USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 784 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 108 LYS NZ :NH3+ -173:sc= -0.0705 (180deg=0) USER MOD Set 1.2: A 112 GLN :FLIP amide:sc= -0.257 F(o=-1.3!,f=-0.33) USER MOD Set 2.1: A 101 SER OG : rot 110:sc= 0.919 USER MOD Set 2.2: A 103 LYS NZ :NH3+ 139:sc= 1.06 (180deg=-0.158) USER MOD Set 3.1: A 92 SER OG : rot -120:sc= 1.09 USER MOD Set 3.2: A 114 LYS NZ :NH3+ 156:sc= 2.38 (180deg=1.14) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= -2.34! (180deg=-3.59!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 166:sc= -4.61! (180deg=-5.56!) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 1.29 (180deg=1.08) USER MOD Single : A 36 MET CE :methyl -160:sc= -0.0829 (180deg=-0.566) USER MOD Single : A 38 ASN :FLIP amide:sc=-0.00641 F(o=-0.95,f=-0.0064) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 42 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.4!) USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.02) USER MOD Single : A 51 TYR OH : rot 61:sc= 0.498 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.909 K(o=0.91,f=-1.5!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0791 F(o=-1.2!,f=-0.079) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.434 USER MOD Single : A 69 ASN : amide:sc= 1.25 K(o=1.3,f=-1.3) USER MOD Single : A 71 LYS NZ :NH3+ -163:sc= 1.22 (180deg=0.827) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= -0.026 (180deg=-0.208) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.09 K(o=-2.1,f=-2.6!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 71:sc= 0.17 USER MOD Single : A 105 ASN : amide:sc= -1.57 K(o=-1.6,f=-9.6!) USER MOD Single : A 107 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -168:sc= -0.0265 (180deg=-0.208) USER MOD ----------------------------------------------------------------- ATOM 39 N ASN A 19 -15.358 -0.625 6.826 1.00 0.00 N ATOM 40 CA ASN A 19 -14.295 0.220 7.354 1.00 0.00 C ATOM 41 C ASN A 19 -12.953 -0.504 7.297 1.00 0.00 C ATOM 42 O ASN A 19 -12.878 -1.723 7.470 1.00 0.00 O ATOM 43 CB ASN A 19 -14.589 0.639 8.797 1.00 0.00 C ATOM 44 CG ASN A 19 -15.848 1.474 8.930 1.00 0.00 C ATOM 45 OD1 ASN A 19 -15.819 2.693 8.764 1.00 0.00 O ATOM 46 ND2 ASN A 19 -16.958 0.829 9.256 1.00 0.00 N ATOM 0 HA ASN A 19 -14.247 1.114 6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.685 -0.253 9.416 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.742 1.205 9.184 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.830 1.344 9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.941 -0.183 9.385 1.00 0.00 H new ATOM 53 N PRO A 20 -11.871 0.257 7.074 1.00 0.00 N ATOM 54 CA PRO A 20 -10.536 -0.295 6.859 1.00 0.00 C ATOM 55 C PRO A 20 -9.941 -0.899 8.124 1.00 0.00 C ATOM 56 O PRO A 20 -9.004 -1.692 8.063 1.00 0.00 O ATOM 57 CB PRO A 20 -9.691 0.896 6.399 1.00 0.00 C ATOM 58 CG PRO A 20 -10.591 2.086 6.363 1.00 0.00 C ATOM 59 CD PRO A 20 -11.873 1.722 7.048 1.00 0.00 C ATOM 0 HA PRO A 20 -10.567 -1.108 6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.858 1.064 7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.263 0.707 5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.121 2.934 6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.782 2.387 5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.917 2.137 8.055 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.736 2.108 6.506 1.00 0.00 H new ATOM 67 N GLU A 21 -10.494 -0.517 9.267 1.00 0.00 N ATOM 68 CA GLU A 21 -10.023 -1.011 10.557 1.00 0.00 C ATOM 69 C GLU A 21 -10.310 -2.495 10.702 1.00 0.00 C ATOM 70 O GLU A 21 -9.607 -3.208 11.416 1.00 0.00 O ATOM 71 CB GLU A 21 -10.710 -0.265 11.692 1.00 0.00 C ATOM 72 CG GLU A 21 -10.798 1.222 11.460 1.00 0.00 C ATOM 73 CD GLU A 21 -11.391 1.955 12.642 1.00 0.00 C ATOM 74 OE1 GLU A 21 -10.748 1.976 13.713 1.00 0.00 O ATOM 75 OE2 GLU A 21 -12.501 2.508 12.506 1.00 0.00 O ATOM 0 H GLU A 21 -11.274 0.137 9.329 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.947 -0.845 10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.715 -0.665 11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.168 -0.450 12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.802 1.615 11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.405 1.414 10.575 1.00 0.00 H new ATOM 82 N ASP A 22 -11.356 -2.943 10.031 1.00 0.00 N ATOM 83 CA ASP A 22 -11.783 -4.338 10.111 1.00 0.00 C ATOM 84 C ASP A 22 -10.894 -5.250 9.267 1.00 0.00 C ATOM 85 O ASP A 22 -11.008 -6.475 9.331 1.00 0.00 O ATOM 86 CB ASP A 22 -13.243 -4.479 9.678 1.00 0.00 C ATOM 87 CG ASP A 22 -14.203 -3.852 10.668 1.00 0.00 C ATOM 88 OD1 ASP A 22 -14.564 -4.521 11.661 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.598 -2.687 10.463 1.00 0.00 O ATOM 0 H ASP A 22 -11.931 -2.362 9.421 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.689 -4.649 11.152 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.376 -4.012 8.702 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.484 -5.536 9.562 1.00 0.00 H new ATOM 94 N PHE A 23 -10.004 -4.653 8.487 1.00 0.00 N ATOM 95 CA PHE A 23 -9.068 -5.412 7.669 1.00 0.00 C ATOM 96 C PHE A 23 -7.891 -5.876 8.516 1.00 0.00 C ATOM 97 O PHE A 23 -7.488 -5.197 9.461 1.00 0.00 O ATOM 98 CB PHE A 23 -8.555 -4.555 6.507 1.00 0.00 C ATOM 99 CG PHE A 23 -9.566 -4.312 5.421 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.665 -3.500 5.640 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.405 -4.890 4.171 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.584 -3.268 4.637 1.00 0.00 C ATOM 103 CE2 PHE A 23 -10.322 -4.663 3.164 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.414 -3.850 3.397 1.00 0.00 C ATOM 0 H PHE A 23 -9.910 -3.641 8.403 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.589 -6.281 7.266 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.223 -3.594 6.899 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.682 -5.040 6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.805 -3.042 6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.552 -5.525 3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.436 -2.631 4.822 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.186 -5.121 2.195 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.133 -3.670 2.611 1.00 0.00 H new ATOM 114 N LYS A 24 -7.342 -7.032 8.171 1.00 0.00 N ATOM 115 CA LYS A 24 -6.170 -7.561 8.857 1.00 0.00 C ATOM 116 C LYS A 24 -4.962 -6.689 8.566 1.00 0.00 C ATOM 117 O LYS A 24 -4.065 -6.547 9.396 1.00 0.00 O ATOM 118 CB LYS A 24 -5.867 -8.998 8.420 1.00 0.00 C ATOM 119 CG LYS A 24 -6.410 -10.067 9.357 1.00 0.00 C ATOM 120 CD LYS A 24 -7.908 -10.268 9.202 1.00 0.00 C ATOM 121 CE LYS A 24 -8.239 -10.983 7.902 1.00 0.00 C ATOM 122 NZ LYS A 24 -9.682 -11.322 7.809 1.00 0.00 N ATOM 0 H LYS A 24 -7.691 -7.624 7.417 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.384 -7.561 9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.284 -9.158 7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.787 -9.120 8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.898 -11.010 9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.188 -9.789 10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.288 -10.846 10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.411 -9.301 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.959 -10.351 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.646 -11.895 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.867 -11.808 6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.944 -11.945 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.247 -10.450 7.854 1.00 0.00 H new ATOM 136 N VAL A 25 -4.951 -6.098 7.376 1.00 0.00 N ATOM 137 CA VAL A 25 -3.838 -5.278 6.945 1.00 0.00 C ATOM 138 C VAL A 25 -3.745 -3.990 7.754 1.00 0.00 C ATOM 139 O VAL A 25 -2.712 -3.340 7.753 1.00 0.00 O ATOM 140 CB VAL A 25 -3.937 -4.920 5.445 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.443 -6.099 4.642 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.819 -3.703 5.219 1.00 0.00 C ATOM 0 H VAL A 25 -5.706 -6.176 6.695 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.940 -5.873 7.111 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.933 -4.672 5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.504 -5.823 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.758 -6.939 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.432 -6.386 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.866 -3.480 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.823 -3.907 5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.402 -2.848 5.750 1.00 0.00 H new ATOM 152 N PHE A 26 -4.821 -3.635 8.448 1.00 0.00 N ATOM 153 CA PHE A 26 -4.862 -2.393 9.213 1.00 0.00 C ATOM 154 C PHE A 26 -3.679 -2.315 10.178 1.00 0.00 C ATOM 155 O PHE A 26 -2.870 -1.393 10.114 1.00 0.00 O ATOM 156 CB PHE A 26 -6.183 -2.287 9.979 1.00 0.00 C ATOM 157 CG PHE A 26 -6.345 -1.002 10.740 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.653 0.177 10.077 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.190 -0.971 12.116 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.803 1.360 10.775 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.339 0.210 12.817 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.646 1.376 12.145 1.00 0.00 C ATOM 0 H PHE A 26 -5.676 -4.189 8.497 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.792 -1.556 8.518 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.009 -2.387 9.275 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.255 -3.122 10.676 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.777 0.170 9.004 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.950 -1.880 12.647 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.043 2.272 10.248 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.215 0.221 13.890 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.763 2.300 12.692 1.00 0.00 H new ATOM 172 N LYS A 27 -3.565 -3.312 11.044 1.00 0.00 N ATOM 173 CA LYS A 27 -2.510 -3.348 12.048 1.00 0.00 C ATOM 174 C LYS A 27 -1.151 -3.595 11.396 1.00 0.00 C ATOM 175 O LYS A 27 -0.132 -3.077 11.851 1.00 0.00 O ATOM 176 CB LYS A 27 -2.836 -4.431 13.074 1.00 0.00 C ATOM 177 CG LYS A 27 -2.495 -4.052 14.509 1.00 0.00 C ATOM 178 CD LYS A 27 -1.002 -4.090 14.785 1.00 0.00 C ATOM 179 CE LYS A 27 -0.397 -5.403 14.328 1.00 0.00 C ATOM 180 NZ LYS A 27 0.990 -5.590 14.825 1.00 0.00 N ATOM 0 H LYS A 27 -4.196 -4.113 11.071 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.455 -2.384 12.554 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.899 -4.665 13.014 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.295 -5.340 12.811 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.873 -3.051 14.716 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.004 -4.733 15.191 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.513 -3.262 14.272 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.822 -3.955 15.852 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.019 -6.227 14.676 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.398 -5.441 13.