USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1152 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 24 LYS NZ :NH3+ -136:sc= -0.112 (180deg=-0.787!) USER MOD Set 1.2: A 25 ASN : amide:sc= 0.76 K(o=0.65,f=-0.64) USER MOD Single : A 1 MET CE :methyl -173:sc= -0.129 (180deg=-0.188) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.919 (180deg=-0.598) USER MOD Single : A 2 ASN : amide:sc= 0.0151 K(o=0.015,f=-3.4!) USER MOD Single : A 9 SER OG : rot 118:sc= 0.746 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -110:sc= 0.0156 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= 1.32 (180deg=0.905) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0.86 (180deg=0.597) USER MOD Single : A 28 LYS NZ :NH3+ -147:sc= -2.18! (180deg=-4.44!) USER MOD Single : A 31 THR OG1 : rot 24:sc= 0.731 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 39 LYS NZ :NH3+ -142:sc= 0.834 (180deg=-0.1) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= 1.09 (180deg=-0.591) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.164 K(o=0.16,f=-3.1!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.656 USER MOD Single : A 61 LYS NZ :NH3+ -138:sc= 1.3 (180deg=0.879) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0.286 K(o=0.29,f=-7.5!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.566 K(o=-0.57,f=-1.9!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0329 USER MOD Single : A 106 THR OG1 : rot 25:sc= 0.0169 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 167:sc= 1.26 (180deg=0.871) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot -73:sc= 0.171 USER MOD Single : A 126 SER OG : rot -177:sc= -0.182 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-3.5!) USER MOD Single : A 131 HIS : no HE2:sc= -0.408 K(o=-0.41,f=-2.6!) USER MOD Single : A 132 HIS : no HE2:sc= -0.476 K(o=-0.48,f=-2.3) USER MOD Single : A 133 HIS : no HD1:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.572 10.064 10.345 1.00 70.24 N ATOM 2 CA MET A 1 2.178 8.655 10.643 1.00 23.03 C ATOM 3 C MET A 1 2.518 7.720 9.466 1.00 11.23 C ATOM 4 O MET A 1 2.712 8.177 8.343 1.00 31.22 O ATOM 5 CB MET A 1 0.676 8.590 10.972 1.00 64.14 C ATOM 6 CG MET A 1 0.177 7.194 11.328 1.00 13.42 C ATOM 7 SD MET A 1 1.216 6.392 12.567 1.00 4.43 S ATOM 8 CE MET A 1 0.331 4.854 12.818 1.00 24.02 C ATOM 0 H1 MET A 1 3.009 10.488 11.188 1.00 70.24 H new ATOM 0 H2 MET A 1 3.253 10.075 9.559 1.00 70.24 H new ATOM 0 H3 MET A 1 1.729 10.612 10.080 1.00 70.24 H new ATOM 0 HA MET A 1 2.746 8.314 11.509 1.00 23.03 H new ATOM 0 HB2 MET A 1 0.468 9.262 11.805 1.00 64.14 H new ATOM 0 HB3 MET A 1 0.111 8.959 10.116 1.00 64.14 H new ATOM 0 HG2 MET A 1 -0.845 7.260 11.701 1.00 13.42 H new ATOM 0 HG3 MET A 1 0.149 6.580 10.428 1.00 13.42 H new ATOM 0 HE1 MET A 1 0.782 4.306 13.645 1.00 24.02 H new ATOM 0 HE2 MET A 1 -0.712 5.068 13.050 1.00 24.02 H new ATOM 0 HE3 MET A 1 0.385 4.251 11.911 1.00 24.02 H new ATOM 20 N ASN A 2 2.592 6.413 9.738 1.00 12.20 N ATOM 21 CA ASN A 2 2.970 5.409 8.726 1.00 12.23 C ATOM 22 C ASN A 2 1.917 5.267 7.600 1.00 31.11 C ATOM 23 O ASN A 2 0.748 5.624 7.770 1.00 70.33 O ATOM 24 CB ASN A 2 3.191 4.050 9.411 1.00 3.32 C ATOM 25 CG ASN A 2 3.715 2.986 8.461 1.00 34.02 C ATOM 26 OD1 ASN A 2 4.435 3.282 7.517 1.00 24.23 O ATOM 27 ND2 ASN A 2 3.352 1.742 8.699 1.00 2.12 N ATOM 0 H ASN A 2 2.394 6.019 10.658 1.00 12.20 H new ATOM 0 HA ASN A 2 3.892 5.752 8.256 1.00 12.23 H new ATOM 0 HB2 ASN A 2 3.895 4.174 10.234 1.00 3.32 H new ATOM 0 HB3 ASN A 2 2.251 3.711 9.845 1.00 3.32 H new ATOM 0 HD21 ASN A 2 3.672 0.991 8.087 1.00 2.12 H new ATOM 0 HD22 ASN A 2 2.751 1.530 9.495 1.00 2.12 H new ATOM 34 N ILE A 3 2.353 4.725 6.457 1.00 14.11 N ATOM 35 CA ILE A 3 1.486 4.531 5.286 1.00 53.05 C ATOM 36 C ILE A 3 1.812 3.212 4.547 1.00 14.05 C ATOM 37 O ILE A 3 2.975 2.825 4.421 1.00 60.12 O ATOM 38 CB ILE A 3 1.615 5.733 4.309 1.00 34.53 C ATOM 39 CG1 ILE A 3 0.715 5.543 3.075 1.00 72.40 C ATOM 40 CG2 ILE A 3 3.072 5.941 3.892 1.00 15.55 C ATOM 41 CD1 ILE A 3 0.704 6.733 2.133 1.00 44.42 C ATOM 0 H ILE A 3 3.313 4.409 6.317 1.00 14.11 H new ATOM 0 HA ILE A 3 0.459 4.470 5.646 1.00 53.05 H new ATOM 0 HB ILE A 3 1.280 6.628 4.833 1.00 34.53 H new ATOM 0 HG12 ILE A 3 1.048 4.661 2.527 1.00 72.40 H new ATOM 0 HG13 ILE A 3 -0.304 5.346 3.408 1.00 72.40 H new ATOM 0 HG21 ILE A 3 3.138 6.787 3.208 1.00 15.55 H new ATOM 0 HG22 ILE A 3 3.678 6.140 4.776 1.00 15.55 H new ATOM 0 HG23 ILE A 3 3.440 5.044 3.395 1.00 15.55 H new ATOM 0 HD11 ILE A 3 0.048 6.523 1.289 1.00 44.42 H new ATOM 0 HD12 ILE A 3 0.342 7.614 2.664 1.00 44.42 H new ATOM 0 HD13 ILE A 3 1.715 6.919 1.769 1.00 44.42 H new ATOM 53 N VAL A 4 0.773 2.522 4.069 1.00 24.42 N ATOM 54 CA VAL A 4 0.933 1.245 3.354 1.00 15.42 C ATOM 55 C VAL A 4 0.435 1.355 1.901 1.00 13.21 C ATOM 56 O VAL A 4 -0.530 2.066 1.618 1.00 71.33 O ATOM 57 CB VAL A 4 0.161 0.105 4.073 1.00 42.44 C ATOM 58 CG1 VAL A 4 0.356 -1.231 3.356 1.00 72.11 C ATOM 59 CG2 VAL A 4 0.585 0.004 5.541 1.00 13.42 C ATOM 0 H VAL A 4 -0.196 2.826 4.163 1.00 24.42 H new ATOM 0 HA VAL A 4 1.997 1.010 3.348 1.00 15.42 H new ATOM 0 HB VAL A 4 -0.901 0.348 4.042 1.00 42.44 H new ATOM 0 HG11 VAL A 4 -0.196 -2.010 3.882 1.00 72.11 H new ATOM 0 HG12 VAL A 4 -0.013 -1.152 2.333 1.00 72.11 H new ATOM 0 HG13 VAL A 4 1.416 -1.485 3.341 1.00 72.11 H new ATOM 0 HG21 VAL A 4 0.032 -0.801 6.025 1.00 13.42 H new ATOM 0 HG22 VAL A 4 1.653 -0.205 5.598 1.00 13.42 H new ATOM 0 HG23 VAL A 4 0.372 0.946 6.047 1.00 13.42 H new ATOM 69 N ILE A 5 1.097 0.655 0.979 1.00 13.20 N ATOM 70 CA ILE A 5 0.704 0.674 -0.439 1.00 4.33 C ATOM 71 C ILE A 5 0.475 -0.748 -0.987 1.00 43.32 C ATOM 72 O ILE A 5 1.371 -1.588 -0.949 1.00 74.14 O ATOM 73 CB ILE A 5 1.776 1.390 -1.305 1.00 31.13 C ATOM 74 CG1 ILE A 5 2.021 2.818 -0.783 1.00 21.53 C ATOM 75 CG2 ILE A 5 1.354 1.418 -2.777 1.00 35.14 C ATOM 76 CD1 ILE A 5 3.106 3.565 -1.528 1.00 3.04 C ATOM 0 H ILE A 5 1.906 0.068 1.183 1.00 13.20 H new ATOM 0 HA ILE A 5 -0.235 1.225 -0.497 1.00 4.33 H new ATOM 0 HB ILE A 5 2.708 0.830 -1.230 1.00 31.13 H new ATOM 0 HG12 ILE A 5 1.092 3.384 -0.851 1.00 21.53 H new ATOM 0 HG13 ILE A 5 2.287 2.768 0.273 1.00 21.53 H new ATOM 0 HG21 ILE A 5 2.119 1.924 -3.365 1.00 35.14 H new ATOM 0 HG22 ILE A 5 1.233 0.397 -3.140 1.00 35.14 H new ATOM 0 HG23 ILE A 5 0.409 1.952 -2.874 1.00 35.14 H new ATOM 0 HD11 ILE A 5 3.219 4.562 -1.102 1.00 3.04 H new ATOM 0 HD12 ILE A 5 4.048 3.023 -1.439 1.00 3.04 H new ATOM 0 HD13 ILE A 5 2.834 3.649 -2.580 1.00 3.04 H new ATOM 88 N VAL A 6 -0.730 -1.012 -1.493 1.00 10.44 N ATOM 89 CA VAL A 6 -1.065 -2.316 -2.084 1.00 13.44 C ATOM 90 C VAL A 6 -1.144 -2.226 -3.620 1.00 63.43 C ATOM 91 O VAL A 6 -1.986 -1.515 -4.171 1.00 53.44 O ATOM 92 CB VAL A 6 -2.412 -2.857 -1.535 1.00 41.33 C ATOM 93 CG1 VAL A 6 -2.738 -4.227 -2.131 1.00 51.22 C ATOM 94 CG2 VAL A 6 -2.387 -2.924 -0.008 1.00 33.53 C ATOM 0 H VAL A 6 -1.496 -0.339 -1.507 1.00 10.44 H new ATOM 0 HA VAL A 6 -0.267 -3.005 -1.806 1.00 13.44 H new ATOM 0 HB VAL A 6 -3.199 -2.164 -1.834 1.00 41.33 H new ATOM 0 HG11 VAL A 6 -3.687 -4.582 -1.729 1.00 51.22 H new ATOM 0 HG12 VAL A 6 -2.812 -4.144 -3.215 1.00 51.22 H new ATOM 0 HG13 VAL A 6 -1.948 -4.933 -1.874 1.00 51.22 H new ATOM 0 HG21 VAL A 6 -3.341 -3.306 0.355 1.00 33.53 H new ATOM 0 HG22 VAL A 6 -1.584 -3.587 0.314 1.00 33.53 H new ATOM 0 HG23 VAL A 6 -2.218 -1.926 0.397 1.00 33.53 H new ATOM 104 N VAL A 7 -0.270 -2.955 -4.310 1.00 10.41 N ATOM 105 CA VAL A 7 -0.201 -2.905 -5.775 1.00 20.55 C ATOM 106 C VAL A 7 -0.636 -4.236 -6.413 1.00 51.04 C ATOM 107 O VAL A 7 0.011 -5.265 -6.222 1.00 41.11 O ATOM 108 CB VAL A 7 1.236 -2.560 -6.245 1.00 61.41 C ATOM 109 CG1 VAL A 7 1.311 -2.477 -7.768 1.00 73.24 C ATOM 110 CG2 VAL A 7 1.714 -1.256 -5.607 1.00 14.32 C ATOM 0 H VAL A 7 0.403 -3.590 -3.880 1.00 10.41 H new ATOM 0 HA VAL A 7 -0.890 -2.125 -6.099 1.00 20.55 H new ATOM 0 HB VAL A 7 1.898 -3.363 -5.921 1.00 61.41 H new ATOM 0 HG11 VAL A 7 2.330 -2.234 -8.069 1.00 73.24 H new ATOM 0 HG12 VAL A 7 1.024 -3.436 -8.199 1.00 73.24 H new ATOM 0 HG13 VAL A 7 0.632 -1.702 -8.124 1.00 73.24 H new ATOM 0 HG21 VAL A 7 2.724 -1.032 -5.950 1.00 14.32 H new ATOM 0 HG22 VAL A 7 1.045 -0.444 -5.893 1.00 14.32 H new ATOM 0 HG23 VAL A 7 1.714 -1.360 -4.522 1.00 14.32 H new ATOM 120 N PHE A 8 -1.733 -4.211 -7.177 1.00 31.34 N ATOM 121 CA PHE A 8 -2.223 -5.411 -7.881 1.00 51.22 C ATOM 122 C PHE A 8 -1.420 -5.698 -9.160 1.00 64.12 C ATOM 123 O PHE A 8 -1.579 -6.749 -9.787 1.00 43.02 O ATOM 124 CB PHE A 8 -3.713 -5.263 -8.232 1.00 71.52 C ATOM 125 CG PHE A 8 -4.649 -5.442 -7.059 1.00 71.32 C ATOM 126 CD1 PHE A 8 -4.751 -4.473 -6.071 1.00 3.15 C ATOM 127 CD2 PHE A 8 -5.429 -6.588 -6.947 1.00 45.54 C ATOM 128 CE1 PHE A 8 -5.609 -4.644 -4.999 1.00 23.23 C ATOM 129 CE2 PHE A 8 -6.285 -6.760 -5.878 1.00 23.11 C ATOM 130 CZ PHE A 8 -6.376 -5.788 -4.903 1.00 3.12 C ATOM 0 H PHE A 8 -2.301 -3.377 -7.326 1.00 31.34 H new ATOM 0 HA PHE A 8 -2.090 -6.253 -7.202 1.00 51.22 H new ATOM 0 HB2 PHE A 8 -3.876 -4.276 -8.665 1.00 71.52 H new ATOM 0 HB3 PHE A 8 -3.968 -5.994 -9.000 1.00 71.52 H new ATOM 0 HD1 PHE A 8 -4.154 -3.576 -6.140 1.00 3.15 H new ATOM 0 HD2 PHE A 8 -5.364 -7.353 -7.706 1.00 45.54 H new ATOM 0 HE1 PHE A 8 -5.679 -3.882 -4.237 1.00 23.23 H new ATOM 0 HE2 PHE A 8 -6.884 -7.656 -5.805 1.00 23.11 H new ATOM 0 HZ PHE A 8 -7.046 -5.922 -4.066 1.00 3.12 H new ATOM 140 N SER A 9 -0.571 -4.757 -9.555 1.00 2.21 N ATOM 141 CA SER A 9 0.256 -4.916 -10.757 1.00 62.32 C ATOM 142 C SER A 9 1.468 -5.811 -10.491 1.00 45.31 C ATOM 143 O SER A 9 2.416 -5.405 -9.820 1.00 75.54 O ATOM 144 CB SER A 9 0.738 -3.553 -11.270 1.00 10.33 C ATOM 145 OG SER A 9 -0.353 -2.729 -11.643 1.00 35.32 O ATOM 0 H SER A 9 -0.433 -3.874 -9.064 1.00 2.21 H new ATOM 0 HA SER A 9 -0.369 -5.390 -11.514 1.00 62.32 H new ATOM 0 HB2 SER A 9 1.323 -3.057 -10.496 1.00 10.33 H new ATOM 0 HB3 SER A 9 1.398 -3.696 -12.126 1.00 10.33 H new ATOM 0 HG SER A 9 -0.364 -1.926 -11.081 1.00 35.32 H new ATOM 151 N THR A 10 1.432 -7.028 -11.025 1.00 2.13 N ATOM 152 CA THR A 10 2.563 -7.959 -10.911 1.00 31.02 C ATOM 153 C THR A 10 3.714 -7.556 -11.843 1.00 70.42 C ATOM 154 O THR A 10 4.821 -8.091 -11.754 1.00 40.24 O ATOM 155 CB THR A 10 2.137 -9.410 -11.240 1.00 21.11 C ATOM 156 OG1 THR A 10 1.631 -9.489 -12.585 1.00 14.43 O ATOM 157 CG2 THR A 10 1.076 -9.901 -10.259 1.00 2.41 C ATOM 0 H THR A 10 0.634 -7.398 -11.542 1.00 2.13 H new ATOM 0 HA THR A 10 2.903 -7.911 -9.877 1.00 31.02 H new ATOM 0 HB THR A 10 3.016 -10.049 -11.150 1.00 21.11 H new ATOM 0 HG1 THR A 10 1.367 -10.412 -12.781 1.00 14.43 H new ATOM 0 HG21 THR A 10 0.793 -10.923 -10.511 1.00 2.41 H new ATOM 0 HG22 THR A 10 1.477 -9.875 -9.246 1.00 2.41 H new ATOM 0 HG23 THR A 10 0.199 -9.256 -10.319 1.00 2.41 H new ATOM 165 N ASP A 11 3.437 -6.620 -12.747 1.00 22.40 N ATOM 166 CA ASP A 11 4.448 -6.097 -13.669 1.00 74.34 C ATOM 167 C ASP A 11 5.374 -5.082 -12.969 1.00 31.33 C ATOM 168 O ASP A 11 4.918 -4.077 -12.417 1.00 22.21 O ATOM 169 CB ASP A 11 3.763 -5.453 -14.878 1.00 2.35 C ATOM 170 CG ASP A 11 2.861 -6.433 -15.610 1.00 72.34 C ATOM 171 OD1 ASP A 11 1.670 -6.543 -15.246 1.00 45.04 O ATOM 172 OD2 ASP A 11 3.343 -7.109 -16.545 1.00 12.13 O ATOM 0 H ASP A 11 2.513 -6.204 -12.863 1.00 22.40 H new ATOM 0 HA ASP A 11 5.066 -6.928 -14.008 1.00 74.34 H new ATOM 0 HB2 ASP A 11 3.175 -4.596 -14.548 1.00 2.35 H new ATOM 0 HB3 ASP A 11 4.520 -5.075 -15.565 1.00 2.35 H new ATOM 177 N GLU A 12 6.678 -5.350 -13.019 1.00 0.12 N ATOM 178 CA GLU A 12 7.681 -4.551 -12.302 1.00 3.11 C ATOM 179 C GLU A 12 7.676 -3.077 -12.754 1.00 14.32 C ATOM 180 O GLU A 12 7.813 -2.173 -11.929 1.00 1.21 O ATOM 181 CB GLU A 12 9.070 -5.187 -12.509 1.00 75.10 C ATOM 182 CG GLU A 12 10.159 -4.720 -11.535 1.00 2.03 C ATOM 183 CD GLU A 12 10.698 -3.325 -11.823 1.00 74.01 C ATOM 184 OE1 GLU A 12 10.992 -3.027 -13.002 1.00 61.24 O ATOM 185 OE2 GLU A 12 10.854 -2.531 -10.868 1.00 32.32 O ATOM 0 H GLU A 12 7.072 -6.124 -13.555 1.00 0.12 H new ATOM 0 HA GLU A 12 7.432 -4.551 -11.241 1.00 3.11 H new ATOM 0 HB2 GLU A 12 8.971 -6.269 -12.425 1.00 75.10 H new ATOM 0 HB3 GLU A 12 9.400 -4.975 -13.526 1.00 75.10 H new ATOM 0 HG2 GLU A 12 9.757 -4.740 -10.522 1.00 2.03 H new ATOM 0 HG3 GLU A 12 10.986 -5.430 -11.564 1.00 2.03 H new ATOM 192 N GLU A 13 7.498 -2.842 -14.056 1.00 44.35 N ATOM 193 CA GLU A 13 7.538 -1.482 -14.623 1.00 74.20 C ATOM 194 C GLU A 13 6.608 -0.506 -13.878 1.00 64.23 C ATOM 195 O GLU A 13 7.002 0.616 -13.558 1.00 32.02 O ATOM 196 CB GLU A 13 7.175 -1.514 -16.113 1.00 2.15 C ATOM 197 CG GLU A 13 8.122 -2.362 -16.952 1.00 25.11 C ATOM 198 CD GLU A 13 7.798 -2.314 -18.438 1.00 12.42 C ATOM 199 OE1 GLU A 13 8.333 -1.431 -19.139 1.00 54.04 O ATOM 200 OE2 GLU A 13 7.005 -3.159 -18.907 1.00 13.41 O ATOM 0 H GLU A 13 7.324 -3.575 -14.744 1.00 44.35 H new ATOM 0 HA GLU A 13 8.558 -1.118 -14.502 1.00 74.20 H new ATOM 0 HB2 GLU A 13 6.161 -1.899 -16.223 1.00 2.15 H new ATOM 0 HB3 GLU A 13 7.173 -0.495 -16.500 1.00 2.15 H new ATOM 0 HG2 GLU A 13 9.145 -2.018 -16.797 1.00 25.11 H new ATOM 0 HG3 GLU A 13 8.078 -3.396 -16.608 1.00 25.11 H new ATOM 207 N THR A 14 5.379 -0.935 -13.603 1.00 52.44 N ATOM 208 CA THR A 14 4.421 -0.106 -12.853 1.00 10.41 C ATOM 209 C THR A 14 4.914 0.158 -11.423 1.00 51.43 C ATOM 210 O THR A 14 4.908 1.297 -10.947 1.00 24.44 O ATOM 211 CB THR A 14 3.021 -0.766 -12.786 1.00 3.22 C ATOM 212 OG1 THR A 14 2.514 -0.981 -14.113 1.00 25.21 O ATOM 213 CG2 THR A 14 2.035 0.097 -12.002 1.00 61.52 C ATOM 0 H THR A 14 5.018 -1.847 -13.884 1.00 52.44 H new ATOM 0 HA THR A 14 4.342 0.839 -13.391 1.00 10.41 H new ATOM 0 HB THR A 14 3.129 -1.721 -12.272 1.00 3.22 H new ATOM 0 HG1 THR A 14 1.630 -1.400 -14.061 1.00 25.21 H new ATOM 0 HG21 THR A 14 1.063 -0.395 -11.974 1.00 61.52 H new ATOM 0 HG22 THR A 14 2.401 0.235 -10.985 1.00 61.52 H new ATOM 0 HG23 THR A 14 1.936 1.068 -12.487 1.00 61.52 H new ATOM 221 N LEU A 15 5.350 -0.905 -10.747 1.00 1.25 N ATOM 222 CA LEU A 15 5.876 -0.801 -9.379 1.00 72.14 C ATOM 223 C LEU A 15 7.122 0.100 -9.327 1.00 24.45 C ATOM 224 O LEU A 15 7.372 0.779 -8.328 1.00 1.21 O ATOM 225 CB LEU A 15 6.218 -2.199 -8.838 1.00 41.44 C ATOM 226 CG LEU A 15 6.748 -2.240 -7.393 1.00 21.45 C ATOM 227 CD1 LEU A 15 5.694 -1.718 -6.418 1.00 63.23 C ATOM 228 CD2 LEU A 15 7.184 -3.655 -7.019 1.00 22.43 C ATOM 0 H LEU A 15 5.351 -1.853 -11.123 1.00 1.25 H new ATOM 0 HA LEU A 15 5.105 -0.350 -8.755 1.00 72.14 H new ATOM 0 HB2 LEU A 15 5.324 -2.820 -8.896 1.00 41.44 H new ATOM 0 HB3 LEU A 15 6.963 -2.650 -9.493 1.00 41.44 H new ATOM 0 HG LEU A 15 7.620 -1.590 -7.328 1.00 21.45 H new ATOM 0 HD11 LEU A 15 6.088 -1.755 -5.402 1.00 63.23 H new ATOM 0 HD12 LEU A 15 5.442 -0.688 -6.672 1.00 63.23 H new ATOM 0 HD13 LEU A 15 4.800 -2.337 -6.483 1.00 63.23 H new ATOM 0 HD21 LEU A 15 7.555 -3.662 -5.994 1.00 22.43 H new ATOM 0 HD22 LEU A 15 6.333 -4.332 -7.102 1.00 22.43 H new ATOM 0 HD23 LEU A 15 7.975 -3.982 -7.694 1.00 22.43 H new ATOM 240 N ARG A 16 7.894 0.097 -10.411 1.00 4.40 N ATOM 241 CA ARG A 16 9.107 0.914 -10.517 1.00 22.12 C ATOM 242 C ARG A 16 8.807 2.405 -10.304 1.00 43.04 C ATOM 243 O ARG A 16 9.513 3.089 -9.559 1.00 14.14 O ATOM 244 CB ARG A 16 9.770 0.689 -11.881 1.00 52.11 C ATOM 245 CG ARG A 16 11.073 1.459 -12.068 1.00 12.33 C ATOM 246 CD ARG A 16 11.780 1.059 -13.357 1.00 41.32 C ATOM 247 NE ARG A 16 12.120 -0.362 -13.370 1.00 63.33 N ATOM 248 CZ ARG A 16 13.293 -0.834 -13.685 1.00 75.24 C ATOM 249 NH1 ARG A 16 14.270 -0.037 -13.979 1.00 24.22 N ATOM 250 NH2 ARG A 16 13.487 -2.110 -13.693 1.00 43.35 N ATOM 0 H ARG A 16 7.701 -0.468 -11.238 1.00 4.40 H new ATOM 0 HA ARG A 16 9.793 0.604 -9.728 1.00 22.12 H new ATOM 0 HB2 ARG A 16 9.967 -0.376 -12.007 1.00 52.11 H new ATOM 0 HB3 ARG A 16 9.072 0.979 -12.666 1.00 52.11 H new ATOM 0 HG2 ARG A 16 10.865 2.529 -12.083 1.00 12.33 H new ATOM 0 HG3 ARG A 16 11.731 1.274 -11.219 1.00 12.33 H new ATOM 0 HD2 ARG A 16 11.140 1.287 -14.209 1.00 41.32 H new ATOM 0 HD3 ARG A 16 12.688 1.651 -13.473 1.00 41.32 H new ATOM 0 HE ARG A 16 11.391 -1.029 -13.116 1.00 63.33 H new ATOM 0 HH11 ARG A 16 14.126 0.973 -13.966 1.00 24.22 