USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 955 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 46 LYS NZ :NH3+ -176:sc= -0.29 (180deg=-0.336) USER MOD Set 1.2: A 47 THR OG1 : rot 35:sc= 0.127! USER MOD Set 2.1: A 1 MET CE :methyl -144:sc=-0.00399 (180deg=0) USER MOD Set 2.2: A 123 GLN : amide:sc= 0 X(o=-0.004,f=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.501 (180deg=-0.508) USER MOD Single : A 2 GLN : amide:sc= -0.0968 X(o=-0.097,f=-0.018) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -100:sc= -0.552 USER MOD Single : A 31 THR OG1 : rot 156:sc= 0.17 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.75 K(o=-1.8,f=-6.9!) USER MOD Single : A 37 ASN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 45 SER OG : rot 93:sc=0.000472 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -130:sc= 0 (180deg=-0.989) USER MOD Single : A 60 MET CE :methyl -166:sc= -2.11 (180deg=-2.95!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.24 K(o=-2.2,f=-0.25) USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.872) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -3 K(o=-3,f=-3.8) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -117:sc= -1.79 (180deg=-6.19!) USER MOD Single : A 82 THR OG1 : rot -140:sc= -0.258 USER MOD Single : A 84 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.04) USER MOD Single : A 85 SER OG : rot -140:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.0022) USER MOD Single : A 101 TYR OH : rot -118:sc= 0.38 USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= 0.0255 (180deg=0.0161) USER MOD Single : A 120 SER OG : rot 67:sc= 0.713 USER MOD Single : A 121 HIS : no HD1:sc= -0.585 K(o=-0.58,f=-0.021) USER MOD Single : A 122 TYR OH : rot 131:sc= 0.647 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 1.687 1.171 -2.130 1.00 43.34 C ATOM 4 O MET A 1 2.519 1.746 -2.832 1.00 4.45 O ATOM 5 CB MET A 1 1.887 -1.319 -1.992 1.00 2.43 C ATOM 6 CG MET A 1 0.433 -1.603 -2.332 1.00 65.45 C ATOM 7 SD MET A 1 0.203 -3.220 -3.097 1.00 43.14 S ATOM 8 CE MET A 1 -0.232 -4.211 -1.670 1.00 54.23 C ATOM 0 H1 MET A 1 1.610 -0.816 0.581 1.00 0.00 H new ATOM 0 H2 MET A 1 1.518 0.879 0.523 1.00 0.00 H new ATOM 0 H3 MET A 1 0.314 -0.063 -0.217 1.00 0.00 H new ATOM 0 HA MET A 1 3.148 0.104 -0.990 1.00 52.33 H new ATOM 0 HB2 MET A 1 2.470 -1.299 -2.913 1.00 2.43 H new ATOM 0 HB3 MET A 1 2.277 -2.137 -1.386 1.00 2.43 H new ATOM 0 HG2 