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.564 -6.046 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.402 -4.665 15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.977 -6.190 15.674 1.00 0.00 H new ATOM 194 N TYR A 28 -1.142 -4.363 10.316 1.00 0.00 N ATOM 195 CA TYR A 28 0.100 -4.670 9.616 1.00 0.00 C ATOM 196 C TYR A 28 0.659 -3.445 8.903 1.00 0.00 C ATOM 197 O TYR A 28 1.846 -3.157 8.996 1.00 0.00 O ATOM 198 CB TYR A 28 -0.105 -5.793 8.607 1.00 0.00 C ATOM 199 CG TYR A 28 -0.081 -7.175 9.211 1.00 0.00 C ATOM 200 CD1 TYR A 28 -1.223 -7.751 9.748 1.00 0.00 C ATOM 201 CD2 TYR A 28 1.097 -7.904 9.235 1.00 0.00 C ATOM 202 CE1 TYR A 28 -1.187 -9.019 10.294 1.00 0.00 C ATOM 203 CE2 TYR A 28 1.142 -9.170 9.774 1.00 0.00 C ATOM 204 CZ TYR A 28 -0.002 -9.724 10.303 1.00 0.00 C ATOM 205 OH TYR A 28 0.042 -10.985 10.848 1.00 0.00 O ATOM 0 H TYR A 28 -1.976 -4.784 9.906 1.00 0.00 H new ATOM 0 HA TYR A 28 0.818 -4.992 10.370 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.060 -5.645 8.103 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.671 -5.728 7.844 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.152 -7.201 9.739 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.997 -7.471 8.823 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.082 -9.456 10.712 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.069 -9.725 9.782 1.00 0.00 H new ATOM 0 HH TYR A 28 0.951 -11.342 10.773 1.00 0.00 H new ATOM 215 N MET A 29 -0.189 -2.722 8.191 1.00 0.00 N ATOM 216 CA MET A 29 0.257 -1.539 7.471 1.00 0.00 C ATOM 217 C MET A 29 0.567 -0.410 8.444 1.00 0.00 C ATOM 218 O MET A 29 1.386 0.463 8.160 1.00 0.00 O ATOM 219 CB MET A 29 -0.781 -1.092 6.438 1.00 0.00 C ATOM 220 CG MET A 29 -1.124 -2.175 5.427 1.00 0.00 C ATOM 221 SD MET A 29 -2.000 -1.540 3.989 1.00 0.00 S ATOM 222 CE MET A 29 -0.748 -0.458 3.310 1.00 0.00 C ATOM 0 H MET A 29 -1.183 -2.930 8.096 1.00 0.00 H new ATOM 0 HA MET A 29 1.170 -1.797 6.934 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.690 -0.785 6.955 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.404 -0.216 5.909 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.206 -2.664 5.100 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.735 -2.936 5.911 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.023 -0.176 2.294 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.668 0.438 3.926 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.211 -0.975 3.296 1.00 0.00 H new ATOM 232 N LYS A 30 -0.078 -0.441 9.602 1.00 0.00 N ATOM 233 CA LYS A 30 0.206 0.529 10.648 1.00 0.00 C ATOM 234 C LYS A 30 1.597 0.315 11.230 1.00 0.00 C ATOM 235 O LYS A 30 2.293 1.277 11.553 1.00 0.00 O ATOM 236 CB LYS A 30 -0.857 0.475 11.750 1.00 0.00 C ATOM 237 CG LYS A 30 -2.106 1.298 11.442 1.00 0.00 C ATOM 238 CD LYS A 30 -1.781 2.751 11.116 1.00 0.00 C ATOM 239 CE LYS A 30 -1.137 3.457 12.293 1.00 0.00 C ATOM 240 NZ LYS A 30 -0.804 4.874 11.985 1.00 0.00 N ATOM 0 H LYS A 30 -0.798 -1.124 9.839 1.00 0.00 H new ATOM 0 HA LYS A 30 0.177 1.521 10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.148 -0.563 11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.419 0.832 12.682 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.634 0.850 10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.781 1.263 12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.112 2.791 10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.694 3.274 10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.811 3.422 13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.229 2.926 12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.724 5.412 12.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.100 4.915 11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.555 5.287 11.396 1.00 0.00 H new ATOM 254 N ILE A 31 2.018 -0.936 11.353 1.00 0.00 N ATOM 255 CA ILE A 31 3.366 -1.214 11.822 1.00 0.00 C ATOM 256 C ILE A 31 4.354 -1.124 10.665 1.00 0.00 C ATOM 257 O ILE A 31 5.522 -0.832 10.871 1.00 0.00 O ATOM 258 CB ILE A 31 3.490 -2.582 12.526 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.291 -3.732 11.537 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.488 -2.668 13.667 1.00 0.00 C ATOM 261 CD1 ILE A 31 3.325 -5.103 12.177 1.00 0.00 C ATOM 0 H ILE A 31 1.457 -1.760 11.139 1.00 0.00 H new ATOM 0 HA ILE A 31 3.603 -0.455 12.568 1.00 0.00 H new ATOM 0 HB ILE A 31 4.497 -2.672 12.934 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.335 -3.602 11.031 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.066 -3.679 10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.580 -3.636 14.160 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.687 -1.874 14.386 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.478 -2.556 13.273 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.177 -5.865 11.412 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.291 -5.256 12.659 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.532 -5.177 12.921 1.00 0.00 H new ATOM 273 N LEU A 32 3.866 -1.371 9.449 1.00 0.00 N ATOM 274 CA LEU A 32 4.644 -1.152 8.229 1.00 0.00 C ATOM 275 C LEU A 32 5.158 0.282 8.229 1.00 0.00 C ATOM 276 O LEU A 32 6.350 0.535 8.037 1.00 0.00 O ATOM 277 CB LEU A 32 3.746 -1.408 7.005 1.00 0.00 C ATOM 278 CG LEU A 32 4.431 -1.505 5.631 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.444 -2.023 4.600 1.00 0.00 C ATOM 280 CD2 LEU A 32 4.971 -0.159 5.174 1.00 0.00 C ATOM 0 H LEU A 32 2.925 -1.727 9.282 1.00 0.00 H new ATOM 0 HA LEU A 32 5.493 -1.835 8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.201 -2.336 7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.007 -0.609 6.957 1.00 0.00 H new ATOM 0 HG LEU A 32 5.270 -2.193 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.934 -2.090 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.092 -3.011 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.597 -1.341 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.447 -0.270 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.151 0.555 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.702 0.204 5.896 1.00 0.00 H new ATOM 292 N GLU A 33 4.223 1.199 8.462 1.00 0.00 N ATOM 293 CA GLU A 33 4.494 2.621 8.583 1.00 0.00 C ATOM 294 C GLU A 33 5.729 2.888 9.431 1.00 0.00 C ATOM 295 O GLU A 33 6.669 3.558 8.999 1.00 0.00 O ATOM 296 CB GLU A 33 3.283 3.273 9.232 1.00 0.00 C ATOM 297 CG GLU A 33 3.068 4.704 8.822 1.00 0.00 C ATOM 298 CD GLU A 33 1.803 5.294 9.403 1.00 0.00 C ATOM 299 OE1 GLU A 33 1.577 5.156 10.627 1.00 0.00 O ATOM 300 OE2 GLU A 33 1.028 5.905 8.641 1.00 0.00 O ATOM 0 H GLU A 33 3.236 0.965 8.574 1.00 0.00 H new ATOM 0 HA GLU A 33 4.682 3.033 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.393 2.696 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.396 3.229 10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.922 5.301 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.026 4.764 7.734 1.00 0.00 H new ATOM 307 N GLU A 34 5.716 2.358 10.639 1.00 0.00 N ATOM 308 CA GLU A 34 6.822 2.531 11.559 1.00 0.00 C ATOM 309 C GLU A 34 8.046 1.734 11.118 1.00 0.00 C ATOM 310 O GLU A 34 9.121 2.293 10.945 1.00 0.00 O ATOM 311 CB GLU A 34 6.399 2.110 12.967 1.00 0.00 C ATOM 312 CG GLU A 34 7.565 1.930 13.923 1.00 0.00 C ATOM 313 CD GLU A 34 7.116 1.657 15.340 1.00 0.00 C ATOM 314 OE1 GLU A 34 6.844 2.626 16.077 1.00 0.00 O ATOM 315 OE2 GLU A 34 7.034 0.473 15.725 1.00 0.00 O ATOM 0 H GLU A 34 4.945 1.800 11.007 1.00 0.00 H new ATOM 0 HA GLU A 34 7.095 3.586 11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.720 2.860 13.373 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.842 1.175 12.906 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.189 1.106 13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.184 2.827 13.908 1.00 0.00 H new ATOM 322 N ALA A 35 7.848 0.441 10.898 1.00 0.00 N ATOM 323 CA ALA A 35 8.939 -0.515 10.727 1.00 0.00 C ATOM 324 C ALA A 35 9.874 -0.162 9.572 1.00 0.00 C ATOM 325 O ALA A 35 11.091 -0.301 9.700 1.00 0.00 O ATOM 326 CB ALA A 35 8.372 -1.913 10.548 1.00 0.00 C ATOM 0 H ALA A 35 6.921 0.021 10.832 1.00 0.00 H new ATOM 0 HA ALA A 35 9.546 -0.474 11.631 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.189 -2.623 10.421 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.789 -2.185 11.428 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.731 -1.936 9.667 1.00 0.00 H new ATOM 332 N MET A 36 9.312 0.302 8.459 1.00 0.00 N ATOM 333 CA MET A 36 10.114 0.665 7.290 1.00 0.00 C ATOM 334 C MET A 36 11.162 1.714 7.642 1.00 0.00 C ATOM 335 O MET A 36 12.315 1.626 7.220 1.00 0.00 O ATOM 336 CB MET A 36 9.216 1.195 6.175 1.00 0.00 C ATOM 337 CG MET A 36 8.290 0.151 5.588 1.00 0.00 C ATOM 338 SD MET A 36 9.148 -1.079 4.583 1.00 0.00 S ATOM 339 CE MET A 36 9.662 -0.079 3.188 1.00 0.00 C ATOM 0 H MET A 36 8.308 0.436 8.340 1.00 0.00 H new ATOM 0 HA MET A 36 10.626 -0.234 6.948 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.619 2.020 6.563 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.841 1.601 5.380 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.764 -0.354 6.398 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.535 0.647 4.978 1.00 0.00 H new ATOM 0 HE1 MET A 36 9.879 -0.725 2.337 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.863 0.614 2.923 1.00 0.00 H new ATOM 0 HE3 MET A 36 10.557 0.484 3.454 1.00 0.00 H new ATOM 349 N GLU A 37 10.753 2.711 8.412 1.00 0.00 N ATOM 350 CA GLU A 37 11.656 3.782 8.811 1.00 0.00 C ATOM 351 C GLU A 37 12.332 3.438 10.142 1.00 0.00 C ATOM 352 O GLU A 37 13.367 3.996 10.490 1.00 0.00 O ATOM 353 CB GLU A 37 10.872 5.099 8.902 1.00 0.00 C ATOM 354 CG GLU A 37 11.730 6.359 8.864 1.00 0.00 C ATOM 355 CD GLU A 37 12.365 6.693 10.196 1.00 0.00 C ATOM 356 OE1 GLU A 37 11.683 6.562 11.238 1.00 0.00 O ATOM 357 OE2 GLU A 37 13.550 7.083 10.208 1.00 0.00 O ATOM 0 H GLU A 37 9.803 2.802 8.773 1.00 0.00 H new ATOM 0 HA GLU A 37 12.442 3.898 8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.158 5.138 8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.294 5.098 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.514 6.234 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.115 7.199 8.542 1.00 0.00 H new ATOM 364 N ASN A 38 11.749 2.482 10.859 1.00 0.00 N ATOM 365 CA ASN A 38 12.211 2.106 12.198 1.00 0.00 C ATOM 366 C ASN A 38 13.610 1.510 12.145 1.00 0.00 C ATOM 367 O ASN A 38 14.330 1.499 13.143 1.00 0.00 O ATOM 368 CB ASN A 38 11.235 1.104 12.824 1.00 0.00 C ATOM 369 CG ASN A 38 11.512 0.802 14.288 1.00 0.00 C ATOM 370 OD1 ASN A 38 12.032 1.774 15.023 1.00 0.00 O flip ATOM 371 ND2 ASN A 38 11.238 -0.300 14.760 1.00 0.00 N flip ATOM 0 H ASN A 38 10.945 1.946 10.533 1.00 0.00 H new ATOM 0 HA ASN A 38 12.248 3.005 12.813 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.221 1.493 12.730 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.273 0.173 12.258 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.839 -1.025 14.164 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.410 -0.489 15.747 1.00 0.00 H new ATOM 378 N ASP A 39 13.988 1.002 10.981 1.00 0.00 N ATOM 379 CA ASP A 39 15.350 0.547 10.767 1.00 0.00 C ATOM 380 C ASP A 39 16.304 1.711 10.992 1.00 0.00 C ATOM 381 O ASP A 39 16.101 2.806 10.467 1.00 0.00 O ATOM 382 CB ASP A 39 15.525 -0.011 9.356 1.00 0.00 C ATOM 383 CG ASP A 39 16.926 -0.539 9.126 1.00 0.00 C ATOM 384 OD1 ASP A 39 17.184 -1.714 9.462 1.00 0.00 O ATOM 385 OD2 ASP A 39 17.779 0.224 8.629 1.00 0.00 O ATOM 0 H ASP A 39 13.372 0.896 10.175 1.00 0.00 H new ATOM 0 HA ASP A 39 15.571 -0.254 11.473 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.804 -0.811 9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.307 0.770 8.627 1.00 0.00 H new ATOM 390 N THR A 40 17.322 1.466 11.801 1.00 0.00 N ATOM 391 CA THR A 40 18.244 2.493 12.242 1.00 0.00 C ATOM 392 C THR A 40 18.937 3.206 11.081 1.00 0.00 C ATOM 393 O THR A 40 19.327 4.368 11.202 1.00 0.00 O ATOM 394 CB THR A 40 19.294 1.860 13.156 1.00 0.00 C ATOM 395 OG1 THR A 40 18.770 0.641 13.708 1.00 0.00 O ATOM 396 CG2 THR A 40 19.649 2.800 14.283 1.00 0.00 C ATOM 0 H THR A 40 17.531 0.539 12.172 1.00 0.00 H new ATOM 0 HA THR A 40 17.666 3.246 12.777 1.00 0.00 H new ATOM 0 HB THR A 40 20.190 1.653 12.571 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.441 0.232 14.293 1.00 0.00 H new ATOM 0 HG21 THR A 40 20.397 2.334 14.924 1.00 0.00 H new ATOM 0 HG22 THR A 40 20.050 3.726 13.872 1.00 0.00 H new ATOM 0 HG23 THR A 40 18.756 3.020 14.868 1.00 0.00 H new ATOM 404 N GLU A 41 19.085 2.516 9.958 1.00 0.00 N ATOM 405 CA GLU A 41 19.733 3.096 8.794 1.00 0.00 C ATOM 406 C GLU A 41 18.704 3.557 7.771 1.00 0.00 C ATOM 407 O GLU A 41 19.047 3.757 6.603 1.00 0.00 O ATOM 408 CB GLU A 41 20.691 2.092 8.157 1.00 0.00 C ATOM 409 CG GLU A 41 21.901 1.781 9.019 1.00 0.00 C ATOM 410 CD GLU A 41 22.874 0.848 8.335 1.00 0.00 C ATOM 411 OE1 GLU A 41 23.504 1.266 7.339 1.00 0.00 O ATOM 412 OE2 GLU A 41 23.024 -0.302 8.793 1.00 0.00 O ATOM 0 H GLU A 41 18.765 1.556 9.830 1.00 0.00 H new ATOM 0 HA GLU A 41 20.302 3.964 9.126 1.00 0.00 H new ATOM 0 HB2 GLU A 41 20.152 1.167 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 41 21.029 2.482 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 