM 1254 CA ASP A 81 -0.136 4.532 7.132 1.00 11.11 C ATOM 1255 C ASP A 81 -0.313 3.024 6.962 1.00 1.20 C ATOM 1256 O ASP A 81 -0.569 2.555 5.859 1.00 71.40 O ATOM 1257 CB ASP A 81 -1.450 5.268 6.773 1.00 31.51 C ATOM 1258 CG ASP A 81 -2.591 4.995 7.771 1.00 42.23 C ATOM 1259 OD1 ASP A 81 -3.300 3.977 7.636 1.00 21.24 O ATOM 1260 OD2 ASP A 81 -2.796 5.808 8.702 1.00 22.54 O ATOM 0 H ASP A 81 0.885 4.601 5.303 1.00 70.25 H new ATOM 0 HA ASP A 81 0.112 4.759 8.169 1.00 11.11 H new ATOM 0 HB2 ASP A 81 -1.259 6.340 6.734 1.00 31.51 H new ATOM 0 HB3 ASP A 81 -1.768 4.964 5.776 1.00 31.51 H new ATOM 1265 N VAL A 82 -0.183 2.281 8.060 1.00 34.53 N ATOM 1266 CA VAL A 82 -0.286 0.815 8.048 1.00 4.32 C ATOM 1267 C VAL A 82 -1.748 0.393 8.279 1.00 51.11 C ATOM 1268 O VAL A 82 -2.313 0.629 9.354 1.00 74.44 O ATOM 1269 CB VAL A 82 0.647 0.143 9.123 1.00 52.34 C ATOM 1270 CG1 VAL A 82 0.486 -1.403 9.113 1.00 32.15 C ATOM 1271 CG2 VAL A 82 2.129 0.552 8.901 1.00 62.34 C ATOM 0 H VAL A 82 -0.003 2.674 8.984 1.00 34.53 H new ATOM 0 HA VAL A 82 0.048 0.470 7.069 1.00 4.32 H new ATOM 0 HB VAL A 82 0.343 0.502 10.106 1.00 52.34 H new ATOM 0 HG11 VAL A 82 1.142 -1.842 9.865 1.00 32.15 H new ATOM 0 HG12 VAL A 82 -0.549 -1.663 9.338 1.00 32.15 H new ATOM 0 HG13 VAL A 82 0.752 -1.790 8.129 1.00 32.15 H new ATOM 0 HG21 VAL A 82 2.755 0.076 9.656 1.00 62.34 H new ATOM 0 HG22 VAL A 82 2.450 0.233 7.909 1.00 62.34 H new ATOM 0 HG23 VAL A 82 2.224 1.635 8.982 1.00 62.34 H new ATOM 1281 N LEU A 83 -2.349 -0.190 7.241 1.00 10.13 N ATOM 1282 CA LEU A 83 -3.676 -0.812 7.297 1.00 42.33 C ATOM 1283 C LEU A 83 -3.506 -2.339 7.357 1.00 63.24 C ATOM 1284 O LEU A 83 -3.133 -2.967 6.368 1.00 50.54 O ATOM 1285 CB LEU A 83 -4.499 -0.399 6.050 1.00 45.44 C ATOM 1286 CG LEU A 83 -5.889 -1.097 5.863 1.00 23.15 C ATOM 1287 CD1 LEU A 83 -6.836 -0.836 7.057 1.00 62.31 C ATOM 1288 CD2 LEU A 83 -6.526 -0.678 4.524 1.00 23.13 C ATOM 0 H LEU A 83 -1.919 -0.245 6.318 1.00 10.13 H new ATOM 0 HA LEU A 83 -4.212 -0.477 8.185 1.00 42.33 H new ATOM 0 HB2 LEU A 83 -4.662 0.678 6.091 1.00 45.44 H new ATOM 0 HB3 LEU A 83 -3.897 -0.597 5.164 1.00 45.44 H new ATOM 0 HG LEU A 83 -5.721 -2.174 5.836 1.00 23.15 H new ATOM 0 HD11 LEU A 83 -7.787 -1.339 6.884 1.00 62.31 H new ATOM 0 HD12 LEU A 83 -6.384 -1.221 7.971 1.00 62.31 H new ATOM 0 HD13 LEU A 83 -7.006 0.236 7.159 1.00 62.31 H new ATOM 0 HD21 LEU A 83 -7.491 -1.172 4.410 1.00 23.13 H new ATOM 0 HD22 LEU A 83 -6.668 0.403 4.511 1.00 23.13 H new ATOM 0 HD23 LEU A 83 -5.871 -0.968 3.703 1.00 23.13 H new ATOM 1300 