MET A 1 -0.167 -1.546 -1.423 1.00 65.45 H new ATOM 0 HG3 MET A 1 0.064 -0.830 -3.006 1.00 65.45 H new ATOM 0 HE1 MET A 1 0.194 -5.209 -1.776 1.00 54.23 H new ATOM 0 HE2 MET A 1 0.161 -3.742 -0.768 1.00 54.23 H new ATOM 0 HE3 MET A 1 -1.317 -4.286 -1.596 1.00 54.23 H new ATOM 18 N GLN A 2 0.405 1.519 -2.095 1.00 70.11 N ATOM 19 CA GLN A 2 -0.109 2.622 -2.898 1.00 74.12 C ATOM 20 C GLN A 2 -1.219 3.362 -2.159 1.00 2.41 C ATOM 21 O GLN A 2 -2.246 2.778 -1.813 1.00 65.53 O ATOM 22 CB GLN A 2 -0.632 2.104 -4.239 1.00 63.24 C ATOM 23 CG GLN A 2 -0.165 2.924 -5.432 1.00 32.54 C ATOM 24 CD GLN A 2 0.310 2.060 -6.583 1.00 43.14 C ATOM 25 OE1 GLN A 2 -0.163 2.195 -7.712 1.00 73.30 O ATOM 26 NE2 GLN A 2 1.252 1.167 -6.304 1.00 60.52 N ATOM 0 H GLN A 2 -0.297 1.053 -1.519 1.00 70.11 H new ATOM 0 HA GLN A 2 0.710 3.318 -3.079 1.00 74.12 H new ATOM 0 HB2 GLN A 2 -0.310 1.071 -4.370 1.00 63.24 H new ATOM 0 HB3 GLN A 2 -1.722 2.098 -4.217 1.00 63.24 H new ATOM 0 HG2 GLN A 2 -0.982 3.560 -5.773 1.00 32.54 H new ATOM 0 HG3 GLN A 2 0.644 3.584 -5.120 1.00 32.54 H new ATOM 0 HE21 GLN A 2 1.616 1.089 -5.354 1.00 60.52 H new ATOM 0 HE22 GLN A 2 1.612 0.559 -7.039 1.00 60.52 H new ATOM 35 N ARG A 3 -1.005 4.652 -1.919 1.00 41.01 N ATOM 36 CA ARG A 3 -1.986 5.472 -1.219 1.00 53.12 C ATOM 37 C ARG A 3 -2.194 4.972 0.208 1.00 40.45 C ATOM 38 O ARG A 3 -1.771 3.872 0.558 1.00 22.25 O ATOM 39 CB ARG A 3 -3.318 5.465 -1.972 1.00 41.52 C ATOM 40 CG ARG A 3 -4.220 6.638 -1.624 1.00 52.11 C ATOM 41 CD ARG A 3 -5.339 6.220 -0.683 1.00 30.00 C ATOM 42 NE ARG A 3 -6.622 6.112 -1.372 1.00 71.30 N ATOM 43 CZ ARG A 3 -7.742 5.712 -0.781 1.00 34.23 C ATOM 44 NH1 ARG A 3 -7.737 5.384 0.504 1.00 14.41 N ATOM 45 NH2 ARG A 3 -8.871 5.639 -1.475 1.00 0.22 N ATOM 0 H ARG A 3 -0.161 5.151 -2.199 1.00 41.01 H new ATOM 0 HA ARG A 3 -1.605 6.492 -1.176 1.00 53.12 H new ATOM 0 HB2 ARG A 3 -3.120 5.475 -3.044 1.00 41.52 H new ATOM 0 HB3 ARG A 3 -3.844 4.536 -1.754 1.00 41.52 H new ATOM 0 HG2 ARG A 3 -3.629 7.428 -1.160 1.00 52.11 H new ATOM 0 HG3 ARG A 3 -4.647 7.054 -2.537 1.00 52.11 H new ATOM 0 HD2 ARG A 3 -5.090 5.261 -0.227 1.00 30.00 H new ATOM 0 HD3 ARG A 3 -5.422 6.946 0.126 1.00 30.00 H new ATOM 0 HE ARG A 3 -6.660 6.357 -2.361 1.00 71.30 H new ATOM 0 HH11 ARG A 3 -6.871 5.439 1.041 1.00 14.41 H new ATOM 0 HH12 ARG A 3 -8.599 5.077 0.955 1.00 14.41 H new ATOM 0 HH21 ARG A 3 -8.879 5.890 -2.464 1.00 0.22 H new ATOM 0 HH22 