41 22.411 2.710 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.570 1.333 9.956 1.00 0.00 H new ATOM 419 N ASN A 42 17.455 3.720 8.241 1.00 0.00 N ATOM 420 CA ASN A 42 16.309 4.191 7.444 1.00 0.00 C ATOM 421 C ASN A 42 16.450 3.858 5.963 1.00 0.00 C ATOM 422 O ASN A 42 16.632 4.737 5.117 1.00 0.00 O ATOM 423 CB ASN A 42 16.011 5.698 7.658 1.00 0.00 C ATOM 424 CG ASN A 42 17.124 6.660 7.248 1.00 0.00 C ATOM 425 OD1 ASN A 42 18.310 6.350 7.315 1.00 0.00 O ATOM 426 ND2 ASN A 42 16.738 7.856 6.831 1.00 0.00 N ATOM 0 H ASN A 42 17.208 3.523 9.211 1.00 0.00 H new ATOM 0 HA ASN A 42 15.446 3.639 7.816 1.00 0.00 H new ATOM 0 HB2 ASN A 42 15.111 5.954 7.099 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.788 5.859 8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.434 8.549 6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.745 8.084 6.786 1.00 0.00 H new ATOM 433 N LEU A 43 16.329 2.567 5.657 1.00 0.00 N ATOM 434 CA LEU A 43 16.475 2.068 4.291 1.00 0.00 C ATOM 435 C LEU A 43 15.402 2.644 3.370 1.00 0.00 C ATOM 436 O LEU A 43 15.435 2.441 2.156 1.00 0.00 O ATOM 437 CB LEU A 43 16.401 0.540 4.275 1.00 0.00 C ATOM 438 CG LEU A 43 17.403 -0.175 5.184 1.00 0.00 C ATOM 439 CD1 LEU A 43 17.244 -1.681 5.064 1.00 0.00 C ATOM 440 CD2 LEU A 43 18.828 0.240 4.851 1.00 0.00 C ATOM 0 H LEU A 43 16.128 1.841 6.345 1.00 0.00 H new ATOM 0 HA LEU A 43 17.450 2.389 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.394 0.239 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.555 0.196 3.252 1.00 0.00 H new ATOM 0 HG LEU A 43 17.198 0.115 6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.963 -2.176 5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.233 -1.965 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.421 -1.984 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.522 -0.281 5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.049 -0.017 3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.935 1.316 4.989 1.00 0.00 H new ATOM 452 N ILE A 44 14.464 3.375 3.959 1.00 0.00 N ATOM 453 CA ILE A 44 13.401 4.018 3.206 1.00 0.00 C ATOM 454 C ILE A 44 13.980 5.014 2.196 1.00 0.00 C ATOM 455 O ILE A 44 13.379 5.278 1.159 1.00 0.00 O ATOM 456 CB ILE A 44 12.412 4.757 4.140 1.00 0.00 C ATOM 457 CG1 ILE A 44 11.072 4.966 3.438 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.978 6.098 4.593 1.00 0.00 C ATOM 459 CD1 ILE A 44 10.160 3.761 3.485 1.00 0.00 C ATOM 0 H ILE A 44 14.421 3.537 4.965 1.00 0.00 H new ATOM 0 HA ILE A 44 12.861 3.233 2.676 1.00 0.00 H new ATOM 0 HB ILE A 44 12.259 4.136 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.562 5.813 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.256 5.229 2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.261 6.593 5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.910 5.935 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.168 6.726 3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.229 3.989 2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.649 2.916 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.944 3.509 4.523 1.00 0.00 H new ATOM 471 N GLU A 45 15.163 5.555 2.502 1.00 0.00 N ATOM 472 CA GLU A 45 15.793 6.538 1.631 1.00 0.00 C ATOM 473 C GLU A 45 16.369 5.881 0.382 1.00 0.00 C ATOM 474 O GLU A 45 16.569 6.538 -0.639 1.00 0.00 O ATOM 475 CB GLU A 45 16.883 7.313 2.371 1.00 0.00 C ATOM 476 CG GLU A 45 16.353 8.171 3.509 1.00 0.00 C ATOM 477 CD GLU A 45 17.288 9.307 3.867 1.00 0.00 C ATOM 478 OE1 GLU A 45 18.313 9.060 4.541 1.00 0.00 O ATOM 479 OE2 GLU A 45 16.994 10.459 3.477 1.00 0.00 O ATOM 0 H GLU A 45 15.696 5.328 3.341 1.00 0.00 H new ATOM 0 HA GLU A 45 15.020 7.241 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.613 6.608 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.410 7.951 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.382 8.579 3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.195 7.545 4.387 1.00 0.00 H new ATOM 486 N LYS A 46 16.621 4.583 0.464 1.00 0.00 N ATOM 487 CA LYS A 46 17.124 3.834 -0.677 1.00 0.00 C ATOM 488 C LYS A 46 15.992 3.534 -1.647 1.00 0.00 C ATOM 489 O LYS A 46 16.164 3.566 -2.864 1.00 0.00 O ATOM 490 CB LYS A 46 17.757 2.523 -0.226 1.00 0.00 C ATOM 491 CG LYS A 46 19.054 2.701 0.530 1.00 0.00 C ATOM 492 CD LYS A 46 19.524 1.382 1.117 1.00 0.00 C ATOM 493 CE LYS A 46 20.829 1.530 1.882 1.00 0.00 C ATOM 494 NZ LYS A 46 21.336 0.216 2.356 1.00 0.00 N ATOM 0 H LYS A 46 16.485 4.027 1.308 1.00 0.00 H new ATOM 0 HA LYS A 46 17.880 4.442 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.049 1.987 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.940 1.899 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.818 3.099 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.917 3.431 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.756 0.988 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 46 19.654 0.655 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.576 2.000 1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 46 20.679 2.192 2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 21.693 0.312 3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.564 -0.481 2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.106 -0.104 1.734 1.00 0.00 H new ATOM 508 N VAL A 47 14.829 3.262 -1.082 1.00 0.00 N ATOM 509 CA VAL A 47 13.684 2.808 -1.846 1.00 0.00 C ATOM 510 C VAL A 47 12.580 3.874 -1.852 1.00 0.00 C ATOM 511 O VAL A 47 11.386 3.567 -1.881 1.00 0.00 O ATOM 512 CB VAL A 47 13.170 1.464 -1.275 1.00 0.00 C ATOM 513 CG1 VAL A 47 12.654 1.632 0.146 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.122 0.836 -2.182 1.00 0.00 C ATOM 0 H VAL A 47 14.653 3.350 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 47 13.987 2.646 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 47 14.015 0.777 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.300 0.672 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.459 1.996 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.833 2.349 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.784 -0.106 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.274 1.514 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.556 0.649 -3.164 1.00 0.00 H new ATOM 524 N ARG A 48 12.996 5.136 -1.803 1.00 0.00 N ATOM 525 CA ARG A 48 12.057 6.252 -1.802 1.00 0.00 C ATOM 526 C ARG A 48 11.063 6.142 -2.937 1.00 0.00 C ATOM 527 O ARG A 48 11.404 6.291 -4.110 1.00 0.00 O ATOM 528 CB ARG A 48 12.778 7.587 -1.894 1.00 0.00 C ATOM 529 CG ARG A 48 13.386 8.026 -0.587 1.00 0.00 C ATOM 530 CD ARG A 48 13.836 9.475 -0.667 1.00 0.00 C ATOM 531 NE ARG A 48 14.437 9.951 0.577 1.00 0.00 N ATOM 532 CZ ARG A 48 14.245 11.174 1.068 1.00 0.00 C ATOM 533 NH1 ARG A 48 13.453 12.029 0.430 1.00 0.00 N ATOM 534 NH2 ARG A 48 14.851 11.547 2.186 1.00 0.00 N ATOM 0 H ARG A 48 13.977 5.411 -1.763 1.00 0.00 H new ATOM 0 HA ARG A 48 11.519 6.205 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.563 7.517 -2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.076 8.349 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.658 7.909 0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.236 7.389 -0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.557 9.583 -1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.981 10.103 -0.915 1.00 0.00 H new ATOM 0 HE ARG A 48 15.037 9.311 1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.992 11.749 -0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.306 12.966 0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.467 10.897 2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.701 12.485 2.559 1.00 0.00 H new ATOM 548 N GLY A 49 9.827 5.905 -2.567 1.00 0.00 N ATOM 549 CA GLY A 49 8.788 5.679 -3.541 1.00 0.00 C ATOM 550 C GLY A 49 7.424 5.666 -2.908 1.00 0.00 C ATOM 551 O GLY A 49 7.302 5.645 -1.693 1.00 0.00 O ATOM 0 H GLY A 49 9.517 5.864 -1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.828 6.458 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.964 4.729 -4.046 1.00 0.00 H new ATOM 555 N ILE A 50 6.398 5.698 -3.719 1.00 0.00 N ATOM 556 CA ILE A 50 5.044 5.665 -3.214 1.00 0.00 C ATOM 557 C ILE A 50 4.413 4.322 -3.528 1.00 0.00 C ATOM 558 O ILE A 50 4.396 3.883 -4.676 1.00 0.00 O ATOM 559 CB ILE A 50 4.224 6.826 -3.800 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.926 8.137 -3.461 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.792 6.825 -3.279 1.00 0.00 C ATOM 562 CD1 ILE A 50 4.210 9.359 -3.962 1.00 0.00 C ATOM 0 H ILE A 50 6.472 5.747 -4.735 1.00 0.00 H new ATOM 0 HA ILE A 50 5.059 5.789 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 50 4.162 6.707 -4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.035 8.210 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.931 8.119 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.245 7.660 -3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.305 5.889 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.800 6.925 -2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.771 10.250 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.124 9.311 -5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.214 9.404 -3.521 1.00 0.00 H new ATOM 574 N TYR A 51 3.933 3.656 -2.498 1.00 0.00 N ATOM 575 CA TYR A 51 3.413 2.309 -2.646 1.00 0.00 C ATOM 576 C TYR A 51 1.898 2.317 -2.552 1.00 0.00 C ATOM 577 O TYR A 51 1.330 2.909 -1.639 1.00 0.00 O ATOM 578 CB TYR A 51 3.983 1.385 -1.566 1.00 0.00 C ATOM 579 CG TYR A 51 5.475 1.522 -1.342 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.380 1.399 -2.388 1.00 0.00 C ATOM 581 CD2 TYR A 51 5.975 1.779 -0.071 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.741 1.527 -2.171 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.329 1.907 0.151 1.00 0.00 C ATOM 584 CZ TYR A 51 8.207 1.781 -0.899 1.00 0.00 C ATOM 585 OH TYR A 51 9.555 1.907 -0.672 1.00 0.00 O ATOM 0 H TYR A 51 3.891 4.024 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 51 3.714 1.937 -3.625 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.468 1.585 -0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.763 0.352 -1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.017 1.201 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.290 1.880 0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.434 1.428 -2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.699 2.106 1.146 1.00 0.00 H new ATOM 0 HH TYR A 51 9.904 2.663 -1.188 1.00 0.00 H new ATOM 595 N GLY A 52 1.250 1.671 -3.499 1.00 0.00 N ATOM 596 CA GLY A 52 -0.190 1.553 -3.452 1.00 0.00 C ATOM 597 C GLY A 52 -0.614 0.146 -3.106 1.00 0.00 C ATOM 598 O GLY A 52 -0.312 -0.793 -3.837 1.00 0.00 O ATOM 0 H GLY A 52 1.693 1.224 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.590 2.248 -2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.612 1.835 -4.417 1.00 0.00 H new ATOM 602 N PHE A 53 -1.286 -0.013 -1.985 1.00 0.00 N ATOM 603 CA PHE A 53 -1.732 -1.330 -1.555 1.00 0.00 C ATOM 604 C PHE A 53 -3.219 -1.522 -1.800 1.00 0.00 C ATOM 605 O PHE A 53 -4.055 -1.041 -1.034 1.00 0.00 O ATOM 606 CB PHE A 53 -1.416 -1.555 -0.077 1.00 0.00 C ATOM 607 CG PHE A 53 -0.144 -2.321 0.160 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.090 -1.751 -0.104 1.00 0.00 C ATOM 609 CD2 PHE A 53 -0.187 -3.618 0.649 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.258 -2.458 0.116 1.00 0.00 C ATOM 611 CE2 PHE A 53 0.976 -4.329 0.871 1.00 0.00 C ATOM 612 CZ PHE A 53 2.200 -3.749 0.604 1.00 0.00 C ATOM 0 H PHE A 53 -1.537 0.748 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.190 -2.065 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.346 -0.588 0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.244 -2.092 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.141 -0.742 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.142 -4.078 0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.214 -2.001 -0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.928 -5.338 1.253 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.111 -4.304 0.776 1.00 0.00 H new ATOM 622 N LYS A 54 -3.538 -2.215 -2.883 1.00 0.00 N ATOM 623 CA LYS A 54 -4.909 -2.583 -3.175 