N LYS A 84 -3.738 -2.921 8.540 1.00 34.10 N ATOM 1301 CA LYS A 84 -3.682 -4.376 8.737 1.00 54.04 C ATOM 1302 C LYS A 84 -5.117 -4.923 8.686 1.00 23.00 C ATOM 1303 O LYS A 84 -5.857 -4.808 9.676 1.00 24.50 O ATOM 1304 CB LYS A 84 -3.027 -4.704 10.108 1.00 33.25 C ATOM 1305 CG LYS A 84 -2.636 -6.191 10.295 1.00 62.21 C ATOM 1306 CD LYS A 84 -1.351 -6.572 9.533 1.00 65.34 C ATOM 1307 CE LYS A 84 -0.115 -5.832 10.073 1.00 72.54 C ATOM 1308 NZ LYS A 84 0.067 -6.020 11.540 1.00 12.24 N ATOM 0 H LYS A 84 -3.969 -2.399 9.385 1.00 34.10 H new ATOM 0 HA LYS A 84 -3.080 -4.839 7.955 1.00 54.04 H new ATOM 0 HB2 LYS A 84 -2.135 -4.089 10.226 1.00 33.25 H new ATOM 0 HB3 LYS A 84 -3.717 -4.420 10.903 1.00 33.25 H new ATOM 0 HG2 LYS A 84 -2.497 -6.394 11.357 1.00 62.21 H new ATOM 0 HG3 LYS A 84 -3.456 -6.823 9.954 1.00 62.21 H new ATOM 0 HD2 LYS A 84 -1.191 -7.647 9.609 1.00 65.34 H new ATOM 0 HD3 LYS A 84 -1.476 -6.343 8.475 1.00 65.34 H new ATOM 0 HE2 LYS A 84 0.774 -6.187 9.551 1.00 72.54 H new ATOM 0 HE3 LYS A 84 -0.209 -4.768 9.855 1.00 72.54 H new ATOM 0 HZ1 LYS A 84 1.015 -5.695 11.817 1.00 12.24 H new ATOM 0 HZ2 LYS A 84 -0.651 -5.469 12.052 1.00 12.24 H new ATOM 0 HZ3 LYS A 84 -0.036 -7.028 11.776 1.00 12.24 H new ATOM 1322 N SER A 85 -5.509 -5.491 7.533 1.00 61.13 N ATOM 1323 CA SER A 85 -6.888 -5.983 7.306 1.00 73.13 C ATOM 1324 C SER A 85 -6.896 -6.977 6.135 1.00 73.31 C ATOM 1325 O SER A 85 -6.184 -6.779 5.159 1.00 61.21 O ATOM 1326 CB SER A 85 -7.857 -4.815 6.983 1.00 54.54 C ATOM 1327 OG SER A 85 -7.885 -3.837 8.000 1.00 62.22 O ATOM 0 H SER A 85 -4.888 -5.624 6.735 1.00 61.13 H new ATOM 0 HA SER A 85 -7.225 -6.472 8.220 1.00 73.13 H new ATOM 0 HB2 SER A 85 -7.558 -4.349 6.044 1.00 54.54 H new ATOM 0 HB3 SER A 85 -8.862 -5.211 6.837 1.00 54.54 H new ATOM 0 HG SER A 85 -8.815 -3.612 8.212 1.00 62.22 H new ATOM 1333 N THR A 86 -7.713 -8.038 6.249 1.00 4.44 N ATOM 1334 CA THR A 86 -7.909 -9.037 5.171 1.00 4.03 C ATOM 1335 C THR A 86 -9.356 -8.991 4.638 1.00 41.25 C ATOM 1336 O THR A 86 -9.749 -9.818 3.810 1.00 72.12 O ATOM 1337 CB THR A 86 -7.579 -10.469 5.705 1.00 42.52 C ATOM 1338 OG1 THR A 86 -8.380 -10.746 6.866 1.00 2.14 O ATOM 1339 CG2 THR A 86 -6.087 -10.615 6.067 1.00 0.10 C ATOM 0 H THR A 86 -8.258 -8.232 7.089 1.00 4.44 H new ATOM 0 HA THR A 86 -7.234 -8.796 4.350 1.00 4.03 H new ATOM 0 HB THR A 86 -7.805 -11.181 4.911 1.00 42.52 H new ATOM 0 HG1 THR A 86 -8.174 -11.644 7.199 1.00 2.14 H new ATOM 0 HG21 THR A 86 -5.899 -11.624 6.434 1.00 0.10 H new ATOM 0 HG22 THR A 86 -5.478 -10.431 5.182 