ARG A 3 -9.730 5.332 -1.020 1.00 0.22 H new ATOM 59 N GLY A 4 -2.848 5.790 1.026 1.00 15.44 N ATOM 60 CA GLY A 4 -3.100 5.414 2.405 1.00 11.43 C ATOM 61 C GLY A 4 -3.641 6.565 3.231 1.00 43.24 C ATOM 62 O GLY A 4 -3.726 7.696 2.750 1.00 21.22 O ATOM 0 H GLY A 4 -3.208 6.706 0.759 1.00 15.44 H new ATOM 0 HA2 GLY A 4 -3.811 4.588 2.429 1.00 11.43 H new ATOM 0 HA3 GLY A 4 -2.175 5.052 2.854 1.00 11.43 H new ATOM 66 N ILE A 5 -4.008 6.278 4.475 1.00 72.44 N ATOM 67 CA ILE A 5 -4.544 7.298 5.368 1.00 60.45 C ATOM 68 C ILE A 5 -3.432 8.182 5.921 1.00 12.24 C ATOM 69 O ILE A 5 -2.351 7.700 6.260 1.00 11.41 O ATOM 70 CB ILE A 5 -5.317 6.668 6.542 1.00 41.33 C ATOM 71 CG1 ILE A 5 -6.605 6.012 6.040 1.00 41.43 C ATOM 72 CG2 ILE A 5 -5.628 7.720 7.596 1.00 42.44 C ATOM 73 CD1 ILE A 5 -7.442 5.402 7.142 1.00 3.33 C ATOM 0 H ILE A 5 -3.944 5.347 4.888 1.00 72.44 H new ATOM 0 HA ILE A 5 -5.229 7.907 4.778 1.00 60.45 H new ATOM 0 HB ILE A 5 -4.693 5.899 6.997 1.00 41.33 H new ATOM 0 HG12 ILE A 5 -7.201 6.757 5.512 1.00 41.43 H new ATOM 0 HG13 ILE A 5 -6.350 5.237 5.317 1.00 41.43 H new ATOM 0 HG21 ILE A 5 -6.174 7.260 8.419 1.00 42.44 H new ATOM 0 HG22 ILE A 5 -4.697 8.145 7.971 1.00 42.44 H new ATOM 0 HG23 ILE A 5 -6.236 8.510 7.154 1.00 42.44 H new ATOM 0 HD11 ILE A 5 -8.339 4.955 6.713 1.00 3.33 H new ATOM 0 HD12 ILE A 5 -6.864 4.633 7.655 1.00 3.33 H new ATOM 0 HD13 ILE A 5 -7.727 6.177 7.854 1.00 3.33 H new ATOM 85 N VAL A 6 -3.706 9.480 6.013 1.00 60.14 N ATOM 86 CA VAL A 6 -2.730 10.433 6.528 1.00 33.44 C ATOM 87 C VAL A 6 -3.386 11.433 7.474 1.00 23.32 C ATOM 88 O VAL A 6 -4.044 12.377 7.037 1.00 65.33 O ATOM 89 CB VAL A 6 -2.038 11.200 5.387 1.00 44.22 C ATOM 90 CG1 VAL A 6 -1.067 12.229 5.947 1.00 54.22 C ATOM 91 CG2 VAL A 6 -1.324 10.235 4.453 1.00 65.02 C ATOM 0 H VAL A 6 -4.596 9.895 5.737 1.00 60.14 H new ATOM 0 HA VAL A 6 -1.982 9.857 7.073 1.00 33.44 H new ATOM 0 HB VAL A 6 -2.800 11.728 4.814 1.00 44.22 H new ATOM 0 HG11 VAL A 6 -0.587 12.761 5.126 1.00 54.22 H new ATOM 0 HG12 VAL A 6 -1.609 12.939 6.572 1.00 54.22 H new ATOM 0 HG13 VAL A 6 -0.308 11.725 6.545 1.00 54.22 H new ATOM 0 HG21 VAL A 6 -0.840 10.794 3.652 1.00 65.02 H new ATOM 0 HG22 VAL A 6 -0.572 9.677 5.011 1.00 65.02 H new ATOM 0 HG23 VAL A 6 -2.047 9.541 4.025 1.00 65.02 H new ATOM 101 N TRP A 7 -3.201 11.219 8.772 1.00 51.41 N ATOM 102 CA TRP A 7 -3.774 12.103 9.781 1.00 54.23 C ATOM 103 C TRP A 7 -2.712 13.033 