1.00 0.00 C ATOM 624 C LYS A 54 -5.221 -3.925 -2.532 1.00 0.00 C ATOM 625 O LYS A 54 -4.821 -4.977 -3.034 1.00 0.00 O ATOM 626 CB LYS A 54 -5.142 -2.659 -4.685 1.00 0.00 C ATOM 627 CG LYS A 54 -5.100 -1.315 -5.388 1.00 0.00 C ATOM 628 CD LYS A 54 -5.557 -1.429 -6.833 1.00 0.00 C ATOM 629 CE LYS A 54 -4.619 -2.288 -7.667 1.00 0.00 C ATOM 630 NZ LYS A 54 -5.075 -2.383 -9.078 1.00 0.00 N ATOM 0 H LYS A 54 -2.860 -2.534 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.571 -1.820 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.388 -3.311 -5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.111 -3.123 -4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.737 -0.606 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.085 -0.918 -5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.560 -1.855 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.621 -0.433 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.614 -1.866 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.559 -3.287 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.413 -2.976 -9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.024 -2.808 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.108 -1.432 -9.497 1.00 0.00 H new ATOM 644 N VAL A 55 -5.920 -3.887 -1.413 1.00 0.00 N ATOM 645 CA VAL A 55 -6.209 -5.092 -0.661 1.00 0.00 C ATOM 646 C VAL A 55 -7.660 -5.512 -0.859 1.00 0.00 C ATOM 647 O VAL A 55 -8.582 -4.729 -0.629 1.00 0.00 O ATOM 648 CB VAL A 55 -5.931 -4.897 0.841 1.00 0.00 C ATOM 649 CG1 VAL A 55 -5.998 -6.225 1.572 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.577 -4.235 1.056 1.00 0.00 C ATOM 0 H VAL A 55 -6.299 -3.032 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.551 -5.876 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.700 -4.241 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.799 -6.067 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.991 -6.658 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.252 -6.905 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.400 -4.106 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.794 -4.863 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.566 -3.261 0.567 1.00 0.00 H new ATOM 660 N ARG A 56 -7.853 -6.745 -1.295 1.00 0.00 N ATOM 661 CA ARG A 56 -9.186 -7.265 -1.560 1.00 0.00 C ATOM 662 C ARG A 56 -9.509 -8.394 -0.585 1.00 0.00 C ATOM 663 O ARG A 56 -8.684 -8.729 0.258 1.00 0.00 O ATOM 664 CB ARG A 56 -9.274 -7.760 -3.006 1.00 0.00 C ATOM 665 CG ARG A 56 -8.801 -6.734 -4.024 1.00 0.00 C ATOM 666 CD ARG A 56 -9.010 -7.221 -5.447 1.00 0.00 C ATOM 667 NE ARG A 56 -10.427 -7.359 -5.775 1.00 0.00 N ATOM 668 CZ ARG A 56 -10.968 -8.451 -6.317 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.210 -9.511 -6.588 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.266 -8.485 -6.588 1.00 0.00 N ATOM 0 H ARG A 56 -7.100 -7.409 -1.474 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.917 -6.468 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.677 -8.666 -3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.306 -8.032 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.340 -5.798 -3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.744 -6.521 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.543 -6.523 -6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.512 -8.182 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.042 -6.570 -5.577 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.211 -9.490 -6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.628 -10.344 -7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.851 -7.676 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.679 -9.321 -7.003 1.00 0.00 H new ATOM 684 N ASN A 57 -10.701 -8.975 -0.710 1.00 0.00 N ATOM 685 CA ASN A 57 -11.149 -10.050 0.190 1.00 0.00 C ATOM 686 C ASN A 57 -11.225 -9.558 1.625 1.00 0.00 C ATOM 687 O ASN A 57 -10.724 -10.207 2.544 1.00 0.00 O ATOM 688 CB ASN A 57 -10.222 -11.267 0.133 1.00 0.00 C ATOM 689 CG ASN A 57 -10.316 -12.040 -1.166 1.00 0.00 C ATOM 690 OD1 ASN A 57 -10.584 -11.477 -2.229 1.00 0.00 O ATOM 691 ND2 ASN A 57 -10.096 -13.341 -1.088 1.00 0.00 N ATOM 0 H ASN A 57 -11.380 -8.722 -1.427 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.140 -10.349 -0.151 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.193 -10.937 0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.461 -11.934 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.145 -13.918 -1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.877 -13.768 -0.188 1.00 0.00 H new ATOM 698 N GLY A 58 -11.834 -8.402 1.805 1.00 0.00 N ATOM 699 CA GLY A 58 -12.003 -7.849 3.129 1.00 0.00 C ATOM 700 C GLY A 58 -13.031 -8.608 3.948 1.00 0.00 C ATOM 701 O GLY A 58 -13.523 -9.649 3.507 1.00 0.00 O ATOM 0 H GLY A 58 -12.218 -7.831 1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.046 -7.863 3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.307 -6.805 3.047 1.00 0.00 H new ATOM 705 N PRO A 59 -13.383 -8.079 5.137 1.00 0.00 N ATOM 706 CA PRO A 59 -14.293 -8.725 6.087 1.00 0.00 C ATOM 707 C PRO A 59 -15.464 -9.440 5.418 1.00 0.00 C ATOM 708 O PRO A 59 -15.624 -10.653 5.559 1.00 0.00 O ATOM 709 CB PRO A 59 -14.807 -7.564 6.932 1.00 0.00 C ATOM 710 CG PRO A 59 -13.796 -6.471 6.811 1.00 0.00 C ATOM 711 CD PRO A 59 -12.892 -6.793 5.652 1.00 0.00 C ATOM 0 HA PRO A 59 -13.780 -9.503 6.652 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.783 -7.230 6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.929 -7.866 7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.290 -5.512 6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.218 -6.384 7.731 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.938 -6.017 4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.852 -6.866 5.970 1.00 0.00 H new ATOM 719 N ASN A 60 -16.276 -8.692 4.687 1.00 0.00 N ATOM 720 CA ASN A 60 -17.395 -9.272 3.959 1.00 0.00 C ATOM 721 C ASN A 60 -17.302 -8.923 2.482 1.00 0.00 C ATOM 722 O ASN A 60 -18.161 -8.231 1.937 1.00 0.00 O ATOM 723 CB ASN A 60 -18.733 -8.796 4.539 1.00 0.00 C ATOM 724 CG ASN A 60 -19.034 -9.387 5.908 1.00 0.00 C ATOM 725 OD1 ASN A 60 -18.624 -10.628 6.138 1.00 0.00 O flip ATOM 726 ND2 ASN A 60 -19.644 -8.734 6.756 1.00 0.00 N flip ATOM 0 H ASN A 60 -16.181 -7.682 4.582 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.346 -10.356 4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.724 -7.709 4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.536 -9.061 3.851 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -19.945 -7.782 6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -19.848 -9.145 7.667 1.00 0.00 H new ATOM 733 N GLY A 61 -16.238 -9.394 1.841 1.00 0.00 N ATOM 734 CA GLY A 61 -16.045 -9.132 0.427 1.00 0.00 C ATOM 735 C GLY A 61 -15.648 -7.697 0.168 1.00 0.00 C ATOM 736 O GLY A 61 -15.829 -7.175 -0.934 1.00 0.00 O ATOM 0 H GLY A 61 -15.505 -9.953 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.275 -9.798 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.965 -9.357 -0.113 1.00 0.00 H new ATOM 740 N ALA A 62 -15.097 -7.060 1.187 1.00 0.00 N ATOM 741 CA ALA A 62 -14.722 -5.661 1.102 1.00 0.00 C ATOM 742 C ALA A 62 -13.396 -5.482 0.394 1.00 0.00 C ATOM 743 O ALA A 62 -12.677 -6.447 0.127 1.00 0.00 O ATOM 744 CB ALA A 62 -14.673 -5.045 2.490 1.00 0.00 C ATOM 0 H ALA A 62 -14.899 -7.494 2.088 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.481 -5.146 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.390 -3.995 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.655 -5.123 2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.939 -5.574 3.097 1.00 0.00 H new ATOM 750 N GLU A 63 -13.091 -4.238 0.092 1.00 0.00 N ATOM 751 CA GLU A 63 -11.871 -3.883 -0.592 1.00 0.00 C ATOM 752 C GLU A 63 -11.323 -2.591 -0.021 1.00 0.00 C ATOM 753 O GLU A 63 -12.079 -1.665 0.275 1.00 0.00 O ATOM 754 CB GLU A 63 -12.135 -3.738 -2.086 1.00 0.00 C ATOM 755 CG GLU A 63 -12.072 -5.053 -2.834 1.00 0.00 C ATOM 756 CD GLU A 63 -12.520 -4.929 -4.274 1.00 0.00 C ATOM 757 OE1 GLU A 63 -13.741 -4.968 -4.523 1.00 0.00 O ATOM 758 OE2 GLU A 63 -11.655 -4.789 -5.165 1.00 0.00 O ATOM 0 H GLU A 63 -13.688 -3.442 0.316 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.133 -4.672 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.118 -3.291 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.405 -3.050 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.051 -5.433 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.698 -5.786 -2.325 1.00 0.00 H new ATOM 765 N GLY A 64 -10.020 -2.544 0.145 1.00 0.00 N ATOM 766 CA GLY A 64 -9.385 -1.377 0.712 1.00 0.00 C ATOM 767 C GLY A 64 -8.190 -0.944 -0.100 1.00 0.00 C ATOM 768 O GLY A 64 -7.674 -1.714 -0.912 1.00 0.00 O ATOM 0 H GLY A 64 -9.381 -3.299 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.105 -0.560 0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.072 -1.593 1.734 1.00 0.00 H new ATOM 772 N TYR A 65 -7.751 0.284 0.109 1.00 0.00 N ATOM 773 CA TYR A 65 -6.615 0.815 -0.621 1.00 0.00 C ATOM 774 C TYR A 65 -5.865 1.845 0.218 1.00 0.00 C ATOM 775 O TYR A 65 -6.400 2.907 0.546 1.00 0.00 O ATOM 776 CB TYR A 65 -7.084 1.433 -1.940 1.00 0.00 C ATOM 777 CG TYR A 65 -5.965 2.006 -2.775 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.832 1.257 -3.052 1.00 0.00 C ATOM 779 CD2 TYR A 65 -6.041 3.294 -3.281 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.803 1.775 -3.808 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.017 3.819 -4.042 1.00 0.00 C ATOM 782 CZ TYR A 65 -3.900 3.058 -4.302 1.00 0.00 C ATOM 783 OH TYR A 65 -2.878 3.581 -5.060 1.00 0.00 O ATOM 0 H TYR A 65 -8.165 0.933 0.779 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.929 -0.003 -0.840 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.606 0.673 -2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.805 2.222 -1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.754 0.250 -2.669 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.914 3.895 -3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.926 1.179 -4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.092 4.823 -4.432 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.106 4.495 -5.330 1.00 0.00 H new ATOM 793 N TRP A 66 -4.625 1.525 0.559 1.00 0.00 N ATOM 794 CA TRP A 66 -3.790 2.432 1.334 1.00 0.00 C ATOM 795 C TRP A 66 -2.572 2.822 0.512 1.00 0.00 C ATOM 796 O TRP A 66 -2.053 2.023 -0.267 1.00 0.00 O ATOM 797 CB TRP A 66 -3.329 1.814 2.667 1.00 0.00 C ATOM 798 CG TRP A 66 -4.429 1.446 3.621 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.783 2.118 4.757 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.300 0.308 3.543 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.818 1.472 5.387 1.00 0.00 N ATOM 802 CE2 TRP A 66 -6.155 0.360 4.660 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.443 -0.746 2.637 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.133 -0.600 4.895 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.416 -1.698 2.872 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.250 -1.620 3.992 1.00 0.00 C ATOM 0 H TRP A 66 -4.175 0.644 0.311 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.392 3.309 1.571 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.745 0.920 2.450 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.662 2.519 3.163 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -4.316 3.026 5.109 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -6.263 1.771 6.255 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.804 -0.815 1.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.777 -0.542 5.