1.00 0.10 H new ATOM 0 HG23 THR A 86 -5.828 -9.893 6.842 1.00 0.10 H new ATOM 1347 N ASP A 87 -10.135 -8.004 5.122 1.00 10.12 N ATOM 1348 CA ASP A 87 -11.557 -7.826 4.771 1.00 63.43 C ATOM 1349 C ASP A 87 -11.656 -7.035 3.457 1.00 2.32 C ATOM 1350 O ASP A 87 -11.323 -5.849 3.454 1.00 0.24 O ATOM 1351 CB ASP A 87 -12.289 -7.065 5.903 1.00 32.40 C ATOM 1352 CG ASP A 87 -12.247 -7.804 7.244 1.00 63.54 C ATOM 1353 OD1 ASP A 87 -11.195 -7.774 7.917 1.00 1.53 O ATOM 1354 OD2 ASP A 87 -13.264 -8.415 7.641 1.00 23.30 O ATOM 0 H ASP A 87 -9.790 -7.300 5.775 1.00 10.12 H new ATOM 0 HA ASP A 87 -12.027 -8.801 4.645 1.00 63.43 H new ATOM 0 HB2 ASP A 87 -11.837 -6.080 6.023 1.00 32.40 H new ATOM 0 HB3 ASP A 87 -13.328 -6.906 5.614 1.00 32.40 H new ATOM 1359 N PRO A 88 -12.115 -7.668 2.327 1.00 32.35 N ATOM 1360 CA PRO A 88 -12.094 -7.037 0.979 1.00 10.00 C ATOM 1361 C PRO A 88 -12.877 -5.706 0.903 1.00 1.45 C ATOM 1362 O PRO A 88 -12.346 -4.693 0.414 1.00 12.42 O ATOM 1363 CB PRO A 88 -12.708 -8.129 0.053 1.00 24.04 C ATOM 1364 CG PRO A 88 -13.458 -9.044 0.979 1.00 53.44 C ATOM 1365 CD PRO A 88 -12.675 -9.046 2.269 1.00 55.33 C ATOM 0 HA PRO A 88 -11.084 -6.746 0.690 1.00 10.00 H new ATOM 0 HB2 PRO A 88 -13.372 -7.689 -0.691 1.00 24.04 H new ATOM 0 HB3 PRO A 88 -11.932 -8.667 -0.491 1.00 24.04 H new ATOM 0 HG2 PRO A 88 -14.477 -8.691 1.139 1.00 53.44 H new ATOM 0 HG3 PRO A 88 -13.531 -10.049 0.563 1.00 53.44 H new ATOM 0 HD2 PRO A 88 -13.313 -9.258 3.127 1.00 55.33 H new ATOM 0 HD3 PRO A 88 -11.889 -9.801 2.262 1.00 55.33 H new ATOM 1373 N GLU A 89 -14.127 -5.718 1.409 1.00 34.15 N ATOM 1374 CA GLU A 89 -15.021 -4.539 1.389 1.00 14.31 C ATOM 1375 C GLU A 89 -14.446 -3.386 2.241 1.00 0.14 C ATOM 1376 O GLU A 89 -14.591 -2.206 1.888 1.00 2.51 O ATOM 1377 CB GLU A 89 -16.442 -4.934 1.880 1.00 3.24 C ATOM 1378 CG GLU A 89 -16.500 -5.438 3.336 1.00 13.22 C ATOM 1379 CD GLU A 89 -17.917 -5.815 3.803 1.00 41.25 C ATOM 1380 OE1 GLU A 89 -18.359 -6.947 3.523 1.00 31.04 O ATOM 1381 OE2 GLU A 89 -18.592 -4.980 4.446 1.00 13.34 O ATOM 0 H GLU A 89 -14.545 -6.541 1.842 1.00 34.15 H new ATOM 0 HA GLU A 89 -15.094 -4.184 0.361 1.00 14.31 H new ATOM 0 HB2 GLU A 89 -17.099 -4.070 1.782 1.00 3.24 H new ATOM 0 HB3 GLU A 89 -16.836 -5.711 1.224 1.00 3.24 H new ATOM 0 HG2 GLU A 89 -15.850 -6.307 3.437 1.00 13.22 H new ATOM 0 HG3 GLU A 89 -16.103 -4.666 3.995 1.00 13.22 H new ATOM 1388 N GLU A 90 -13.766 -3.754 3.352 1.00 32.30 N ATOM 1389 CA GLU A 90 -13.159 -2.784 4.266 1.00 31.51 C ATOM 1390 C GLU A 90 -11.937 -2.147 3.597 1.00 