10.357 1.00 32.42 C ATOM 104 O TRP A 7 -1.709 12.579 10.908 1.00 31.22 O ATOM 105 CB TRP A 7 -4.415 11.283 10.902 1.00 53.33 C ATOM 106 CG TRP A 7 -5.643 10.541 10.467 1.00 24.34 C ATOM 107 CD1 TRP A 7 -6.134 10.442 9.197 1.00 31.21 C ATOM 108 CD2 TRP A 7 -6.534 9.795 11.304 1.00 40.22 C ATOM 109 NE1 TRP A 7 -7.277 9.680 9.193 1.00 35.35 N ATOM 110 CE2 TRP A 7 -7.543 9.270 10.473 1.00 15.43 C ATOM 111 CE3 TRP A 7 -6.577 9.518 12.673 1.00 44.22 C ATOM 112 CZ2 TRP A 7 -8.582 8.487 10.969 1.00 32.10 C ATOM 113 CZ3 TRP A 7 -7.608 8.741 13.163 1.00 33.33 C ATOM 114 CH2 TRP A 7 -8.599 8.232 12.313 1.00 32.33 C ATOM 0 H TRP A 7 -2.659 10.442 9.150 1.00 51.41 H new ATOM 0 HA TRP A 7 -4.541 12.712 9.302 1.00 54.23 H new ATOM 0 HB2 TRP A 7 -3.685 10.570 11.284 1.00 53.33 H new ATOM 0 HB3 TRP A 7 -4.674 11.947 11.726 1.00 53.33 H new ATOM 0 HD1 TRP A 7 -5.689 10.896 8.324 1.00 31.21 H new ATOM 0 HE1 TRP A 7 -7.837 9.456 8.370 1.00 35.35 H new ATOM 0 HE3 TRP A 7 -5.817 9.905 13.336 1.00 44.22 H new ATOM 0 HZ2 TRP A 7 -9.347 8.095 10.316 1.00 32.10 H new ATOM 0 HZ3 TRP A 7 -7.651 8.522 14.220 1.00 33.33 H new ATOM 0 HH2 TRP A 7 -9.392 7.627 12.727 1.00 32.33 H new ATOM 125 N VAL A 8 -2.939 14.336 10.227 1.00 24.02 N ATOM 126 CA VAL A 8 -2.001 15.329 10.737 1.00 41.41 C ATOM 127 C VAL A 8 -2.703 16.334 11.643 1.00 34.03 C ATOM 128 O VAL A 8 -3.489 17.161 11.180 1.00 5.41 O ATOM 129 CB VAL A 8 -1.307 16.087 9.589 1.00 13.33 C ATOM 130 CG1 VAL A 8 -0.176 16.950 10.126 1.00 1.54 C ATOM 131 CG2 VAL A 8 -0.793 15.112 8.541 1.00 35.12 C ATOM 0 H VAL A 8 -3.764 14.729 9.773 1.00 24.02 H new ATOM 0 HA VAL A 8 -1.250 14.788 11.313 1.00 41.41 H new ATOM 0 HB VAL A 8 -2.038 16.742 9.115 1.00 13.33 H new ATOM 0 HG11 VAL A 8 0.302 17.478 9.301 1.00 1.54 H new ATOM 0 HG12 VAL A 8 -0.576 17.674 10.836 1.00 1.54 H new ATOM 0 HG13 VAL A 8 0.558 16.318 10.627 1.00 1.54 H new ATOM 0 HG21 VAL A 8 -0.306 15.665 7.738 1.00 35.12 H new ATOM 0 HG22 VAL A 8 -0.076 14.430 8.999 1.00 35.12 H new ATOM 0 HG23 VAL A 8 -1.628 14.541 8.134 1.00 35.12 H new ATOM 141 N VAL A 9 -2.415 16.256 12.939 1.00 55.43 N ATOM 142 CA VAL A 9 -3.018 17.160 13.911 1.00 12.03 C ATOM 143 C VAL A 9 -2.043 18.259 14.319 1.00 70.24 C ATOM 144 O VAL A 9 -1.057 18.003 15.010 1.00 70.10 O ATOM 145 CB VAL A 9 -3.477 16.403 15.172 1.00 70.13 C ATOM 146 CG1 VAL A 9 -2.312 15.652 15.797 1.00 23.25 C ATOM 147 CG2 VAL A 9 -4.102 17.364 16.172 1.00 