H new ATOM 0 HH12 ARG A 16 15.184 -0.419 -14.224 1.00 24.22 H new ATOM 0 HH21 ARG A 16 12.724 -2.743 -13.454 1.00 43.35 H new ATOM 0 HH22 ARG A 16 14.403 -2.485 -13.939 1.00 43.35 H new ATOM 264 N LYS A 17 7.751 2.900 -10.953 1.00 10.55 N ATOM 265 CA LYS A 17 7.317 4.290 -10.768 1.00 63.24 C ATOM 266 C LYS A 17 7.022 4.579 -9.291 1.00 74.15 C ATOM 267 O LYS A 17 7.460 5.589 -8.746 1.00 60.12 O ATOM 268 CB LYS A 17 6.071 4.594 -11.622 1.00 10.03 C ATOM 269 CG LYS A 17 6.364 4.872 -13.097 1.00 53.30 C ATOM 270 CD LYS A 17 6.928 3.653 -13.823 1.00 23.54 C ATOM 271 CE LYS A 17 7.192 3.947 -15.294 1.00 33.42 C ATOM 272 NZ LYS A 17 7.664 2.743 -16.028 1.00 32.32 N ATOM 0 H LYS A 17 7.182 2.364 -11.608 1.00 10.55 H new ATOM 0 HA LYS A 17 8.131 4.938 -11.094 1.00 63.24 H new ATOM 0 HB2 LYS A 17 5.385 3.750 -11.554 1.00 10.03 H new ATOM 0 HB3 LYS A 17 5.557 5.457 -11.198 1.00 10.03 H new ATOM 0 HG2 LYS A 17 5.447 5.193 -13.592 1.00 53.30 H new ATOM 0 HG3 LYS A 17 7.073 5.696 -13.174 1.00 53.30 H new ATOM 0 HD2 LYS A 17 7.855 3.339 -13.342 1.00 23.54 H new ATOM 0 HD3 LYS A 17 6.228 2.822 -13.738 1.00 23.54 H new ATOM 0 HE2 LYS A 17 6.279 4.320 -15.758 1.00 33.42 H new ATOM 0 HE3 LYS A 17 7.938 4.738 -15.377 1.00 33.42 H new ATOM 0 HZ1 LYS A 17 8.666 2.861 -16.281 1.00 32.32 H new ATOM 0 HZ2 LYS A 17 7.557 1.904 -15.423 1.00 32.32 H new ATOM 0 HZ3 LYS A 17 7.100 2.621 -16.893 1.00 32.32 H new ATOM 286 N PHE A 18 6.294 3.669 -8.647 1.00 13.41 N ATOM 287 CA PHE A 18 5.937 3.814 -7.231 1.00 43.34 C ATOM 288 C PHE A 18 7.191 3.935 -6.349 1.00 12.32 C ATOM 289 O PHE A 18 7.317 4.864 -5.549 1.00 61.24 O ATOM 290 CB PHE A 18 5.078 2.621 -6.774 1.00 54.12 C ATOM 291 CG PHE A 18 3.668 2.629 -7.323 1.00 51.30 C ATOM 292 CD1 PHE A 18 3.425 2.876 -8.669 1.00 31.30 C ATOM 293 CD2 PHE A 18 2.585 2.398 -6.485 1.00 61.54 C ATOM 294 CE1 PHE A 18 2.136 2.890 -9.164 1.00 14.14 C ATOM 295 CE2 PHE A 18 1.295 2.412 -6.977 1.00 2.03 C ATOM 296 CZ PHE A 18 1.070 2.659 -8.317 1.00 32.54 C ATOM 0 H PHE A 18 5.937 2.819 -9.083 1.00 13.41 H new ATOM 0 HA PHE A 18 5.359 4.732 -7.122 1.00 43.34 H new ATOM 0 HB2 PHE A 18 5.569 1.696 -7.077 1.00 54.12 H new ATOM 0 HB3 PHE A 18 5.032 2.616 -5.685 1.00 54.12 H new ATOM 0 HD1 PHE A 18 4.254 3.059 -9.336 1.00 31.30 H new ATOM 0 HD2 PHE A 18 2.754 2.205 -5.436 1.00 61.54 H new ATOM 0 HE1 PHE A 18 1.962 3.081 -10.213 1.00 14.14 H new ATOM 0 HE2 PHE A 18 0.462 2.230 -6.314 1.00 2.03 H new ATOM 0 HZ PHE A 18 0.061 2.671 -8.702 1.00 32.54 H new ATOM 306 N LYS A 19 8.122 2.995 -6.516 1.00 2.34 N ATOM 307 CA LYS A 19 9.372 2.986 -5.744 1.00 5.23 C ATOM 308 C LYS A 19 10.196 4.266 -5.977 1.00 32.54 C ATOM 309 O LYS A 19 10.800 4.805 -5.046 1.00 52.34 O ATOM 310 CB LYS A 19 10.209 1.749 -6.108 1.00 12.12 C ATOM 311 CG LYS A 19 9.509 0.420 -5.818 1.00 11.45 C ATOM 312 CD LYS A 19 10.343 -0.777 -6.278 1.00 4.01 C ATOM 313 CE LYS A 19 10.556 -0.773 -7.789 1.00 31.22 C ATOM 314 NZ LYS A 19 11.429 -1.889 -8.241 1.00 21.10 N ATOM 0 H LYS A 19 8.036 2.226 -7.181 1.00 2.34 H new ATOM 0 HA LYS A 19 9.107 2.948 -4.687 1.00 5.23 H new ATOM 0 HB2 LYS A 19 10.461 1.792 -7.168 1.00 12.12 H new ATOM 0 HB3 LYS A 19 11.148 1.782 -5.555 1.00 12.12 H new ATOM 0 HG2 LYS A 19 9.315 0.338 -4.749 1.00 11.45 H new ATOM 0 HG3 LYS A 19 8.541 0.402 -6.320 1.00 11.45 H new ATOM 0 HD2 LYS A 19 11.310 -0.761 -5.775 1.00 4.01 H new ATOM 0 HD3 LYS A 19 9.846 -1.701 -5.984 1.00 4.01 H new ATOM 0 HE2 LYS A 19 9.590 -0.845 -8.290 1.00 31.22 H new ATOM 0 HE3 LYS A 19 11.000 0.176 -8.088 1.00 31.22 H new ATOM 0 HZ1 LYS A 19 11.129 -2.204 -9.185 1.00 21.10 H new ATOM 0 HZ2 LYS A 19 12.416 -1.563 -8.282 1.00 21.10 H new ATOM 0 HZ3 LYS A 19 11.354 -2.681 -7.572 1.00 21.10 H new ATOM 328 N ASP A 20 10.211 4.748 -7.222 1.00 30.04 N ATOM 329 CA ASP A 20 10.974 5.949 -7.578 1.00 45.43 C ATOM 330 C ASP A 20 10.415 7.196 -6.871 1.00 72.33 C ATOM 331 O ASP A 20 11.167 7.978 -6.281 1.00 13.44 O ATOM 332 CB ASP A 20 10.971 6.148 -9.100 1.00 65.45 C ATOM 333 CG ASP A 20 11.986 7.188 -9.550 1.00 71.31 C ATOM 334 OD1 ASP A 20 13.154 6.815 -9.803 1.00 33.54 O ATOM 335 OD2 ASP A 20 11.632 8.380 -9.638 1.00 73.45 O ATOM 0 H ASP A 20 9.704 4.326 -8.000 1.00 30.04 H new ATOM 0 HA ASP A 20 12.001 5.808 -7.242 1.00 45.43 H new ATOM 0 HB2 ASP A 20 11.187 5.198 -9.588 1.00 65.45 H new ATOM 0 HB3 ASP A 20 9.975 6.453 -9.422 1.00 65.45 H new ATOM 340 N ILE A 21 9.095 7.366 -6.922 1.00 30.13 N ATOM 341 CA ILE A 21 8.426 8.506 -6.280 1.00 32.05 C ATOM 342 C ILE A 21 8.619 8.486 -4.749 1.00 34.14 C ATOM 343 O ILE A 21 8.801 9.532 -4.116 1.00 44.30 O ATOM 344 CB ILE A 21 6.911 8.515 -6.617 1.00 60.42 C ATOM 345 CG1 ILE A 21 6.708 8.470 -8.143 1.00 51.14 C ATOM 346 CG2 ILE A 21 6.229 9.751 -6.021 1.00 73.15 C ATOM 347 CD1 ILE A 21 5.279 8.205 -8.569 1.00 4.31 C ATOM 0 H ILE A 21 8.461 6.728 -7.403 1.00 30.13 H new ATOM 0 HA ILE A 21 8.885 9.414 -6.672 1.00 32.05 H new ATOM 0 HB ILE A 21 6.453 7.630 -6.176 1.00 60.42 H new ATOM 0 HG12 ILE A 21 7.033 9.419 -8.570 1.00 51.14 H new ATOM 0 HG13 ILE A 21 7.350 7.695 -8.562 1.00 51.14 H new ATOM 0 HG21 ILE A 21 5.168 9.736 -6.270 1.00 73.15 H new ATOM 0 HG22 ILE A 21 6.348 9.745 -4.938 1.00 73.15 H new ATOM 0 HG23 ILE A 21 6.685 10.652 -6.431 1.00 73.15 H new ATOM 0 HD11 ILE A 21 5.221 8.189 -9.657 1.00 4.31 H new ATOM 0 HD12 ILE A 21 4.954 7.242 -8.174 1.00 4.31 H new ATOM 0 HD13 ILE A 21 4.632 8.993 -8.183 1.00 4.31 H new ATOM 359 N ILE A 22 8.585 7.291 -4.159 1.00 11.32 N ATOM 360 CA ILE A 22 8.814 7.131 -2.717 1.00 13.21 C ATOM 361 C ILE A 22 10.224 7.601 -2.308 1.00 61.12 C ATOM 362 O ILE A 22 10.371 8.525 -1.500 1.00 41.33 O ATOM 363 CB ILE A 22 8.609 5.661 -2.264 1.00 75.23 C ATOM 364 CG1 ILE A 22 7.151 5.225 -2.494 1.00 62.40 C ATOM 365 CG2 ILE A 22 8.994 5.493 -0.793 1.00 12.12 C ATOM 366 CD1 ILE A 22 6.881 3.779 -2.130 1.00 70.31 C ATOM 0 H ILE A 22 8.401 6.418 -4.654 1.00 11.32 H new ATOM 0 HA ILE A 22 8.076 7.759 -2.217 1.00 13.21 H new ATOM 0 HB ILE A 22 9.258 5.023 -2.863 1.00 75.23 H new ATOM 0 HG12 ILE A 22 6.493 5.867 -1.908 1.00 62.40 H new ATOM 0 HG13 ILE A 22 6.896 5.380 -3.542 1.00 62.40 H new ATOM 0 HG21 ILE A 22 8.843 4.456 -0.494 1.00 12.12 H new ATOM 0 HG22 ILE A 22 10.042 5.761 -0.658 1.00 12.12 H new ATOM 0 HG23 ILE A 22 8.371 6.142 -0.177 1.00 12.12 H new ATOM 0 HD11 ILE A 22 5.833 3.546 -2.319 1.00 70.31 H new ATOM 0 HD12 ILE A 22 7.513 3.128 -2.734 1.00 70.31 H new ATOM 0 HD13 ILE A 22 7.103 3.622 -1.074 1.00 70.31 H new ATOM 378 N LYS A 23 11.260 6.976 -2.878 1.00 10.05 N ATOM 379 CA LYS A 23 12.649 7.331 -2.550 1.00 1.03 C ATOM 380 C LYS A 23 12.956 8.795 -2.900 1.00 63.23 C ATOM 381 O LYS A 23 13.815 9.424 -2.280 1.00 12.03 O ATOM 382 CB LYS A 23 13.638 6.390 -3.256 1.00 61.12 C ATOM 383 CG LYS A 23 13.549 6.386 -4.780 1.00 72.43 C ATOM 384 CD LYS A 23 14.567 5.422 -5.396 1.00 4.11 C ATOM 385 CE LYS A 23 14.441 5.343 -6.914 1.00 63.04 C ATOM 386 NZ LYS A 23 14.686 6.657 -7.563 1.00 43.15 N ATOM 0 H LYS A 23 11.167 6.227 -3.564 1.00 10.05 H new ATOM 0 HA LYS A 23 12.769 7.213 -1.473 1.00 1.03 H new ATOM 0 HB2 LYS A 23 14.651 6.669 -2.967 1.00 61.12 H new ATOM 0 HB3 LYS A 23 13.472 5.375 -2.895 1.00 61.12 H new ATOM 0 HG2 LYS A 23 12.543 6.100 -5.087 1.00 72.43 H new ATOM 0 HG3 LYS A 23 13.724 7.393 -5.159 1.00 72.43 H new ATOM 0 HD2 LYS A 23 15.575 5.744 -5.133 1.00 4.11 H new ATOM 0 HD3 LYS A 23 14.428 4.429 -4.969 1.00 4.11 H new ATOM 0 HE2 LYS A 23 15.151 4.611 -7.299 1.00 63.04 H new ATOM 0 HE3 LYS A 23 13.444 4.989 -7.177 1.00 63.04 H new ATOM 0 HZ1 LYS A 23 14.459 6.592 -8.576 1.00 43.15 H new ATOM 0 HZ2 LYS A 23 14.085 7.381 -7.119 1.00 43.15 H new ATOM 0 HZ3 LYS A 23 15.686 6.920 -7.449 1.00 43.15 H new ATOM 400 N LYS A 24 12.242 9.330 -3.890 1.00 34.11 N ATOM 401 CA LYS A 24 12.336 10.756 -4.244 1.00 53.32 C ATOM 402 C LYS A 24 12.138 11.642 -3.003 1.00 32.24 C ATOM 403 O LYS A 24 12.822 12.651 -2.824 1.00 53.33 O ATOM 404 CB LYS A 24 11.274 11.120 -5.300 1.00 54.13 C ATOM 405 CG LYS A 24 11.445 12.519 -5.910 1.00 71.54 C ATOM 406 CD LYS A 24 10.192 13.391 -5.769 1.00 65.05 C ATOM 407 CE LYS A 24 9.979 13.863 -4.331 1.00 50.33 C ATOM 408 NZ LYS A 24 8.815 14.781 -4.201 1.00 74.34 N ATOM 0 H LYS A 24 11.588 8.800 -4.466 1.00 34.11 H new ATOM 0 HA LYS A 24 13.331 10.932 -4.653 1.00 53.32 H new ATOM 0 HB2 LYS A 24 11.306 10.381 -6.100 1.00 54.13 H new ATOM 0 HB3 LYS A 24 10.286 11.053 -4.844 1.00 54.13 H new ATOM 0 HG2 LYS A 24 12.285 13.019 -5.428 1.00 71.54 H new ATOM 0 HG3 LYS A 24 11.696 12.421 -6.966 1.00 71.54 H new ATOM 0 HD2 LYS A 24 10.278 14.257 -6.425 1.00 65.05 H new ATOM 0 HD3 LYS A 24 9.319 12.827 -6.098 1.00 65.05 H new ATOM 0 HE2 LYS A 24 9.829 12.997 -3.686 1.00 50.33 H new ATOM 0 HE3 LYS A 24 10.878 14.369 -3.981 1.00 50.33 H new ATOM 0 HZ1 LYS A 24 9.073 15.584 -3.593 1.00 74.34 H new ATOM 0 HZ2 LYS A 24 8.543 15.132 -5.141 1.00 74.34 H new ATOM 0 HZ3 LYS A 24 8.015 14.269 -3.778 1.00 74.34 H new ATOM 422 N ASN A 25 11.189 11.253 -2.152 1.00 61.35 N ATOM 423 CA ASN A 25 10.877 12.008 -0.931 1.00 0.23 C ATOM 424 C ASN A 25 11.830 11.652 0.227 1.00 54.32 C ATOM 425 O ASN A 25 11.785 12.272 1.290 1.00 43.20 O ATOM 426 CB ASN A 25 9.420 11.766 -0.516 1.00 62.34 C ATOM 427 CG ASN A 25 8.430 12.400 -1.476 1.00 31.42 C ATOM 428 OD1 ASN A 25 8.058 13.558 -1.322 1.00 21.03 O ATOM 429 ND2 ASN A 25 7.997 11.658 -2.474 1.00 63.14 N ATOM 0 H ASN A 25 10.619 10.417 -2.283 1.00 61.35 H new ATOM 0 HA ASN A 25 11.017 13.066 -1.154 1.00 0.23 H new ATOM 0 HB2 ASN A 25 9.234 10.693 -0.463 1.00 62.34 H new ATOM 0 HB3 ASN A 25 9.259 12.167 0.485 1.00 62.34 H new ATOM 0 HD21 ASN A 25 7.333 12.044 -3.146 1.00 63.14 H new ATOM 0 HD22 ASN A 25 8.325 10.698 -2.575 1.00 63.14 H new ATOM 436 N GLY A 26 12.688 10.654 0.014 1.00 22.03 N ATOM 437 CA GLY A 26 13.686 10.283 1.020 1.00 41.45 C ATOM 438 C GLY A 26 13.263 9.124 1.926 1.00 53.14 C ATOM 439 O GLY A 26 13.919 8.852 2.933 1.00 43.04 O ATOM 0 H GLY A 26 12.713 10.092 -0.837 1.00 22.03 H new ATOM 0 HA2 GLY A 26 14.613 10.014 0.514 1.00 41.45 H new ATOM 0 HA3 GLY A 26 13.902 11.153 1.639 1.00 41.45 H new ATOM 443 N PHE A 27 12.178 8.438 1.572 1.00 3.01 N ATOM 444 CA PHE A 27 11.677 7.311 2.374 1.00 74.34 C ATOM 445 C PHE A 27 12.264 5.969 1.909 1.00 14.30 C ATOM 446 O PHE A 27 12.612 5.795 0.739 1.00 14.21 O ATOM 447 CB PHE A 27 10.145 7.246 2.303 1.00 31.30 C ATOM 448 CG PHE A 27 9.451 8.421 2.949 1.00 15.11 C ATOM 449 CD1 PHE A 27 9.216 9.587 2.235 1.00 73.12 C ATOM 450 CD2 PHE A 27 9.036 8.358 4.273 1.00 75.14 C ATOM 451 CE1 PHE A 27 8.584 10.663 2.827 1.00 32.14 C ATOM 452 CE2 PHE A 27 8.405 9.434 4.868 1.00 63.12 C ATOM 453 CZ PHE A 27 8.179 10.586 4.144 1.00 40.20 C ATOM 0 H PHE A 27 11.626 8.638 0.738 1.00 3.01 H new ATOM 0 HA PHE A 27 11.994 7.483 3.403 1.00 74.34 H new ATOM 0 HB2 PHE A 27 9.842 7.188 1.258 1.00 31.30 H new ATOM 0 HB3 PHE A 27 9.808 6.328 2.784 1.00 31.30 H new ATOM 0 HD1 PHE A 27 9.531 9.654 1.204 1.00 73.12 H new ATOM 0 HD2 PHE A 27 9.208 7.458 4.844 1.00 75.14 H new ATOM 0 HE1 PHE A 27 8.407 11.565 2.259 1.00 32.14 H new ATOM 0 HE2 PHE A 27 8.089 9.373 5.899 1.00 63.12 H new ATOM 0 HZ PHE A 27 7.685 11.427 4.608 1.00 40.20 H new ATOM 463 N LYS A 28 12.364 5.020 2.837 1.00 41.43 N ATOM 464 CA LYS A 28 12.806 3.662 2.514 1.00 12.44 C ATOM 465 C LYS A 28 11.612 2.800 2.070 1.00 72.32 C ATOM 466 O LYS A 28 10.464 3.133 2.358 1.00 33.52 O ATOM 467 CB LYS A 28 13.505 3.038 3.731 1.00 52.43 C ATOM 468 CG LYS A 28 14.666 3.881 4.258 1.00 32.14 C ATOM 469 CD LYS A 28 15.427 3.199 5.398 1.00 54.20 C ATOM 470 CE LYS A 28 16.311 2.050 4.912 1.00 53.11 C ATOM 471 NZ LYS A 28 15.523 0.886 4.424 1.00 12.31 N ATOM 0 H LYS A 28 12.144 5.166 3.822 1.00 41.43 H new ATOM 0 HA LYS A 28 13.516 3.707 1.688 1.00 12.44 H new ATOM 0 HB2 LYS A 28 12.775 2.898 4.528 1.00 52.43 H new ATOM 0 HB3 LYS A 28 13.876 2.049 3.461 1.00 52.43 H new ATOM 0 HG2 LYS A 28 15.357 4.091 3.441 1.00 32.14 H new ATOM 0 HG3 LYS A 28 14.283 4.840 4.606 1.00 32.14 H new ATOM 0 HD2 LYS A 28 16.045 3.937 5.909 1.00 54.20 H new ATOM 0 HD3 LYS A 28 14.714 2.819 6.129 1.00 54.20 H new ATOM 0 HE2 LYS A 28 16.957 2.408 4.110 1.00 53.11 H new ATOM 0 HE3 LYS A 28 16.961 1.728 5.725 1.00 53.11 H new ATOM 0 HZ1 LYS A 28 16.038 0.007 4.632 1.00 12.31 H new ATOM 0 HZ2 LYS A 28 14.599 0.867 4.901 1.00 12.31 H new ATOM 0 HZ3 LYS A 28 15.380 0.969 3.397 1.00 12.31 H new ATOM 485 N VAL A 29 11.878 1.694 1.374 1.00 12.45 N ATOM 486 CA VAL A 29 10.801 0.864 0.802 1.00 22.20 C ATOM 487 C VAL A 29 10.936 -0.619 1.193 1.00 40.14 C ATOM 488 O VAL A 29 12.045 -1.132 1.353 1.00 13.13 O ATOM 489 CB VAL A 29 10.783 0.966 -0.750 1.00 3.21 C ATOM 490 CG1 VAL A 29 9.597 0.201 -1.342 1.00 22.33 C ATOM 491 CG2 VAL A 29 10.764 2.425 -1.202 1.00 32.34 C ATOM 0 H VAL A 29 12.820 1.349 1.190 1.00 12.45 H new ATOM 0 HA VAL A 29 9.869 1.251 1.214 1.00 22.20 H new ATOM 0 HB VAL A 29 11.699 0.506 -1.122 1.00 3.21 H new ATOM 0 HG11 VAL A 29 9.612 0.291 -2.428 1.00 22.33 H new ATOM 0 HG12 VAL A 29 9.667 -0.851 -1.064 1.00 22.33 H new ATOM 0 HG13 VAL A 29 8.666 0.617 -0.956 1.00 22.33 H new ATOM 0 HG21 VAL A 29 10.752 2.468 -2.291 1.00 32.34 H new ATOM 0 HG22 VAL A 29 9.874 2.916 -0.809 1.00 32.34 H new ATOM 0 HG23 VAL A 29 11.653 2.933 -0.829 1.00 32.34 H new ATOM 501 N ARG A 30 9.798 -1.297 1.357 1.00 14.23 N ATOM 502 CA ARG A 30 9.782 -2.758 1.524 1.00 51.33 C ATOM 503 C ARG A 30 8.679 -3.396 0.664 1.00 42.23 C ATOM 504 O ARG A 30 7.494 -3.228 0.945 1.00 72.23 O ATOM 505 CB ARG A 30 9.571 -3.161 2.994 1.00 12.10 C ATOM 506 CG ARG A 30 9.729 -4.667 3.220 1.00 2.22 C ATOM 507 CD ARG A 30 9.646 -5.063 4.690 1.00 31.41 C ATOM 508 NE ARG A 30 9.834 -6.506 4.861 1.00 62.01 N ATOM 509 CZ ARG A 30 10.459 -7.064 5.863 1.00 44.44 C ATOM 510 NH1 ARG A 30 10.967 -6.345 6.814 1.00 0.11 N ATOM 511 NH2 ARG A 30 10.595 -8.349 5.906 1.00 1.24 N ATOM 0 H ARG A 30 8.876 -0.862 1.378 1.00 14.23 H new ATOM 0 HA ARG A 30 10.756 -3.123 1.198 1.00 51.33 H new ATOM 0 HB2 ARG A 30 10.286 -2.626 3.620 1.00 12.10 H new ATOM 0 HB3 ARG A 30 8.575 -2.852 3.312 1.00 12.10 H new ATOM 0 HG2 ARG A 30 8.955 -5.195 2.663 1.00 2.22 H new ATOM 0 HG3 ARG A 30 10.689 -4.990 2.816 1.00 2.22 H new ATOM 0 HD2 ARG A 30 10.405 -4.525 5.258 1.00 31.41 H new ATOM 0 HD3 ARG A 30 8.677 -4.769 5.094 1.00 31.41 H new ATOM 0 HE ARG A 30 9.448 -7.121 4.144 1.00 62.01 H new ATOM 0 HH11 ARG A 30 10.882 -5.329 6.786 1.00 0.11 H new ATOM 0 HH12 ARG A 30 11.452 -6.795 7.590 1.00 0.11 H new ATOM 0 HH21 ARG A 30 10.214 -8.927 5.157 1.00 1.24 H new ATOM 0 HH22 ARG A 30 11.083 -8.784 6.689 1.00 1.24 H new ATOM 525 N THR A 31 9.070 -4.125 -0.381 1.00 41.14 N ATOM 526 CA THR A 31 8.100 -4.803 -1.256 1.00 74.33 C ATOM 527 C THR A 31 7.739 -6.194 -0.712 1.00 42.21 C ATOM 528 O THR A 31 8.544 -7.123 -0.768 1.00 25.00 O ATOM 529 CB THR A 31 8.636 -4.952 -2.703 1.00 2.12 C ATOM 530 OG1 THR A 31 9.816 -5.772 -2.713 1.00 34.43 O ATOM 531 CG2 THR A 31 8.962 -3.590 -3.310 1.00 13.34 C ATOM 0 H THR A 31 10.045 -4.264 -0.646 1.00 41.14 H new ATOM 0 HA THR A 31 7.208 -4.177 -1.274 1.00 74.33 H new ATOM 0 HB THR A 31 7.857 -5.425 -3.301 1.00 2.12 H new ATOM 0 HG1 THR A 31 9.816 -6.355 -1.926 1.00 34.43 H new ATOM 0 HG21 THR A 31 9.336 -3.724 -4.325 1.00 13.34 H new ATOM 0 HG22 THR A 31 8.061 -2.977 -3.333 1.00 13.34 H new ATOM 0 HG23 THR A 31 9.722 -3.095 -2.706 1.00 13.34 H new ATOM 539 N VAL A 32 6.529 -6.333 -0.180 1.00 4.21 N ATOM 540 CA VAL A 32 6.075 -7.607 0.383 1.00 31.24 C ATOM 541 C VAL A 32 5.625 -8.586 -0.714 1.00 43.10 C ATOM 542 O VAL A 32 4.878 -8.219 -1.622 1.00 65.25 O ATOM 543 CB VAL A 32 4.912 -7.384 1.385 1.00 41.35 C ATOM 544 CG1 VAL A 32 4.374 -8.711 1.918 1.00 24.12 C ATOM 545 CG2 VAL A 32 5.365 -6.484 2.532 1.00 5.32 C ATOM 0 H VAL A 32 5.842 -5.581 -0.125 1.00 4.21 H new ATOM 0 HA VAL A 32 6.925 -8.044 0.907 1.00 31.24 H new ATOM 0 HB VAL A 32 4.099 -6.889 0.853 1.00 41.35 H new ATOM 0 HG11 VAL A 32 3.560 -8.519 2.617 1.00 24.12 H new ATOM 0 HG12 VAL A 32 4.005 -9.314 1.088 1.00 24.12 H new ATOM 0 HG13 VAL A 32 5.173 -9.248 2.429 1.00 24.12 H new ATOM 0 HG21 VAL A 32 4.538 -6.336 3.227 1.00 5.32 H new ATOM 0 HG22 VAL A 32 6.199 -6.952 3.054 1.00 5.32 H new ATOM 0 HG23 VAL A 32 5.681 -5.520 2.135 1.00 5.32 H new ATOM 555 N ARG A 33 6.088 -9.834 -0.619 1.00 32.01 N ATOM 556 CA ARG A 33 5.666 -10.893 -1.546 1.00 71.42 C ATOM 557 C ARG A 33 5.123 -12.118 -0.787 1.00 64.42 C ATOM 558 O ARG A 33 4.597 -13.052 -1.392 1.00 3.11 O ATOM 559 CB ARG A 33 6.824 -11.311 -2.475 1.00 71.43 C ATOM 560 CG ARG A 33 8.009 -11.989 -1.777 1.00 45.51 C ATOM 561 CD ARG A 33 8.889 -10.996 -1.017 1.00 72.21 C ATOM 562 NE ARG A 33 9.518 -10.019 -1.906 1.00 65.23 N ATOM 563 CZ ARG A 33 10.572 -9.313 -1.594 1.00 12.14 C ATOM 564 NH1 ARG A 33 11.132 -9.427 -0.433 1.00 12.43 N ATOM 565 NH2 ARG A 33 11.066 -8.484 -2.455 1.00 44.13 N ATOM 0 H ARG A 33 6.755 -10.139 0.090 1.00 32.01 H new ATOM 0 HA ARG A 33 4.861 -10.487 -2.158 1.00 71.42 H new ATOM 0 HB2 ARG A 33 6.433 -11.989 -3.234 1.00 71.43 H new ATOM 0 HB3 ARG A 33 7.188 -10.426 -2.996 1.00 71.43 H new ATOM 0 HG2 ARG A 33 7.635 -12.742 -1.084 1.00 45.51 H new ATOM 0 HG3 ARG A 33 8.613 -12.511 -2.519 1.00 45.51 H new ATOM 0 HD2 ARG A 33 8.286 -10.473 -0.275 1.00 72.21 H new ATOM 0 HD3 ARG A 33 9.662 -11.540 -0.474 1.00 72.21 H new ATOM 0 HE ARG A 33 9.107 -9.880 -2.829 1.00 65.23 H new ATOM 0 HH11 ARG A 33 10.751 -10.076 0.255 1.00 12.43 H new ATOM 0 HH12 ARG A 33 11.954 -8.868 -0.206 1.00 12.43 H new ATOM 0 HH21 ARG A 33 10.633 -8.384 -3.373 1.00 44.13 H new ATOM 0 HH22 ARG A 33 11.889 -7.931 -2.216 1.00 44.13 H new ATOM 579 N SER A 34 5.244 -12.095 0.540 1.00 14.20 N ATOM 580 CA SER A 34 4.783 -13.203 1.395 1.00 31.54 C ATOM 581 C SER A 34 4.302 -12.670 2.756 1.00 13.12 C ATOM 582 O SER A 34 4.775 -11.632 3.217 1.00 33.40 O ATOM 583 CB SER A 34 5.910 -14.232 1.597 1.00 13.22 C ATOM 584 OG SER A 34 6.280 -14.844 0.371 1.00 2.14 O ATOM 0 H SER A 34 5.659 -11.318 1.055 1.00 14.20 H new ATOM 0 HA SER A 34 3.947 -13.694 0.898 1.00 31.54 H new ATOM 0 HB2 SER A 34 6.778 -13.741 2.037 1.00 13.22 H new ATOM 0 HB3 SER A 34 5.585 -14.996 2.303 1.00 13.22 H new ATOM 0 HG SER A 34 6.998 -15.491 0.532 1.00 2.14 H new ATOM 590 N PRO A 35 3.358 -13.368 3.424 1.00 14.11 N ATOM 591 CA PRO A 35 2.760 -12.898 4.694 1.00 0.54 C ATOM 592 C PRO A 35 3.805 -12.546 5.771 1.00 1.52 C ATOM 593 O PRO A 35 3.701 -11.512 6.441 1.00 5.42 O ATOM 594 CB PRO A 35 1.874 -14.078 5.145 1.00 20.31 C ATOM 595 CG PRO A 35 2.306 -15.242 4.312 1.00 1.44 C ATOM 596 CD PRO A 35 2.793 -14.665 3.012 1.00 52.23 C ATOM 0 HA PRO A 35 2.208 -11.969 4.549 1.00 0.54 H new ATOM 0 HB2 PRO A 35 2.006 -14.285 6.207 1.00 20.31 H new ATOM 0 HB3 PRO A 35 0.818 -13.857 4.992 1.00 20.31 H new ATOM 0 HG2 PRO A 35 3.096 -15.805 4.809 1.00 1.44 H new ATOM 0 HG3 PRO A 35 1.478 -15.932 4.147 1.00 1.44 H new ATOM 0 HD2 PRO A 35 3.542 -15.302 2.542 1.00 52.23 H new ATOM 0 HD3 PRO A 35 1.982 -14.544 2.294 1.00 52.23 H new ATOM 604 N GLN A 36 4.824 -13.392 5.925 1.00 63.25 N ATOM 605 CA GLN A 36 5.885 -13.140 6.906 1.00 32.51 C ATOM 606 C GLN A 36 6.678 -11.869 6.562 1.00 73.43 C ATOM 607 O GLN A 36 7.205 -11.203 7.445 1.00 2.54 O ATOM 608 CB GLN A 36 6.835 -14.341 7.006 1.00 71.01 C ATOM 609 CG GLN A 36 7.958 -14.140 8.018 1.00 64.03 C ATOM 610 CD GLN A 36 8.856 -15.354 8.166 1.00 0.32 C ATOM 611 OE1 GLN A 36 9.041 -16.129 7.234 1.00 20.14 O ATOM 612 NE2 GLN A 36 9.435 -15.521 9.337 1.00 72.31 N ATOM 0 H GLN A 36 4.939 -14.252 5.389 1.00 63.25 H new ATOM 0 HA GLN A 36 5.404 -12.991 7.873 1.00 32.51 H new ATOM 0 HB2 GLN A 36 6.262 -15.227 7.281 1.00 71.01 H new ATOM 0 HB3 GLN A 36 7.270 -14.534 6.025 1.00 71.01 H new ATOM 0 HG2 GLN A 36 8.562 -13.285 7.715 1.00 64.03 H new ATOM 0 HG3 GLN A 36 7.524 -13.897 8.988 1.00 64.03 H new ATOM 0 HE21 GLN A 36 9.260 -14.858 10.092 1.00 72.31 H new ATOM 0 HE22 GLN A 36 10.059 -16.314 9.489 1.00 72.31 H new ATOM 621 N GLU A 37 6.755 -11.534 5.276 1.00 32.23 N ATOM 622 CA GLU A 37 7.424 -10.303 4.831 1.00 55.54 C ATOM 623 C GLU A 37 6.697 -9.048 5.331 1.00 2.42 C ATOM 624 O GLU A 37 7.292 -7.976 5.435 1.00 51.03 O ATOM 625 CB GLU A 37 7.536 -10.280 3.300 1.00 25.33 C ATOM 626 CG GLU A 37 8.597 -11.226 2.747 1.00 2.21 C ATOM 627 CD GLU A 37 10.017 -10.725 2.981 1.00 61.12 C ATOM 628 OE1 GLU A 37 10.401 -10.513 4.154 1.00 4.12 O ATOM 629 OE2 GLU A 37 10.751 -10.529 1.993 1.00 4.11 O ATOM 0 H GLU A 37 6.364 -12.095 4.519 1.00 32.23 H new ATOM 0 HA GLU A 37 8.425 -10.298 5.262 1.00 55.54 H new ATOM 0 HB2 GLU A 37 6.569 -10.542 2.870 1.00 25.33 H new ATOM 0 HB3 GLU A 37 7.764 -9.264 2.977 1.00 25.33 H new ATOM 0 HG2 GLU A 37 8.481 -12.205 3.212 1.00 2.21 H new ATOM 0 HG3 GLU A 37 8.436 -11.360 1.677 1.00 2.21 H new ATOM 636 N LEU A 38 5.409 -9.188 5.632 1.00 12.23 N ATOM 637 CA LEU A 38 4.627 -8.094 6.214 1.00 33.34 C ATOM 638 C LEU A 38 4.830 -8.040 7.737 1.00 22.41 C ATOM 639 O LEU A 38 5.189 -7.002 8.294 1.00 60.13 O ATOM 640 CB LEU A 38 3.139 -8.271 5.881 1.00 22.03 C ATOM 641 CG LEU A 38 2.210 -7.144 6.369 1.00 53.11 C ATOM 642 CD1 LEU A 38 2.593 -5.807 5.734 1.00 42.24 C ATOM 643 CD2 LEU A 38 0.752 -7.487 6.073 1.00 73.32 C ATOM 0 H LEU A 38 4.881 -10.048 5.483 1.00 12.23 H new ATOM 0 HA LEU A 38 4.973 -7.153 5.786 1.00 33.34 H new ATOM 0 HB2 LEU A 38 3.035 -8.361 4.800 1.00 22.03 H new ATOM 0 HB3 LEU A 38 2.798 -9.212 6.313 1.00 22.03 H new ATOM 0 HG LEU A 38 2.328 -7.048 7.448 1.00 53.11 H new ATOM 0 HD11 LEU A 38 1.922 -5.027 6.095 1.00 42.24 H new ATOM 0 HD12 LEU A 38 3.619 -5.556 6.004 1.00 42.24 H new ATOM 0 HD13 LEU A 38 2.512 -5.883 4.650 1.00 42.24 H new ATOM 0 HD21 LEU A 38 0.110 -6.680 6.425 1.00 73.32 H new ATOM 0 HD22 LEU A 38 0.619 -7.615 4.999 1.00 73.32 H new ATOM 0 HD23 LEU A 38 0.485 -8.412 6.584 1.00 73.32 H new ATOM 655 N LYS A 39 4.611 -9.178 8.399 1.00 23.53 N ATOM 656 CA LYS A 39 4.807 -9.296 9.850 1.00 45.00 C ATOM 657 C LYS A 39 6.239 -8.912 10.260 1.00 34.42 C ATOM 658 O LYS A 39 6.447 -8.196 11.240 1.00 13.03 O ATOM 659 CB LYS A 39 4.500 -10.733 10.300 1.00 65.31 C ATOM 660 CG LYS A 39 4.671 -10.971 11.800 1.00 14.42 C ATOM 661 CD LYS A 39 4.337 -12.412 12.184 1.00 2.21 C ATOM 662 CE LYS A 39 4.472 -12.650 13.685 1.00 4.31 C ATOM 663 NZ LYS A 39 5.847 -12.371 14.177 1.00 74.12 N ATOM 0 H LYS A 39 4.295 -10.038 7.951 1.00 23.53 H new ATOM 0 HA LYS A 39 4.123 -8.603 10.340 1.00 45.00 H new ATOM 0 HB2 LYS A 39 3.476 -10.978 10.019 1.00 65.31 H new ATOM 0 HB3 LYS A 39 5.152 -11.418 9.758 1.00 65.31 H new ATOM 0 HG2 LYS A 39 5.697 -10.745 12.090 1.00 14.42 H new ATOM 0 HG3 LYS A 39 4.026 -10.288 12.353 1.00 14.42 H new ATOM 0 HD2 LYS A 39 3.319 -12.644 11.870 1.00 2.21 H new ATOM 0 HD3 LYS A 39 4.999 -13.093 11.648 1.00 2.21 H new ATOM 0 HE2 LYS A 39 3.762 -12.016 14.217 1.00 4.31 H new ATOM 0 HE3 LYS A 39 4.209 -13.683 13.912 1.00 4.31 H new ATOM 0 HZ1 LYS A 39 6.104 -13.069 14.903 1.00 74.12 H new ATOM 0 HZ2 LYS A 39 6.518 -12.432 13.385 1.00 74.12 H new ATOM 0 HZ3 LYS A 39 5.882 -11.416 14.587 1.00 74.12 H new ATOM 677 N ASP A 40 7.214 -9.379 9.485 1.00 12.22 N ATOM 678 CA ASP A 40 8.632 -9.123 9.759 1.00 24.22 C ATOM 679 C ASP A 40 8.934 -7.616 9.817 1.00 41.13 C ATOM 680 O ASP A 40 9.810 -7.174 10.563 1.00 71.32 O ATOM 681 CB ASP A 40 9.492 -9.802 8.689 1.00 0.43 C ATOM 682 CG ASP A 40 10.974 -9.698 8.978 1.00 3.41 C ATOM 683 OD1 ASP A 40 11.483 -10.502 9.781 1.00 73.12 O ATOM 684 OD2 ASP A 40 11.639 -8.818 8.394 1.00 20.03 O ATOM 0 H ASP A 40 7.049 -9.944 8.652 1.00 12.22 H new ATOM 0 HA ASP A 40 8.873 -9.540 10.737 1.00 24.22 H new ATOM 0 HB2 ASP A 40 9.213 -10.853 8.618 1.00 0.43 H new ATOM 0 HB3 ASP A 40 9.282 -9.350 7.720 1.00 0.43 H new ATOM 689 N SER A 41 8.197 -6.831 9.033 1.00 34.33 N ATOM 690 CA SER A 41 8.333 -5.370 9.062 1.00 64.11 C ATOM 691 C SER A 41 8.000 -4.827 10.459 1.00 74.10 C ATOM 692 O SER A 41 8.714 -3.984 10.997 1.00 31.14 O ATOM 693 CB SER A 41 7.418 -4.720 8.014 1.00 51.32 C ATOM 694 OG SER A 41 7.586 -3.312 7.985 1.00 1.43 O ATOM 0 H SER A 41 7.502 -7.177 8.372 1.00 34.33 H new ATOM 0 HA SER A 41 9.367 -5.120 8.825 1.00 64.11 H new ATOM 0 HB2 SER A 41 7.637 -5.135 7.030 1.00 51.32 H new ATOM 0 HB3 SER A 41 6.378 -4.960 8.237 1.00 51.32 H new ATOM 0 HG SER A 41 6.992 -2.926 7.308 1.00 1.43 H new ATOM 700 N ILE A 42 6.921 -5.343 11.051 1.00 74.42 N ATOM 701 CA ILE A 42 6.526 -4.969 12.417 1.00 23.34 C ATOM 702 C ILE A 42 7.566 -5.466 13.440 1.00 23.25 C ATOM 703 O ILE A 42 7.892 -4.764 14.402 1.00 61.22 O ATOM 704 CB ILE A 42 5.114 -5.524 12.784 1.00 10.33 C ATOM 705 CG1 ILE A 42 4.002 -4.787 12.003 1.00 32.45 C ATOM 706 CG2 ILE A 42 4.856 -5.425 14.290 1.00 22.14 C ATOM 707 CD1 ILE A 42 4.031 -5.005 10.505 1.00 45.14 C ATOM 0 H ILE A 42 6.302 -6.022 10.608 1.00 74.42 H new ATOM 0 HA ILE A 42 6.481 -3.881 12.452 1.00 23.34 H new ATOM 0 HB ILE A 42 5.094 -6.576 12.499 1.00 10.33 H new ATOM 0 HG12 ILE A 42 3.033 -5.110 12.385 1.00 32.45 H new ATOM 0 HG13 ILE A 42 4.083 -3.719 12.203 1.00 32.45 H new ATOM 0 HG21 ILE A 42 3.865 -5.819 14.516 1.00 22.14 H new ATOM 0 HG22 ILE A 42 5.608 -6.004 14.827 1.00 22.14 H new ATOM 0 HG23 ILE A 42 4.911 -4.382 14.601 1.00 22.14 H new ATOM 0 HD11 ILE A 42 3.216 -4.450 10.041 1.00 45.14 H new ATOM 0 HD12 ILE A 42 4.982 -4.655 10.105 1.00 45.14 H new ATOM 0 HD13 ILE A 42 3.916 -6.067 10.290 1.00 45.14 H new ATOM 719 N GLU A 43 8.089 -6.675 13.217 1.00 2.12 N ATOM 720 CA GLU A 43 9.169 -7.225 14.053 1.00 42.10 C ATOM 721 C GLU A 43 10.378 -6.271 14.091 1.00 65.40 C ATOM 722 O GLU A 43 11.093 -6.188 15.093 1.00 34.20 O ATOM 723 CB GLU A 43 9.615 -8.597 13.522 1.00 34.12 C ATOM 724 CG GLU A 43 8.489 -9.620 13.378 1.00 23.01 C ATOM 725 CD GLU A 43 7.804 -9.958 14.694 1.00 15.32 C ATOM 726 OE1 GLU A 43 8.488 -10.441 15.619 1.00 13.33 O ATOM 727 OE2 GLU A 43 6.573 -9.779 14.797 1.00 53.32 O ATOM 0 H GLU A 43 7.785 -7.294 12.466 1.00 2.12 H new ATOM 0 HA GLU A 43 8.780 -7.339 15.065 1.00 42.10 H new ATOM 0 HB2 GLU A 43 10.089 -8.459 12.550 1.00 34.12 H new ATOM 0 HB3 GLU A 43 10.373 -9.002 14.192 1.00 34.12 H new ATOM 0 HG2 GLU A 43 7.746 -9.235 12.679 1.00 23.01 H new ATOM 0 HG3 GLU A 43 8.893 -10.534 12.942 1.00 23.01 H new ATOM 734 N GLU A 44 10.609 -5.568 12.983 1.00 55.51 N ATOM 735 CA GLU A 44 11.652 -4.537 12.916 1.00 63.42 C ATOM 736 C GLU A 44 11.201 -3.233 13.593 1.00 13.44 C ATOM 737 O GLU A 44 11.934 -2.662 14.399 1.00 15.04 O ATOM 738 CB GLU A 44 12.043 -4.259 11.453 1.00 15.13 C ATOM 739 CG GLU A 44 12.904 -5.350 10.819 1.00 22.41 C ATOM 740 CD GLU A 44 14.249 -5.515 11.517 1.00 43.45 C ATOM 741 OE1 GLU A 44 15.151 -4.682 11.293 1.00 35.44 O ATOM 742 OE2 GLU A 44 14.411 -6.480 12.292 1.00 53.53 O ATOM 0 H GLU A 44 10.088 -5.692 12.115 1.00 55.51 H new ATOM 0 HA GLU A 44 12.521 -4.916 13.454 1.00 63.42 H new ATOM 0 HB2 GLU A 44 11.135 -4.139 10.862 1.00 15.13 H new ATOM 0 HB3 GLU A 44 12.582 -3.313 11.406 1.00 15.13 H new ATOM 0 HG2 GLU A 44 12.365 -6.297 10.849 1.00 22.41 H new ATOM 0 HG3 GLU A 44 13.071 -5.112 9.769 1.00 22.41 H new ATOM 749 N LEU A 45 9.985 -2.784 13.275 1.00 73.20 N ATOM 750 CA LEU A 45 9.452 -1.512 13.794 1.00 40.50 C ATOM 751 C LEU A 45 9.429 -1.465 15.333 1.00 35.31 C ATOM 752 O LEU A 45 9.666 -0.416 15.930 1.00 0.20 O ATOM 753 CB LEU A 45 8.040 -1.262 13.243 1.00 11.21 C ATOM 754 CG LEU A 45 7.954 -1.053 11.720 1.00 22.03 C ATOM 755 CD1 LEU A 45 6.500 -0.890 11.284 1.00 55.32 C ATOM 756 CD2 LEU A 45 8.789 0.153 11.288 1.00 12.25 C ATOM 0 H LEU A 45 9.344 -3.282 12.657 1.00 73.20 H new ATOM 0 HA LEU A 45 10.125 -0.724 13.455 1.00 40.50 H new ATOM 0 HB2 LEU A 45 7.408 -2.108 13.513 1.00 11.21 H new ATOM 0 HB3 LEU A 45 7.625 -0.383 13.737 1.00 11.21 H new ATOM 0 HG LEU A 45 8.362 -1.937 11.230 1.00 22.03 H new ATOM 0 HD11 LEU A 45 6.458 -0.743 10.205 1.00 55.32 H new ATOM 0 HD12 LEU A 45 5.938 -1.785 11.551 1.00 55.32 H new ATOM 0 HD13 LEU A 45 6.065 -0.025 11.785 1.00 55.32 H new ATOM 0 HD21 LEU A 45 8.713 0.280 10.208 1.00 12.25 H new ATOM 0 HD22 LEU A 45 8.419 1.049 11.786 1.00 12.25 H new ATOM 0 HD23 LEU A 45 9.832 -0.010 11.561 1.00 12.25 H new ATOM 768 N VAL A 46 9.142 -2.598 15.973 1.00 10.21 N ATOM 769 CA VAL A 46 9.131 -2.664 17.440 1.00 71.20 C ATOM 770 C VAL A 46 10.545 -2.472 18.028 1.00 3.43 C ATOM 771 O VAL A 46 10.702 -2.085 19.188 1.00 12.05 O ATOM 772 CB VAL A 46 8.531 -4.005 17.941 1.00 2.54 C ATOM 773 CG1 VAL A 46 9.398 -5.187 17.521 1.00 44.45 C ATOM 774 CG2 VAL A 46 8.327 -3.984 19.456 1.00 54.22 C ATOM 0 H VAL A 46 8.916 -3.477 15.507 1.00 10.21 H new ATOM 0 HA VAL A 46 8.499 -1.847 17.787 1.00 71.20 H new ATOM 0 HB VAL A 46 7.554 -4.127 17.474 1.00 2.54 H new ATOM 0 HG11 VAL A 46 8.953 -6.113 17.886 1.00 44.45 H new ATOM 0 HG12 VAL A 46 9.465 -5.221 16.434 1.00 44.45 H new ATOM 0 HG13 VAL A 46 10.397 -5.074 17.943 1.00 44.45 H new ATOM 0 HG21 VAL A 46 7.906 -4.936 19.780 1.00 54.22 H new ATOM 0 HG22 VAL A 46 9.285 -3.825 19.950 1.00 54.22 H new ATOM 0 HG23 VAL A 46 7.644 -3.176 19.720 1.00 54.22 H new ATOM 784 N LYS A 47 11.569 -2.739 17.220 1.00 45.20 N ATOM 785 CA LYS A 47 12.961 -2.559 17.643 1.00 14.31 C ATOM 786 C LYS A 47 13.485 -1.169 17.240 1.00 74.40 C ATOM 787 O LYS A 47 14.020 -0.427 18.068 1.00 74.43 O ATOM 788 CB LYS A 47 13.841 -3.656 17.025 1.00 12.14 C ATOM 789 CG LYS A 47 13.410 -5.092 17.360 1.00 41.02 C ATOM 790 CD LYS A 47 13.756 -5.507 18.798 1.00 63.41 C ATOM 791 CE LYS A 47 12.785 -4.941 19.832 1.00 54.54 C ATOM 792 NZ LYS A 47 13.143 -5.351 21.215 1.00 4.35 N ATOM 0 H LYS A 47 11.463 -3.082 16.265 1.00 45.20 H new ATOM 0 HA LYS A 47 13.002 -2.634 18.730 1.00 14.31 H new ATOM 0 HB2 LYS A 47 13.841 -3.535 15.942 1.00 12.14 H new ATOM 0 HB3 LYS A 47 14.868 -3.512 17.362 1.00 12.14 H new ATOM 0 HG2 LYS A 47 12.334 -5.186 17.210 1.00 41.02 H new ATOM 0 HG3 LYS A 47 13.890 -5.780 16.664 1.00 41.02 H new ATOM 0 HD2 LYS A 47 13.757 -6.595 18.866 1.00 63.41 H new ATOM 0 HD3 LYS A 47 14.766 -5.172 19.034 1.00 63.41 H new ATOM 0 HE2 LYS A 47 12.779 -3.853 19.766 1.00 54.54 H new ATOM 0 HE3 LYS A 47 11.774 -5.279 19.604 1.00 54.54 H new ATOM 0 HZ1 LYS A 47 12.459 -4.946 21.885 1.00 4.35 H new ATOM 0 HZ2 LYS A 47 13.124 -6.388 21.286 1.00 4.35 H new ATOM 0 HZ3 LYS A 47 14.097 -5.006 21.443 1.00 4.35 H new ATOM 806 N LYS A 48 13.324 -0.832 15.962 1.00 32.14 N ATOM 807 CA LYS A 48 13.727 0.475 15.429 1.00 32.31 C ATOM 808 C LYS A 48 12.699 0.992 14.406 1.00 15.44 C ATOM 809 O LYS A 48 12.443 0.353 13.382 1.00 51.13 O ATOM 810 CB LYS A 48 15.125 0.392 14.788 1.00 32.53 C ATOM 811 CG LYS A 48 15.263 -0.686 13.712 1.00 63.42 C ATOM 812 CD LYS A 48 16.632 -0.634 13.036 1.00 11.04 C ATOM 813 CE LYS A 48 16.832 -1.786 12.055 1.00 71.24 C ATOM 814 NZ LYS A 48 16.733 -3.116 12.720 1.00 4.02 N ATOM 0 H LYS A 48 12.912 -1.453 15.265 1.00 32.14 H new ATOM 0 HA LYS A 48 13.767 1.180 16.260 1.00 32.31 H new ATOM 0 HB2 LYS A 48 15.368 1.360 14.349 1.00 32.53 H new ATOM 0 HB3 LYS A 48 15.860 0.203 15.571 1.00 32.53 H new ATOM 0 HG2 LYS A 48 15.115 -1.669 14.160 1.00 63.42 H new ATOM 0 HG3 LYS A 48 14.482 -0.556 12.963 1.00 63.42 H new ATOM 0 HD2 LYS A 48 16.740 0.314 12.508 1.00 11.04 H new ATOM 0 HD3 LYS A 48 17.413 -0.666 13.796 1.00 11.04 H new ATOM 0 HE2 LYS A 48 16.085 -1.721 11.264 1.00 71.24 H new ATOM 0 HE3 LYS A 48 17.808 -1.691 11.580 1.00 71.24 H new ATOM 0 HZ1 LYS A 48 17.579 -3.678 12.499 1.00 4.02 H new ATOM 0 HZ2 LYS A 48 16.663 -2.985 13.749 1.00 4.02 H new ATOM 0 HZ3 LYS A 48 15.887 -3.614 12.376 1.00 4.02 H new ATOM 828 N TYR A 49 12.109 2.151 14.686 1.00 34.02 N ATOM 829 CA TYR A 49 11.095 2.735 13.801 1.00 21.41 C ATOM 830 C TYR A 49 11.669 3.894 12.968 1.00 43.54 C ATOM 831 O TYR A 49 11.786 5.030 13.435 1.00 63.41 O ATOM 832 CB TYR A 49 9.856 3.181 14.604 1.00 64.20 C ATOM 833 CG TYR A 49 10.172 3.871 15.923 1.00 22.53 C ATOM 834 CD1 TYR A 49 10.404 3.126 17.078 1.00 52.54 C ATOM 835 CD2 TYR A 49 10.242 5.260 16.018 1.00 53.22 C ATOM 836 CE1 TYR A 49 10.693 3.741 18.279 1.00 60.55 C ATOM 837 CE2 TYR A 49 10.533 5.880 17.220 1.00 31.05 C ATOM 838 CZ TYR A 49 10.758 5.116 18.345 1.00 54.13 C ATOM 839 OH TYR A 49 11.052 5.729 19.544 1.00 61.04 O ATOM 0 H TYR A 49 12.313 2.707 15.517 1.00 34.02 H new ATOM 0 HA TYR A 49 10.781 1.960 13.101 1.00 21.41 H new ATOM 0 HB2 TYR A 49 9.264 3.857 13.988 1.00 64.20 H new ATOM 0 HB3 TYR A 49 9.236 2.308 14.805 