23.32 C ATOM 1391 O GLU A 90 -11.789 -0.939 3.624 1.00 72.03 O ATOM 1392 CB GLU A 90 -12.779 -3.432 5.617 1.00 23.25 C ATOM 1393 CG GLU A 90 -12.265 -2.430 6.674 1.00 45.51 C ATOM 1394 CD GLU A 90 -11.942 -3.088 8.024 1.00 65.53 C ATOM 1395 OE1 GLU A 90 -10.814 -3.588 8.195 1.00 43.02 O ATOM 1396 OE2 GLU A 90 -12.812 -3.106 8.919 1.00 25.45 O ATOM 0 H GLU A 90 -13.629 -4.726 3.630 1.00 32.30 H new ATOM 0 HA GLU A 90 -13.893 -2.008 4.484 1.00 31.51 H new ATOM 0 HB2 GLU A 90 -13.650 -3.951 6.017 1.00 23.25 H new ATOM 0 HB3 GLU A 90 -12.011 -4.186 5.443 1.00 23.25 H new ATOM 0 HG2 GLU A 90 -11.370 -1.938 6.294 1.00 45.51 H new ATOM 0 HG3 GLU A 90 -13.016 -1.654 6.825 1.00 45.51 H new ATOM 1403 N LEU A 91 -11.101 -2.975 2.937 1.00 1.25 N ATOM 1404 CA LEU A 91 -9.908 -2.494 2.211 1.00 13.42 C ATOM 1405 C LEU A 91 -10.309 -1.452 1.149 1.00 22.33 C ATOM 1406 O LEU A 91 -9.676 -0.406 1.035 1.00 61.52 O ATOM 1407 CB LEU A 91 -9.140 -3.676 1.551 1.00 73.52 C ATOM 1408 CG LEU A 91 -8.494 -4.712 2.520 1.00 3.34 C ATOM 1409 CD1 LEU A 91 -7.747 -5.818 1.746 1.00 61.24 C ATOM 1410 CD2 LEU A 91 -7.571 -4.017 3.535 1.00 41.40 C ATOM 0 H LEU A 91 -11.232 -3.986 2.892 1.00 1.25 H new ATOM 0 HA LEU A 91 -9.242 -2.020 2.932 1.00 13.42 H new ATOM 0 HB2 LEU A 91 -9.829 -4.207 0.894 1.00 73.52 H new ATOM 0 HB3 LEU A 91 -8.353 -3.262 0.920 1.00 73.52 H new ATOM 0 HG LEU A 91 -9.299 -5.192 3.077 1.00 3.34 H new ATOM 0 HD11 LEU A 91 -7.309 -6.523 2.452 1.00 61.24 H new ATOM 0 HD12 LEU A 91 -8.447 -6.343 1.096 1.00 61.24 H new ATOM 0 HD13 LEU A 91 -6.957 -5.370 1.143 1.00 61.24 H new ATOM 0 HD21 LEU A 91 -7.133 -4.763 4.199 1.00 41.40 H new ATOM 0 HD22 LEU A 91 -6.776 -3.492 3.004 1.00 41.40 H new ATOM 0 HD23 LEU A 91 -8.148 -3.303 4.122 1.00 41.40 H new ATOM 1422 N THR A 92 -11.419 -1.742 0.438 1.00 1.21 N ATOM 1423 CA THR A 92 -11.947 -0.887 -0.634 1.00 20.11 C ATOM 1424 C THR A 92 -12.415 0.486 -0.085 1.00 4.35 C ATOM 1425 O THR A 92 -12.092 1.538 -0.668 1.00 4.41 O ATOM 1426 CB THR A 92 -13.114 -1.610 -1.385 1.00 75.01 C ATOM 1427 OG1 THR A 92 -12.630 -2.860 -1.907 1.00 55.14 O ATOM 1428 CG2 THR A 92 -13.695 -0.771 -2.546 1.00 12.53 C ATOM 0 H THR A 92 -11.974 -2.583 0.597 1.00 1.21 H new ATOM 0 HA THR A 92 -11.140 -0.701 -1.342 1.00 20.11 H new ATOM 0 HB THR A 92 -13.917 -1.764 -0.664 1.00 75.01 H new ATOM 0 HG1 THR A 92 -12.519 -3.500 -1.173 1.00 55.14 H new ATOM 0 HG21 THR A 92 -14.500 -1.325 -3.028 1.00 12.53 H new ATOM 0 HG22 THR A 92 -14.084 0.169 -2.156 1.00 12.53 H new ATOM 0 HG23 THR A 92 -12.910 -0.565 -3.274 