24.21 C ATOM 0 H VAL A 9 -1.768 15.576 13.339 1.00 55.43 H new ATOM 0 HA VAL A 9 -3.886 17.609 13.429 1.00 12.03 H new ATOM 0 HB VAL A 9 -4.234 15.674 14.882 1.00 70.13 H new ATOM 0 HG11 VAL A 9 -2.655 15.123 16.686 1.00 23.25 H new ATOM 0 HG12 VAL A 9 -1.914 14.935 15.079 1.00 23.25 H new ATOM 0 HG13 VAL A 9 -1.530 16.359 16.074 1.00 23.25 H new ATOM 0 HG21 VAL A 9 -4.421 16.812 17.057 1.00 24.21 H new ATOM 0 HG22 VAL A 9 -3.369 18.118 16.459 1.00 24.21 H new ATOM 0 HG23 VAL A 9 -4.965 17.851 15.718 1.00 24.21 H new ATOM 157 N ASP A 10 -2.325 19.483 13.886 1.00 72.41 N ATOM 158 CA ASP A 10 -1.474 20.622 14.207 1.00 42.33 C ATOM 159 C ASP A 10 -2.275 21.920 14.194 1.00 54.23 C ATOM 160 O ASP A 10 -3.333 22.002 13.569 1.00 34.35 O ATOM 161 CB ASP A 10 -0.314 20.715 13.214 1.00 22.22 C ATOM 162 CG ASP A 10 -0.786 20.764 11.774 1.00 31.44 C ATOM 163 OD1 ASP A 10 -1.342 19.752 11.298 1.00 13.14 O ATOM 164 OD2 ASP A 10 -0.599 21.813 11.123 1.00 22.04 O ATOM 0 H ASP A 10 -3.136 19.711 13.312 1.00 72.41 H new ATOM 0 HA ASP A 10 -1.073 20.473 15.210 1.00 42.33 H new ATOM 0 HB2 ASP A 10 0.275 21.606 13.431 1.00 22.22 H new ATOM 0 HB3 ASP A 10 0.345 19.857 13.348 1.00 22.22 H new ATOM 169 N ASP A 11 -1.765 22.932 14.887 1.00 21.31 N ATOM 170 CA ASP A 11 -2.433 24.226 14.956 1.00 50.14 C ATOM 171 C ASP A 11 -1.676 25.272 14.143 1.00 0.01 C ATOM 172 O ASP A 11 -0.921 26.074 14.694 1.00 34.31 O ATOM 173 CB ASP A 11 -2.557 24.684 16.410 1.00 71.43 C ATOM 174 CG ASP A 11 -3.947 24.458 16.971 1.00 54.31 C ATOM 175 OD1 ASP A 11 -4.293 23.291 17.247 1.00 72.33 O ATOM 176 OD2 ASP A 11 -4.690 25.449 17.133 1.00 1.45 O ATOM 0 H ASP A 11 -0.890 22.881 15.409 1.00 21.31 H new ATOM 0 HA ASP A 11 -3.431 24.115 14.532 1.00 50.14 H new ATOM 0 HB2 ASP A 11 -1.830 24.148 17.020 1.00 71.43 H new ATOM 0 HB3 ASP A 11 -2.309 25.743 16.477 1.00 71.43 H new ATOM 181 N ASP A 12 -1.882 25.257 12.831 1.00 50.11 N ATOM 182 CA ASP A 12 -1.219 26.204 11.942 1.00 51.20 C ATOM 183 C ASP A 12 -1.638 25.974 10.493 1.00 11.52 C ATOM 184 O ASP A 12 -1.497 24.873 9.963 1.00 21.41 O ATOM 185 CB ASP A 12 0.300 26.081 12.072 1.00 11.22 C ATOM 186 CG ASP A 12 0.944 27.361 12.567 1.00 41.20 C ATOM 187 OD1 ASP A 12 0.989 28.340 11.793 1.00 13.01 O ATOM 188 OD2 ASP A 12 1.404 27.384 13.728 1.00 64.01 O ATOM 0 H ASP A 12 -2.503 24.599 12.359 1.00 50.11 H new ATOM 0 HA ASP A 12 -1.521 27.210 12.233 1.00 51.20 H new ATOM 0 HB2 ASP A 12 