1.00 64.20 H new ATOM 0 HD1 TYR A 49 10.357 2.048 17.032 1.00 52.54 H new ATOM 0 HD2 TYR A 49 10.066 5.862 15.139 1.00 53.22 H new ATOM 0 HE1 TYR A 49 10.868 3.147 19.164 1.00 60.55 H new ATOM 0 HE2 TYR A 49 10.584 6.957 17.277 1.00 31.05 H new ATOM 0 HH TYR A 49 11.061 6.701 19.421 1.00 61.04 H new ATOM 849 N ASN A 50 12.053 3.580 11.734 1.00 20.31 N ATOM 850 CA ASN A 50 12.557 4.581 10.784 1.00 74.15 C ATOM 851 C ASN A 50 11.625 4.677 9.559 1.00 72.31 C ATOM 852 O ASN A 50 10.846 3.760 9.289 1.00 54.40 O ATOM 853 CB ASN A 50 13.989 4.220 10.353 1.00 32.14 C ATOM 854 CG ASN A 50 14.621 5.275 9.459 1.00 1.13 C ATOM 855 OD1 ASN A 50 14.322 6.459 9.565 1.00 25.12 O ATOM 856 ND2 ASN A 50 15.504 4.860 8.573 1.00 35.25 N ATOM 0 H ASN A 50 12.026 2.631 11.361 1.00 20.31 H new ATOM 0 HA ASN A 50 12.576 5.555 11.272 1.00 74.15 H new ATOM 0 HB2 ASN A 50 14.607 4.085 11.241 1.00 32.14 H new ATOM 0 HB3 ASN A 50 13.975 3.266 9.826 1.00 32.14 H new ATOM 0 HD21 ASN A 50 15.958 5.531 7.953 1.00 35.25 H new ATOM 0 HD22 ASN A 50 15.733 3.868 8.507 1.00 35.25 H new ATOM 863 N ALA A 51 11.710 5.784 8.823 1.00 41.35 N ATOM 864 CA ALA A 51 10.813 6.038 7.687 1.00 53.51 C ATOM 865 C ALA A 51 10.940 4.978 6.572 1.00 32.23 C ATOM 866 O ALA A 51 11.777 5.098 5.674 1.00 4.34 O ATOM 867 CB ALA A 51 11.067 7.434 7.127 1.00 5.51 C ATOM 0 H ALA A 51 12.392 6.524 8.991 1.00 41.35 H new ATOM 0 HA ALA A 51 9.792 5.972 8.063 1.00 53.51 H new ATOM 0 HB1 ALA A 51 10.399 7.616 6.285 1.00 5.51 H new ATOM 0 HB2 ALA A 51 10.883 8.177 7.903 1.00 5.51 H new ATOM 0 HB3 ALA A 51 12.101 7.509 6.792 1.00 5.51 H new ATOM 873 N THR A 52 10.104 3.940 6.644 1.00 72.52 N ATOM 874 CA THR A 52 10.046 2.898 5.602 1.00 73.31 C ATOM 875 C THR A 52 8.600 2.630 5.164 1.00 70.31 C ATOM 876 O THR A 52 7.798 2.111 5.939 1.00 53.11 O ATOM 877 CB THR A 52 10.667 1.554 6.076 1.00 54.15 C ATOM 878 OG1 THR A 52 12.066 1.716 6.367 1.00 23.22 O ATOM 879 CG2 THR A 52 10.499 0.462 5.018 1.00 24.13 C ATOM 0 H THR A 52 9.452 3.793 7.415 1.00 72.52 H new ATOM 0 HA THR A 52 10.627 3.282 4.764 1.00 73.31 H new ATOM 0 HB THR A 52 10.139 1.254 6.981 1.00 54.15 H new ATOM 0 HG1 THR A 52 12.439 0.860 6.665 1.00 23.22 H new ATOM 0 HG21 THR A 52 10.943 -0.466 5.379 1.00 24.13 H new ATOM 0 HG22 THR A 52 9.438 0.304 4.823 1.00 24.13 H new ATOM 0 HG23 THR A 52 10.996 0.768 4.097 1.00 24.13 H new ATOM 887 N ILE A 53 8.271 2.985 3.924 1.00 65.12 N ATOM 888 CA ILE A 53 6.943 2.705 3.369 1.00 61.32 C ATOM 889 C ILE A 53 6.863 1.262 2.841 1.00 63.42 C ATOM 890 O ILE A 53 7.635 0.857 1.964 1.00 72.05 O ATOM 891 CB ILE A 53 6.575 3.695 2.232 1.00 63.13 C ATOM 892 CG1 ILE A 53 6.608 5.143 2.753 1.00 12.40 C ATOM 893 CG2 ILE A 53 5.200 3.358 1.648 1.00 24.11 C ATOM 894 CD1 ILE A 53 6.230 6.182 1.716 1.00 21.50 C ATOM 0 H ILE A 53 8.902 3.466 3.283 1.00 65.12 H new ATOM 0 HA ILE A 53 6.226 2.832 4.180 1.00 61.32 H new ATOM 0 HB ILE A 53 7.313 3.599 1.436 1.00 63.13 H new ATOM 0 HG12 ILE A 53 5.929 5.228 3.601 1.00 12.40 H new ATOM 0 HG13 ILE A 53 7.610 5.362 3.123 1.00 12.40 H new ATOM 0 HG21 ILE A 53 4.960 4.063 0.852 1.00 24.11 H new ATOM 0 HG22 ILE A 53 5.215 2.346 1.244 1.00 24.11 H new ATOM 0 HG23 ILE A 53 4.446 3.425 2.432 1.00 24.11 H new ATOM 0 HD11 ILE A 53 6.278 7.175 2.162 1.00 21.50 H new ATOM 0 HD12 ILE A 53 6.923 6.127 0.877 1.00 21.50 H new ATOM 0 HD13 ILE A 53 5.217 5.991 1.363 1.00 21.50 H new ATOM 906 N VAL A 54 5.930 0.485 3.383 1.00 13.01 N ATOM 907 CA VAL A 54 5.774 -0.920 2.994 1.00 75.41 C ATOM 908 C VAL A 54 4.782 -1.084 1.824 1.00 45.20 C ATOM 909 O VAL A 54 3.603 -0.732 1.922 1.00 13.13 O ATOM 910 CB VAL A 54 5.332 -1.794 4.201 1.00 2.41 C ATOM 911 CG1 VAL A 54 4.076 -1.233 4.859 1.00 41.03 C ATOM 912 CG2 VAL A 54 5.126 -3.249 3.777 1.00 34.24 C ATOM 0 H VAL A 54 5.269 0.801 4.093 1.00 13.01 H new ATOM 0 HA VAL A 54 6.751 -1.265 2.657 1.00 75.41 H new ATOM 0 HB VAL A 54 6.133 -1.769 4.940 1.00 2.41 H new ATOM 0 HG11 VAL A 54 3.792 -1.866 5.700 1.00 41.03 H new ATOM 0 HG12 VAL A 54 4.273 -0.222 5.216 1.00 41.03 H new ATOM 0 HG13 VAL A 54 3.264 -1.209 4.132 1.00 41.03 H new ATOM 0 HG21 VAL A 54 4.817 -3.839 4.640 1.00 34.24 H new ATOM 0 HG22 VAL A 54 4.354 -3.298 3.009 1.00 34.24 H new ATOM 0 HG23 VAL A 54 6.059 -3.648 3.380 1.00 34.24 H new ATOM 922 N VAL A 55 5.281 -1.613 0.710 1.00 44.34 N ATOM 923 CA VAL A 55 4.466 -1.834 -0.486 1.00 11.15 C ATOM 924 C VAL A 55 4.146 -3.327 -0.671 1.00 23.22 C ATOM 925 O VAL A 55 5.015 -4.124 -1.031 1.00 31.10 O ATOM 926 CB VAL A 55 5.179 -1.304 -1.758 1.00 65.32 C ATOM 927 CG1 VAL A 55 4.302 -1.490 -2.996 1.00 71.23 C ATOM 928 CG2 VAL A 55 5.578 0.162 -1.587 1.00 33.45 C ATOM 0 H VAL A 55 6.255 -1.900 0.609 1.00 44.34 H new ATOM 0 HA VAL A 55 3.536 -1.284 -0.344 1.00 11.15 H new ATOM 0 HB VAL A 55 6.088 -1.888 -1.901 1.00 65.32 H new ATOM 0 HG11 VAL A 55 4.826 -1.110 -3.873 1.00 71.23 H new ATOM 0 HG12 VAL A 55 4.086 -2.550 -3.133 1.00 71.23 H new ATOM 0 HG13 VAL A 55 3.368 -0.943 -2.866 1.00 71.23 H new ATOM 0 HG21 VAL A 55 6.076 0.511 -2.491 1.00 33.45 H new ATOM 0 HG22 VAL A 55 4.687 0.763 -1.408 1.00 33.45 H new ATOM 0 HG23 VAL A 55 6.256 0.258 -0.739 1.00 33.45 H new ATOM 938 N VAL A 56 2.900 -3.703 -0.411 1.00 0.24 N ATOM 939 CA VAL A 56 2.459 -5.088 -0.578 1.00 4.35 C ATOM 940 C VAL A 56 2.059 -5.363 -2.035 1.00 70.34 C ATOM 941 O VAL A 56 1.049 -4.849 -2.522 1.00 40.43 O ATOM 942 CB VAL A 56 1.262 -5.413 0.351 1.00 24.32 C ATOM 943 CG1 VAL A 56 0.873 -6.887 0.241 1.00 33.12 C ATOM 944 CG2 VAL A 56 1.583 -5.043 1.799 1.00 24.13 C ATOM 0 H VAL A 56 2.173 -3.068 -0.082 1.00 0.24 H new ATOM 0 HA VAL A 56 3.299 -5.728 -0.308 1.00 4.35 H new ATOM 0 HB VAL A 56 0.411 -4.814 0.028 1.00 24.32 H new ATOM 0 HG11 VAL A 56 0.031 -7.091 0.902 1.00 33.12 H new ATOM 0 HG12 VAL A 56 0.590 -7.113 -0.787 1.00 33.12 H new ATOM 0 HG13 VAL A 56 1.720 -7.509 0.530 1.00 33.12 H new ATOM 0 HG21 VAL A 56 0.729 -5.280 2.433 1.00 24.13 H new ATOM 0 HG22 VAL A 56 2.452 -5.609 2.135 1.00 24.13 H new ATOM 0 HG23 VAL A 56 1.798 -3.976 1.863 1.00 24.13 H new ATOM 954 N VAL A 57 2.860 -6.163 -2.732 1.00 60.12 N ATOM 955 CA VAL A 57 2.568 -6.519 -4.123 1.00 12.05 C ATOM 956 C VAL A 57 1.685 -7.774 -4.184 1.00 23.53 C ATOM 957 O VAL A 57 2.087 -8.856 -3.745 1.00 65.30 O ATOM 958 CB VAL A 57 3.867 -6.754 -4.934 1.00 42.43 C ATOM 959 CG1 VAL A 57 3.552 -7.024 -6.407 1.00 14.40 C ATOM 960 CG2 VAL A 57 4.813 -5.562 -4.789 1.00 0.31 C ATOM 0 H VAL A 57 3.715 -6.578 -2.361 1.00 60.12 H new ATOM 0 HA VAL A 57 2.033 -5.680 -4.569 1.00 12.05 H new ATOM 0 HB VAL A 57 4.364 -7.637 -4.532 1.00 42.43 H new ATOM 0 HG11 VAL A 57 4.481 -7.186 -6.954 1.00 14.40 H new ATOM 0 HG12 VAL A 57 2.924 -7.911 -6.488 1.00 14.40 H new ATOM 0 HG13 VAL A 57 3.026 -6.168 -6.830 1.00 14.40 H new ATOM 0 HG21 VAL A 57 5.720 -5.745 -5.365 1.00 0.31 H new ATOM 0 HG22 VAL A 57 4.323 -4.662 -5.159 1.00 0.31 H new ATOM 0 HG23 VAL A 57 5.072 -5.428 -3.739 1.00 0.31 H new ATOM 970 N VAL A 58 0.479 -7.623 -4.724 1.00 15.24 N ATOM 971 CA VAL A 58 -0.506 -8.705 -4.723 1.00 62.30 C ATOM 972 C VAL A 58 -0.864 -9.181 -6.140 1.00 74.33 C ATOM 973 O VAL A 58 -0.896 -8.399 -7.092 1.00 41.13 O ATOM 974 CB VAL A 58 -1.797 -8.278 -3.977 1.00 65.11 C ATOM 975 CG1 VAL A 58 -1.480 -7.913 -2.528 1.00 65.35 C ATOM 976 CG2 VAL A 58 -2.482 -7.114 -4.688 1.00 33.04 C ATOM 0 H VAL A 58 0.158 -6.763 -5.168 1.00 15.24 H new ATOM 0 HA VAL A 58 -0.041 -9.541 -4.200 1.00 62.30 H new ATOM 0 HB VAL A 58 -2.485 -9.123 -3.979 1.00 65.11 H new ATOM 0 HG11 VAL A 58 -2.397 -7.616 -2.019 1.00 65.35 H new ATOM 0 HG12 VAL A 58 -1.047 -8.776 -2.022 1.00 65.35 H new ATOM 0 HG13 VAL A 58 -0.770 -7.087 -2.508 1.00 65.35 H new ATOM 0 HG21 VAL A 58 -3.384 -6.835 -4.144 1.00 33.04 H new ATOM 0 HG22 VAL A 58 -1.804 -6.262 -4.727 1.00 33.04 H new ATOM 0 HG23 VAL A 58 -2.748 -7.413 -5.702 1.00 33.04 H new ATOM 986 N ASP A 59 -1.127 -10.479 -6.264 1.00 44.22 N ATOM 987 CA ASP A 59 -1.528 -11.089 -7.534 1.00 22.32 C ATOM 988 C ASP A 59 -3.055 -11.277 -7.617 1.00 11.54 C ATOM 989 O ASP A 59 -3.633 -11.265 -8.708 1.00 1.41 O ATOM 990 CB ASP A 59 -0.795 -12.429 -7.736 1.00 62.13 C ATOM 991 CG ASP A 59 -0.844 -13.356 -6.525 1.00 43.13 C ATOM 992 OD1 ASP A 59 -1.380 -12.966 -5.470 1.00 31.33 O ATOM 993 OD2 ASP A 59 -0.321 -14.488 -6.618 1.00 24.45 O ATOM 0 H ASP A 59 -1.069 -11.140 -5.489 1.00 44.22 H new ATOM 0 HA ASP A 59 -1.243 -10.411 -8.338 1.00 22.32 H new ATOM 0 HB2 ASP A 59 -1.231 -12.944 -8.592 1.00 62.13 H new ATOM 0 HB3 ASP A 59 0.247 -12.227 -7.983 1.00 62.13 H new ATOM 998 N ASP A 60 -3.706 -11.466 -6.464 1.00 25.22 N ATOM 999 CA ASP A 60 -5.175 -11.522 -6.406 1.00 61.04 C ATOM 1000 C ASP A 60 -5.732 -10.726 -5.207 1.00 4.33 C ATOM 1001 O ASP A 60 -4.996 -10.345 -4.293 1.00 20.20 O ATOM 1002 CB ASP A 60 -5.668 -12.976 -6.361 1.00 54.33 C ATOM 1003 CG ASP A 60 -5.359 -13.681 -5.052 1.00 41.40 C ATOM 1004 OD1 ASP A 60 -6.186 -13.602 -4.121 1.00 54.14 O ATOM 1005 OD2 ASP A 60 -4.309 -14.342 -4.956 1.00 34.33 O ATOM 0 H ASP A 60 -3.244 -11.582 -5.562 1.00 25.22 H new ATOM 0 HA ASP A 60 -5.551 -11.056 -7.317 1.00 61.04 H new ATOM 0 HB2 ASP A 60 -6.745 -12.991 -6.527 1.00 54.33 H new ATOM 0 HB3 ASP A 60 -5.211 -13.531 -7.180 1.00 54.33 H new ATOM 1010 N LYS A 61 -7.046 -10.496 -5.213 1.00 33.22 N ATOM 1011 CA LYS A 61 -7.699 -9.664 -4.191 1.00 11.31 C ATOM 1012 C LYS A 61 -7.737 -10.325 -2.799 1.00 13.33 C ATOM 1013 O LYS A 61 -7.795 -9.629 -1.788 1.00 32.00 O ATOM 1014 CB LYS A 61 -9.112 -9.253 -4.658 1.00 50.25 C ATOM 1015 CG LYS A 61 -9.971 -10.393 -5.223 1.00 22.24 C ATOM 1016 CD LYS A 61 -10.608 -11.260 -4.135 1.00 74.21 C ATOM 1017 CE LYS A 61 -11.597 -10.475 -3.277 1.00 51.13 C ATOM 1018 NZ LYS A 61 -12.293 -11.344 -2.290 1.00 73.41 N ATOM 0 H LYS A 61 -7.683 -10.873 -5.914 1.00 33.22 H new ATOM 0 HA LYS A 61 -7.089 -8.768 -4.075 1.00 11.31 H new ATOM 0 HB2 LYS A 61 -9.640 -8.805 -3.816 1.00 50.25 H new ATOM 0 HB3 LYS A 61 -9.015 -8.480 -5.421 1.00 50.25 H new ATOM 0 HG2 LYS A 61 -10.757 -9.972 -5.850 1.00 22.24 H new ATOM 0 HG3 LYS A 61 -9.354 -11.021 -5.865 1.00 22.24 H new ATOM 0 HD2 LYS A 61 -11.121 -12.103 -4.598 1.00 74.21 H new ATOM 0 HD3 LYS A 61 -9.826 -11.674 -3.498 1.00 74.21 H new ATOM 0 HE2 LYS A 61 -11.069 -9.680 -2.751 1.00 51.13 H new ATOM 0 HE3 LYS A 61 -12.334 -9.996 -3.921 1.00 51.13 H new ATOM 0 HZ1 LYS A 61 -13.300 -11.088 -2.252 1.00 73.41 H new ATOM 0 HZ2 LYS A 61 -12.199 -12.339 -2.577 1.00 73.41 H new ATOM 0 HZ3 LYS A 61 -11.867 -11.213 -1.350 1.00 73.41 H new ATOM 1032 N GLU A 62 -7.690 -11.655 -2.739 1.00 1.00 N ATOM 1033 CA GLU A 62 -7.706 -12.361 -1.446 1.00 3.05 C ATOM 1034 C GLU A 62 -6.331 -12.321 -0.771 1.00 25.23 C ATOM 1035 O GLU A 62 -6.233 -12.214 0.452 1.00 4.10 O ATOM 1036 CB GLU A 62 -8.179 -13.808 -1.610 1.00 1.02 C ATOM 1037 CG GLU A 62 -9.640 -13.926 -2.029 1.00 55.11 C ATOM 1038 CD GLU A 62 -10.146 -15.355 -1.994 1.00 65.44 C ATOM 1039 OE1 GLU A 62 -10.564 -15.812 -0.909 1.00 61.41 O ATOM 1040 OE2 GLU A 62 -10.128 -16.022 -3.046 1.00 71.10 O ATOM 0 H GLU A 62 -7.641 -12.264 -3.556 1.00 1.00 H new ATOM 0 HA GLU A 62 -8.415 -11.841 -0.802 1.00 3.05 H new ATOM 0 HB2 GLU A 62 -7.555 -14.304 -2.353 1.00 1.02 H new ATOM 0 HB3 GLU A 62 -8.035 -14.338 -0.668 1.00 1.02 H new ATOM 0 HG2 GLU A 62 -10.253 -13.312 -1.370 1.00 55.11 H new ATOM 0 HG3 GLU A 62 -9.758 -13.528 -3.037 1.00 55.11 H new ATOM 1047 N TRP A 63 -5.269 -12.414 -1.568 1.00 11.45 N ATOM 1048 CA TRP A 63 -3.912 -12.186 -1.062 1.00 63.34 C ATOM 1049 C TRP A 63 -3.792 -10.750 -0.525 1.00 65.41 C ATOM 1050 O TRP A 63 -3.161 -10.504 0.507 1.00 71.43 O ATOM 1051 CB TRP A 63 -2.870 -12.469 -2.162 1.00 42.44 C ATOM 1052 CG TRP A 63 -1.476 -11.993 -1.847 1.00 31.15 C ATOM 1053 CD1 TRP A 63 -0.642 -11.332 -2.697 1.00 42.24 C ATOM 1054 CD2 TRP A 63 -0.756 -12.127 -0.610 1.00 41.20 C ATOM 1055 NE1 TRP A 63 0.543 -11.038 -2.076 1.00 4.31 N ATOM 1056 CE2 TRP A 63 0.502 -11.517 -0.794 1.00 14.52 C ATOM 1057 CE3 TRP A 63 -1.046 -12.703 0.631 1.00 33.14 C ATOM 1058 CZ2 TRP A 63 1.457 -11.457 0.217 1.00 34.14 C ATOM 1059 CZ3 TRP A 63 -0.097 -12.643 1.632 1.00 31.22 C ATOM 1060 CH2 TRP A 63 1.141 -12.025 1.420 1.00 75.24 C ATOM 0 H TRP A 63 -5.318 -12.644 -2.561 1.00 11.45 H new ATOM 0 HA TRP A 63 -3.713 -12.874 -0.241 1.00 63.34 H new ATOM 0 HB2 TRP A 63 -2.839 -13.543 -2.347 1.00 42.44 H new ATOM 0 HB3 TRP A 63 -3.200 -11.996 -3.087 1.00 42.44 H new ATOM 0 HD1 TRP A 63 -0.882 -11.075 -3.718 1.00 42.24 H new ATOM 0 HE1 TRP A 63 1.328 -10.543 -2.500 1.00 4.31 H new ATOM 0 HE3 TRP A 63 -1.996 -13.187 0.803 1.00 33.14 H new ATOM 0 HZ2 TRP A 63 2.412 -10.979 0.057 1.00 34.14 H new ATOM 0 HZ3 TRP A 63 -0.314 -13.080 2.595 1.00 31.22 H new ATOM 0 HH2 TRP A 63 1.862 -11.996 2.224 1.00 75.24 H new ATOM 1071 N ALA A 64 -4.431 -9.809 -1.217 1.00 42.01 N ATOM 1072 CA ALA A 64 -4.552 -8.437 -0.719 1.00 51.12 C ATOM 1073 C ALA A 64 -5.305 -8.402 0.623 1.00 3.01 C ATOM 1074 O ALA A 64 -4.909 -7.692 1.552 1.00 31.41 O ATOM 1075 CB ALA A 64 -5.251 -7.563 -1.755 1.00 71.32 C ATOM 0 H ALA A 64 -4.873 -9.969 -2.122 1.00 42.01 H new ATOM 0 HA ALA A 64 -3.550 -8.042 -0.548 1.00 51.12 H new ATOM 0 HB1 ALA A 64 -5.336 -6.545 -1.375 1.00 71.32 H new ATOM 0 HB2 ALA A 64 -4.671 -7.558 -2.678 1.00 71.32 H new ATOM 0 HB3 ALA A 64 -6.246 -7.960 -1.954 1.00 71.32 H new ATOM 1081 N GLU A 65 -6.390 -9.180 0.721 1.00 71.51 N ATOM 1082 CA GLU A 65 -7.132 -9.322 1.981 1.00 1.10 C ATOM 1083 C GLU A 65 -6.222 -9.815 3.115 1.00 22.52 C ATOM 1084 O GLU A 65 -6.213 -9.240 4.199 1.00 51.33 O ATOM 1085 CB GLU A 65 -8.307 -10.299 1.830 1.00 13.44 C ATOM 1086 CG GLU A 65 -9.431 -9.806 0.931 1.00 74.54 C ATOM 1087 CD GLU A 65 -10.623 -10.747 0.946 1.00 35.22 C ATOM 1088 OE1 GLU A 65 -11.319 -10.803 1.979 1.00 44.02 O ATOM 1089 OE2 GLU A 65 -10.864 -11.445 -0.063 1.00 53.11 O ATOM 0 H GLU A 65 -6.773 -9.720 -0.055 1.00 71.51 H new ATOM 0 HA GLU A 65 -7.514 -8.332 2.231 1.00 1.10 H new ATOM 0 HB2 GLU A 65 -7.930 -11.242 1.433 1.00 13.44 H new ATOM 0 HB3 GLU A 65 -8.716 -10.510 2.818 1.00 13.44 H new ATOM 0 HG2 GLU A 65 -9.747 -8.815 1.256 1.00 74.54 H new ATOM 0 HG3 GLU A 65 -9.062 -9.704 -0.089 1.00 74.54 H new ATOM 1096 N LYS A 66 -5.467 -10.888 2.851 1.00 31.35 N ATOM 1097 CA LYS A 66 -4.542 -11.479 3.837 1.00 33.30 C ATOM 1098 C LYS A 66 -3.688 -10.403 4.529 1.00 34.04 C ATOM 1099 O LYS A 66 -3.526 -10.413 5.752 1.00 74.52 O ATOM 1100 CB LYS A 66 -3.627 -12.505 3.145 1.00 51.54 C ATOM 1101 CG LYS A 66 -4.361 -13.723 2.579 1.00 44.41 C ATOM 1102 CD LYS A 66 -4.715 -14.750 3.657 1.00 54.44 C ATOM 1103 CE LYS A 66 -3.467 -15.415 4.241 1.00 72.13 C ATOM 1104 NZ LYS A 66 -3.800 -16.520 5.181 1.00 70.23 N ATOM 0 H LYS A 66 -5.477 -11.372 1.953 1.00 31.35 H new ATOM 0 HA LYS A 66 -5.140 -11.975 4.601 1.00 33.30 H new ATOM 0 HB2 LYS A 66 -3.092 -12.009 2.335 1.00 51.54 H new ATOM 0 HB3 LYS A 66 -2.878 -12.846 3.860 1.00 51.54 H new ATOM 0 HG2 LYS A 66 -5.274 -13.394 2.082 1.00 44.41 H new ATOM 0 HG3 LYS A 66 -3.738 -14.198 1.821 1.00 44.41 H new ATOM 0 HD2 LYS A 66 -5.273 -14.261 4.455 1.00 54.44 H new ATOM 0 HD3 LYS A 66 -5.368 -15.512 3.232 1.00 54.44 H new ATOM 0 HE2 LYS A 66 -2.853 -15.805 3.429 1.00 72.13 H new ATOM 0 HE3 LYS A 66 -2.870 -14.666 4.762 1.00 72.13 H new ATOM 0 HZ1 LYS A 66 -2.922 -16.939 5.550 1.00 70.23 H new ATOM 0 HZ2 LYS A 66 -4.364 -16.146 5.971 1.00 70.23 H new ATOM 0 HZ3 LYS A 66 -4.347 -17.249 4.680 1.00 70.23 H new ATOM 1118 N ALA A 67 -3.161 -9.472 3.736 1.00 32.00 N ATOM 1119 CA ALA A 67 -2.367 -8.360 4.266 1.00 21.42 C ATOM 1120 C ALA A 67 -3.213 -7.436 5.158 1.00 33.41 C ATOM 1121 O ALA A 67 -2.845 -7.144 6.298 1.00 32.03 O ATOM 1122 CB ALA A 67 -1.744 -7.568 3.121 1.00 14.24 C ATOM 0 H ALA A 67 -3.269 -9.464 2.722 1.00 32.00 H new ATOM 0 HA ALA A 67 -1.573 -8.780 4.884 1.00 21.42 H new ATOM 0 HB1 ALA A 67 -1.156 -6.744 3.526 1.00 14.24 H new ATOM 0 HB2 ALA A 67 -1.097 -8.222 2.536 1.00 14.24 H new ATOM 0 HB3 ALA A 67 -2.533 -7.171 2.482 1.00 14.24 H new ATOM 1128 N ILE A 68 -4.357 -6.994 4.637 1.00 61.12 N ATOM 1129 CA ILE A 68 -5.252 -6.091 5.376 1.00 44.13 C ATOM 1130 C ILE A 68 -5.800 -6.755 6.655 1.00 5.02 C ATOM 1131 O ILE A 68 -6.077 -6.084 7.650 1.00 32.23 O ATOM 1132 CB ILE A 68 -6.436 -5.623 4.485 1.00 3.32 C ATOM 1133 CG1 ILE A 68 -5.915 -5.019 3.168 1.00 55.12 C ATOM 1134 CG2 ILE A 68 -7.313 -4.609 5.223 1.00 22.41 C ATOM 1135 CD1 ILE A 68 -5.017 -3.810 3.352 1.00 30.15 C ATOM 0 H ILE A 68 -4.690 -7.244 3.706 1.00 61.12 H new ATOM 0 HA ILE A 68 -4.658 -5.223 5.663 1.00 44.13 H new ATOM 0 HB ILE A 68 -7.046 -6.496 4.253 1.00 3.32 H new ATOM 0 HG12 ILE A 68 -5.366 -5.786 2.622 1.00 55.12 H new ATOM 0 HG13 ILE A 68 -6.766 -4.735 2.550 1.00 55.12 H new ATOM 0 HG21 ILE A 68 -8.134 -4.299 4.576 1.00 22.41 H new ATOM 0 HG22 ILE A 68 -7.716 -5.066 6.127 1.00 22.41 H new ATOM 0 HG23 ILE A 68 -6.715 -3.739 5.493 1.00 22.41 H new ATOM 0 HD11 ILE A 68 -4.693 -3.445 2.377 1.00 30.15 H new ATOM 0 HD12 ILE A 68 -5.567 -3.024 3.869 1.00 30.15 H new ATOM 0 HD13 ILE A 68 -4.145 -4.091 3.942 1.00 30.15 H new ATOM 1147 N ARG A 69 -5.940 -8.080 6.626 1.00 13.52 N ATOM 1148 CA ARG A 69 -6.406 -8.843 7.790 1.00 2.04 C ATOM 1149 C ARG A 69 -5.347 -8.843 8.904 1.00 21.51 C ATOM 1150 O ARG A 69 -5.681 -8.876 10.092 1.00 51.44 O ATOM 1151 CB ARG A 69 -6.755 -10.286 7.386 1.00 32.22 C ATOM 1152 CG ARG A 69 -7.915 -10.390 6.393 1.00 14.24 C ATOM 1153 CD ARG A 69 -8.166 -11.830 5.951 1.00 1.42 C ATOM 1154 NE ARG A 69 -9.187 -11.910 4.904 1.00 70.22 N ATOM 1155 CZ ARG A 69 -9.485 -13.001 4.245 1.00 23.40 C ATOM 1156 NH1 ARG A 69 -8.889 -14.118 4.512 1.00 50.41 N ATOM 1157 NH2 ARG A 69 -10.384 -12.972 3.317 1.00 31.02 N ATOM 0 H ARG A 69 -5.737 -8.652 5.806 1.00 13.52 H new ATOM 0 HA ARG A 69 -7.306 -8.361 8.172 1.00 2.04 H new ATOM 0 HB2 ARG A 69 -5.873 -10.754 6.949 1.00 32.22 H new ATOM 0 HB3 ARG A 69 -7.005 -10.853 8.283 1.00 32.22 H new ATOM 0 HG2 ARG A 69 -8.820 -9.989 6.850 1.00 14.24 H new ATOM 0 HG3 ARG A 69 -7.700 -9.775 5.519 1.00 14.24 H new ATOM 0 HD2 ARG A 69 -7.236 -12.265 5.585 1.00 1.42 H new ATOM 0 HD3 ARG A 69 -8.479 -12.424 6.810 1.00 1.42 H new ATOM 0 HE ARG A 69 -9.700 -11.059 4.673 1.00 70.22 H new ATOM 0 HH11 ARG A 69 -8.178 -14.155 5.243 1.00 50.41 H new ATOM 0 HH12 ARG A 69 -9.130 -14.962 3.992 1.00 50.41 H new ATOM 0 HH21 ARG A 69 -10.862 -12.098 3.097 1.00 31.02 H new ATOM 0 HH22 ARG A 69 -10.615 -13.823 2.804 1.00 31.02 H new ATOM 1171 N PHE A 70 -4.073 -8.807 8.514 1.00 44.11 N ATOM 1172 CA PHE A 70 -2.977 -8.679 9.478 1.00 45.33 C ATOM 1173 C PHE A 70 -2.897 -7.243 10.018 1.00 4.04 C ATOM 1174 O PHE A 70 -2.803 -7.027 11.227 1.00 11.20 O ATOM 1175 CB PHE A 70 -1.637 -9.075 8.841 1.00 3.12 C ATOM 1176 CG PHE A 70 -0.466 -8.952 9.788 1.00 71.33 C ATOM 1177 CD1 PHE A 70 -0.215 -9.935 10.735 1.00 44.14 C ATOM 1178 CD2 PHE A 70 0.375 -7.846 9.742 1.00 14.21 C ATOM 1179 CE1 PHE A 70 0.846 -9.819 11.613 1.00 33.21 C ATOM 1180 CE2 PHE A 70 1.437 -7.728 10.617 1.00 41.22 C ATOM 1181 CZ PHE A 70 1.672 -8.714 11.554 1.00 50.41 C ATOM 0 H PHE A 70 -3.774 -8.864 7.541 1.00 44.11 H new ATOM 0 HA PHE A 70 -3.180 -9.357 10.307 1.00 45.33 H new ATOM 0 HB2 PHE A 70 -1.701 -10.103 8.485 1.00 3.12 H new ATOM 0 HB3 PHE A 70 -1.457 -8.447 7.969 1.00 3.12 H new ATOM 0 HD1 PHE A 70 -0.857 -10.802 10.787 1.00 44.14 H new ATOM 0 HD2 PHE A 70 0.196 -7.070 9.013 1.00 14.21 H new ATOM 0 HE1 PHE A 70 1.029 -10.592 12.345 1.00 33.21 H new ATOM 0 HE2 PHE A 70 2.084 -6.864 10.568 1.00 41.22 H new ATOM 0 HZ PHE A 70 2.501 -8.621 12.240 1.00 50.41 H new ATOM 1191 N VAL A 71 -2.942 -6.263 9.113 1.00 63.42 N ATOM 1192 CA VAL A 71 -2.926 -4.847 9.503 1.00 73.33 C ATOM 1193 C VAL A 71 -4.091 -4.526 10.461 1.00 21.24 C ATOM 1194 O VAL A 71 -3.934 -3.770 11.423 1.00 23.01 O ATOM 1195 CB VAL A 71 -2.998 -3.914 8.265 1.00 71.22 C ATOM 1196 CG1 VAL A 71 -2.916 -2.444 8.680 1.00 51.51 C ATOM 1197 CG2 VAL A 71 -1.893 -4.254 7.264 1.00 24.01 C ATOM 0 H VAL A 71 -2.990 -6.421 8.106 1.00 63.42 H new ATOM 0 HA VAL A 71 -1.982 -4.667 10.017 1.00 73.33 H new ATOM 0 HB VAL A 71 -3.961 -4.075 7.780 1.00 71.22 H new ATOM 0 HG11 VAL A 71 -2.969 -1.812 7.793 1.00 51.51 H new ATOM 0 HG12 VAL A 71 -3.747 -2.207 9.345 1.00 51.51 H new ATOM 0 HG13 VAL A 71 -1.974 -2.264 9.198 1.00 51.51 H new ATOM 0 HG21 VAL A 71 -1.963 -3.587 6.404 1.00 24.01 H new ATOM 0 HG22 VAL A 71 -0.920 -4.131 7.740 1.00 24.01 H new ATOM 0 HG23 VAL A 71 -2.007 -5.286 6.933 1.00 24.01 H new ATOM 1207 N LYS A 72 -5.254 -5.126 10.197 1.00 30.04 N ATOM 1208 CA LYS A 72 -6.417 -5.010 11.086 1.00 62.55 C ATOM 1209 C LYS A 72 -6.069 -5.452 12.520 1.00 1.24 C ATOM 1210 O LYS A 72 -6.560 -4.880 13.495 1.00 14.35 O ATOM 1211 CB LYS A 72 -7.587 -5.847 10.532 1.00 3.21 C ATOM 1212 CG LYS A 72 -8.801 -5.919 11.456 1.00 1.10 C ATOM 1213 CD LYS A 72 -9.370 -4.536 11.767 1.00 42.50 C ATOM 1214 CE LYS A 72 -10.462 -4.604 12.828 1.00 25.35 C ATOM 1215 NZ LYS A 72 -10.917 -3.252 13.245 1.00 13.53 N ATOM 0 H LYS A 72 -5.418 -5.701 9.370 1.00 30.04 H new ATOM 0 HA LYS A 72 -6.715 -3.962 11.125 1.00 62.55 H new ATOM 0 HB2 LYS A 72 -7.898 -5.427 9.575 1.00 3.21 H new ATOM 0 HB3 LYS A 72 -7.233 -6.859 10.336 1.00 3.21 H new ATOM 0 HG2 LYS A 72 -9.573 -6.532 10.992 1.00 1.10 H new ATOM 0 HG3 LYS A 72 -8.519 -6.412 12.386 1.00 1.10 H new ATOM 0 HD2 LYS A 72 -8.569 -3.881 12.110 1.00 42.50 H new ATOM 0 HD3 LYS A 72 -9.774 -4.095 10.856 1.00 42.50 H new ATOM 0 HE2 LYS A 72 -11.310 -5.168 12.440 1.00 25.35 H new ATOM 0 HE3 LYS A 72 -10.090 -5.146 13.698 1.00 25.35 H new ATOM 0 HZ1 LYS A 72 -11.660 -3.343 13.967 1.00 13.53 H new ATOM 0 HZ2 LYS A 72 -10.114 -2.722 13.639 1.00 13.53 H new ATOM 0 HZ3 LYS A 72 -11.296 -2.744 12.421 1.00 13.53 H new ATOM 1229 N SER A 73 -5.202 -6.460 12.634 1.00 1.02 N ATOM 1230 CA SER A 73 -4.765 -6.971 13.943 1.00 61.34 C ATOM 1231 C SER A 73 -3.848 -5.967 14.658 1.00 35.12 C ATOM 1232 O SER A 73 -3.739 -5.977 15.885 1.00 2.41 O ATOM 1233 CB SER A 73 -4.031 -8.312 13.774 1.00 22.35 C ATOM 1234 OG SER A 73 -3.650 -8.879 15.024 1.00 4.13 O ATOM 0 H SER A 73 -4.786 -6.942 11.837 1.00 1.02 H new ATOM 0 HA SER A 73 -5.655 -7.119 14.555 1.00 61.34 H new ATOM 0 HB2 SER A 73 -4.675 -9.012 13.241 1.00 22.35 H new ATOM 0 HB3 SER A 73 -3.143 -8.163 13.159 1.00 22.35 H new ATOM 0 HG SER A 73 -3.189 -9.730 14.870 1.00 4.13 H new ATOM 1240 N LEU A 74 -3.186 -5.105 13.884 1.00 5.44 N ATOM 1241 CA LEU A 74 -2.296 -4.080 14.446 1.00 3.33 C ATOM 1242 C LEU A 74 -3.098 -2.976 15.157 1.00 52.44 C ATOM 1243 O LEU A 74 -2.674 -2.451 16.187 1.00 15.42 O ATOM 1244 CB LEU A 74 -1.418 -3.474 13.342 1.00 70.15 C ATOM 1245 CG LEU A 74 -0.538 -4.480 12.576 1.00 33.50 C ATOM 1246 CD1 LEU A 74 0.259 -3.779 11.478 1.00 22.32 C ATOM 1247 CD2 LEU A 74 0.397 -5.223 13.531 1.00 13.22 C ATOM 0 H LEU A 74 -3.248 -5.094 12.866 1.00 5.44 H new ATOM 0 HA LEU A 74 -1.654 -4.559 15.185 1.00 3.33 H new ATOM 0 HB2 LEU A 74 -2.063 -2.962 12.627 1.00 70.15 H new ATOM 0 HB3 LEU A 74 -0.773 -2.717 13.788 1.00 70.15 H new ATOM 0 HG LEU A 74 -1.195 -5.212 12.105 1.00 33.50 H new ATOM 0 HD11 LEU A 74 0.873 -4.510 10.951 1.00 22.32 H new ATOM 0 HD12 LEU A 74 -0.427 -3.307 10.775 1.00 22.32 H new ATOM 0 HD13 LEU A 74 0.901 -3.019 11.923 1.00 22.32 H new ATOM 0 HD21 LEU A 74 1.008 -5.928 12.967 1.00 13.22 H new ATOM 0 HD22 LEU A 74 1.043 -4.507 14.038 1.00 13.22 H new ATOM 0 HD23 LEU A 74 -0.193 -5.765 14.270 1.00 13.22 H new ATOM 1259 N GLY A 75 -4.247 -2.613 14.588 1.00 24.00 N ATOM 1260 CA GLY A 75 -5.158 -1.676 15.249 1.00 41.42 C ATOM 1261 C GLY A 75 -4.869 -0.201 14.964 1.00 13.44 C ATOM 1262 O GLY A 75 -5.786 0.624 14.970 1.00 45.13 O ATOM 0 H GLY A 75 -4.568 -2.949 13.680 1.00 24.00 H new ATOM 0 HA2 GLY A 75 -6.178 -1.900 14.937 1.00 41.42 H new ATOM 0 HA3 GLY A 75 -5.110 -1.841 16.325 1.00 41.42 H new ATOM 1266 N ALA A 76 -3.605 0.138 14.718 1.00 31.40 N ATOM 1267 CA ALA A 76 -3.208 1.536 14.490 1.00 43.31 C ATOM 1268 C ALA A 76 -3.857 2.135 13.229 1.00 64.32 C ATOM 1269 O ALA A 76 -4.303 1.416 12.332 1.00 54.33 O ATOM 1270 CB ALA A 76 -1.690 1.650 14.398 1.00 72.51 C ATOM 0 H ALA A 76 -2.836 -0.530 14.670 1.00 31.40 H new ATOM 0 HA ALA A 76 -3.567 2.110 15.345 1.00 43.31 H new ATOM 0 HB1 ALA A 76 -1.413 2.691 14.229 1.00 72.51 H new ATOM 0 HB2 ALA A 76 -1.242 1.301 15.329 1.00 72.51 H new ATOM 0 HB3 ALA A 76 -1.329 1.039 13.570 1.00 72.51 H new ATOM 1276 N GLN A 77 -3.898 3.464 13.176 1.00 44.11 N ATOM 1277 CA GLN A 77 -4.463 4.190 12.033 1.00 50.22 C ATOM 1278 C GLN A 77 -3.390 4.474 10.966 1.00 4.51 C ATOM 1279 O GLN A 77 -2.420 5.193 11.213 1.00 70.24 O ATOM 1280 CB GLN A 77 -5.118 5.513 12.491 1.00 32.41 C ATOM 1281 CG GLN A 77 -4.180 6.476 13.236 1.00 45.22 C ATOM 1282 CD GLN A 77 -4.099 6.226 14.738 1.00 65.14 C ATOM 1283 OE1 GLN A 77 -4.250 5.105 15.211 1.00 73.13 O ATOM 1284 NE2 GLN A 77 -3.860 7.273 15.505 1.00 11.14 N ATOM 0 H GLN A 77 -3.544 4.068 13.917 1.00 44.11 H new ATOM 0 HA GLN A 77 -5.229 3.555 11.588 1.00 50.22 H new ATOM 0 HB2 GLN A 77 -5.520 6.024 11.616 1.00 32.41 H new ATOM 0 HB3 GLN A 77 -5.963 5.278 13.139 1.00 32.41 H new ATOM 0 HG2 GLN A 77 -3.180 6.395 12.810 1.00 45.22 H new ATOM 0 HG3 GLN A 77 -4.517 7.499 13.066 1.00 45.22 H new ATOM 0 HE21 GLN A 77 -3.738 8.195 15.086 1.00 11.14 H new ATOM 0 HE22 GLN A 77 -3.797 7.160 16.517 1.00 11.14 H new ATOM 1293 N VAL A 78 -3.560 3.892 9.781 1.00 21.11 N ATOM 1294 CA VAL A 78 -2.624 4.100 8.669 1.00 62.32 C ATOM 1295 C VAL A 78 -3.364 4.340 7.345 1.00 5.11 C ATOM 1296 O VAL A 78 -4.453 3.808 7.123 1.00 30.04 O ATOM 1297 CB VAL A 78 -1.656 2.894 8.495 1.00 14.42 C ATOM 1298 CG1 VAL A 78 -0.740 2.738 9.709 1.00 32.54 C ATOM 1299 CG2 VAL A 78 -2.434 1.602 8.237 1.00 74.14 C ATOM 0 H VAL A 78 -4.338 3.270 9.562 1.00 21.11 H new ATOM 0 HA VAL A 78 -2.044 4.987 8.922 1.00 62.32 H new ATOM 0 HB VAL A 78 -1.030 3.096 7.626 1.00 14.42 H new ATOM 0 HG11 VAL A 78 -0.076 1.887 9.557 1.00 32.54 H new ATOM 0 HG12 VAL A 78 -0.146 3.643 9.836 1.00 32.54 H new ATOM 0 HG13 VAL A 78 -1.344 2.572 10.601 1.00 32.54 H new ATOM 0 HG21 VAL A 78 -1.735 0.774 8.119 1.00 74.14 H new ATOM 0 HG22 VAL A 78 -3.095 1.401 9.080 1.00 74.14 H new ATOM 0 HG23 VAL A 78 -3.026 1.709 7.328 1.00 74.14 H new ATOM 1309 N LEU A 79 -2.768 5.152 6.475 1.00 2.34 N ATOM 1310 CA LEU A 79 -3.312 5.381 5.131 1.00 13.34 C ATOM 1311 C LEU A 79 -2.866 4.261 4.184 1.00 11.41 C ATOM 1312 O LEU A 79 -1.698 3.875 4.177 1.00 35.02 O ATOM 1313 CB LEU A 79 -2.859 6.749 4.576 1.00 31.01 C ATOM 1314 CG LEU A 79 -3.500 7.992 5.225 1.00 21.13 C ATOM 1315 CD1 LEU A 79 -5.017 7.970 5.062 1.00 3.30 C ATOM 1316 CD2 LEU A 79 -3.112 8.107 6.697 1.00 3.50 C ATOM 0 H LEU A 79 -1.908 5.664 6.673 1.00 2.34 H new ATOM 0 HA LEU A 79 -4.400 5.382 5.201 1.00 13.34 H new ATOM 0 HB2 LEU A 79 -1.777 6.823 4.688 1.00 31.01 H new ATOM 0 HB3 LEU A 79 -3.071 6.773 3.507 1.00 31.01 H new ATOM 0 HG LEU A 79 -3.117 8.873 4.709 1.00 21.13 H new ATOM 0 HD11 LEU A 79 -5.446 8.857 5.528 1.00 3.30 H new ATOM 0 HD12 LEU A 79 -5.269 7.959 4.002 1.00 3.30 H new ATOM 0 HD13 LEU A 79 -5.421 7.078 5.540 1.00 3.30 H new ATOM 0 HD21 LEU A 79 -3.579 8.993 7.128 1.00 3.50 H new ATOM 0 HD22 LEU A 79 -3.451 7.221 7.233 1.00 3.50 H new ATOM 0 HD23 LEU A 79 -2.029 8.190 6.782 1.00 3.50 H new ATOM 1328 N ILE A 80 -3.796 3.727 3.399 1.00 22.34 N ATOM 1329 CA ILE A 80 -3.483 2.629 2.479 1.00 54.11 C ATOM 1330 C ILE A 80 -3.790 3.005 1.021 1.00 24.02 C ATOM 1331 O ILE A 80 -4.948 3.158 0.637 1.00 51.21 O ATOM 1332 CB ILE A 80 -4.253 1.336 2.864 1.00 70.21 C ATOM 1333 CG1 ILE A 80 -3.893 0.908 4.302 1.00 32.32 C ATOM 1334 CG2 ILE A 80 -3.949 0.212 1.870 1.00 31.02 C ATOM 1335 CD1 ILE A 80 -4.582 -0.362 4.760 1.00 34.11 C ATOM 0 H ILE A 80 -4.769 4.032 3.378 1.00 22.34 H new ATOM 0 HA ILE A 80 -2.413 2.439 2.566 1.00 54.11 H new ATOM 0 HB ILE A 80 -5.322 1.543 2.824 1.00 70.21 H new ATOM 0 HG12 ILE A 80 -2.814 0.768 4.369 1.00 32.32 H new ATOM 0 HG13 ILE A 80 -4.152 1.716 4.986 1.00 32.32 H new ATOM 0 HG21 ILE A 80 -4.497 -0.685 2.157 1.00 31.02 H new ATOM 0 HG22 ILE A 80 -4.253 0.519 0.869 1.00 31.02 H new ATOM 0 HG23 ILE A 80 -2.880 0.001 1.875 1.00 31.02 H new ATOM 0 HD11 ILE A 80 -4.276 -0.594 5.780 1.00 34.11 H new ATOM 0 HD12 ILE A 80 -5.662 -0.222 4.728 1.00 34.11 H new ATOM 0 HD13 ILE A 80 -4.304 -1.185 4.101 1.00 34.11 H new ATOM 1347 N ILE A 81 -2.742 3.170 0.215 1.00 51.15 N ATOM 1348 CA ILE A 81 -2.897 3.471 -1.211 1.00 73.41 C ATOM 1349 C ILE A 81 -2.922 2.178 -2.036 1.00 63.30 C ATOM 1350 O ILE A 81 -1.988 1.381 -1.984 1.00 14.21 O ATOM 1351 CB ILE A 81 -1.755 4.379 -1.728 1.00 33.42 C ATOM 1352 CG1 ILE A 81 -1.690 5.685 -0.916 1.00 33.24 C ATOM 1353 CG2 ILE A 81 -1.940 4.675 -3.219 1.00 5.23 C ATOM 1354 CD1 ILE A 81 -0.583 6.624 -1.356 1.00 71.32 C ATOM 0 H ILE A 81 -1.773 3.100 0.525 1.00 51.15 H new ATOM 0 HA ILE A 81 -3.843 3.999 -1.327 1.00 73.41 H new ATOM 0 HB ILE A 81 -0.810 3.852 -1.598 1.00 33.42 H new ATOM 0 HG12 ILE A 81 -2.646 6.201 -0.999 1.00 33.24 H new ATOM 0 HG13 ILE A 81 -1.550 5.441 0.137 1.00 33.24 H new ATOM 0 HG21 ILE A 81 -1.129 5.315 -3.566 1.00 5.23 H new ATOM 0 HG22 ILE A 81 -1.931 3.740 -3.779 1.00 5.23 H new ATOM 0 HG23 ILE A 81 -2.893 5.181 -3.374 1.00 5.23 H new ATOM 0 HD11 ILE A 81 -0.600 7.522 -0.738 1.00 71.32 H new ATOM 0 HD12 ILE A 81 0.381 6.127 -1.247 1.00 71.32 H new ATOM 0 HD13 ILE A 81 -0.733 6.899 -2.400 1.00 71.32 H new ATOM 1366 N ILE A 82 -3.992 1.971 -2.797 1.00 65.13 N ATOM 1367 CA ILE A 82 -4.152 0.745 -3.587 1.00 2.02 C ATOM 1368 C ILE A 82 -4.232 1.047 -5.094 1.00 73.22 C ATOM 1369 O ILE A 82 -4.876 2.010 -5.516 1.00 1.00 O ATOM 1370 CB ILE A 82 -5.415 -0.043 -3.146 1.00 33.13 C ATOM 1371 CG1 ILE A 82 -5.374 -0.321 -1.632 1.00 42.54 C ATOM 1372 CG2 ILE A 82 -5.532 -1.351 -3.925 1.00 53.22 C ATOM 1373 CD1 ILE A 82 -6.577 -1.083 -1.114 1.00 33.11 C ATOM 0 H ILE A 82 -4.763 2.633 -2.886 1.00 65.13 H new ATOM 0 HA ILE A 82 -3.269 0.133 -3.404 1.00 2.02 H new ATOM 0 HB ILE A 82 -6.293 0.566 -3.363 1.00 33.13 H new ATOM 0 HG12 ILE A 82 -4.471 -0.886 -1.401 1.00 42.54 H new ATOM 0 HG13 ILE A 82 -5.301 0.628 -1.100 1.00 42.54 H new ATOM 0 HG21 ILE A 82 -6.423 -1.889 -3.602 1.00 53.22 H new ATOM 0 HG22 ILE A 82 -5.606 -1.134 -4.991 1.00 53.22 H new ATOM 0 HG23 ILE A 82 -4.651 -1.965 -3.740 1.00 53.22 H new ATOM 0 HD11 ILE A 82 -6.474 -1.240 -0.040 1.00 33.11 H new ATOM 0 HD12 ILE A 82 -7.483 -0.510 -1.312 1.00 33.11 H new ATOM 0 HD13 ILE A 82 -6.641 -2.048 -1.617 1.00 33.11 H new ATOM 1385 N TYR A 83 -3.571 0.214 -5.899 1.00 12.50 N ATOM 1386 CA TYR A 83 -3.533 0.397 -7.358 1.00 21.34 C ATOM 1387 C TYR A 83 -4.070 -0.837 -8.103 1.00 24.41 C ATOM 1388 O TYR A 83 -3.573 -1.951 -7.920 1.00 72.40 O ATOM 1389 CB TYR A 83 -2.093 0.686 -7.810 1.00 73.50 C ATOM 1390 CG TYR A 83 -1.933 0.877 -9.313 1.00 5.11 C ATOM 1391 CD1 TYR A 83 -1.716 -0.210 -10.156 1.00 20.13 C ATOM 1392 CD2 TYR A 83 -1.999 2.142 -9.888 1.00 30.44 C ATOM 1393 CE1 TYR A 83 -1.568 -0.038 -11.519 1.00 73.21 C ATOM 1394 CE2 TYR A 83 -1.851 2.318 -11.249 1.00 71.33 C ATOM 1395 CZ TYR A 83 -1.637 1.225 -12.060 1.00 12.14 C ATOM 1396 OH TYR A 83 -1.490 1.393 -13.418 1.00 61.42 O ATOM 0 H TYR A 83 -3.051 -0.599 -5.567 1.00 12.50 H new ATOM 0 HA TYR A 83 -4.176 1.242 -7.602 1.00 21.34 H new ATOM 0 HB2 TYR A 83 -1.738 1.583 -7.302 1.00 73.50 H new ATOM 0 HB3 TYR A 83 -1.453 -0.136 -7.490 1.00 73.50 H new ATOM 0 HD1 TYR A 83 -1.662 -1.204 -9.737 1.00 20.13 H new ATOM 0 HD2 TYR A 83 -2.169 3.002 -9.258 1.00 30.44 H new ATOM 0 HE1 TYR A 83 -1.399 -0.892 -12.158 1.00 73.21 H new ATOM 0 HE2 TYR A 83 -1.903 3.308 -11.676 1.00 71.33 H new ATOM 0 HH TYR A 83 -1.566 2.345 -13.640 1.00 61.42 H new ATOM 1406 N ASP A 84 -5.075 -0.621 -8.950 1.00 61.34 N ATOM 1407 CA ASP A 84 -5.601 -1.669 -9.834 1.00 4.14 C ATOM 1408 C ASP A 84 -6.258 -1.044 -11.080 1.00 64.22 C ATOM 1409 O ASP A 84 -6.759 0.079 -11.029 1.00 15.22 O ATOM 1410 CB ASP A 84 -6.601 -2.561 -9.083 1.00 33.52 C ATOM 1411 CG ASP A 84 -7.087 -3.726 -9.931 1.00 72.14 C ATOM 1412 OD1 ASP A 84 -6.307 -4.682 -10.142 1.00 11.42 O ATOM 1413 OD2 ASP A 84 -8.233 -3.683 -10.413 1.00 42.25 O ATOM 0 H ASP A 84 -5.547 0.278 -9.046 1.00 61.34 H new ATOM 0 HA ASP A 84 -4.769 -2.292 -10.161 1.00 4.14 H new ATOM 0 HB2 ASP A 84 -6.132 -2.945 -8.177 1.00 33.52 H new ATOM 0 HB3 ASP A 84 -7.456 -1.961 -8.770 1.00 33.52 H