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.535 -2.517 2.178 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.001 -2.380 4.147 1.00 0.00 H new ATOM 817 N VAL A 67 -2.137 4.051 0.681 1.00 0.00 N ATOM 818 CA VAL A 67 -0.980 4.563 -0.026 1.00 0.00 C ATOM 819 C VAL A 67 0.160 4.841 0.946 1.00 0.00 C ATOM 820 O VAL A 67 -0.012 5.568 1.920 1.00 0.00 O ATOM 821 CB VAL A 67 -1.336 5.853 -0.792 1.00 0.00 C ATOM 822 CG1 VAL A 67 -0.086 6.570 -1.258 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.244 5.541 -1.972 1.00 0.00 C ATOM 0 H VAL A 67 -2.573 4.724 1.311 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.660 3.805 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.870 6.514 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.365 7.476 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.525 6.834 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.483 5.917 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.484 6.464 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.736 4.856 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.163 5.079 -1.612 1.00 0.00 H new ATOM 833 N ILE A 68 1.312 4.247 0.685 1.00 0.00 N ATOM 834 CA ILE A 68 2.481 4.444 1.526 1.00 0.00 C ATOM 835 C ILE A 68 3.419 5.456 0.877 1.00 0.00 C ATOM 836 O ILE A 68 4.078 5.156 -0.122 1.00 0.00 O ATOM 837 CB ILE A 68 3.271 3.133 1.776 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.389 2.024 2.371 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.453 3.401 2.699 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.496 1.333 1.364 1.00 0.00 C ATOM 0 H ILE A 68 1.463 3.621 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 68 2.116 4.806 2.487 1.00 0.00 H new ATOM 0 HB ILE A 68 3.629 2.784 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.030 1.279 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.767 2.452 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.000 2.474 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.115 4.135 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.090 3.787 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.908 0.565 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.827 2.064 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.109 0.872 0.590 1.00 0.00 H new ATOM 852 N ASN A 69 3.468 6.652 1.435 1.00 0.00 N ATOM 853 CA ASN A 69 4.355 7.688 0.930 1.00 0.00 C ATOM 854 C ASN A 69 5.752 7.511 1.507 1.00 0.00 C ATOM 855 O ASN A 69 6.029 7.918 2.637 1.00 0.00 O ATOM 856 CB ASN A 69 3.823 9.081 1.282 1.00 0.00 C ATOM 857 CG ASN A 69 4.773 10.191 0.856 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.666 10.585 1.607 1.00 0.00 O ATOM 859 ND2 ASN A 69 4.579 10.707 -0.343 1.00 0.00 N ATOM 0 H ASN A 69 2.905 6.931 2.238 1.00 0.00 H new ATOM 0 HA ASN A 69 4.399 7.597 -0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.856 9.230 0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.657 9.142 2.357 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.180 11.460 -0.677 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.828 10.353 -0.935 1.00 0.00 H new ATOM 866 N ALA A 70 6.624 6.894 0.732 1.00 0.00 N ATOM 867 CA ALA A 70 8.017 6.743 1.115 1.00 0.00 C ATOM 868 C ALA A 70 8.892 7.649 0.261 1.00 0.00 C ATOM 869 O ALA A 70 10.103 7.718 0.454 1.00 0.00 O ATOM 870 CB ALA A 70 8.453 5.295 0.972 1.00 0.00 C ATOM 0 H ALA A 70 6.391 6.486 -0.173 1.00 0.00 H new ATOM 0 HA ALA A 70 8.127 7.032 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.499 5.200 1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.839 4.665 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.335 4.980 -0.065 1.00 0.00 H new ATOM 876 N LYS A 71 8.265 8.351 -0.686 1.00 0.00 N ATOM 877 CA LYS A 71 8.979 9.242 -1.594 1.00 0.00 C ATOM 878 C LYS A 71 9.681 10.357 -0.822 1.00 0.00 C ATOM 879 O LYS A 71 10.796 10.751 -1.155 1.00 0.00 O ATOM 880 CB LYS A 71 7.999 9.837 -2.609 1.00 0.00 C ATOM 881 CG LYS A 71 8.653 10.695 -3.683 1.00 0.00 C ATOM 882 CD LYS A 71 9.474 9.866 -4.667 1.00 0.00 C ATOM 883 CE LYS A 71 8.595 8.968 -5.525 1.00 0.00 C ATOM 884 NZ LYS A 71 9.375 8.253 -6.572 1.00 0.00 N ATOM 0 H LYS A 71 7.258 8.317 -0.842 1.00 0.00 H new ATOM 0 HA LYS A 71 9.739 8.666 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.455 9.024 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.264 10.440 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.883 11.242 -4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.297 11.436 -3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.050 10.532 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.190 9.255 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.091 8.240 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.818 9.568 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.727 7.890 -7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.053 8.909 -7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.890 7.460 -6.140 1.00 0.00 H new ATOM 898 N GLU A 72 9.026 10.842 0.226 1.00 0.00 N ATOM 899 CA GLU A 72 9.582 11.898 1.062 1.00 0.00 C ATOM 900 C GLU A 72 10.536 11.327 2.106 1.00 0.00 C ATOM 901 O GLU A 72 11.140 12.064 2.885 1.00 0.00 O ATOM 902 CB GLU A 72 8.453 12.651 1.756 1.00 0.00 C ATOM 903 CG GLU A 72 7.532 13.376 0.794 1.00 0.00 C ATOM 904 CD GLU A 72 8.181 14.599 0.180 1.00 0.00 C ATOM 905 OE1 GLU A 72 8.075 15.690 0.774 1.00 0.00 O ATOM 906 OE2 GLU A 72 8.796 14.478 -0.898 1.00 0.00 O ATOM 0 H GLU A 72 8.104 10.518 0.518 1.00 0.00 H new ATOM 0 HA GLU A 72 10.142 12.581 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.867 11.948 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.881 13.373 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.230 12.692 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.625 13.675 1.320 1.00 0.00 H new ATOM 913 N GLY A 73 10.660 10.008 2.117 1.00 0.00 N ATOM 914 CA GLY A 73 11.514 9.348 3.086 1.00 0.00 C ATOM 915 C GLY A 73 10.822 9.162 4.417 1.00 0.00 C ATOM 916 O GLY A 73 11.466 8.941 5.443 1.00 0.00 O ATOM 0 H GLY A 73 10.183 9.380 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.820 8.377 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.422 9.934 3.228 1.00 0.00 H new ATOM 920 N LYS A 74 9.502 9.260 4.396 1.00 0.00 N ATOM 921 CA LYS A 74 8.705 9.136 5.607 1.00 0.00 C ATOM 922 C LYS A 74 8.242 7.697 5.805 1.00 0.00 C ATOM 923 O LYS A 74 8.585 7.061 6.800 1.00 0.00 O ATOM 924 CB LYS A 74 7.500 10.074 5.543 1.00 0.00 C ATOM 925 CG LYS A 74 7.855 11.547 5.351 1.00 0.00 C ATOM 926 CD LYS A 74 8.510 12.163 6.584 1.00 0.00 C ATOM 927 CE LYS A 74 10.026 11.999 6.583 1.00 0.00 C ATOM 928 NZ LYS A 74 10.663 12.693 7.733 1.00 0.00 N ATOM 0 H LYS A 74 8.958 9.426 3.550 1.00 0.00 H new ATOM 0 HA LYS A 74 9.327 9.416 6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.853 9.759 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.924 9.969 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.529 11.646 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.951 12.105 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.263 13.223 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.098 11.699 7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.276 10.939 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.432 12.393 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.693 12.556 7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.447 13.709 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.295 12.300 8.623 1.00 0.00 H new ATOM 942 N GLY A 75 7.465 7.185 4.859 1.00 0.00 N ATOM 943 CA GLY A 75 6.980 5.826 4.973 1.00 0.00 C ATOM 944 C GLY A 75 5.623 5.753 5.644 1.00 0.00 C ATOM 945 O GLY A 75 5.344 4.814 6.383 1.00 0.00 O ATOM 0 H GLY A 75 7.164 7.683 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.916 5.381 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.696 5.234 5.542 1.00 0.00 H new ATOM 949 N LYS A 76 4.776 6.744 5.387 1.00 0.00 N ATOM 950 CA LYS A 76 3.471 6.808 6.031 1.00 0.00 C ATOM 951 C LYS A 76 2.406 6.211 5.127 1.00 0.00 C ATOM 952 O LYS A 76 2.449 6.389 3.910 1.00 0.00 O ATOM 953 CB LYS A 76 3.087 8.255 6.366 1.00 0.00 C ATOM 954 CG LYS A 76 2.912 9.150 5.144 1.00 0.00 C ATOM 955 CD LYS A 76 2.108 10.395 5.482 1.00 0.00 C ATOM 956 CE LYS A 76 1.995 11.342 4.298 1.00 0.00 C ATOM 957 NZ LYS A 76 3.318 11.863 3.862 1.00 0.00 N ATOM 0 H LYS A 76 4.969 7.509 4.741 1.00 0.00 H new ATOM 0 HA LYS A 76 3.534 6.236 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.158 8.251 6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.855 8.684 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.890 9.439 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.410 8.594 4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.110 10.104 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.578 10.914 6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.519 10.824 3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.348 12.178 4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.179 12.661 3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.855 12.184 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.846 11.109 3.379 1.00 0.00 H new ATOM 971 N VAL A 77 1.448 5.506 5.711 1.00 0.00 N ATOM 972 CA VAL A 77 0.388 4.903 4.922 1.00 0.00 C ATOM 973 C VAL A 77 -0.917 5.661 5.155 1.00 0.00 C ATOM 974 O VAL A 77 -1.268 6.003 6.288 1.00 0.00 O ATOM 975 CB VAL A 77 0.217 3.377 5.203 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.511 2.766 5.718 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.929 3.080 6.156 1.00 0.00 C ATOM 0 H VAL A 77 1.384 5.340 6.715 1.00 0.00 H new ATOM 0 HA VAL A 77 0.669 4.982 3.872 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.034 2.915 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.362 1.703 5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.297 2.897 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.803 3.260 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.001 2.004 6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.747 3.576 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.862 3.447 5.728 1.00 0.00 H new ATOM 987 N THR A 78 -1.600 5.967 4.072 1.00 0.00 N ATOM 988 CA THR A 78 -2.819 6.745 4.137 1.00 0.00 C ATOM 989 C THR A 78 -3.873 6.171 3.199 1.00 0.00 C ATOM 990 O THR A 78 -3.579 5.821 2.056 1.00 0.00 O ATOM 991 CB THR A 78 -2.541 8.228 3.786 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.764 8.976 3.767 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.832 8.358 2.441 1.00 0.00 C ATOM 0 H THR A 78 -1.329 5.686 3.130 1.00 0.00 H new ATOM 0 HA THR A 78 -3.198 6.695 5.158 1.00 0.00 H new ATOM 0 HB THR A 78 -1.885 8.633 4.557 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.572 9.911 3.546 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.652 9.411 2.225 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.881 7.827 2.478 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.456 7.929 1.658 1.00 0.00 H new ATOM 1001 N TYR A 79 -5.094 6.046 3.697 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.200 5.561 2.889 1.00 0.00 C ATOM 1003 C TYR A 79 -6.520 6.604 1.821 1.00 0.00 C ATOM 1004 O TYR A 79 -6.564 7.797 2.126 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.421 5.297 3.776 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.427 4.334 3.182 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.303 2.966 3.382 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.500 4.790 2.431 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.219 2.080 2.849 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.423 3.912 1.897 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.277 2.558 2.109 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.195 1.679 1.582 1.00 0.00 O ATOM 0 H TYR A 79 -5.343 6.275 4.659 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.927 4.623 2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.081 4.904 4.734 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.919 6.245 3.979 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.476 2.588 3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.616 5.850 2.261 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.106 1.018 3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.254 4.284 1.317 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.879 2.177 1.088 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.723 6.142 0.580 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.876 7.024 -0.590 1.00 0.00 C ATOM 1024 C ASN A 80 -5.860 8.173 -0.551 1.00 0.00 C ATOM 1025 O ASN A 80 -6.195 9.328 -0.287 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.329 7.538 -0.769 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.923 8.255 0.439 