0.538 25.269 12.759 1.00 11.22 H new ATOM 0 HB3 ASP A 12 0.724 25.815 11.104 1.00 11.22 H new ATOM 193 N SER A 13 -2.155 27.022 9.859 1.00 70.11 N ATOM 194 CA SER A 13 -2.599 26.933 8.473 1.00 55.21 C ATOM 195 C SER A 13 -1.410 26.776 7.530 1.00 13.31 C ATOM 196 O SER A 13 -1.544 26.244 6.428 1.00 4.21 O ATOM 197 CB SER A 13 -3.405 28.177 8.093 1.00 74.11 C ATOM 198 OG SER A 13 -2.604 29.344 8.160 1.00 34.12 O ATOM 0 H SER A 13 -2.277 27.942 10.283 1.00 70.11 H new ATOM 0 HA SER A 13 -3.235 26.053 8.377 1.00 55.21 H new ATOM 0 HB2 SER A 13 -3.803 28.062 7.085 1.00 74.11 H new ATOM 0 HB3 SER A 13 -4.259 28.279 8.763 1.00 74.11 H new ATOM 0 HG SER A 13 -3.142 30.125 7.911 1.00 34.12 H new ATOM 204 N SER A 14 -0.247 27.244 7.972 1.00 71.01 N ATOM 205 CA SER A 14 0.966 27.160 7.167 1.00 30.21 C ATOM 206 C SER A 14 1.378 25.706 6.955 1.00 14.12 C ATOM 207 O SER A 14 1.789 25.320 5.861 1.00 62.50 O ATOM 208 CB SER A 14 2.104 27.931 7.839 1.00 14.11 C ATOM 209 OG SER A 14 3.361 27.352 7.536 1.00 31.35 O ATOM 0 H SER A 14 -0.119 27.685 8.883 1.00 71.01 H new ATOM 0 HA SER A 14 0.758 27.606 6.195 1.00 30.21 H new ATOM 0 HB2 SER A 14 2.089 28.969 7.508 1.00 14.11 H new ATOM 0 HB3 SER A 14 1.954 27.939 8.919 1.00 14.11 H new ATOM 0 HG SER A 14 4.072 27.864 7.976 1.00 31.35 H new ATOM 215 N ILE A 15 1.263 24.906 8.010 1.00 63.23 N ATOM 216 CA ILE A 15 1.622 23.495 7.940 1.00 61.23 C ATOM 217 C ILE A 15 0.457 22.656 7.426 1.00 33.04 C ATOM 218 O ILE A 15 0.647 21.538 6.947 1.00 31.15 O ATOM 219 CB ILE A 15 2.061 22.957 9.314 1.00 21.33 C ATOM 220 CG1 ILE A 15 3.029 23.935 9.984 1.00 35.20 C ATOM 221 CG2 ILE A 15 2.704 21.586 9.166 1.00 74.32 C ATOM 222 CD1 ILE A 15 4.308 24.148 9.206 1.00 71.54 C ATOM 0 H ILE A 15 0.924 25.211 8.923 1.00 63.23 H new ATOM 0 HA ILE A 15 2.458 23.416 7.245 1.00 61.23 H new ATOM 0 HB ILE A 15 1.179 22.857 9.946 1.00 21.33 H new ATOM 0 HG12 ILE A 15 2.530 24.895 10.116 1.00 35.20 H new ATOM 0 HG13 ILE A 15 3.276 23.565 10.979 1.00 35.20 H new ATOM 0 HG21 ILE A 15 3.009 21.219 10.146 1.00 74.32 H new ATOM 0 HG22 ILE A 15 1.986 20.893 8.727 1.00 74.32 H new ATOM 0 HG23 ILE A 15 3.578 21.662 8.519 1.00 74.32 H new ATOM 0 HD11 ILE A 15 4.946 24.852 9.740 1.00 71.54 H new ATOM 0 HD12 ILE A 15 4.830 23.197 9.096 1.00 71.54 H new ATOM 0 HD13 ILE A 15 4.072 24.548 8.220 1.00 71.54 H new ATOM 234 N ARG A 16 -0.750 23.204 7.528 1.00 3.12 N ATOM 235 CA ARG A 16 -1.947 22.507 