new ATOM 1418 N GLN A 85 -6.256 -1.779 -12.195 1.00 71.23 N ATOM 1419 CA GLN A 85 -6.743 -1.247 -13.479 1.00 3.34 C ATOM 1420 C GLN A 85 -8.272 -1.365 -13.639 1.00 34.34 C ATOM 1421 O GLN A 85 -8.834 -0.861 -14.615 1.00 61.01 O ATOM 1422 CB GLN A 85 -6.043 -1.957 -14.652 1.00 1.41 C ATOM 1423 CG GLN A 85 -4.545 -1.671 -14.749 1.00 50.14 C ATOM 1424 CD GLN A 85 -3.902 -2.288 -15.985 1.00 33.13 C ATOM 1425 OE1 GLN A 85 -3.850 -1.673 -17.049 1.00 75.33 O ATOM 1426 NE2 GLN A 85 -3.402 -3.501 -15.859 1.00 22.01 N ATOM 0 H GLN A 85 -5.924 -2.743 -12.239 1.00 71.23 H new ATOM 0 HA GLN A 85 -6.499 -0.185 -13.486 1.00 3.34 H new ATOM 0 HB2 GLN A 85 -6.191 -3.032 -14.553 1.00 1.41 H new ATOM 0 HB3 GLN A 85 -6.521 -1.654 -15.584 1.00 1.41 H new ATOM 0 HG2 GLN A 85 -4.386 -0.593 -14.763 1.00 50.14 H new ATOM 0 HG3 GLN A 85 -4.049 -2.055 -13.858 1.00 50.14 H new ATOM 0 HE21 GLN A 85 -3.460 -3.986 -14.964 1.00 22.01 H new ATOM 0 HE22 GLN A 85 -2.957 -3.955 -16.657 1.00 22.01 H new ATOM 1435 N ASP A 86 -8.944 -2.028 -12.699 1.00 22.21 N ATOM 1436 CA ASP A 86 -10.403 -2.196 -12.768 1.00 51.30 C ATOM 1437 C ASP A 86 -11.110 -1.586 -11.549 1.00 24.51 C ATOM 1438 O ASP A 86 -10.984 -2.088 -10.431 1.00 62.11 O ATOM 1439 CB ASP A 86 -10.766 -3.681 -12.885 1.00 13.45 C ATOM 1440 CG ASP A 86 -10.250 -4.299 -14.170 1.00 61.44 C ATOM 1441 OD1 ASP A 86 -10.851 -4.045 -15.238 1.00 63.43 O ATOM 1442 OD2 ASP A 86 -9.245 -5.035 -14.125 1.00 63.21 O ATOM 0 H ASP A 86 -8.508 -2.457 -11.883 1.00 22.21 H new ATOM 0 HA ASP A 86 -10.746 -1.665 -13.656 1.00 51.30 H new ATOM 0 HB2 ASP A 86 -10.354 -4.222 -12.033 1.00 13.45 H new ATOM 0 HB3 ASP A 86 -11.849 -3.793 -12.840 1.00 13.45 H new ATOM 1447 N GLN A 87 -11.872 -0.514 -11.773 1.00 25.50 N ATOM 1448 CA GLN A 87 -12.644 0.127 -10.698 1.00 14.42 C ATOM 1449 C GLN A 87 -13.564 -0.880 -9.986 1.00 50.21 C ATOM 1450 O GLN A 87 -13.739 -0.820 -8.769 1.00 51.35 O ATOM 1451 CB GLN A 87 -13.476 1.296 -11.251 1.00 54.44 C ATOM 1452 CG GLN A 87 -12.643 2.484 -11.724 1.00 42.12 C ATOM 1453 CD GLN A 87 -11.847 3.129 -10.599 1.00 2.14 C ATOM 1454 OE1 GLN A 87 -10.700 2.782 -10.349 1.00 21.21 O ATOM 1455 NE2 GLN A 87 -12.457 4.061 -9.897 1.00 63.21 N ATOM 0 H GLN A 87 -11.973 -0.070 -12.685 1.00 25.50 H new ATOM 0 HA GLN A 87 -11.931 0.511 -9.969 1.00 14.42 H new ATOM 0 HB2 GLN A 87 -14.081 0.936 -12.083 1.00 54.44 H new ATOM 0 HB3 GLN A 87 -14.166 1.634 -10.478 1.00 54.44 H new ATOM 0 HG2 GLN A 87 -11.958 2.154 -12.505 1.00 42.12 H new ATOM 0 HG3 GLN A 87 -13.301 3.229 -12.171 1.00 42.12 H new ATOM 0 HE21 GLN A 87 -13.413 4.330 -10.128 1.00 63.21 H new ATOM 0 HE22 GLN A 87 -11.973 4.514 -9.122 1.00 63.21 H new ATOM 1464 N ASN A 88 -14.135 -1.807 -10.753 1.00 32.54 N ATOM 1465 CA ASN A 88 -14.983 -2.870 -10.200 1.00 51.32 C ATOM 1466 C ASN A 88 -14.268 -3.625 -9.064 1.00 30.40 C ATOM 1467 O ASN A 88 -14.879 -3.977 -8.053 1.00 24.22 O ATOM 1468 CB ASN A 88 -15.374 -3.844 -11.318 1.00 21.20 C ATOM 1469 CG ASN A 88 -16.224 -5.001 -10.825 1.00 22.33 C ATOM 1470 OD1 ASN A 88 -15.714 -6.054 -10.456 1.00 60.14 O ATOM 1471 ND2 ASN A 88 -17.526 -4.820 -10.821 1.00 41.33 N ATOM 0 H ASN A 88 -14.027 -1.846 -11.766 1.00 32.54 H new ATOM 0 HA ASN A 88 -15.879 -2.413 -9.781 1.00 51.32 H new ATOM 0 HB2 ASN A 88 -15.920 -3.302 -12.090 1.00 21.20 H new ATOM 0 HB3 ASN A 88 -14.470 -4.237 -11.783 1.00 21.20 H new ATOM 0 HD21 ASN A 88 -18.144 -5.567 -10.505 1.00 41.33 H new ATOM 0 HD22 ASN A 88 -17.918 -3.932 -11.134 1.00 41.33 H new ATOM 1478 N ARG A 89 -12.972 -3.865 -9.248 1.00 72.32 N ATOM 1479 CA ARG A 89 -12.144 -4.537 -8.239 1.00 33.32 C ATOM 1480 C ARG A 89 -11.600 -3.529 -7.215 1.00 45.31 C ATOM 1481 O ARG A 89 -11.892 -3.608 -6.022 1.00 12.12 O ATOM 1482 CB ARG A 89 -10.976 -5.259 -8.927 1.00 72.32 C ATOM 1483 CG ARG A 89 -11.411 -6.170 -10.068 1.00 61.04 C ATOM 1484 CD ARG A 89 -10.223 -6.830 -10.755 1.00 22.01 C ATOM 1485 NE ARG A 89 -10.653 -7.701 -11.845 1.00 64.52 N ATOM 1486 CZ ARG A 89 -10.438 -8.984 -11.887 1.00 52.12 C ATOM 1487 NH1 ARG A 89 -9.730 -9.568 -10.975 1.00 22.55 N ATOM 1488 NH2 ARG A 89 -10.918 -9.680 -12.859 1.00 15.31 N ATOM 0 H ARG A 89 -12.465 -3.603 -10.093 1.00 72.32 H new ATOM 0 HA ARG A 89 -12.764 -5.262 -7.711 1.00 33.32 H new ATOM 0 HB2 ARG A 89 -10.277 -4.517 -9.312 1.00 72.32 H new ATOM 0 HB3 ARG A 89 -10.438 -5.850 -8.186 1.00 72.32 H new ATOM 0 HG2 ARG A 89 -12.080 -6.939 -9.683 1.00 61.04 H new ATOM 0 HG3 ARG A 89 -11.977 -5.592 -10.798 1.00 61.04 H new ATOM 0 HD2 ARG A 89 -9.553 -6.063 -11.143 1.00 22.01 H new ATOM 0 HD3 ARG A 89 -9.656 -7.409 -10.027 1.00 22.01 H new ATOM 0 HE ARG A 89 -11.155 -7.276 -12.625 1.00 64.52 H new ATOM 0 HH11 ARG A 89 -9.332 -9.022 -10.211 1.00 22.55 H new ATOM 0 HH12 ARG A 89 -9.570 -10.574 -11.020 1.00 22.55 H new ATOM 0 HH21 ARG A 89 -11.464 -9.225 -13.591 1.00 15.31 H new ATOM 0 HH22 ARG A 89 -10.752 -10.686 -12.897 1.00 15.31 H new ATOM 1502 N LEU A 90 -10.814 -2.579 -7.714 1.00 42.21 N ATOM 1503 CA LEU A 90 -10.167 -1.541 -6.900 1.00 14.14 C ATOM 1504 C LEU A 90 -11.136 -0.865 -5.910 1.00 41.41 C ATOM 1505 O LEU A 90 -10.884 -0.821 -4.703 1.00 21.50 O ATOM 1506 CB LEU A 90 -9.564 -0.486 -7.842 1.00 62.43 C ATOM 1507 CG LEU A 90 -8.752 0.632 -7.171 1.00 54.41 C ATOM 1508 CD1 LEU A 90 -7.551 0.061 -6.426 1.00 61.41 C ATOM 1509 CD2 LEU A 90 -8.308 1.662 -8.208 1.00 61.11 C ATOM 0 H LEU A 90 -10.602 -2.503 -8.709 1.00 42.21 H new ATOM 0 HA LEU A 90 -9.393 -2.019 -6.300 1.00 14.14 H new ATOM 0 HB2 LEU A 90 -8.920 -0.994 -8.560 1.00 62.43 H new ATOM 0 HB3 LEU A 90 -10.375 -0.029 -8.409 1.00 62.43 H new ATOM 0 HG LEU A 90 -9.391 1.130 -6.442 1.00 54.41 H new ATOM 0 HD11 LEU A 90 -6.993 0.873 -5.960 1.00 61.41 H new ATOM 0 HD12 LEU A 90 -7.895 -0.631 -5.657 1.00 61.41 H new ATOM 0 HD13 LEU A 90 -6.905 -0.468 -7.127 1.00 61.41 H new ATOM 0 HD21 LEU A 90 -7.734 2.448 -7.717 1.00 61.11 H new ATOM 0 HD22 LEU A 90 -7.688 1.176 -8.961 1.00 61.11 H new ATOM 0 HD23 LEU A 90 -9.185 2.098 -8.686 1.00 61.11 H new ATOM 1521 N GLU A 91 -12.246 -0.347 -6.428 1.00 51.53 N ATOM 1522 CA GLU A 91 -13.206 0.412 -5.617 1.00 41.33 C ATOM 1523 C GLU A 91 -13.962 -0.504 -4.630 1.00 73.42 C ATOM 1524 O GLU A 91 -14.337 -0.079 -3.537 1.00 1.41 O ATOM 1525 CB GLU A 91 -14.194 1.151 -6.546 1.00 13.35 C ATOM 1526 CG GLU A 91 -14.637 2.531 -6.055 1.00 22.22 C ATOM 1527 CD GLU A 91 -15.494 2.491 -4.799 1.00 43.12 C ATOM 1528 OE1 GLU A 91 -16.702 2.184 -4.902 1.00 5.25 O ATOM 1529 OE2 GLU A 91 -14.972 2.783 -3.704 1.00 23.40 O ATOM 0 H GLU A 91 -12.508 -0.437 -7.410 1.00 51.53 H new ATOM 0 HA GLU A 91 -12.657 1.142 -5.022 1.00 41.33 H new ATOM 0 HB2 GLU A 91 -13.732 1.262 -7.527 1.00 13.35 H new ATOM 0 HB3 GLU A 91 -15.079 0.528 -6.679 1.00 13.35 H new ATOM 0 HG2 GLU A 91 -13.753 3.138 -5.861 1.00 22.22 H new ATOM 0 HG3 GLU A 91 -15.196 3.026 -6.849 1.00 22.22 H new ATOM 1536 N GLU A 92 -14.168 -1.768 -5.006 1.00 54.34 N ATOM 1537 CA GLU A 92 -14.918 -2.704 -4.156 1.00 43.10 C ATOM 1538 C GLU A 92 -14.032 -3.303 -3.048 1.00 20.04 C ATOM 1539 O GLU A 92 -14.491 -3.528 -1.930 1.00 60.35 O ATOM 1540 CB GLU A 92 -15.547 -3.822 -4.998 1.00 52.32 C ATOM 1541 CG GLU A 92 -16.663 -4.572 -4.274 1.00 13.13 C ATOM 1542 CD GLU A 92 -17.774 -3.641 -3.802 1.00 72.25 C ATOM 1543 OE1 GLU A 92 -18.429 -3.009 -4.659 1.00 1.44 O ATOM 1544 OE2 GLU A 92 -17.980 -3.512 -2.576 1.00 44.42 O ATOM 0 H GLU A 92 -13.832 -2.167 -5.883 1.00 54.34 H new ATOM 0 HA GLU A 92 -15.715 -2.137 -3.675 1.00 43.10 H new ATOM 0 HB2 GLU A 92 -15.945 -3.394 -5.918 1.00 52.32 H new ATOM 0 HB3 GLU A 92 -14.770 -4.531 -5.286 1.00 52.32 H new ATOM 0 HG2 GLU A 92 -17.082 -5.326 -4.940 1.00 13.13 H new ATOM 0 HG3 GLU A 92 -16.246 -5.100 -3.417 1.00 13.13 H new ATOM 1551 N PHE A 93 -12.765 -3.567 -3.356 1.00 23.03 N ATOM 1552 CA PHE A 93 -11.805 -3.988 -2.330 1.00 50.04 C ATOM 1553 C PHE A 93 -11.587 -2.848 -1.325 1.00 73.23 C ATOM 1554 O PHE A 93 -11.407 -3.072 -0.124 1.00 61.14 O ATOM 1555 CB PHE A 93 -10.470 -4.406 -2.967 1.00 21.51 C ATOM 1556 CG PHE A 93 -9.448 -4.869 -1.959 1.00 51.11 C ATOM 1557 CD1 PHE A 93 -9.692 -5.986 -1.173 1.00 63.24 C ATOM 1558 CD2 PHE A 93 -8.252 -4.185 -1.790 1.00 62.22 C ATOM 1559 CE1 PHE A 93 -8.767 -6.409 -0.240 1.00 60.24 C ATOM 1560 CE2 PHE A 93 -7.322 -4.608 -0.859 1.00 5.34 C ATOM 1561 CZ PHE A 93 -7.580 -5.721 -0.084 1.00 34.02 C ATOM 0 H PHE A 93 -12.378 -3.499 -4.297 1.00 23.03 H new ATOM 0 HA PHE A 93 -12.211 -4.853 -1.806 1.00 50.04 H new ATOM 0 HB2 PHE A 93 -10.652 -5.207 -3.684 1.00 21.51 H new ATOM 0 HB3 PHE A 93 -10.063 -3.564 -3.527 1.00 21.51 H new ATOM 0 HD1 PHE A 93 -10.617 -6.531 -1.293 1.00 63.24 H new ATOM 0 HD2 PHE A 93 -8.046 -3.313 -2.393 1.00 62.22 H new ATOM 0 HE1 PHE A 93 -8.972 -7.278 0.368 1.00 60.24 H new ATOM 0 HE2 PHE A 93 -6.394 -4.068 -0.738 1.00 5.34 H new ATOM 0 HZ PHE A 93 -6.854 -6.053 0.644 1.00 34.02 H new ATOM 1571 N SER A 94 -11.619 -1.620 -1.841 1.00 3.52 N ATOM 1572 CA SER A 94 -11.582 -0.413 -1.009 1.00 53.34 C ATOM 1573 C SER A 94 -12.684 -0.433 0.060 1.00 11.43 C ATOM 1574 O SER A 94 -12.486 0.050 1.175 1.00 12.15 O ATOM 1575 CB SER A 94 -11.736 0.832 -1.893 1.00 54.33 C ATOM 1576 OG SER A 94 -11.919 2.009 -1.121 1.00 33.04 O ATOM 0 H SER A 94 -11.671 -1.432 -2.842 1.00 3.52 H new ATOM 0 HA SER A 94 -10.619 -0.385 -0.499 1.00 53.34 H new ATOM 0 HB2 SER A 94 -10.852 0.943 -2.521 1.00 54.33 H new ATOM 0 HB3 SER A 94 -12.587 0.700 -2.561 1.00 54.33 H new ATOM 0 HG SER A 94 -12.012 2.781 -1.718 1.00 33.04 H new ATOM 1582 N ARG A 95 -13.841 -1.007 -0.288 1.00 52.42 N ATOM 1583 CA ARG A 95 -14.965 -1.141 0.649 1.00 64.52 C ATOM 1584 C ARG A 95 -14.520 -1.853 1.932 1.00 73.40 C ATOM 1585 O ARG A 95 -14.726 -1.363 3.044 1.00 35.21 O ATOM 1586 CB ARG A 95 -16.097 -1.954 0.005 1.00 71.22 C ATOM 1587 CG ARG A 95 -17.492 -1.603 0.513 1.00 23.03 C ATOM 1588 CD ARG A 95 -18.064 -0.420 -0.254 1.00 52.30 C ATOM 1589 NE ARG A 95 -18.099 -0.698 -1.690 1.00 21.23 N ATOM 1590 CZ ARG A 95 -17.643 0.104 -2.612 1.00 42.35 C ATOM 1591 NH1 ARG A 95 -17.136 1.254 -2.300 1.00 12.12 N ATOM 1592 NH2 ARG A 95 -17.681 -0.256 -3.853 1.00 54.13 N ATOM 0 H ARG A 95 -14.025 -1.388 -1.216 1.00 52.42 H new ATOM 0 HA ARG A 95 -15.318 -0.139 0.894 1.00 64.52 H new ATOM 0 HB2 ARG A 95 -16.068 -1.803 -1.074 1.00 71.22 H new ATOM 0 HB3 ARG A 95 -15.914 -3.014 0.184 1.00 71.22 H new ATOM 0 HG2 ARG A 95 -18.151 -2.465 0.405 1.00 23.03 H new ATOM 0 HG3 ARG A 95 -17.448 -1.366 1.576 1.00 23.03 H new ATOM 0 HD2 ARG A 95 -19.070 -0.202 0.103 1.00 52.30 H new ATOM 0 HD3 ARG A 95 -17.460 0.467 -0.066 1.00 52.30 H new ATOM 0 HE ARG A 95 -18.509 -1.582 -1.992 1.00 21.23 H new ATOM 0 HH11 ARG A 95 -17.090 1.543 -1.323 1.00 12.12 H new ATOM 0 HH12 ARG A 95 -16.783 1.871 -3.031 1.00 12.12 H new ATOM 0 HH21 ARG A 95 -18.067 -1.165 -4.109 1.00 54.13 H new ATOM 0 HH22 ARG A 95 -17.325 0.369 -4.576 1.00 54.13 H new ATOM 1606 N GLU A 96 -13.909 -3.021 1.752 1.00 75.24 N ATOM 1607 CA GLU A 96 -13.416 -3.827 2.867 1.00 32.14 C ATOM 1608 C GLU A 96 -12.385 -3.069 3.704 1.00 43.22 C ATOM 1609 O GLU A 96 -12.549 -2.918 4.913 1.00 34.42 O ATOM 1610 CB GLU A 96 -12.806 -5.133 2.340 1.00 51.45 C ATOM 1611 CG GLU A 96 -13.839 -6.105 1.789 1.00 33.42 C ATOM 1612 CD GLU A 96 -14.848 -6.520 2.846 1.00 43.31 C ATOM 1613 OE1 GLU A 96 -14.492 -7.336 3.721 1.00 55.32 O ATOM 1614 OE2 GLU A 96 -15.990 -6.012 2.827 1.00 61.33 O ATOM 0 H GLU A 96 -13.742 -3.434 0.835 1.00 75.24 H new ATOM 0 HA GLU A 96 -14.264 -4.054 3.513 1.00 32.14 H new ATOM 0 HB2 GLU A 96 -12.085 -4.898 1.557 1.00 51.45 H new ATOM 0 HB3 GLU A 96 -12.255 -5.618 3.145 1.00 51.45 H new ATOM 0 HG2 GLU A 96 -14.361 -5.643 0.951 1.00 33.42 H new ATOM 0 HG3 GLU A 96 -13.334 -6.990 1.402 1.00 33.42 H new ATOM 1621 N VAL A 97 -11.331 -2.589 3.055 1.00 52.33 N ATOM 1622 CA VAL A 97 -10.263 -1.865 3.751 1.00 32.54 C ATOM 1623 C VAL A 97 -10.823 -0.681 4.561 1.00 42.21 C ATOM 1624 O VAL A 97 -10.474 -0.492 5.730 1.00 74.25 O ATOM 1625 CB VAL A 97 -9.196 -1.346 2.756 1.00 42.44 C ATOM 1626 CG1 VAL A 97 -8.053 -0.656 3.496 1.00 13.31 C ATOM 1627 CG2 VAL A 97 -8.671 -2.483 1.880 1.00 33.42 C ATOM 0 H VAL A 97 -11.189 -2.685 2.050 1.00 52.33 H new ATOM 0 HA VAL A 97 -9.796 -2.572 4.436 1.00 32.54 H new ATOM 0 HB VAL A 97 -9.669 -0.610 2.106 1.00 42.44 H new ATOM 0 HG11 VAL A 97 -7.316 -0.300 2.776 1.00 13.31 H new ATOM 0 HG12 VAL A 97 -8.444 0.189 4.063 1.00 13.31 H new ATOM 0 HG13 VAL A 97 -7.582 -1.364 4.178 1.00 13.31 H new ATOM 0 HG21 VAL A 97 -7.923 -2.094 1.189 1.00 33.42 H new ATOM 0 HG22 VAL A 97 -8.220 -3.249 2.510 1.00 33.42 H new ATOM 0 HG23 VAL A 97 -9.496 -2.917 1.315 1.00 33.42 H new ATOM 1637 N ARG A 98 -11.711 0.092 3.940 1.00 5.03 N ATOM 1638 CA ARG A 98 -12.327 1.249 4.596 1.00 64.44 C ATOM 1639 C ARG A 98 -13.211 0.823 5.783 1.00 73.02 C ATOM 1640 O ARG A 98 -13.150 1.418 6.860 1.00 30.55 O ATOM 1641 CB ARG A 98 -13.147 2.052 3.578 1.00 53.52 C ATOM 1642 CG ARG A 98 -13.722 3.350 4.137 1.00 11.22 C ATOM 1643 CD ARG A 98 -14.438 4.172 3.070 1.00 34.34 C ATOM 1644 NE ARG A 98 -14.970 5.416 3.622 1.00 2.14 N ATOM 1645 CZ ARG A 98 -15.304 6.462 2.916 1.00 4.31 C ATOM 1646 NH1 ARG A 98 -15.207 6.455 1.625 1.00 74.23 N ATOM 1647 NH2 ARG A 98 -15.760 7.513 3.513 1.00 44.23 N ATOM 0 H ARG A 98 -12.022 -0.060 2.981 1.00 5.03 H new ATOM 0 HA ARG A 98 -11.529 1.878 4.991 1.00 64.44 H new ATOM 0 HB2 ARG A 98 -12.516 2.285 2.720 1.00 53.52 H new ATOM 0 HB3 ARG A 98 -13.965 1.431 3.213 1.00 53.52 H new ATOM 0 HG2 ARG A 98 -14.419 3.119 4.943 1.00 11.22 H new ATOM 0 HG3 ARG A 98 -12.918 3.944 4.571 1.00 11.22 H new ATOM 0 HD2 ARG A 98 -13.746 4.399 2.259 1.00 34.34 H new ATOM 0 HD3 ARG A 98 -15.251 3.586 2.642 1.00 34.34 H new ATOM 0 HE ARG A 98 -15.089 5.471 4.634 1.00 2.14 H new ATOM 0 HH11 ARG A 98 -14.865 5.623 1.144 1.00 74.23 H new ATOM 0 HH12 ARG A 98 -15.472 7.281 1.089 1.00 74.23 H new ATOM 0 HH21 ARG A 98 -15.857 7.521 4.528 1.00 44.23 H new ATOM 0 HH22 ARG A 98 -16.023 8.335 2.969 1.00 44.23 H new ATOM 1661 N ARG A 99 -14.024 -0.217 5.585 1.00 74.02 N ATOM 1662 CA ARG A 99 -14.888 -0.736 6.656 1.00 1.53 C ATOM 1663 C ARG A 99 -14.068 -1.200 7.873 1.00 0.03 C ATOM 1664 O ARG A 99 -14.541 -1.152 9.010 1.00 50.23 O ATOM 1665 CB ARG A 99 -15.763 -1.893 6.135 1.00 74.35 C ATOM 1666 CG ARG A 99 -16.569 -2.596 7.232 1.00 43.52 C ATOM 1667 CD ARG A 99 -17.629 -3.542 6.672 1.00 32.31 C ATOM 1668 NE ARG A 99 -17.063 -4.633 5.873 1.00 3.44 N ATOM 1669 CZ ARG A 99 -17.158 -5.902 6.191 1.00 10.33 C ATOM 1670 NH1 ARG A 99 -17.669 -6.262 7.326 1.00 42.12 N ATOM 1671 NH2 ARG A 99 -16.719 -6.807 5.380 1.00 1.10 N ATOM 0 H ARG A 99 -14.105 -0.716 4.699 1.00 74.02 H new ATOM 0 HA ARG A 99 -15.534 0.081 6.978 1.00 1.53 H new ATOM 0 HB2 ARG A 99 -16.450 -1.507 5.382 1.00 74.35 H new ATOM 0 HB3 ARG A 99 -15.125 -2.625 5.639 1.00 74.35 H new ATOM 0 HG2 ARG A 99 -15.889 -3.158 7.873 1.00 43.52 H new ATOM 0 HG3 ARG A 99 -17.052 -1.846 7.859 1.00 43.52 H new ATOM 0 HD2 ARG A 99 -18.203 -3.964 7.497 1.00 32.31 H new ATOM 0 HD3 ARG A 99 -18.326 -2.973 6.057 1.00 32.31 H new ATOM 0 HE ARG A 99 -16.564 -4.390 5.017 1.00 3.44 H new ATOM 0 HH11 ARG A 99 -18.002 -5.556 7.982 1.00 42.12 H new ATOM 0 HH12 ARG A 99 -17.738 -7.252 7.563 1.00 42.12 H new ATOM 0 HH21 ARG A 99 -16.298 -6.535 4.492 1.00 1.10 H new ATOM 0 HH22 ARG A 99 -16.793 -7.794 5.628 1.00 1.10 H new ATOM 1685 N ARG A 100 -12.832 -1.630 7.633 1.00 60.22 N ATOM 1686 CA ARG A 100 -11.970 -2.152 8.701 1.00 74.42 C ATOM 1687 C ARG A 100 -11.209 -1.028 9.431 1.00 20.14 C ATOM 1688 O ARG A 100 -10.312 -1.295 10.233 1.00 55.15 O ATOM 1689 CB ARG A 100 -11.010 -3.197 8.114 1.00 62.31 C ATOM 1690 CG ARG A 100 -11.758 -4.307 7.380 1.00 23.41 C ATOM 1691 CD ARG A 100 -10.840 -5.319 6.706 1.00 11.11 C ATOM 1692 NE ARG A 100 -11.606 -6.240 5.861 1.00 73.44 N ATOM 1693 CZ ARG A 100 -11.580 -7.544 5.958 1.00 21.22 C ATOM 1694 NH1 ARG A 100 -10.821 -8.131 6.828 1.00 35.31 N ATOM 1695 NH2 ARG A 100 -12.325 -8.261 5.183 1.00 54.35 N ATOM 0 H ARG A 100 -12.400 -1.629 6.709 1.00 60.22 H new ATOM 0 HA ARG A 100 -12.599 -2.630 9.453 1.00 74.42 H new ATOM 0 HB2 ARG A 100 -10.318 -2.709 7.427 1.00 62.31 H new ATOM 