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -9.526 7.633 1.312 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -8.784 9.571 0.482 1.00 0.00 N ATOM 0 H ASN A 80 -6.786 5.149 0.357 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.663 6.421 -1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.354 8.217 -1.621 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.968 6.691 -1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.183 10.101 1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.277 10.055 -0.259 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.606 7.827 -0.827 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.506 8.769 -0.700 1.00 0.00 C ATOM 1038 C GLY A 81 -3.643 9.985 -1.593 1.00 0.00 C ATOM 1039 O GLY A 81 -3.321 11.101 -1.181 1.00 0.00 O ATOM 0 H GLY A 81 -4.329 6.897 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.437 9.096 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.572 8.258 -0.936 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.105 9.773 -2.814 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.257 10.867 -3.755 1.00 0.00 C ATOM 1045 C GLY A 82 -3.027 11.053 -4.622 1.00 0.00 C ATOM 1046 O GLY A 82 -3.066 11.753 -5.633 1.00 0.00 O ATOM 0 H GLY A 82 -4.379 8.859 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.122 10.679 -4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.457 11.789 -3.209 1.00 0.00 H new ATOM 1050 N GLU A 83 -1.931 10.430 -4.218 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.682 10.506 -4.956 1.00 0.00 C ATOM 1052 C GLU A 83 -0.500 9.285 -5.842 1.00 0.00 C ATOM 1053 O GLU A 83 -1.043 8.218 -5.554 1.00 0.00 O ATOM 1054 CB GLU A 83 0.495 10.650 -3.998 1.00 0.00 C ATOM 1055 CG GLU A 83 0.276 9.969 -2.675 1.00 0.00 C ATOM 1056 CD GLU A 83 1.248 10.442 -1.616 1.00 0.00 C ATOM 1057 OE1 GLU A 83 2.374 9.920 -1.556 1.00 0.00 O ATOM 1058 OE2 GLU A 83 0.886 11.356 -0.845 1.00 0.00 O ATOM 0 H GLU A 83 -1.883 9.860 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.719 11.387 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.388 10.237 -4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.686 11.709 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.744 10.155 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.378 8.891 -2.803 1.00 0.00 H new ATOM 1065 N LYS A 84 0.246 9.454 -6.927 1.00 0.00 N ATOM 1066 CA LYS A 84 0.530 8.368 -7.844 1.00 0.00 C ATOM 1067 C LYS A 84 1.638 7.464 -7.308 1.00 0.00 C ATOM 1068 O LYS A 84 2.802 7.862 -7.218 1.00 0.00 O ATOM 1069 CB LYS A 84 0.889 8.912 -9.213 1.00 0.00 C ATOM 1070 CG LYS A 84 2.061 9.852 -9.213 1.00 0.00 C ATOM 1071 CD LYS A 84 2.412 10.236 -10.623 1.00 0.00 C ATOM 1072 CE LYS A 84 3.531 11.246 -10.664 1.00 0.00 C ATOM 1073 NZ LYS A 84 3.977 11.537 -12.050 1.00 0.00 N ATOM 0 H LYS A 84 0.667 10.345 -7.191 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.371 7.761 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.107 8.076 -9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.022 9.429 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.823 10.744 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.917 9.379 -8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.704 9.346 -11.180 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.532 10.647 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.201 12.170 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.375 10.873 -10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.747 12.236 -12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.317 10.661 -12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.180 11.918 -12.599 1.00 0.00 H new ATOM 1087 N PRO A 85 1.280 6.238 -6.917 1.00 0.00 N ATOM 1088 CA PRO A 85 2.243 5.258 -6.431 1.00 0.00 C ATOM 1089 C PRO A 85 3.145 4.758 -7.549 1.00 0.00 C ATOM 1090 O PRO A 85 2.671 4.388 -8.625 1.00 0.00 O ATOM 1091 CB PRO A 85 1.370 4.114 -5.896 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.015 4.659 -5.839 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.087 5.713 -6.900 1.00 0.00 C ATOM 0 HA PRO A 85 2.909 5.678 -5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.422 3.243 -6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.706 3.793 -4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.751 3.875 -6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.229 5.079 -4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.374 5.298 -7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.816 6.486 -6.656 1.00 0.00 H new ATOM 1101 N ASP A 86 4.448 4.775 -7.289 1.00 0.00 N ATOM 1102 CA ASP A 86 5.436 4.251 -8.229 1.00 0.00 C ATOM 1103 C ASP A 86 5.153 2.786 -8.509 1.00 0.00 C ATOM 1104 O ASP A 86 5.321 2.308 -9.631 1.00 0.00 O ATOM 1105 CB ASP A 86 6.855 4.388 -7.664 1.00 0.00 C ATOM 1106 CG ASP A 86 7.219 5.817 -7.315 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.705 6.336 -6.302 1.00 0.00 O ATOM 1108 OD2 ASP A 86 8.034 6.425 -8.036 1.00 0.00 O ATOM 0 H ASP A 86 4.848 5.149 -6.428 1.00 0.00 H new ATOM 0 HA ASP A 86 5.366 4.827 -9.151 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.946 3.768 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.569 4.005 -8.393 1.00 0.00 H new ATOM 1113 N VAL A 87 4.723 2.078 -7.472 1.00 0.00 N ATOM 1114 CA VAL A 87 4.364 0.677 -7.590 1.00 0.00 C ATOM 1115 C VAL A 87 3.099 0.375 -6.790 1.00 0.00 C ATOM 1116 O VAL A 87 2.908 0.893 -5.688 1.00 0.00 O ATOM 1117 CB VAL A 87 5.514 -0.256 -7.137 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.656 -0.227 -8.136 1.00 0.00 C ATOM 1119 CG2 VAL A 87 6.032 0.110 -5.756 1.00 0.00 C ATOM 0 H VAL A 87 4.615 2.459 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 87 4.174 0.483 -8.646 1.00 0.00 H new ATOM 0 HB VAL A 87 5.104 -1.265 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.453 -0.890 -7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.296 -0.560 -9.110 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.041 0.789 -8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.837 -0.570 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.408 1.133 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.222 0.029 -5.031 1.00 0.00 H new ATOM 1129 N THR A 88 2.223 -0.434 -7.364 1.00 0.00 N ATOM 1130 CA THR A 88 0.976 -0.805 -6.711 1.00 0.00 C ATOM 1131 C THR A 88 0.854 -2.324 -6.614 1.00 0.00 C ATOM 1132 O THR A 88 1.154 -3.036 -7.571 1.00 0.00 O ATOM 1133 CB THR A 88 -0.237 -0.233 -7.477 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.086 1.189 -7.628 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.544 -0.531 -6.750 1.00 0.00 C ATOM 0 H THR A 88 2.353 -0.849 -8.287 1.00 0.00 H new ATOM 0 HA THR A 88 0.986 -0.383 -5.706 1.00 0.00 H new ATOM 0 HB THR A 88 -0.275 -0.710 -8.456 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.856 1.550 -8.116 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.378 -0.115 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.671 -1.610 -6.657 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.519 -0.082 -5.757 1.00 0.00 H new ATOM 1143 N PHE A 89 0.427 -2.804 -5.452 1.00 0.00 N ATOM 1144 CA PHE A 89 0.263 -4.230 -5.208 1.00 0.00 C ATOM 1145 C PHE A 89 -1.216 -4.562 -5.071 1.00 0.00 C ATOM 1146 O PHE A 89 -2.012 -3.706 -4.694 1.00 0.00 O ATOM 1147 CB PHE A 89 0.989 -4.648 -3.924 1.00 0.00 C ATOM 1148 CG PHE A 89 2.416 -4.189 -3.849 1.00 0.00 C ATOM 1149 CD1 PHE A 89 2.730 -2.932 -3.356 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.441 -5.014 -4.274 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.040 -2.511 -3.288 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.753 -4.598 -4.209 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.053 -3.344 -3.713 1.00 0.00 C ATOM 0 H PHE A 89 0.185 -2.216 -4.654 1.00 0.00 H new ATOM 0 HA PHE A 89 0.691 -4.772 -6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.446 -4.251 -3.067 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.963 -5.735 -3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.940 -2.276 -3.022 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.211 -5.996 -4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.273 -1.530 -2.902 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.545 -5.251 -4.545 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.081 -3.016 -3.658 1.00 0.00 H new ATOM 1163 N THR A 90 -1.578 -5.795 -5.387 1.00 0.00 N ATOM 1164 CA THR A 90 -2.944 -6.256 -5.202 1.00 0.00 C ATOM 1165 C THR A 90 -2.941 -7.612 -4.498 1.00 0.00 C ATOM 1166 O THR A 90 -2.557 -8.623 -5.086 1.00 0.00 O ATOM 1167 CB THR A 90 -3.675 -6.372 -6.548 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.202 -5.361 -7.451 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.171 -6.214 -6.368 1.00 0.00 C ATOM 0 H THR A 90 -0.944 -6.495 -5.773 1.00 0.00 H new ATOM 0 HA THR A 90 -3.471 -5.526 -4.588 1.00 0.00 H new ATOM 0 HB THR A 90 -3.471 -7.361 -6.958 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.287 -5.574 -7.730 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.665 -6.300 -7.336 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.541 -6.992 -5.701 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.384 -5.236 -5.938 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.357 -7.610 -3.236 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.292 -8.780 -2.363 1.00 0.00 C ATOM 1179 C ILE A 91 -4.619 -8.935 -1.625 1.00 0.00 C ATOM 1180 O ILE A 91 -5.391 -7.985 -1.518 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.158 -8.588 -1.322 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -0.804 -8.422 -2.010 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.104 -9.752 -0.352 1.00 0.00 C ATOM 1184 CD1 ILE A 91 0.263 -7.825 -1.116 1.00 0.00 C ATOM 0 H ILE A 91 -3.754 -6.786 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.095 -9.668 -2.964 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.380 -7.679 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.465 -9.395 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.927 -7.787 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.300 -9.590 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.054 -9.829 0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.920 -10.675 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.196 -7.737 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.054 -6.837 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.416 -8.470 -0.251 1.00 0.00 H new ATOM 1196 N SER A 92 -4.886 -10.130 -1.135 1.00 0.00 N ATOM 1197 CA SER A 92 -6.059 -10.374 -0.321 1.00 0.00 C ATOM 1198 C SER A 92 -5.737 -10.123 1.154 1.00 0.00 C ATOM 1199 O SER A 92 -4.660 -10.478 1.636 1.00 0.00 O ATOM 1200 CB SER A 92 -6.526 -11.811 -0.526 1.00 0.00 C ATOM 1201 OG SER A 92 -6.669 -12.096 -1.908 1.00 0.00 O ATOM 0 H SER A 92 -4.301 -10.952 -1.288 1.00 0.00 H new ATOM 0 HA SER A 92 -6.856 -9.693 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.809 -12.500 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.477 -11.966 -0.017 1.00 0.00 H new ATOM 0 HG SER A 92 -7.597 -12.350 -2.095 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.694 -9.503 1.844 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.587 -9.145 3.265 1.00 0.00 C ATOM 1209 C ASP A 93 -6.208 -10.346 4.119 1.00 0.00 C ATOM 1210 O ASP A 93 -5.613 -10.214 5.188 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.938 -8.591 3.732 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.939 -8.134 5.178 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.099 -7.293 5.541 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.808 -8.598 5.952 1.00 0.00 O ATOM 0 H ASP A 93 -7.583 -9.229 1.427 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.802 -8.397 3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.217 -7.752 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.701 -9.359 3.602 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.550 -11.516 3.621 1.00 0.00 N ATOM 1220 CA GLU A 94 -6.307 -12.759 4.323 1.00 0.00 C ATOM 1221 C GLU A 94 -4.848 -13.184 4.179 1.00 0.00 C ATOM 1222 O GLU A 94 -4.234 -13.663 5.127 1.00 0.00 O ATOM 1223 CB GLU A 94 -7.218 -13.845 3.751 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.593 -13.334 3.350 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.476 -14.425 2.787 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -9.857 -15.344 3.540 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -9.803 -14.363 1.583 1.00 0.00 O ATOM 0 H GLU A 94 -7.005 -11.632 2.716 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.520 -12.614 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.737 -14.291 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.335 -14.637 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.079 -12.890 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.481 -12.543 2.608 1.00 0.00 H new ATOM 1234 N ASP A 95 -4.292 -12.978 2.992 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.959 -13.481 2.671 1.00 0.00 C ATOM 1236 C ASP A 95 -1.881 -12.479 3.042 1.00 0.00 C ATOM 1237 O ASP A 95 -0.712 -12.844 3.189 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.851 -13.810 1.185 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.842 -14.864 0.754 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -3.579 -16.062 0.980 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -4.890 -14.498 0.180 1.00 0.00 O ATOM 0 H ASP A 95 -4.743 -12.466 2.234 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.808 -14.388 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.013 -12.903 0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.840 -14.154 0.965 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.271 -11.218 3.194 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.325 -10.160 3.533 1.00 0.00 C ATOM 1248 C VAL A 96 -0.564 -10.511 4.809 1.00 0.00 C ATOM 1249 O VAL A 96 0.610 -10.182 4.958 1.00 0.00 O ATOM 1250 CB VAL A 96 -2.039 -8.790 3.704 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -1.964 -8.290 5.143 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.461 -7.753 2.752 1.00 0.00 C ATOM 0 H VAL A 96 -3.235 -10.903 3.088 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.619 -10.075 2.707 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.090 -8.941 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.474 -7.330 5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.444 -9.011 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.920 -8.171 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.977 -6.803 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.399 -7.622 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.592 -8.090 1.724 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.236 -11.217 5.708 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.686 -11.504 7.020 1.00 0.00 C ATOM 1264 C VAL A 97 0.514 -12.437 6.924 1.00 0.00 C ATOM 1265 O VAL A 97 1.419 -12.379 7.750 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.755 -12.113 7.952 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -3.022 -11.281 7.899 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -2.056 -13.560 7.586 1.00 0.00 C ATOM 0 H VAL A 97 -2.167 -11.602 5.549 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.354 -10.557 7.445 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.361 -12.105 8.968 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.772 -11.717 8.559 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.803 -10.263 8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.404 -11.264 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.813 -13.957 8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.425 -13.607 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.146 -14.154 7.671 1.00 0.00 H new ATOM 1278 N ASP A 98 0.530 -13.281 5.902 1.00 0.00 N ATOM 1279 CA ASP A 98 1.641 -14.185 5.695 1.00 0.00 C ATOM 1280 C ASP A 98 2.733 -13.466 4.928 1.00 0.00 C ATOM 1281 O ASP A 98 3.917 -13.704 5.148 1.00 0.00 O ATOM 1282 CB ASP A 98 1.206 -15.442 4.932 1.00 0.00 C ATOM 1283 CG ASP A 98 0.147 -16.249 5.663 1.00 0.00 C ATOM 1284 OD1 ASP A 98 0.490 -16.914 6.662 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -1.030 -16.227 5.239 1.00 0.00 O ATOM 0 H ASP A 98 -0.214 -13.355 5.208 1.00 0.00 H new ATOM 0 HA ASP A 98 2.015 -14.501 6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.821 -15.151 3.955 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.078 -16.073 4.757 1.00 0.00 H new ATOM 1290 N LEU A 99 2.326 -12.560 4.051 1.00 0.00 N ATOM 1291 CA LEU A 99 3.270 -11.805 3.230 1.00 0.00 C ATOM 1292 C LEU A 99 4.079 -10.839 4.085 1.00 0.00 C ATOM 1293 O LEU A 99 5.304 -10.786 3.995 1.00 0.00 O ATOM 1294 CB LEU A 99 2.529 -11.030 2.137 1.00 0.00 C ATOM 1295 CG LEU A 99 1.982 -11.881 0.992 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.090 -11.049 0.086 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.125 -12.488 0.197 1.00 0.00 C ATOM 0 H LEU A 99 1.347 -12.327 3.887 1.00 0.00 H new ATOM 0 HA LEU A 99 3.952 -12.516 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.700 -10.490 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.205 -10.283 1.722 1.00 0.00 H new ATOM 0 HG LEU A 99 1.383 -12.687 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.710 -11.673 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.254 -10.654 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.665 -10.223 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.722 -13.092 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.745 -11.692 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.730 -13.116 0.851 1.00 0.00 H new ATOM 1309 N ILE A 100 3.384 -10.096 4.932 1.00 0.00 N ATOM 1310 CA ILE A 100 4.016 -9.087 5.767 1.00 0.00 C ATOM 1311 C ILE A 100 4.780 -9.735 6.922 1.00 0.00 C ATOM 1312 O ILE A 100 5.664 -9.125 7.525 1.00 0.00 O ATOM 1313 CB ILE A 100 2.962 -8.091 6.307 1.00 0.00 C ATOM 1314 CG1 ILE A 100 2.106 -7.570 5.143 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.627 -6.945 7.059 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.198 -6.413 5.494 1.00 0.00 C ATOM 0 H ILE A 100 2.375 -10.174 5.060 1.00 0.00 H new ATOM 0 HA ILE A 100 4.730 -8.538 5.153 1.00 0.00 H new ATOM 0 HB ILE A 100 2.315 -8.608 7.015 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.767 -7.262 4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.497 -8.390 4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.863 -6.260 7.428 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.194 -7.343 7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.300 -6.411 6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.633 -6.113 4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.507 -6.718 6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.798 -5.573 5.844 1.00 0.00 H new ATOM 1328 N SER A 101 4.446 -10.985 7.217 1.00 0.00 N ATOM 1329 CA SER A 101 5.116 -11.718 8.280 1.00 0.00 C ATOM 1330 C SER A 101 6.353 -12.441 7.747 1.00 0.00 C ATOM 1331 O SER A 101 7.252 -12.792 8.510 1.00 0.00 O ATOM 1332 CB SER A 101 4.153 -12.728 8.918 1.00 0.00 C ATOM 1333 OG SER A 101 4.752 -13.414 10.006 1.00 0.00 O ATOM 0 H SER A 101 3.716 -11.510 6.735 1.00 0.00 H new ATOM 0 HA SER A 101 5.434 -11.002 9.038 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.259 -12.209 9.264 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.832 -13.449 8.166 1.00 0.00 H new ATOM 0 HG SER A 101 4.340 -13.120 10.845 1.00 0.00 H new ATOM 1339 N GLY A 102 6.396 -12.657 6.436 1.00 0.00 N ATOM 1340 CA GLY A 102 7.498 -13.389 5.841 1.00 0.00 C ATOM 1341 C GLY A 102 7.202 -14.873 5.725 1.00 0.00 C ATOM 1342 O GLY A 102 8.081 -15.671 5.398 1.00 0.00 O ATOM 0 H GLY A 102 5.687 -12.338 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.709 -12.984 4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.395 -13.245 6.443 1.00 0.00 H new ATOM 1346 N LYS A 103 5.956 -15.239 5.991 1.00 0.00 N ATOM 1347 CA LYS A 103 5.526 -16.631 5.935 1.00 0.00 C ATOM 1348 C LYS A 103 5.190 -17.036 4.510 1.00 0.00 C ATOM 1349 O LYS A 103 5.513 -18.142 4.071 1.00 0.00 O ATOM 1350 CB LYS A 103 4.301 -16.833 6.822 1.00 0.00 C ATOM 1351 CG LYS A 103 4.623 -16.883 8.305 1.00 0.00 C ATOM 1352 CD LYS A 103 3.359 -16.957 9.142 1.00 0.00 C ATOM 1353 CE LYS A 103 3.674 -17.090 10.624 1.00 0.00 C ATOM 1354 NZ LYS A 103 4.467 -15.941 11.138 1.00 0.00 N ATOM 0 H LYS A 103 5.218 -14.585 6.250 1.00 0.00 H new ATOM 0 HA LYS A 103 6.345 -17.255 6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.594 -16.024 6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 103 3.805 -17.760 6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.251 -17.749 8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.196 -15.999 8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.760 -16.062 8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.758 -17.807 8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 103 2.743 -17.166 11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.226 -18.015 10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.112 -15.666 12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 5.467 -16.216 11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.377 -15.137 10.484 1.00 0.00 H new ATOM 1368 N LEU A 104 4.529 -16.138 3.803 1.00 0.00 N ATOM 1369 CA LEU A 104 4.174 -16.365 2.416 1.00 0.00 C ATOM 1370 C LEU A 104 5.111 -15.588 1.504 1.00 0.00 C ATOM 1371 O LEU A 104 5.307 -14.386 1.682 1.00 0.00 O ATOM 1372 CB LEU A 104 2.713 -15.960 2.201 1.00 0.00 C ATOM 1373 CG LEU A 104 2.225 -15.890 0.755 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.429 -17.214 0.042 1.00 0.00 C ATOM 1375 CD2 LEU A 104 0.757 -15.489 0.714 1.00 0.00 C ATOM 0 H LEU A 104 4.225 -15.237 4.172 1.00 0.00 H new ATOM 0 HA LEU A 104 4.280 -17.422 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.081 -16.667 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.560 -14.983 2.659 1.00 0.00 H new ATOM 0 HG LEU A 104 2.814 -15.134 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.072 -17.133 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.489 -17.466 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.872 -17.995 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.421 -15.443 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.163 -16.226 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.634 -14.511 1.179 1.00 0.00 H new ATOM 1387 N ASN A 105 5.707 -16.289 0.548 1.00 0.00 N ATOM 1388 CA ASN A 105 6.649 -15.676 -0.380 1.00 0.00 C ATOM 1389 C ASN A 105 5.911 -14.773 -1.353 1.00 0.00 C ATOM 1390 O ASN A 105 5.030 -15.236 -2.077 1.00 0.00 O ATOM 1391 CB ASN A 105 7.395 -16.747 -1.184 1.00 0.00 C ATOM 1392 CG ASN A 105 8.750 -16.269 -1.675 1.00 0.00 C ATOM 1393 OD1 ASN A 105 8.954 -15.078 -1.908 1.00 0.00 O ATOM 1394 ND2 ASN A 105 9.682 -17.193 -1.847 1.00 0.00 N ATOM 0 H ASN A 105 5.554 -17.286 0.395 1.00 0.00 H new ATOM 0 HA ASN A 105 7.363 -15.096 0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.529 -17.634 -0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.787 -17.044 -2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.607 -16.927 -2.184 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.475 -18.171 -1.643 1.00 0.00 H new ATOM 1401 N PRO A 106 6.261 -13.479 -1.406 1.00 0.00 N ATOM 1402 CA PRO A 106 5.677 -12.567 -2.377 1.00 0.00 C ATOM 1403 C PRO A 106 6.053 -12.976 -3.793 1.00 0.00 C ATOM 1404 O PRO A 106 5.385 -12.610 -4.756 1.00 0.00 O ATOM 1405 CB PRO A 106 6.239 -11.187 -2.032 1.00 0.00 C ATOM 1406 CG PRO A 106 7.062 -11.352 -0.795 1.00 0.00 C ATOM 1407 CD PRO A 106 7.242 -12.823 -0.531 1.00 0.00 C ATOM 0 HA PRO A 106 4.588 -12.574 -2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.846 -10.801 -2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.433 -10.472 -1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.031 -10.868 -0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.572 -10.873 0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.257 -13.146 -0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.061 -13.063 0.517 1.00 0.00 H new ATOM 1415 N GLN A 107 7.124 -13.755 -3.903 1.00 0.00 N ATOM 1416 CA GLN A 107 7.512 -14.364 -5.161 1.00 0.00 C ATOM 1417 C GLN A 107 6.461 -15.365 -5.625 1.00 0.00 C ATOM 1418 O GLN A 107 5.893 -15.225 -6.709 1.00 0.00 O ATOM 1419 CB GLN A 107 8.843 -15.079 -4.999 1.00 0.00 C ATOM 