7.074 1.00 64.34 C ATOM 236 C ARG A 16 -2.117 22.646 5.564 1.00 42.33 C ATOM 237 O ARG A 16 -2.687 21.773 4.910 1.00 34.02 O ATOM 238 CB ARG A 16 -3.184 23.052 7.790 1.00 45.34 C ATOM 239 CG ARG A 16 -3.899 22.018 8.643 1.00 71.21 C ATOM 240 CD ARG A 16 -3.987 22.458 10.096 1.00 45.22 C ATOM 241 NE ARG A 16 -4.543 23.802 10.228 1.00 71.11 N ATOM 242 CZ ARG A 16 -5.845 24.065 10.190 1.00 45.43 C ATOM 243 NH1 ARG A 16 -6.719 23.082 10.025 1.00 43.34 N ATOM 244 NH2 ARG A 16 -6.274 25.314 10.317 1.00 1.43 N ATOM 0 H ARG A 16 -0.924 24.129 7.921 1.00 3.12 H new ATOM 0 HA ARG A 16 -1.834 21.450 7.314 1.00 64.34 H new ATOM 0 HB2 ARG A 16 -2.888 23.890 8.422 1.00 45.34 H new ATOM 0 HB3 ARG A 16 -3.880 23.443 7.048 1.00 45.34 H new ATOM 0 HG2 ARG A 16 -4.902 21.852 8.251 1.00 71.21 H new ATOM 0 HG3 ARG A 16 -3.371 21.066 8.581 1.00 71.21 H new ATOM 0 HD2 ARG A 16 -4.606 21.753 10.651 1.00 45.22 H new ATOM 0 HD3 ARG A 16 -2.994 22.431 10.544 1.00 45.22 H new ATOM 0 HE ARG A 16 -3.897 24.581 10.356 1.00 71.11 H new ATOM 0 HH11 ARG A 16 -6.393 22.121 9.927 1.00 43.34 H new ATOM 0 HH12 ARG A 16 -7.718 23.287 9.996 1.00 43.34 H new ATOM 0 HH21 ARG A 16 -5.604 26.073 10.444 1.00 1.43 H new ATOM 0 HH22 ARG A 16 -7.273 25.515 10.288 1.00 1.43 H new ATOM 258 N TRP A 17 -1.619 23.749 5.017 1.00 3.52 N ATOM 259 CA TRP A 17 -1.716 24.004 3.584 1.00 33.43 C ATOM 260 C TRP A 17 -0.769 23.098 2.805 1.00 20.12 C ATOM 261 O TRP A 17 -1.201 22.303 1.971 1.00 61.43 O ATOM 262 CB TRP A 17 -1.403 25.470 3.283 1.00 2.00 C ATOM 263 CG TRP A 17 -1.113 25.730 1.836 1.00 42.32 C ATOM 264 CD1 TRP A 17 -2.001 25.679 0.800 1.00 70.43 C ATOM 265 CD2 TRP A 17 0.153 26.081 1.265 1.00 34.30 C ATOM 266 NE1 TRP A 17 -1.364 25.976 -0.381 1.00 21.11 N ATOM 267 CE2 TRP A 17 -0.042 26.227 -0.122 1.00 55.24 C ATOM 268 CE3 TRP A 17 1.431 26.287 1.791 1.00 52.12 C ATOM 269 CZ2 TRP A 17 0.994 26.569 -0.987 1.00 74.04 C ATOM 270 CZ3 TRP A 17 2.458 26.626 0.931 1.00 60.11 C ATOM 271 CH2 TRP A 17 2.235 26.765 -0.445 1.00 73.05 C ATOM 0 H TRP A 17 -1.144 24.482 5.544 1.00 3.52 H new ATOM 0 HA TRP A 17 -2.737 23.787 3.270 1.00 33.43 H new ATOM 0 HB2 TRP A 17 -2.247 26.086 3.593 1.00 2.00 H new ATOM 0 HB3 TRP A 17 -0.545 25.781 3.880 1.00 2.00 H new ATOM 0 HD1 TRP A 17 -3.050 25.440 0.895 1.00 70.43 H new ATOM 0 HE1 TRP A 17 -1.804 26.005 -1.301 1.00 21.11 H new ATOM 0 HE3 TRP A 17 1.613 26.183 2.851 1.00 52.12 H new ATOM 0 HZ2 TRP A 