1.00 12.53 H new ATOM 1436 N GLN A 93 -13.156 0.470 1.054 1.00 33.01 N ATOM 1437 CA GLN A 93 -13.647 1.710 1.687 1.00 5.53 C ATOM 1438 C GLN A 93 -12.489 2.503 2.319 1.00 54.21 C ATOM 1439 O GLN A 93 -12.568 3.721 2.425 1.00 53.52 O ATOM 1440 CB GLN A 93 -14.762 1.445 2.742 1.00 22.33 C ATOM 1441 CG GLN A 93 -14.292 0.784 4.051 1.00 62.44 C ATOM 1442 CD GLN A 93 -15.392 0.533 5.089 1.00 73.15 C ATOM 1443 OE1 GLN A 93 -15.333 -0.444 5.841 1.00 44.41 O ATOM 1444 NE2 GLN A 93 -16.372 1.426 5.188 1.00 72.13 N ATOM 0 H GLN A 93 -13.422 -0.384 1.545 1.00 33.01 H new ATOM 0 HA GLN A 93 -14.093 2.307 0.891 1.00 5.53 H new ATOM 0 HB2 GLN A 93 -15.240 2.394 2.986 1.00 22.33 H new ATOM 0 HB3 GLN A 93 -15.524 0.811 2.288 1.00 22.33 H new ATOM 0 HG2 GLN A 93 -13.819 -0.168 3.809 1.00 62.44 H new ATOM 0 HG3 GLN A 93 -13.526 1.414 4.503 1.00 62.44 H new ATOM 0 HE21 GLN A 93 -16.399 2.225 4.555 1.00 72.13 H new ATOM 0 HE22 GLN A 93 -17.096 1.312 5.897 1.00 72.13 H new ATOM 1453 N ARG A 94 -11.409 1.800 2.728 1.00 11.32 N ATOM 1454 CA ARG A 94 -10.220 2.448 3.313 1.00 64.35 C ATOM 1455 C ARG A 94 -9.360 3.111 2.226 1.00 11.13 C ATOM 1456 O ARG A 94 -8.610 4.032 2.533 1.00 21.01 O ATOM 1457 CB ARG A 94 -9.363 1.453 4.136 1.00 40.15 C ATOM 1458 CG ARG A 94 -10.063 0.840 5.376 1.00 43.31 C ATOM 1459 CD ARG A 94 -10.582 1.887 6.376 1.00 60.40 C ATOM 1460 NE ARG A 94 -11.194 1.254 7.564 1.00 33.01 N ATOM 1461 CZ ARG A 94 -10.814 1.459 8.838 1.00 13.32 C ATOM 1462 NH1 ARG A 94 -9.821 2.289 9.130 1.00 4.54 N ATOM 1463 NH2 ARG A 94 -11.452 0.830 9.811 1.00 31.31 N ATOM 0 H ARG A 94 -11.339 0.784 2.663 1.00 11.32 H new ATOM 0 HA ARG A 94 -10.584 3.219 3.993 1.00 64.35 H new ATOM 0 HB2 ARG A 94 -9.048 0.642 3.480 1.00 40.15 H new ATOM 0 HB3 ARG A 94 -8.459 1.965 4.466 1.00 40.15 H new ATOM 0 HG2 ARG A 94 -10.898 0.224 5.043 1.00 43.31 H new ATOM 0 HG3 ARG A 94 -9.363 0.179 5.887 1.00 43.31 H new ATOM 0 HD2 ARG A 94 -9.759 2.530 6.690 1.00 60.40 H new ATOM 0 HD3 ARG A 94 -11.316 2.526 5.885 1.00 60.40 H new ATOM 0 HE ARG A 94 -11.968 0.609 7.404 1.00 33.01 H new ATOM 0 HH11 ARG A 94 -9.333 2.783 8.383 1.00 4.54 H new ATOM 0 HH12 ARG A 94 -9.546 2.433 10.102 1.00 4.54 H new ATOM 0 HH21 ARG A 94 -12.222 0.198 9.591 1.00 31.31 H new ATOM 0 HH22 ARG A 94 -11.174 0.977 10.781 1.00 31.31 H new ATOM 1477 N VAL A 95 -9.454 2.626 0.965 1.00 43.42 N ATOM 1478 CA VAL A 95 -8.772 3.265 -0.179 1.00 21.30 C ATOM 1479 C VAL A 95 -9.424 4.637 -0.476 1.00 75.44 C ATOM 1480 O VAL A 95 -8.723 5.640 -0.543 1.00 52.11 O ATOM 1481 CB VAL A 95 -8.763 2.365 -1.482 1.00 42.25 C ATOM 1482 CG1 VAL A 95 -8.124 3.110 -2.688 1.00 52.35 C ATOM 1483 CG2 VAL A 95 -8.028 1.025 -1.235 1.00 21.23 C ATOM 0 H VAL A 95 -9.994 1.797 0.718 1.00 43.42 H new ATOM 0 HA VAL A 95 -7.729 3.401 0.107 1.00 21.30 H new ATOM 0 HB VAL A 95 -9.803 2.150 -1.726 1.00 42.25 H new ATOM 0 HG11 VAL A 95 -8.135 2.461 -3.564 1.00 52.35 H new ATOM 0 HG12 VAL A 95 -8.693 4.015 -2.899 1.00 52.35 H new ATOM 0 HG13 VAL A 95 -7.095 3.376 -2.447 1.00 52.35 H new ATOM 0 HG21 VAL A 95 -8.039 0.430 -2.148 1.00 21.23 H new ATOM 0 HG22 VAL A 95 -6.997 1.224 -0.944 1.00 21.23 H new ATOM 0 HG23 VAL A 95 -8.530 0.476 -0.438 1.00 21.23 H new ATOM 1493 N ARG A 96 -10.773 4.673 -0.603 1.00 21.50 N ATOM 1494 CA ARG A 96 -11.508 5.936 -0.899 1.00 54.43 C ATOM 1495 C ARG A 96 -11.421 6.925 0.275 1.00 23.21 C ATOM 1496 O ARG A 96 -11.316 8.135 0.054 1.00 30.14 O ATOM 1497 CB ARG A 96 -12.987 5.667 -1.277 1.00 32.21 C ATOM 1498 CG ARG A 96 -13.800 4.887 -0.226 1.00 41.23 C ATOM 1499 CD ARG A 96 -15.200 4.480 -0.711 1.00 55.10 C ATOM 1500 NE ARG A 96 -15.138 3.606 -1.895 1.00 4.34 N ATOM 1501 CZ ARG A 96 -15.997 2.622 -2.181 1.00 61.30 C ATOM 1502 NH1 ARG A 96 -17.023 2.354 -1.390 1.00 23.20 N ATOM 1503 NH2 ARG A 96 -15.805 1.891 -3.258 1.00 23.51 N ATOM 0 H ARG A 96 -11.373 3.853 -0.507 1.00 21.50 H new ATOM 0 HA ARG A 96 -11.022 6.390 -1.762 1.00 54.43 H new ATOM 0 HB2 ARG A 96 -13.479 6.623 -1.458 1.00 32.21 H new ATOM 0 HB3 ARG A 96 -13.011 5.114 -2.216 1.00 32.21 H new ATOM 0 HG2 ARG A 96 -13.248 3.991 0.057 1.00 41.23 H new ATOM 0 HG3 ARG A 96 -13.899 5.497 0.672 1.00 41.23 H new ATOM 0 HD2 ARG A 96 -15.727 3.966 0.093 1.00 55.10 H new ATOM 0 HD3 ARG A 96 -15.776 5.374 -0.949 1.00 55.10 H new ATOM 0 HE ARG A 96 -14.375 3.765 -2.553 1.00 4.34 H new ATOM 0 HH11 ARG A 96 -17.171 2.903 -0.543 1.00 23.20 H new ATOM 0 HH12 ARG A 96 -17.666 1.599 -1.627 1.00 23.20 H new ATOM 0 HH21 ARG A 96 -15.007 2.077 -3.865 1.00 23.51 H new ATOM 0 HH22 ARG A 96 -16.454 1.138 -3.486 1.00 23.51 H new ATOM 1517 N GLU A 97 -11.449 6.390 1.517 1.00 40.33 N ATOM 1518 CA GLU A 97 -11.226 7.182 2.738 1.00 52.31 C ATOM 1519 C GLU A 97 -9.840 7.818 2.710 1.00 15.35 C ATOM 1520 O GLU A 97 -9.704 9.008 2.983 1.00 14.22 O ATOM 1521 CB GLU A 97 -11.387 6.307 4.015 1.00 74.22 C ATOM 1522 CG GLU A 97 -12.840 6.120 4.481 1.00 42.22 C ATOM 1523 CD GLU A 97 -13.511 7.444 4.894 1.00 3.33 C ATOM 1524 OE1 GLU A 97 -13.012 8.105 5.832 1.00 2.15 O ATOM 1525 OE2 GLU A 97 -14.527 7.839 4.280 1.00 5.52 O ATOM 0 H GLU A 97 -11.626 5.402 1.696 