0 HB3 ARG A 100 -10.411 -3.631 8.915 1.00 62.31 H new ATOM 0 HG2 ARG A 100 -12.403 -4.829 8.087 1.00 23.41 H new ATOM 0 HG3 ARG A 100 -12.407 -3.860 6.627 1.00 23.41 H new ATOM 0 HD2 ARG A 100 -10.098 -4.797 6.102 1.00 11.11 H new ATOM 0 HD3 ARG A 100 -10.295 -5.882 7.463 1.00 11.11 H new ATOM 0 HE ARG A 100 -12.205 -5.833 5.143 1.00 73.44 H new ATOM 0 HH11 ARG A 100 -10.233 -7.575 7.449 1.00 35.31 H new ATOM 0 HH12 ARG A 100 -10.811 -9.149 6.892 1.00 35.31 H new ATOM 0 HH21 ARG A 100 -12.931 -7.810 4.498 1.00 54.35 H new ATOM 0 HH22 ARG A 100 -12.307 -9.278 5.256 1.00 54.35 H new ATOM 1709 N GLY A 101 -11.582 0.225 9.156 1.00 34.12 N ATOM 1710 CA GLY A 101 -11.036 1.363 9.898 1.00 1.44 C ATOM 1711 C GLY A 101 -9.828 2.023 9.238 1.00 15.32 C ATOM 1712 O GLY A 101 -9.219 2.923 9.814 1.00 22.13 O ATOM 0 H GLY A 101 -12.254 0.475 8.431 1.00 34.12 H new ATOM 0 HA2 GLY A 101 -11.820 2.110 10.023 1.00 1.44 H new ATOM 0 HA3 GLY A 101 -10.752 1.029 10.896 1.00 1.44 H new ATOM 1716 N PHE A 102 -9.480 1.591 8.030 1.00 33.55 N ATOM 1717 CA PHE A 102 -8.315 2.141 7.325 1.00 32.43 C ATOM 1718 C PHE A 102 -8.737 3.038 6.152 1.00 55.24 C ATOM 1719 O PHE A 102 -9.402 2.587 5.217 1.00 4.03 O ATOM 1720 CB PHE A 102 -7.418 1.003 6.824 1.00 75.44 C ATOM 1721 CG PHE A 102 -6.979 0.069 7.924 1.00 21.11 C ATOM 1722 CD1 PHE A 102 -6.000 0.454 8.831 1.00 62.24 C ATOM 1723 CD2 PHE A 102 -7.550 -1.189 8.057 1.00 25.21 C ATOM 1724 CE1 PHE A 102 -5.605 -0.396 9.845 1.00 5.01 C ATOM 1725 CE2 PHE A 102 -7.156 -2.040 9.068 1.00 52.10 C ATOM 1726 CZ PHE A 102 -6.183 -1.643 9.964 1.00 4.51 C ATOM 0 H PHE A 102 -9.981 0.866 7.517 1.00 33.55 H new ATOM 0 HA PHE A 102 -7.757 2.757 8.030 1.00 32.43 H new ATOM 0 HB2 PHE A 102 -7.953 0.434 6.064 1.00 75.44 H new ATOM 0 HB3 PHE A 102 -6.537 1.428 6.343 1.00 75.44 H new ATOM 0 HD1 PHE A 102 -5.543 1.428 8.742 1.00 62.24 H new ATOM 0 HD2 PHE A 102 -8.312 -1.505 7.360 1.00 25.21 H new ATOM 0 HE1 PHE A 102 -4.844 -0.085 10.545 1.00 5.01 H new ATOM 0 HE2 PHE A 102 -7.608 -3.017 9.159 1.00 52.10 H new ATOM 0 HZ PHE A 102 -5.875 -2.308 10.757 1.00 4.51 H new ATOM 1736 N GLU A 103 -8.352 4.315 6.206 1.00 30.31 N ATOM 1737 CA GLU A 103 -8.666 5.254 5.126 1.00 74.34 C ATOM 1738 C GLU A 103 -7.850 4.931 3.865 1.00 43.22 C ATOM 1739 O GLU A 103 -6.662 5.253 3.762 1.00 51.12 O ATOM 1740 CB GLU A 103 -8.431 6.706 5.571 1.00 24.01 C ATOM 1741 CG GLU A 103 -9.303 7.130 6.751 1.00 1.21 C ATOM 1742 CD GLU A 103 -9.259 8.628 7.017 1.00 73.53 C ATOM 1743 OE1 GLU A 103 -8.372 9.086 7.766 1.00 11.35 O ATOM 1744 OE2 GLU A 103 -10.126 9.359 6.481 1.00 44.31 O ATOM 0 H GLU A 103 -7.826 4.721 6.980 1.00 30.31 H new ATOM 0 HA GLU A 103 -9.723 5.144 4.884 1.00 74.34 H new ATOM 0 HB2 GLU A 103 -7.382 6.830 5.841 1.00 24.01 H new ATOM 0 HB3 GLU A 103 -8.624 7.371 4.729 1.00 24.01 H new ATOM 0 HG2 GLU A 103 -10.334 6.831 6.560 1.00 1.21 H new ATOM 0 HG3 GLU A 103 -8.978 6.598 7.645 1.00 1.21 H new ATOM 1751 N VAL A 104 -8.506 4.270 2.919 1.00 51.04 N ATOM 1752 CA VAL A 104 -7.862 3.802 1.691 1.00 14.13 C ATOM 1753 C VAL A 104 -7.976 4.822 0.541 1.00 14.01 C ATOM 1754 O VAL A 104 -9.030 5.420 0.321 1.00 20.43 O ATOM 1755 CB VAL A 104 -8.471 2.444 1.247 1.00 64.44 C ATOM 1756 CG1 VAL A 104 -9.993 2.528 1.182 1.00 34.42 C ATOM 1757 CG2 VAL A 104 -7.894 1.990 -0.094 1.00 40.04 C ATOM 0 H VAL A 104 -9.498 4.042 2.978 1.00 51.04 H new ATOM 0 HA VAL A 104 -6.803 3.677 1.916 1.00 14.13 H new ATOM 0 HB VAL A 104 -8.202 1.698 1.995 1.00 64.44 H new ATOM 0 HG11 VAL A 104 -10.397 1.565 0.869 1.00 34.42 H new ATOM 0 HG12 VAL A 104 -10.386 2.784 2.166 1.00 34.42 H new ATOM 0 HG13 VAL A 104 -10.285 3.295 0.464 1.00 34.42 H new ATOM 0 HG21 VAL A 104 -8.340 1.037 -0.378 1.00 40.04 H new ATOM 0 HG22 VAL A 104 -8.116 2.736 -0.857 1.00 40.04 H new ATOM 0 HG23 VAL A 104 -6.814 1.873 -0.005 1.00 40.04 H new ATOM 1767 N ARG A 105 -6.874 5.013 -0.183 1.00 41.25 N ATOM 1768 CA ARG A 105 -6.842 5.893 -1.359 1.00 21.02 C ATOM 1769 C ARG A 105 -6.538 5.091 -2.633 1.00 34.31 C ATOM 1770 O ARG A 105 -5.516 4.412 -2.726 1.00 60.42 O ATOM 1771 CB ARG A 105 -5.799 7.004 -1.166 1.00 12.00 C ATOM 1772 CG ARG A 105 -6.160 7.988 -0.055 1.00 21.04 C ATOM 1773 CD ARG A 105 -7.424 8.779 -0.392 1.00 65.50 C ATOM 1774 NE ARG A 105 -7.857 9.630 0.716 1.00 11.53 N ATOM 1775 CZ ARG A 105 -7.444 10.852 0.915 1.00 60.04 C ATOM 1776 NH1 ARG A 105 -6.572 11.390 0.121 1.00 54.00 N ATOM 1777 NH2 ARG A 105 -7.898 11.535 1.915 1.00 12.25 N ATOM 0 H ARG A 105 -5.981 4.566 0.024 1.00 41.25 H new ATOM 0 HA ARG A 105 -7.825 6.350 -1.470 1.00 21.02 H new ATOM 0 HB2 ARG A 105 -4.834 6.551 -0.940 1.00 12.00 H new ATOM 0 HB3 ARG A 105 -5.684 7.551 -2.102 1.00 12.00 H new ATOM 0 HG2 ARG A 105 -6.308 7.445 0.879 1.00 21.04 H new ATOM 0 HG3 ARG A 105 -5.331 8.677 0.105 1.00 21.04 H new ATOM 0 HD2 ARG A 105 -7.240 9.396 -1.271 1.00 65.50 H new ATOM 0 HD3 ARG A 105 -8.225 8.087 -0.650 1.00 65.50 H new ATOM 0 HE ARG A 105 -8.528 9.242 1.379 1.00 11.53 H new ATOM 0 HH11 ARG A 105 -6.203 10.858 -0.667 1.00 54.00 H new ATOM 0 HH12 ARG A 105 -6.255 12.346 0.284 1.00 54.00 H new ATOM 0 HH21 ARG A 105 -8.580 11.119 2.549 1.00 12.25 H new ATOM 0 HH22 ARG A 105 -7.574 12.490 2.069 1.00 12.25 H new ATOM 1791 N THR A 106 -7.434 5.174 -3.611 1.00 75.35 N ATOM 1792 CA THR A 106 -7.318 4.390 -4.847 1.00 21.22 C ATOM 1793 C THR A 106 -6.697 5.208 -5.991 1.00 71.21 C ATOM 1794 O THR A 106 -7.086 6.354 -6.241 1.00 24.14 O ATOM 1795 CB THR A 106 -8.701 3.856 -5.291 1.00 1.33 C ATOM 1796 OG1 THR A 106 -9.620 4.944 -5.473 1.00 73.11 O ATOM 1797 CG2 THR A 106 -9.267 2.878 -4.263 1.00 4.30 C ATOM 0 H THR A 106 -8.255 5.778 -3.576 1.00 75.35 H new ATOM 0 HA THR A 106 -6.657 3.552 -4.627 1.00 21.22 H new ATOM 0 HB THR A 106 -8.568 3.331 -6.237 1.00 1.33 H new ATOM 0 HG1 THR A 106 -9.121 5.763 -5.677 1.00 73.11 H new ATOM 0 HG21 THR A 106 -10.239 2.518 -4.600 1.00 4.30 H new ATOM 0 HG22 THR A 106 -8.587 2.034 -4.151 1.00 4.30 H new ATOM 0 HG23 THR A 106 -9.380 3.383 -3.304 1.00 4.30 H new ATOM 1805 N VAL A 107 -5.725 4.615 -6.683 1.00 2.01 N ATOM 1806 CA VAL A 107 -5.039 5.282 -7.799 1.00 0.41 C ATOM 1807 C VAL A 107 -5.072 4.422 -9.077 1.00 14.13 C ATOM 1808 O VAL A 107 -4.875 3.208 -9.029 1.00 44.13 O ATOM 1809 CB VAL A 107 -3.570 5.625 -7.433 1.00 64.11 C ATOM 1810 CG1 VAL A 107 -3.522 6.713 -6.360 1.00 2.11 C ATOM 1811 CG2 VAL A 107 -2.816 4.380 -6.967 1.00 20.41 C ATOM 0 H VAL A 107 -5.391 3.670 -6.493 1.00 2.01 H new ATOM 0 HA VAL A 107 -5.577 6.210 -7.993 1.00 0.41 H new ATOM 0 HB VAL A 107 -3.079 6.002 -8.330 1.00 64.11 H new ATOM 0 HG11 VAL A 107 -2.484 6.939 -6.117 1.00 2.11 H new ATOM 0 HG12 VAL A 107 -4.012 7.613 -6.732 1.00 2.11 H new ATOM 0 HG13 VAL A 107 -4.036 6.364 -5.465 1.00 2.11 H new ATOM 0 HG21 VAL A 107 -1.790 4.649 -6.717 1.00 20.41 H new ATOM 0 HG22 VAL A 107 -3.307 3.965 -6.087 1.00 20.41 H new ATOM 0 HG23 VAL A 107 -2.813 3.637 -7.764 1.00 20.41 H new ATOM 1821 N THR A 108 -5.330 5.067 -10.218 1.00 72.41 N ATOM 1822 CA THR A 108 -5.484 4.365 -11.507 1.00 21.13 C ATOM 1823 C THR A 108 -4.244 4.494 -12.408 1.00 54.33 C ATOM 1824 O THR A 108 -3.983 3.631 -13.245 1.00 44.21 O ATOM 1825 CB THR A 108 -6.701 4.914 -12.287 1.00 75.13 C ATOM 1826 OG1 THR A 108 -6.535 6.323 -12.508 1.00 21.52 O ATOM 1827 CG2 THR A 108 -8.001 4.666 -11.526 1.00 1.00 C ATOM 0 H THR A 108 -5.438 6.079 -10.281 1.00 72.41 H new ATOM 0 HA THR A 108 -5.626 3.313 -11.258 1.00 21.13 H new ATOM 0 HB THR A 108 -6.759 4.392 -13.242 1.00 75.13 H new ATOM 0 HG1 THR A 108 -7.306 6.669 -13.004 1.00 21.52 H new ATOM 0 HG21 THR A 108 -8.839 5.063 -12.099 1.00 1.00 H new ATOM 0 HG22 THR A 108 -8.137 3.595 -11.378 1.00 1.00 H new ATOM 0 HG23 THR A 108 -7.956 5.163 -10.557 1.00 1.00 H new ATOM 1835 N SER A 109 -3.488 5.580 -12.256 1.00 21.42 N ATOM 1836 CA SER A 109 -2.289 5.812 -13.082 1.00 21.14 C ATOM 1837 C SER A 109 -1.093 6.263 -12.228 1.00 61.54 C ATOM 1838 O SER A 109 -1.274 6.838 -11.153 1.00 31.14 O ATOM 1839 CB SER A 109 -2.578 6.863 -14.166 1.00 35.32 C ATOM 1840 OG SER A 109 -3.580 6.417 -15.070 1.00 14.02 O ATOM 0 H SER A 109 -3.677 6.314 -11.574 1.00 21.42 H new ATOM 0 HA SER A 109 -2.031 4.865 -13.556 1.00 21.14 H new ATOM 0 HB2 SER A 109 -2.898 7.793 -13.696 1.00 35.32 H new ATOM 0 HB3 SER A 109 -1.662 7.082 -14.715 1.00 35.32 H new ATOM 0 HG SER A 109 -3.742 7.108 -15.746 1.00 14.02 H new ATOM 1846 N PRO A 110 0.152 6.017 -12.702 1.00 42.32 N ATOM 1847 CA PRO A 110 1.377 6.396 -11.968 1.00 14.11 C ATOM 1848 C PRO A 110 1.422 7.890 -11.597 1.00 60.45 C ATOM 1849 O PRO A 110 1.816 8.245 -10.489 1.00 3.21 O ATOM 1850 CB PRO A 110 2.519 6.034 -12.942 1.00 14.21 C ATOM 1851 CG PRO A 110 1.861 5.847 -14.271 1.00 13.11 C ATOM 1852 CD PRO A 110 0.474 5.348 -13.976 1.00 71.44 C ATOM 0 HA PRO A 110 1.442 5.879 -11.011 1.00 14.11 H new ATOM 0 HB2 PRO A 110 3.267 6.825 -12.982 1.00 14.21 H new ATOM 0 HB3 PRO A 110 3.032 5.126 -12.626 1.00 14.21 H new ATOM 0 HG2 PRO A 110 1.829 6.784 -14.827 1.00 13.11 H new ATOM 0 HG3 PRO A 110 2.412 5.132 -14.883 1.00 13.11 H new ATOM 0 HD2 PRO A 110 -0.229 5.618 -14.764 1.00 71.44 H new ATOM 0 HD3 PRO A 110 0.446 4.262 -13.882 1.00 71.44 H new ATOM 1860 N ASP A 111 1.022 8.762 -12.526 1.00 64.42 N ATOM 1861 CA ASP A 111 0.978 10.206 -12.261 1.00 51.14 C ATOM 1862 C ASP A 111 -0.058 10.566 -11.182 1.00 13.03 C ATOM 1863 O ASP A 111 0.197 11.424 -10.336 1.00 45.14 O ATOM 1864 CB ASP A 111 0.700 10.973 -13.555 1.00 23.30 C ATOM 1865 CG ASP A 111 1.891 10.929 -14.496 1.00 54.50 C ATOM 1866 OD1 ASP A 111 2.179 9.849 -15.050 1.00 63.42 O ATOM 1867 OD2 ASP A 111 2.571 11.964 -14.654 1.00 73.31 O ATOM 0 H ASP A 111 0.725 8.497 -13.465 1.00 64.42 H new ATOM 0 HA ASP A 111 1.955 10.499 -11.876 1.00 51.14 H new ATOM 0 HB2 ASP A 111 -0.172 10.548 -14.051 1.00 23.30 H new ATOM 0 HB3 ASP A 111 0.459 12.010 -13.320 1.00 23.30 H new ATOM 1872 N ASP A 112 -1.217 9.910 -11.208 1.00 55.10 N ATOM 1873 CA ASP A 112 -2.229 10.101 -10.159 1.00 2.21 C ATOM 1874 C ASP A 112 -1.688 9.658 -8.789 1.00 33.55 C ATOM 1875 O ASP A 112 -1.929 10.314 -7.772 1.00 24.40 O ATOM 1876 CB ASP A 112 -3.512 9.339 -10.507 1.00 72.03 C ATOM 1877 CG ASP A 112 -4.190 9.914 -11.738 1.00 61.11 C ATOM 1878 OD1 ASP A 112 -3.809 9.539 -12.863 1.00 43.13 O ATOM 1879 OD2 ASP A 112 -5.094 10.763 -11.584 1.00 14.44 O ATOM 0 H ASP A 112 -1.482 9.246 -11.936 1.00 55.10 H new ATOM 0 HA ASP A 112 -2.464 11.164 -10.101 1.00 2.21 H new ATOM 0 HB2 ASP A 112 -3.276 8.289 -10.678 1.00 72.03 H new ATOM 0 HB3 ASP A 112 -4.199 9.378 -9.662 1.00 72.03 H new ATOM 1884 N PHE A 113 -0.950 8.549 -8.773 1.00 54.33 N ATOM 1885 CA PHE A 113 -0.253 8.102 -7.563 1.00 72.13 C ATOM 1886 C PHE A 113 0.801 9.133 -7.130 1.00 10.24 C ATOM 1887 O PHE A 113 0.906 9.474 -5.956 1.00 24.23 O ATOM 1888 CB PHE A 113 0.415 6.739 -7.797 1.00 4.31 C ATOM 1889 CG PHE A 113 1.279 6.288 -6.644 1.00 63.21 C ATOM 1890 CD1 PHE A 113 0.707 5.759 -5.496 1.00 43.44 C ATOM 1891 CD2 PHE A 113 2.662 6.402 -6.704 1.00 21.31 C ATOM 1892 CE1 PHE A 113 1.495 5.354 -4.436 1.00 63.31 C ATOM 1893 CE2 PHE A 113 3.452 5.997 -5.647 1.00 2.22 C ATOM 1894 CZ PHE A 113 2.868 5.473 -4.512 1.00 51.43 C ATOM 0 H PHE A 113 -0.818 7.942 -9.582 1.00 54.33 H new ATOM 0 HA PHE A 113 -0.991 8.001 -6.767 1.00 72.13 H new ATOM 0 HB2 PHE A 113 -0.357 5.991 -7.977 1.00 4.31 H new ATOM 0 HB3 PHE A 113 1.025 6.792 -8.699 1.00 4.31 H new ATOM 0 HD1 PHE A 113 -0.367 5.663 -5.430 1.00 43.44 H new ATOM 0 HD2 PHE A 113 3.125 6.813 -7.589 1.00 21.31 H new ATOM 0 HE1 PHE A 113 1.037 4.944 -3.548 1.00 63.31 H new ATOM 0 HE2 PHE A 113 4.526 6.090 -5.708 1.00 2.22 H new ATOM 0 HZ PHE A 113 3.485 5.156 -3.684 1.00 51.43 H new ATOM 1904 N LYS A 114 1.571 9.618 -8.098 1.00 34.22 N ATOM 1905 CA LYS A 114 2.605 10.630 -7.859 1.00 13.00 C ATOM 1906 C LYS A 114 2.031 11.861 -7.143 1.00 15.12 C ATOM 1907 O LYS A 114 2.554 12.300 -6.121 1.00 2.42 O ATOM 1908 CB LYS A 114 3.230 11.029 -9.206 1.00 50.01 C ATOM 1909 CG LYS A 114 4.293 12.122 -9.131 1.00 52.12 C ATOM 1910 CD LYS A 114 4.976 12.320 -10.487 1.00 41.44 C ATOM 1911 CE LYS A 114 3.971 12.630 -11.595 1.00 30.11 C ATOM 1912 NZ LYS A 114 4.604 12.631 -12.942 1.00 11.11 N ATOM 0 H LYS A 114 1.499 9.324 -9.072 1.00 34.22 H new ATOM 0 HA LYS A 114 3.370 10.208 -7.207 1.00 13.00 H new ATOM 0 HB2 LYS A 114 3.674 10.143 -9.659 1.00 50.01 H new ATOM 0 HB3 LYS A 114 2.435 11.363 -9.873 1.00 50.01 H new ATOM 0 HG2 LYS A 114 3.835 13.058 -8.811 1.00 52.12 H new ATOM 0 HG3 LYS A 114 5.038 11.858 -8.380 1.00 52.12 H new ATOM 0 HD2 LYS A 114 5.697 13.134 -10.414 1.00 41.44 H new ATOM 0 HD3 LYS A 114 5.535 11.421 -10.746 1.00 41.44 H new ATOM 0 HE2 LYS A 114 3.169 11.892 -11.573 1.00 30.11 H new ATOM 0 HE3 LYS A 114 3.515 13.602 -11.409 1.00 30.11 H new ATOM 0 HZ1 LYS A 114 3.864 12.625 -13.673 1.00 11.11 H new ATOM 0 HZ2 LYS A 114 5.190 13.483 -13.049 1.00 11.11 H new ATOM 0 HZ3 LYS A 114 5.200 11.785 -13.046 1.00 11.11 H new ATOM 1926 N LYS A 115 0.942 12.398 -7.678 1.00 1.04 N ATOM 1927 CA LYS A 115 0.291 13.578 -7.101 1.00 3.34 C ATOM 1928 C LYS A 115 -0.298 13.282 -5.712 1.00 51.25 C ATOM 1929 O LYS A 115 -0.039 14.005 -4.748 1.00 60.01 O ATOM 1930 CB LYS A 115 -0.809 14.073 -8.044 1.00 53.13 C ATOM 1931 CG LYS A 115 -0.293 14.435 -9.434 1.00 42.31 C ATOM 1932 CD LYS A 115 -1.425 14.820 -10.377 1.00 12.32 C ATOM 1933 CE LYS A 115 -0.910 15.120 -11.780 1.00 23.45 C ATOM 1934 NZ LYS A 115 -2.019 15.408 -12.726 1.00 11.34 N ATOM 0 H LYS A 115 0.485 12.036 -8.515 1.00 1.04 H new ATOM 0 HA LYS A 115 1.047 14.353 -6.979 1.00 3.34 H new ATOM 0 HB2 LYS A 115 -1.573 13.301 -8.137 1.00 53.13 H new ATOM 0 HB3 LYS A 115 -1.290 14.946 -7.604 1.00 53.13 H new ATOM 0 HG2 LYS A 115 0.412 15.263 -9.355 1.00 42.31 H new ATOM 0 HG3 LYS A 115 0.254 13.589 -9.850 1.00 42.31 H new ATOM 0 HD2 LYS A 115 -2.153 14.010 -10.422 1.00 12.32 H new ATOM 0 HD3 LYS A 115 -1.944 15.694 -9.985 1.00 12.32 H new ATOM 0 HE2 LYS A 115 -0.233 15.973 -11.744 1.00 23.45 H new ATOM 0 HE3 LYS A 115 -0.333 14.270 -12.145 1.00 23.45 H new ATOM 0 HZ1 LYS A 115 -1.628 15.607 -13.669 1.00 11.34 H new ATOM 0 HZ2 LYS A 115 -2.652 14.584 -12.780 1.00 11.34 H new ATOM 0 HZ3 LYS A 115 -2.555 16.235 -12.392 1.00 11.34 H new ATOM 1948 N SER A 116 -1.082 12.207 -5.615 1.00 54.24 N ATOM 1949 CA SER A 116 -1.744 11.836 -4.353 1.00 32.04 C ATOM 1950 C SER A 116 -0.731 11.541 -3.236 1.00 25.04 C ATOM 1951 O SER A 116 -0.924 11.958 -2.094 1.00 1.13 O ATOM 1952 CB SER A 116 -2.661 10.621 -4.557 1.00 71.33 C ATOM 1953 OG SER A 116 -1.933 9.491 -5.008 1.00 63.51 O ATOM 0 H SER A 116 -1.277 11.575 -6.392 1.00 54.24 H new ATOM 0 HA SER A 116 -2.344 12.693 -4.045 1.00 32.04 H new ATOM 0 HB2 SER A 116 -3.163 10.381 -3.620 1.00 71.33 H new ATOM 0 HB3 SER A 116 -3.438 10.867 -5.281 1.00 71.33 H new ATOM 0 HG SER A 116 -1.678 9.619 -5.945 1.00 63.51 H new ATOM 1959 N LEU A 117 0.345 10.827 -3.568 1.00 61.21 N ATOM 1960 CA LEU A 117 1.397 10.514 -2.593 1.00 21.24 C ATOM 1961 C LEU A 117 2.056 11.796 -2.061 1.00 13.42 C ATOM 1962 O LEU A 117 2.185 11.980 -0.850 1.00 12.21 O ATOM 1963 CB LEU A 117 2.462 9.600 -3.216 1.00 64.04 C ATOM 1964 CG LEU A 117 3.546 9.103 -2.239 1.00 21.12 C ATOM 1965 CD1 LEU A 117 2.941 8.198 -1.166 1.00 33.42 C ATOM 1966 CD2 LEU A 117 4.671 8.388 -2.983 1.00 64.45 C ATOM 0 H LEU A 117 0.513 10.454 -4.502 1.00 61.21 H new ATOM 0 HA LEU A 117 0.929 9.992 -1.758 1.00 21.24 H new ATOM 0 HB2 LEU A 117 1.965 8.735 -3.655 1.00 64.04 H new ATOM 0 HB3 LEU A 117 2.947 10.136 -4.032 1.00 64.04 H new ATOM 0 HG LEU A 117 3.974 9.975 -1.744 1.00 21.12 H new ATOM 0 HD11 LEU A 117 3.726 7.861 -0.489 1.00 33.42 H new ATOM 0 HD12 LEU A 117 2.190 8.753 -0.603 1.00 33.42 H new ATOM 0 HD13 LEU A 117 2.474 7.334 -1.639 1.00 33.42 H new ATOM 0 HD21 LEU A 117 5.421 8.048 -2.269 1.00 64.45 H new ATOM 0 HD22 LEU A 117 4.265 7.530 -3.519 1.00 64.45 H new ATOM 0 HD23 LEU A 117 5.131 9.075 -3.694 1.00 64.45 H new ATOM 1978 N GLU A 118 2.465 12.681 -2.976 1.00 72.40 N ATOM 1979 CA GLU A 118 3.044 13.980 -2.602 1.00 71.33 C ATOM 1980 C GLU A 118 2.143 14.724 -1.603 1.00 33.33 C ATOM 1981 O GLU A 118 2.623 15.335 -0.646 1.00 70.43 O