1420 CG GLN A 107 10.033 -14.144 -4.874 1.00 0.00 C ATOM 1421 CD GLN A 107 11.321 -14.867 -4.535 1.00 0.00 C ATOM 1422 OE1 GLN A 107 11.448 -16.105 -4.987 1.00 0.00 O flip ATOM 1423 NE2 GLN A 107 12.199 -14.314 -3.874 1.00 0.00 N flip ATOM 0 H GLN A 107 7.742 -13.979 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 107 7.603 -13.575 -5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.798 -15.714 -4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.998 -15.736 -5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.163 -13.602 -5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.826 -13.402 -4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 107 12.063 -13.359 -3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 107 13.063 -14.811 -3.656 1.00 0.00 H new ATOM 1432 N LYS A 108 6.198 -16.371 -4.793 1.00 0.00 N ATOM 1433 CA LYS A 108 5.236 -17.407 -5.142 1.00 0.00 C ATOM 1434 C LYS A 108 3.844 -16.802 -5.225 1.00 0.00 C ATOM 1435 O LYS A 108 3.014 -17.217 -6.030 1.00 0.00 O ATOM 1436 CB LYS A 108 5.260 -18.561 -4.122 1.00 0.00 C ATOM 1437 CG LYS A 108 4.492 -18.289 -2.834 1.00 0.00 C ATOM 1438 CD LYS A 108 3.434 -19.353 -2.556 1.00 0.00 C ATOM 1439 CE LYS A 108 2.092 -19.017 -3.199 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.028 -19.972 -2.786 1.00 0.00 N ATOM 0 H LYS A 108 6.636 -16.488 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 108 5.510 -17.820 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.847 -19.453 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.297 -18.784 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.191 -18.247 -1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.013 -17.312 -2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.783 -20.315 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.302 -19.458 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.799 -18.004 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.194 -19.033 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.163 -19.785 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.347 -20.946 -2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.830 -19.854 -1.772 1.00 0.00 H new ATOM 1454 N ALA A 109 3.604 -15.801 -4.390 1.00 0.00 N ATOM 1455 CA ALA A 109 2.330 -15.108 -4.385 1.00 0.00 C ATOM 1456 C ALA A 109 2.136 -14.336 -5.684 1.00 0.00 C ATOM 1457 O ALA A 109 1.039 -14.316 -6.240 1.00 0.00 O ATOM 1458 CB ALA A 109 2.237 -14.183 -3.186 1.00 0.00 C ATOM 0 H ALA A 109 4.278 -15.453 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 109 1.532 -15.847 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.275 -13.670 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.328 -14.765 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.041 -13.448 -3.230 1.00 0.00 H new ATOM 1464 N PHE A 110 3.207 -13.712 -6.171 1.00 0.00 N ATOM 1465 CA PHE A 110 3.175 -13.011 -7.451 1.00 0.00 C ATOM 1466 C PHE A 110 2.778 -13.979 -8.557 1.00 0.00 C ATOM 1467 O PHE A 110 1.899 -13.696 -9.371 1.00 0.00 O ATOM 1468 CB PHE A 110 4.551 -12.400 -7.765 1.00 0.00 C ATOM 1469 CG PHE A 110 4.619 -11.637 -9.065 1.00 0.00 C ATOM 1470 CD1 PHE A 110 4.859 -12.292 -10.265 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.451 -10.261 -9.084 1.00 0.00 C ATOM 1472 CE1 PHE A 110 4.928 -11.590 -11.454 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.520 -9.554 -10.270 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.758 -10.220 -11.455 1.00 0.00 C ATOM 0 H PHE A 110 4.109 -13.678 -5.696 1.00 0.00 H new ATOM 0 HA PHE A 110 2.441 -12.207 -7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.831 -11.731 -6.951 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.292 -13.199 -7.789 1.00 0.00 H new ATOM 0 HD1 PHE A 110 4.994 -13.364 -10.270 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.264 -9.734 -8.160 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.115 -12.113 -12.381 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.388 -8.482 -10.269 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.811 -9.670 -12.383 1.00 0.00 H new ATOM 1484 N PHE A 111 3.427 -15.133 -8.552 1.00 0.00 N ATOM 1485 CA PHE A 111 3.218 -16.148 -9.572 1.00 0.00 C ATOM 1486 C PHE A 111 1.788 -16.685 -9.535 1.00 0.00 C ATOM 1487 O PHE A 111 1.184 -16.927 -10.578 1.00 0.00 O ATOM 1488 CB PHE A 111 4.219 -17.290 -9.366 1.00 0.00 C ATOM 1489 CG PHE A 111 4.222 -18.311 -10.467 1.00 0.00 C ATOM 1490 CD1 PHE A 111 5.009 -18.130 -11.592 1.00 0.00 C ATOM 1491 CD2 PHE A 111 3.446 -19.455 -10.375 1.00 0.00 C ATOM 1492 CE1 PHE A 111 5.020 -19.068 -12.605 1.00 0.00 C ATOM 1493 CE2 PHE A 111 3.452 -20.395 -11.384 1.00 0.00 C ATOM 1494 CZ PHE A 111 4.240 -20.202 -12.501 1.00 0.00 C ATOM 0 H PHE A 111 4.112 -15.392 -7.842 1.00 0.00 H new ATOM 0 HA PHE A 111 3.376 -15.695 -10.551 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.220 -16.869 -9.274 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.995 -17.789 -8.423 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.621 -17.245 -11.678 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.829 -19.613 -9.503 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.638 -18.915 -13.477 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.841 -21.281 -11.300 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.246 -20.937 -13.292 1.00 0.00 H new ATOM 1504 N GLN A 112 1.244 -16.850 -8.336 1.00 0.00 N ATOM 1505 CA GLN A 112 -0.065 -17.461 -8.170 1.00 0.00 C ATOM 1506 C GLN A 112 -1.196 -16.430 -8.166 1.00 0.00 C ATOM 1507 O GLN A 112 -2.357 -16.765 -7.925 1.00 0.00 O ATOM 1508 CB GLN A 112 -0.078 -18.292 -6.891 1.00 0.00 C ATOM 1509 CG GLN A 112 0.869 -19.475 -6.958 1.00 0.00 C ATOM 1510 CD GLN A 112 0.502 -20.592 -5.999 1.00 0.00 C ATOM 1511 OE1 GLN A 112 -0.786 -20.787 -5.765 1.00 0.00 O flip ATOM 1512 NE2 GLN A 112 1.376 -21.287 -5.484 1.00 0.00 N flip ATOM 0 H GLN A 112 1.691 -16.568 -7.464 1.00 0.00 H new ATOM 0 HA GLN A 112 -0.245 -18.109 -9.028 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.196 -17.659 -6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -1.090 -18.651 -6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.878 -19.867 -7.975 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.881 -19.135 -6.738 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.359 -21.106 -5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.118 -22.045 -4.852 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.853 -15.179 -8.432 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.865 -14.146 -8.601 1.00 0.00 C ATOM 1523 C GLY A 113 -2.269 -13.465 -7.305 1.00 0.00 C ATOM 1524 O GLY A 113 -3.139 -12.592 -7.298 1.00 0.00 O ATOM 0 H GLY A 113 0.109 -14.856 -8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.490 -13.393 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.750 -14.589 -9.059 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.635 -13.850 -6.209 1.00 0.00 N ATOM 1529 CA LYS A 114 -1.914 -13.252 -4.906 1.00 0.00 C ATOM 1530 C LYS A 114 -1.251 -11.894 -4.794 1.00 0.00 C ATOM 1531 O LYS A 114 -1.619 -11.074 -3.957 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.412 -14.158 -3.787 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.201 -15.441 -3.641 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.347 -15.301 -2.647 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.406 -14.299 -3.092 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.668 -14.498 -2.332 1.00 0.00 N ATOM 0 H LYS A 114 -0.920 -14.577 -6.193 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.993 -13.131 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.367 -14.404 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.448 -13.611 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.599 -15.734 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.535 -16.240 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.815 -16.275 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.947 -14.993 -1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.040 -13.284 -2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.596 -14.413 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.215 -13.613 -2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.229 -15.250 -2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.445 -14.770 -1.353 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.262 -11.682 -5.638 1.00 0.00 N ATOM 1551 CA ILE A 115 0.456 -10.431 -5.684 1.00 0.00 C ATOM 1552 C ILE A 115 0.484 -9.902 -7.114 1.00 0.00 C ATOM 1553 O ILE A 115 1.075 -10.502 -8.016 1.00 0.00 O ATOM 1554 CB ILE A 115 1.882 -10.594 -5.087 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.925 -10.041 -3.677 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.935 -9.886 -5.903 1.00 0.00 C ATOM 1557 CD1 ILE A 115 3.062 -10.582 -2.862 1.00 0.00 C ATOM 0 H ILE A 115 0.065 -12.375 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.061 -9.694 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 115 2.099 -11.662 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.004 -8.955 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.985 -10.271 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.912 -10.032 -5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.947 -10.293 -6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.709 -8.821 -5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.034 -10.145 -1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.972 -11.666 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.007 -10.329 -3.343 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.243 -8.822 -7.326 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.234 -8.125 -8.583 1.00 0.00 C ATOM 1571 C LYS A 116 0.429 -6.765 -8.395 1.00 0.00 C ATOM 1572 O LYS A 116 -0.182 -5.828 -7.880 1.00 0.00 O ATOM 1573 CB LYS A 116 -1.672 -7.991 -9.066 1.00 0.00 C ATOM 1574 CG LYS A 116 -1.892 -6.916 -10.097 1.00 0.00 C ATOM 1575 CD LYS A 116 -1.279 -7.280 -11.436 1.00 0.00 C ATOM 1576 CE LYS A 116 -1.499 -6.183 -12.463 1.00 0.00 C ATOM 1577 NZ LYS A 116 -2.944 -5.953 -12.737 1.00 0.00 N ATOM 0 H LYS A 116 -0.856 -8.407 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 116 0.335 -8.672 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.991 -8.946 -9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.312 -7.788 -8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.961 -6.747 -10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.460 -5.980 -9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.210 -7.456 -11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.716 -8.211 -11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.046 -5.258 -12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -0.993 -6.449 -13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.046 -5.351 -13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.415 -6.865 -12.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.382 -5.483 -11.919 1.00 0.00 H new ATOM 1591 N ILE A 117 1.693 -6.681 -8.774 1.00 0.00 N ATOM 1592 CA ILE A 117 2.476 -5.479 -8.579 1.00 0.00 C ATOM 1593 C ILE A 117 3.071 -4.997 -9.896 1.00 0.00 C ATOM 1594 O ILE A 117 3.602 -5.786 -10.676 1.00 0.00 O ATOM 1595 CB ILE A 117 3.585 -5.727 -7.520 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.850 -4.920 -7.791 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.931 -7.199 -7.432 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.733 -3.454 -7.452 1.00 0.00 C ATOM 0 H ILE A 117 2.201 -7.443 -9.224 1.00 0.00 H new ATOM 0 HA ILE A 117 1.818 -4.693 -8.208 1.00 0.00 H new ATOM 0 HB ILE A 117 3.176 -5.391 -6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.671 -5.350 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.111 -5.018 -8.845 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.710 -7.346 -6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 117 3.044 -7.765 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.289 -7.547 -8.401 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.675 -2.953 -7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.935 -3.006 -8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.504 -3.343 -6.392 1.00 0.00 H new