1.00 40.33 H new ATOM 0 HA GLU A 97 -11.979 7.969 2.769 1.00 52.31 H new ATOM 0 HB2 GLU A 97 -10.951 5.326 3.825 1.00 74.22 H new ATOM 0 HB3 GLU A 97 -10.815 6.760 4.825 1.00 74.22 H new ATOM 0 HG2 GLU A 97 -13.417 5.660 3.679 1.00 42.22 H new ATOM 0 HG3 GLU A 97 -12.860 5.430 5.324 1.00 42.22 H new ATOM 1532 N PHE A 98 -8.835 7.005 2.347 1.00 2.30 N ATOM 1533 CA PHE A 98 -7.437 7.439 2.276 1.00 23.32 C ATOM 1534 C PHE A 98 -7.260 8.588 1.262 1.00 41.04 C ATOM 1535 O PHE A 98 -6.727 9.632 1.615 1.00 21.24 O ATOM 1536 CB PHE A 98 -6.520 6.243 1.912 1.00 54.14 C ATOM 1537 CG PHE A 98 -5.069 6.643 1.716 1.00 11.45 C ATOM 1538 CD1 PHE A 98 -4.274 6.967 2.811 1.00 3.02 C ATOM 1539 CD2 PHE A 98 -4.515 6.742 0.440 1.00 33.34 C ATOM 1540 CE1 PHE A 98 -2.974 7.372 2.637 1.00 3.54 C ATOM 1541 CE2 PHE A 98 -3.217 7.140 0.273 1.00 24.25 C ATOM 1542 CZ PHE A 98 -2.452 7.462 1.367 1.00 61.42 C ATOM 0 H PHE A 98 -8.973 6.026 2.095 1.00 2.30 H new ATOM 0 HA PHE A 98 -7.149 7.815 3.258 1.00 23.32 H new ATOM 0 HB2 PHE A 98 -6.581 5.493 2.701 1.00 54.14 H new ATOM 0 HB3 PHE A 98 -6.888 5.775 0.999 1.00 54.14 H new ATOM 0 HD1 PHE A 98 -4.684 6.899 3.808 1.00 3.02 H new ATOM 0 HD2 PHE A 98 -5.116 6.502 -0.424 1.00 33.34 H new ATOM 0 HE1 PHE A 98 -2.364 7.619 3.493 1.00 3.54 H new ATOM 0 HE2 PHE A 98 -2.794 7.201 -0.719 1.00 24.25 H new ATOM 0 HZ PHE A 98 -1.432 7.789 1.229 1.00 61.42 H new ATOM 1552 N LEU A 99 -7.732 8.370 0.016 1.00 41.25 N ATOM 1553 CA LEU A 99 -7.586 9.338 -1.099 1.00 12.41 C ATOM 1554 C LEU A 99 -8.267 10.682 -0.757 1.00 14.55 C ATOM 1555 O LEU A 99 -7.754 11.759 -1.083 1.00 73.24 O ATOM 1556 CB LEU A 99 -8.195 8.741 -2.405 1.00 51.13 C ATOM 1557 CG LEU A 99 -7.570 7.394 -2.912 1.00 43.11 C ATOM 1558 CD1 LEU A 99 -8.356 6.825 -4.115 1.00 60.53 C ATOM 1559 CD2 LEU A 99 -6.067 7.549 -3.243 1.00 55.14 C ATOM 0 H LEU A 99 -8.226 7.518 -0.248 1.00 41.25 H new ATOM 0 HA LEU A 99 -6.524 9.527 -1.254 1.00 12.41 H new ATOM 0 HB2 LEU A 99 -9.262 8.584 -2.244 1.00 51.13 H new ATOM 0 HB3 LEU A 99 -8.098 9.483 -3.198 1.00 51.13 H new ATOM 0 HG LEU A 99 -7.649 6.675 -2.097 1.00 43.11 H new ATOM 0 HD11 LEU A 99 -7.897 5.892 -4.441 1.00 60.53 H new ATOM 0 HD12 LEU A 99 -9.388 6.637 -3.819 1.00 60.53 H new ATOM 0 HD13 LEU A 99 -8.338 7.544 -4.934 1.00 60.53 H new ATOM 0 HD21 LEU A 99 -5.671 6.595 -3.591 1.00 55.14 H new ATOM 0 HD22 LEU A 99 -5.942 8.300 -4.023 1.00 55.14 H new ATOM 0 HD23 LEU A 99 -5.528 7.862 -2.349 1.00 55.14 H new ATOM 1571 N LYS A 100 -9.416 10.580 -0.064 1.00 63.02 N ATOM 1572 CA LYS A 100 -10.247 11.730 0.331 1.00 61.31 C ATOM 1573 C LYS A 100 -9.596 12.539 1.481 1.00 1.54 C ATOM 1574 O LYS A 100 -9.620 13.775 1.462 1.00 72.21 O ATOM 1575 CB LYS A 100 -11.662 11.207 0.704 1.00 60.13 C ATOM 1576 CG LYS A 100 -12.700 12.275 1.133 1.00 23.35 C ATOM 1577 CD LYS A 100 -14.163 11.752 1.070 1.00 25.15 C ATOM 1578 CE LYS A 100 -14.404 10.473 1.903 1.00 21.03 C ATOM 1579 NZ LYS A 100 -14.270 10.700 3.363 1.00 0.12 N ATOM 0 H LYS A 100 -9.797 9.684 0.241 1.00 63.02 H new ATOM 0 HA LYS A 100 -10.333 12.426 -0.504 1.00 61.31 H new ATOM 0 HB2 LYS A 100 -12.063 10.666 -0.153 1.00 60.13 H new ATOM 0 HB3 LYS A 100 -11.557 10.487 1.516 1.00 60.13 H new ATOM 0 HG2 LYS A 100 -12.479 12.602 2.149 1.00 23.35 H new ATOM 0 HG3 LYS A 100 -12.603 13.149 0.489 1.00 23.35 H new ATOM 0 HD2 LYS A 100 -14.835 12.535 1.422 1.00 25.15 H new ATOM 0 HD3 LYS A 100 -14.423 11.552 0.031 1.00 25.15 H new ATOM 0 HE2 LYS A 100 -15.402 10.090 1.690 1.00 21.03 H new ATOM 0 HE3 LYS A 100 -13.695 9.705 1.593 1.00 21.03 H new ATOM 0 HZ1 LYS A 100 -14.307 9.788 3.861 1.00 0.12 H new ATOM 0 HZ2 LYS A 100 -13.361 11.165 3.560 1.00 0.12 H new ATOM 0 HZ3 LYS A 100 -15.048 11.306 3.693 1.00 0.12 H new ATOM 1593 N THR A 101 -8.999 11.836 2.473 1.00 23.02 N ATOM 1594 CA THR A 101 -8.348 12.490 3.642 1.00 1.33 C ATOM 1595 C THR A 101 -6.893 12.916 3.331 1.00 74.42 C ATOM 1596 O THR A 101 -6.310 13.723 4.065 1.00 63.43 O ATOM 1597 CB THR A 101 -8.390 11.589 4.928 1.00 10.14 C ATOM 1598 OG1 THR A 101 -7.987 12.344 6.093 1.00 72.53 O ATOM 1599 CG2 THR A 101 -7.511 10.328 4.810 1.00 33.04 C ATOM 0 H THR A 101 -8.953 10.817 2.490 1.00 23.02 H new ATOM 0 HA THR A 101 -8.929 13.389 3.846 1.00 1.33 H new ATOM 0 HB THR A 101 -9.424 11.261 5.033 1.00 10.14 H new ATOM 0 HG1 THR A 101 -7.352 13.042 5.827 1.00 72.53 H new ATOM 0 HG21 THR A 101 -7.582 9.747 5.730 1.00 33.04 H new ATOM 0 HG22 THR A 101 -7.854 9.723 3.971 1.00 33.04 H new ATOM 0 HG23 THR A 101 -6.474 10.621 4.646 1.00 33.04 H new ATOM 1607 N ALA A 102 -6.303 12.337 2.266 1.00 50.32 N ATOM 1608 CA ALA A 102 -4.928 12.666 1.829 1.00 70.13 C ATOM 1609 C ALA A 102 -4.922 14.000 1.070 1.00 33.51 C ATOM 1610 O ALA A 102 -4.011 14.820 1.241 1.00 35.23 O ATOM 1611 CB ALA A 102 -4.348 11.543 0.957 1.00 14.45 C ATOM 0 H ALA A 102 -6.761 11.633 1.687 1.00 50.32 H new ATOM 0 HA ALA A 102 -4.297 12.763 2.713 1.00 70.13 H new ATOM 0 HB1 ALA A 102 -3.337 11.808 0.648 1.00 14.45 H new ATOM 0 HB2 ALA A 102 -4.322 10.615 1.529 1.00 14.45 H new ATOM 0 HB3 ALA A 102 -4.973 11.408 0.075 1.00 14.45 H new