ATOM 1982 CB GLU A 118 3.248 14.847 -3.853 1.00 15.31 C ATOM 1983 CG GLU A 118 4.310 14.324 -4.815 1.00 65.55 C ATOM 1984 CD GLU A 118 5.722 14.458 -4.271 1.00 25.24 C ATOM 1985 OE1 GLU A 118 6.174 15.607 -4.067 1.00 51.32 O ATOM 1986 OE2 GLU A 118 6.393 13.430 -4.058 1.00 73.42 O ATOM 0 H GLU A 118 2.407 12.523 -3.982 1.00 72.40 H new ATOM 0 HA GLU A 118 4.006 13.792 -2.126 1.00 71.33 H new ATOM 0 HB2 GLU A 118 2.300 14.925 -4.385 1.00 15.31 H new ATOM 0 HB3 GLU A 118 3.522 15.855 -3.541 1.00 15.31 H new ATOM 0 HG2 GLU A 118 4.109 13.275 -5.034 1.00 65.55 H new ATOM 0 HG3 GLU A 118 4.237 14.866 -5.758 1.00 65.55 H new ATOM 1993 N ARG A 119 0.835 14.665 -1.841 1.00 70.40 N ATOM 1994 CA ARG A 119 -0.145 15.286 -0.946 1.00 54.33 C ATOM 1995 C ARG A 119 -0.165 14.589 0.424 1.00 15.12 C ATOM 1996 O ARG A 119 0.116 15.209 1.455 1.00 15.25 O ATOM 1997 CB ARG A 119 -1.548 15.229 -1.568 1.00 31.03 C ATOM 1998 CG ARG A 119 -1.655 15.908 -2.929 1.00 1.25 C ATOM 1999 CD ARG A 119 -1.258 17.377 -2.869 1.00 3.41 C ATOM 2000 NE ARG A 119 -2.110 18.145 -1.966 1.00 41.22 N ATOM 2001 CZ ARG A 119 -2.238 19.442 -2.013 1.00 63.25 C ATOM 2002 NH1 ARG A 119 -1.590 20.137 -2.894 1.00 34.50 N ATOM 2003 NH2 ARG A 119 -3.010 20.045 -1.173 1.00 41.34 N ATOM 0 H ARG A 119 0.426 14.193 -2.647 1.00 70.40 H new ATOM 0 HA ARG A 119 0.148 16.326 -0.804 1.00 54.33 H new ATOM 0 HB2 ARG A 119 -1.846 14.186 -1.670 1.00 31.03 H new ATOM 0 HB3 ARG A 119 -2.256 15.697 -0.884 1.00 31.03 H new ATOM 0 HG2 ARG A 119 -1.016 15.389 -3.644 1.00 1.25 H new ATOM 0 HG3 ARG A 119 -2.678 15.824 -3.296 1.00 1.25 H new ATOM 0 HD2 ARG A 119 -0.221 17.458 -2.543 1.00 3.41 H new ATOM 0 HD3 ARG A 119 -1.312 17.807 -3.869 1.00 3.41 H new ATOM 0 HE ARG A 119 -2.637 17.637 -1.256 1.00 41.22 H new ATOM 0 HH11 ARG A 119 -0.973 19.670 -3.559 1.00 34.50 H new ATOM 0 HH12 ARG A 119 -1.697 21.151 -2.923 1.00 34.50 H new ATOM 0 HH21 ARG A 119 -3.520 19.507 -0.472 1.00 41.34 H new ATOM 0 HH22 ARG A 119 -3.110 21.059 -1.210 1.00 41.34 H new ATOM 2017 N LEU A 120 -0.482 13.293 0.416 1.00 1.11 N ATOM 2018 CA LEU A 120 -0.610 12.507 1.650 1.00 5.42 C ATOM 2019 C LEU A 120 0.638 12.606 2.535 1.00 45.02 C ATOM 2020 O LEU A 120 0.527 12.822 3.736 1.00 15.41 O ATOM 2021 CB LEU A 120 -0.907 11.037 1.321 1.00 51.21 C ATOM 2022 CG LEU A 120 -2.258 10.781 0.632 1.00 74.02 C ATOM 2023 CD1 LEU A 120 -2.433 9.298 0.328 1.00 75.52 C ATOM 2024 CD2 LEU A 120 -3.414 11.296 1.490 1.00 22.34 C ATOM 0 H LEU A 120 -0.656 12.760 -0.436 1.00 1.11 H new ATOM 0 HA LEU A 120 -1.444 12.928 2.212 1.00 5.42 H new ATOM 0 HB2 LEU A 120 -0.112 10.657 0.679 1.00 51.21 H new ATOM 0 HB3 LEU A 120 -0.873 10.460 2.245 1.00 51.21 H new ATOM 0 HG LEU A 120 -2.267 11.328 -0.311 1.00 74.02 H new ATOM 0 HD11 LEU A 120 -3.395 9.137 -0.159 1.00 75.52 H new ATOM 0 HD12 LEU A 120 -1.632 8.965 -0.332 1.00 75.52 H new ATOM 0 HD13 LEU A 120 -2.398 8.729 1.257 1.00 75.52 H new ATOM 0 HD21 LEU A 120 -4.359 11.103 0.981 1.00 22.34 H new ATOM 0 HD22 LEU A 120 -3.409 10.784 2.452 1.00 22.34 H new ATOM 0 HD23 LEU A 120 -3.300 12.368 1.649 1.00 22.34 H new ATOM 2036 N ILE A 121 1.820 12.465 1.944 1.00 71.03 N ATOM 2037 CA ILE A 121 3.077 12.551 2.700 1.00 62.42 C ATOM 2038 C ILE A 121 3.155 13.851 3.525 1.00 22.42 C ATOM 2039 O ILE A 121 3.534 13.836 4.698 1.00 30.01 O ATOM 2040 CB ILE A 121 4.306 12.455 1.754 1.00 41.03 C ATOM 2041 CG1 ILE A 121 4.394 11.052 1.129 1.00 52.04 C ATOM 2042 CG2 ILE A 121 5.602 12.800 2.489 1.00 42.01 C ATOM 2043 CD1 ILE A 121 5.578 10.869 0.202 1.00 65.21 C ATOM 0 H ILE A 121 1.940 12.291 0.946 1.00 71.03 H new ATOM 0 HA ILE A 121 3.093 11.706 3.388 1.00 62.42 H new ATOM 0 HB ILE A 121 4.173 13.185 0.956 1.00 41.03 H new ATOM 0 HG12 ILE A 121 4.451 10.312 1.927 1.00 52.04 H new ATOM 0 HG13 ILE A 121 3.477 10.853 0.575 1.00 52.04 H new ATOM 0 HG21 ILE A 121 6.443 12.723 1.800 1.00 42.01 H new ATOM 0 HG22 ILE A 121 5.541 13.817 2.876 1.00 42.01 H new ATOM 0 HG23 ILE A 121 5.747 12.105 3.316 1.00 42.01 H new ATOM 0 HD11 ILE A 121 5.572 9.856 -0.200 1.00 65.21 H new ATOM 0 HD12 ILE A 121 5.512 11.585 -0.618 1.00 65.21 H new ATOM 0 HD13 ILE A 121 6.502 11.035 0.755 1.00 65.21 H new ATOM 2055 N ARG A 122 2.770 14.969 2.916 1.00 12.31 N ATOM 2056 CA ARG A 122 2.797 16.266 3.603 1.00 45.11 C ATOM 2057 C ARG A 122 1.681 16.380 4.658 1.00 50.11 C ATOM 2058 O ARG A 122 1.827 17.094 5.653 1.00 31.42 O ATOM 2059 CB ARG A 122 2.678 17.406 2.582 1.00 70.52 C ATOM 2060 CG ARG A 122 3.826 17.445 1.577 1.00 62.32 C ATOM 2061 CD ARG A 122 3.691 18.610 0.602 1.00 54.43 C ATOM 2062 NE ARG A 122 4.824 18.686 -0.319 1.00 71.01 N ATOM 2063 CZ ARG A 122 5.597 19.731 -0.455 1.00 13.34 C ATOM 2064 NH1 ARG A 122 5.392 20.804 0.238 1.00 0.14 N ATOM 2065 NH2 ARG A 122 6.583 19.698 -1.285 1.00 71.42 N ATOM 0 H ARG A 122 2.436 15.008 1.953 1.00 12.31 H new ATOM 0 HA ARG A 122 3.751 16.344 4.124 1.00 45.11 H new ATOM 0 HB2 ARG A 122 1.737 17.303 2.042 1.00 70.52 H new ATOM 0 HB3 ARG A 122 2.638 18.357 3.114 1.00 70.52 H new ATOM 0 HG2 ARG A 122 4.773 17.527 2.111 1.00 62.32 H new ATOM 0 HG3 ARG A 122 3.853 16.508 1.021 1.00 62.32 H new ATOM 0 HD2 ARG A 122 2.768 18.502 0.033 1.00 54.43 H new ATOM 0 HD3 ARG A 122 3.614 19.543 1.160 1.00 54.43 H new ATOM 0 HE ARG A 122 5.025 17.868 -0.894 1.00 71.01 H new ATOM 0 HH11 ARG A 122 4.618 20.842 0.902 1.00 0.14 H new ATOM 0 HH12 ARG A 122 6.004 21.612 0.121 1.00 0.14 H new ATOM 0 HH21 ARG A 122 6.759 18.857 -1.835 1.00 71.42 H new ATOM 0 HH22 ARG A 122 7.187 20.513 -1.392 1.00 71.42 H new ATOM 2079 N GLU A 123 0.575 15.669 4.440 1.00 13.14 N ATOM 2080 CA GLU A 123 -0.572 15.706 5.360 1.00 11.02 C ATOM 2081 C GLU A 123 -0.369 14.769 6.567 1.00 12.50 C ATOM 2082 O GLU A 123 -0.400 15.203 7.721 1.00 4.51 O ATOM 2083 CB GLU A 123 -1.858 15.314 4.614 1.00 24.31 C ATOM 2084 CG GLU A 123 -2.187 16.217 3.428 1.00 71.11 C ATOM 2085 CD GLU A 123 -3.492 15.836 2.740 1.00 11.41 C ATOM 2086 OE1 GLU A 123 -4.564 16.270 3.212 1.00 35.32 O ATOM 2087 OE2 GLU A 123 -3.454 15.108 1.726 1.00 64.30 O ATOM 0 H GLU A 123 0.445 15.058 3.634 1.00 13.14 H new ATOM 0 HA GLU A 123 -0.658 16.725 5.736 1.00 11.02 H new ATOM 0 HB2 GLU A 123 -1.762 14.287 4.260 1.00 24.31 H new ATOM 0 HB3 GLU A 123 -2.693 15.333 5.315 1.00 24.31 H new ATOM 0 HG2 GLU A 123 -2.250 17.250 3.770 1.00 71.11 H new ATOM 0 HG3 GLU A 123 -1.373 16.170 2.705 1.00 71.11 H new ATOM 2094 N VAL A 124 -0.141 13.485 6.286 1.00 53.30 N ATOM 2095 CA VAL A 124 -0.016 12.457 7.329 1.00 72.15 C ATOM 2096 C VAL A 124 1.278 12.608 8.151 1.00 35.04 C ATOM 2097 O VAL A 124 1.333 12.207 9.318 1.00 54.22 O ATOM 2098 CB VAL A 124 -0.075 11.028 6.719 1.00 11.05 C ATOM 2099 CG1 VAL A 124 1.171 10.724 5.883 1.00 51.42 C ATOM 2100 CG2 VAL A 124 -0.272 9.976 7.809 1.00 11.22 C ATOM 0 H VAL A 124 -0.038 13.127 5.337 1.00 53.30 H new ATOM 0 HA VAL A 124 -0.863 12.601 8.000 1.00 72.15 H new ATOM 0 HB VAL A 124 -0.936 10.990 6.052 1.00 11.05 H new ATOM 0 HG11 VAL A 124 1.097 9.717 5.472 1.00 51.42 H new ATOM 0 HG12 VAL A 124 1.247 11.444 5.068 1.00 51.42 H new ATOM 0 HG13 VAL A 124 2.058 10.794 6.513 1.00 51.42 H new ATOM 0 HG21 VAL A 124 -0.310 8.985 7.356 1.00 11.22 H new ATOM 0 HG22 VAL A 124 0.559 10.022 8.513 1.00 11.22 H new ATOM 0 HG23 VAL A 124 -1.206 10.169 8.337 1.00 11.22 H new ATOM 2110 N GLY A 125 2.323 13.167 7.541 1.00 15.31 N ATOM 2111 CA GLY A 125 3.578 13.396 8.254 1.00 20.33 C ATOM 2112 C GLY A 125 4.793 12.846 7.513 1.00 54.25 C ATOM 2113 O GLY A 125 5.024 11.635 7.498 1.00 54.22 O ATOM 0 H GLY A 125 2.326 13.466 6.566 1.00 15.31 H new ATOM 0 HA2 GLY A 125 3.710 14.466 8.412 1.00 20.33 H new ATOM 0 HA3 GLY A 125 3.520 12.933 9.239 1.00 20.33 H new ATOM 2117 N SER A 126 5.575 13.736 6.904 1.00 31.52 N ATOM 2118 CA SER A 126 6.761 13.334 6.133 1.00 51.43 C ATOM 2119 C SER A 126 7.980 13.102 7.035 1.00 52.41 C ATOM 2120 O SER A 126 7.898 13.206 8.262 1.00 15.12 O ATOM 2121 CB SER A 126 7.112 14.412 5.095 1.00 60.01 C ATOM 2122 OG SER A 126 7.646 15.571 5.714 1.00 15.34 O ATOM 0 H SER A 126 5.412 14.743 6.927 1.00 31.52 H new ATOM 0 HA SER A 126 6.514 12.396 5.635 1.00 51.43 H new ATOM 0 HB2 SER A 126 7.834 14.012 4.383 1.00 60.01 H new ATOM 0 HB3 SER A 126 6.220 14.678 4.529 1.00 60.01 H new ATOM 0 HG SER A 126 7.817 16.256 5.034 1.00 15.34 H new ATOM 2128 N LEU A 127 9.117 12.779 6.411 1.00 0.14 N ATOM 2129 CA LEU A 127 10.396 12.662 7.126 1.00 72.43 C ATOM 2130 C LEU A 127 10.783 14.005 7.774 1.00 22.35 C ATOM 2131 O LEU A 127 11.570 14.056 8.724 1.00 13.52 O ATOM 2132 CB LEU A 127 11.517 12.187 6.176 1.00 65.05 C ATOM 2133 CG LEU A 127 11.996 13.207 5.117 1.00 51.34 C ATOM 2134 CD1 LEU A 127 13.205 12.670 4.358 1.00 53.01 C ATOM 2135 CD2 LEU A 127 10.877 13.568 4.140 1.00 32.04 C ATOM 0 H LEU A 127 9.180 12.593 5.410 1.00 0.14 H new ATOM 0 HA LEU A 127 10.272 11.918 7.913 1.00 72.43 H new ATOM 0 HB2 LEU A 127 12.375 11.892 6.780 1.00 65.05 H new ATOM 0 HB3 LEU A 127 11.170 11.293 5.658 1.00 65.05 H new ATOM 0 HG LEU A 127 12.287 14.114 5.646 1.00 51.34 H new ATOM 0 HD11 LEU A 127 13.525 13.404 3.618 1.00 53.01 H new ATOM 0 HD12 LEU A 127 14.019 12.481 5.058 1.00 53.01 H new ATOM 0 HD13 LEU A 127 12.936 11.741 3.855 1.00 53.01 H new ATOM 0 HD21 LEU A 127 11.249 14.287 3.410 1.00 32.04 H new ATOM 0 HD22 LEU A 127 10.540 12.669 3.625 1.00 32.04 H new ATOM 0 HD23 LEU A 127 10.043 14.006 4.688 1.00 32.04 H new ATOM 2147 N GLU A 128 10.223 15.090 7.242 1.00 25.23 N ATOM 2148 CA GLU A 128 10.394 16.422 7.812 1.00 2.04 C ATOM 2149 C GLU A 128 9.452 16.587 9.015 1.00 60.30 C ATOM 2150 O GLU A 128 8.252 16.805 8.856 1.00 75.22 O ATOM 2151 CB GLU A 128 10.114 17.477 6.729 1.00 12.04 C ATOM 2152 CG GLU A 128 10.260 18.922 7.192 1.00 43.23 C ATOM 2153 CD GLU A 128 10.046 19.910 6.053 1.00 44.45 C ATOM 2154 OE1 GLU A 128 8.882 20.110 5.643 1.00 31.35 O ATOM 2155 OE2 GLU A 128 11.039 20.480 5.556 1.00 41.12 O ATOM 0 H GLU A 128 9.640 15.069 6.406 1.00 25.23 H new ATOM 0 HA GLU A 128 11.417 16.556 8.162 1.00 2.04 H new ATOM 0 HB2 GLU A 128 10.792 17.308 5.893 1.00 12.04 H new ATOM 0 HB3 GLU A 128 9.101 17.331 6.353 1.00 12.04 H new ATOM 0 HG2 GLU A 128 9.541 19.123 7.986 1.00 43.23 H new ATOM 0 HG3 GLU A 128 11.253 19.068 7.617 1.00 43.23 H new ATOM 2162 N HIS A 129 10.000 16.457 10.221 1.00 34.22 N ATOM 2163 CA HIS A 129 9.180 16.406 11.442 1.00 42.31 C ATOM 2164 C HIS A 129 8.526 17.762 11.775 1.00 2.34 C ATOM 2165 O HIS A 129 7.547 17.814 12.522 1.00 53.41 O ATOM 2166 CB HIS A 129 10.023 15.921 12.629 1.00 24.12 C ATOM 2167 CG HIS A 129 10.695 14.600 12.390 1.00 71.42 C ATOM 2168 ND1 HIS A 129 10.009 13.408 12.283 1.00 70.44 N ATOM 2169 CD2 HIS A 129 12.001 14.288 12.220 1.00 23.24 C ATOM 2170 CE1 HIS A 129 10.860 12.429 12.058 1.00 62.54 C ATOM 2171 NE2 HIS A 129 12.075 12.933 12.013 1.00 53.01 N ATOM 0 H HIS A 129 11.004 16.385 10.385 1.00 34.22 H new ATOM 0 HA HIS A 129 8.373 15.698 11.253 1.00 42.31 H new ATOM 0 HB2 HIS A 129 10.782 16.670 12.854 1.00 24.12 H new ATOM 0 HB3 HIS A 129 9.384 15.840 13.508 1.00 24.12 H new ATOM 0 HD2 HIS A 129 12.832 14.978 12.243 1.00 23.24 H new ATOM 0 HE1 HIS A 129 10.604 11.387 11.932 1.00 62.54 H new ATOM 0 HE2 HIS A 129 12.932 12.403 11.851 1.00 53.01 H new ATOM 2180 N HIS A 130 9.072 18.848 11.222 1.00 64.23 N ATOM 2181 CA HIS A 130 8.541 20.210 11.437 1.00 24.00 C ATOM 2182 C HIS A 130 8.634 20.637 12.914 1.00 0.42 C ATOM 2183 O HIS A 130 9.530 21.391 13.297 1.00 2.12 O ATOM 2184 CB HIS A 130 7.082 20.319 10.956 1.00 22.13 C ATOM 2185 CG HIS A 130 6.898 20.022 9.499 1.00 11.32 C ATOM 2186 ND1 HIS A 130 6.435 18.814 9.028 1.00 51.11 N ATOM 2187 CD2 HIS A 130 7.106 20.789 8.404 1.00 64.34 C ATOM 2188 CE1 HIS A 130 6.369 18.850 7.715 1.00 13.20 C ATOM 2189 NE2 HIS A 130 6.771 20.036 7.307 1.00 40.41 N ATOM 0 H HIS A 130 9.891 18.816 10.614 1.00 64.23 H new ATOM 0 HA HIS A 130 9.162 20.885 10.848 1.00 24.00 H new ATOM 0 HB2 HIS A 130 6.466 19.632 11.537 1.00 22.13 H new ATOM 0 HB3 HIS A 130 6.717 21.326 11.160 1.00 22.13 H new ATOM 0 HD2 HIS A 130 7.469 21.806 8.395 1.00 64.34 H new ATOM 0 HE1 HIS A 130 6.040 18.042 7.078 1.00 13.20 H new ATOM 0 HE2 HIS A 130 6.824 20.344 6.336 1.00 40.41 H new ATOM 2198 N HIS A 131 7.705 20.146 13.738 1.00 23.45 N ATOM 2199 CA HIS A 131 7.665 20.499 15.163 1.00 10.21 C ATOM 2200 C HIS A 131 8.931 20.036 15.907 1.00 50.33 C ATOM 2201 O HIS A 131 9.048 18.879 16.315 1.00 32.10 O ATOM 2202 CB HIS A 131 6.398 19.933 15.832 1.00 70.41 C ATOM 2203 CG HIS A 131 6.126 18.482 15.540 1.00 3.12 C ATOM 2204 ND1 HIS A 131 6.822 17.447 16.128 1.00 2.14 N ATOM 2205 CD2 HIS A 131 5.218 17.894 14.722 1.00 73.30 C ATOM 2206 CE1 HIS A 131 6.355 16.295 15.689 1.00 22.31 C ATOM 2207 NE2 HIS A 131 5.381 16.536 14.837 1.00 53.24 N ATOM 0 H HIS A 131 6.970 19.503 13.445 1.00 23.45 H new ATOM 0 HA HIS A 131 7.633 21.587 15.226 1.00 10.21 H new ATOM 0 HB2 HIS A 131 6.485 20.062 16.911 1.00 70.41 H new ATOM 0 HB3 HIS A 131 5.539 20.522 15.509 1.00 70.41 H new ATOM 0 HD1 HIS A 131 7.582 17.556 16.800 1.00 2.14 H new ATOM 0 HD2 HIS A 131 4.499 18.401 14.095 1.00 73.30 H new ATOM 0 HE1 HIS A 131 6.712 15.318 15.980 1.00 22.31 H new ATOM 2216 N HIS A 132 9.876 20.956 16.070 1.00 64.44 N ATOM 2217 CA HIS A 132 11.142 20.674 16.757 1.00 11.12 C ATOM 2218 C HIS A 132 11.201 21.375 18.125 1.00 12.01 C ATOM 2219 O HIS A 132 10.651 22.463 18.300 1.00 61.13 O ATOM 2220 CB HIS A 132 12.328 21.119 15.885 1.00 32.43 C ATOM 2221 CG HIS A 132 12.251 22.551 15.445 1.00 44.04 C ATOM 2222 ND1 HIS A 132 12.687 23.603 16.219 1.00 50.33 N ATOM 2223 CD2 HIS A 132 11.771 23.105 14.307 1.00 73.04 C ATOM 2224 CE1 HIS A 132 12.475 24.735 15.582 1.00 44.13 C ATOM 2225 NE2 HIS A 132 11.922 24.463 14.420 1.00 75.41 N ATOM 0 H HIS A 132 9.792 21.915 15.733 1.00 64.44 H new ATOM 0 HA HIS A 132 11.203 19.599 16.924 1.00 11.12 H new ATOM 0 HB2 HIS A 132 13.253 20.969 16.442 1.00 32.43 H new ATOM 0 HB3 HIS A 132 12.379 20.480 15.004 1.00 32.43 H new ATOM 0 HD1 HIS A 132 13.109 23.518 17.144 1.00 50.33 H new ATOM 0 HD2 HIS A 132 11.348 22.576 13.466 1.00 73.04 H new ATOM 0 HE1 HIS A 132 12.715 25.721 15.951 1.00 44.13 H new ATOM 2234 N HIS A 133 11.870 20.749 19.089 1.00 73.44 N ATOM 2235 CA HIS A 133 12.019 21.326 20.434 1.00 2.23 C ATOM 2236 C HIS A 133 13.195 22.316 20.488 1.00 24.33 C ATOM 2237 O HIS A 133 13.187 23.271 21.267 1.00 22.34 O ATOM 2238 CB HIS A 133 12.218 20.212 21.472 1.00 14.41 C ATOM 2239 CG HIS A 133 11.017 19.334 21.668 1.00 60.12 C ATOM 2240 ND1 HIS A 133 10.544 18.981 22.911 1.00 15.11 N ATOM 2241 CD2 HIS A 133 10.208 18.713 20.776 1.00 33.41 C ATOM 2242 CE1 HIS A 133 9.504 18.188 22.778 1.00 10.33 C ATOM 2243 NE2 HIS A 133 9.278 18.006 21.493 1.00 13.14 N ATOM 0 H HIS A 133 12.320 19.841 18.970 1.00 73.44 H new ATOM 0 HA HIS A 133 11.105 21.872 20.668 1.00 2.23 H new ATOM 0 HB2 HIS A 133 13.061 19.593 21.167 1.00 14.41 H new ATOM 0 HB3 HIS A 133 12.484 20.664 22.428 1.00 14.41 H new ATOM 0 HD2 HIS A 133 10.282 18.765 19.700 1.00 33.41 H new ATOM 0 HE1 HIS A 133 8.931 17.758 23.586 1.00 10.33 H new ATOM 0 HE2 HIS A 133 8.533 17.433 21.097 1.00 13.14 H new ATOM 2252 N HIS A 134 14.206 22.070 19.661 1.00 63.45 N ATOM 2253 CA HIS A 134 15.384 22.942 19.576 1.00 54.45 C ATOM 2254 C HIS A 134 15.087 24.212 18.748 1.00 25.22 C ATOM 2255 O HIS A 134 15.025 24.115 17.503 1.00 36.60 O ATOM 2256 CB HIS A 134 16.558 22.159 18.967 1.00 34.22 C ATOM 2257 CG HIS A 134 17.780 22.988 18.710 1.00 62.20 C ATOM 2258 ND1 HIS A 134 18.645 23.389 19.704 1.00 40.24 N ATOM 2259 CD2 HIS A 134 18.283 23.489 17.556 1.00 73.02 C ATOM 2260 CE1 HIS A 134 19.624 24.096 19.176 1.00 21.32 C ATOM 2261 NE2 HIS A 134 19.429 24.172 17.874 1.00 24.25 N ATOM 2262 OXT HIS A 134 14.933 25.300 19.345 1.00 36.60 O ATOM 0 H HIS A 134 14.237 21.267 19.032 1.00 63.45 H new ATOM 0 HA HIS A 134 15.650 23.266 20.582 1.00 54.45 H new ATOM 0 HB2 HIS A 134 16.822 21.341 19.637 1.00 34.22 H new ATOM 0 HB3 HIS A 134 16.233 21.710 18.029 1.00 34.22 H new ATOM 0 HD2 HIS A 134 17.860 23.372 16.569 1.00 73.02 H new ATOM 0 HE1 HIS A 134 20.447 24.538 19.718 1.00 21.32 H new ATOM 0 HE2 HIS A 134 20.032 24.659 17.211 1.00 24.25 H new TER 2271 HIS A 134