17 0.824 26.676 -2.048 1.00 74.04 H new ATOM 0 HZ3 TRP A 17 3.450 26.787 1.327 1.00 60.11 H new ATOM 0 HH2 TRP A 17 3.059 27.032 -1.091 1.00 73.05 H new ATOM 282 N VAL A 18 0.525 23.223 3.083 1.00 50.43 N ATOM 283 CA VAL A 18 1.533 22.415 2.408 1.00 24.33 C ATOM 284 C VAL A 18 1.226 20.928 2.544 1.00 70.43 C ATOM 285 O VAL A 18 1.481 20.144 1.628 1.00 31.33 O ATOM 286 CB VAL A 18 2.941 22.690 2.970 1.00 61.13 C ATOM 287 CG1 VAL A 18 3.491 23.995 2.415 1.00 5.03 C ATOM 288 CG2 VAL A 18 2.912 22.717 4.490 1.00 13.34 C ATOM 0 H VAL A 18 0.900 23.876 3.771 1.00 50.43 H new ATOM 0 HA VAL A 18 1.509 22.694 1.355 1.00 24.33 H new ATOM 0 HB VAL A 18 3.603 21.882 2.657 1.00 61.13 H new ATOM 0 HG11 VAL A 18 4.486 24.173 2.823 1.00 5.03 H new ATOM 0 HG12 VAL A 18 3.550 23.932 1.328 1.00 5.03 H new ATOM 0 HG13 VAL A 18 2.832 24.816 2.696 1.00 5.03 H new ATOM 0 HG21 VAL A 18 3.915 22.912 4.870 1.00 13.34 H new ATOM 0 HG22 VAL A 18 2.237 23.503 4.827 1.00 13.34 H new ATOM 0 HG23 VAL A 18 2.564 21.754 4.864 1.00 13.34 H new ATOM 298 N LEU A 19 0.676 20.545 3.691 1.00 63.01 N ATOM 299 CA LEU A 19 0.333 19.151 3.947 1.00 34.51 C ATOM 300 C LEU A 19 -0.813 18.698 3.048 1.00 52.03 C ATOM 301 O LEU A 19 -0.675 17.743 2.284 1.00 41.31 O ATOM 302 CB LEU A 19 -0.051 18.961 5.416 1.00 71.24 C ATOM 303 CG LEU A 19 1.081 18.547 6.357 1.00 13.20 C ATOM 304 CD1 LEU A 19 1.368 17.060 6.225 1.00 61.31 C ATOM 305 CD2 LEU A 19 2.334 19.362 6.074 1.00 65.21 C ATOM 0 H LEU A 19 0.458 21.181 4.458 1.00 63.01 H new ATOM 0 HA LEU A 19 1.208 18.541 3.724 1.00 34.51 H new ATOM 0 HB2 LEU A 19 -0.479 19.894 5.783 1.00 71.24 H new ATOM 0 HB3 LEU A 19 -0.836 18.207 5.471 1.00 71.24 H new ATOM 0 HG LEU A 19 0.767 18.745 7.382 1.00 13.20 H new ATOM 0 HD11 LEU A 19 2.176 16.784 6.902 1.00 61.31 H new ATOM 0 HD12 LEU A 19 0.472 16.493 6.479 1.00 61.31 H new ATOM 0 HD13 LEU A 19 1.661 16.836 5.199 1.00 61.31 H new ATOM 0 HD21 LEU A 19 3.129 19.054 6.753 1.00 65.21 H new ATOM 0 HD22 LEU A 19 2.651 19.196 5.044 1.00 65.21 H new ATOM 0 HD23 LEU A 19 2.121 20.421 6.222 1.00 65.21 H new ATOM 317 N GLU A 20 -1.943 19.392 3.143 1.00 32.22 N ATOM 318 CA GLU A 20 -3.112 19.061 2.337 1.00 52.33 C ATOM 319 C GLU A 20 -2.814 19.233 0.850 1.00 22.21 C ATOM 320 O GLU A 20 -3.463 18.621 0.001 1.00 3.33 O ATOM 321 CB GLU A 20 -4.299 19.941 2.735 1.00 73.03 C ATOM 322 CG GLU A 20 -5.525 19.741 1.860 1.00 53.03 C ATOM 323 CD GLU A 20 -6.823 19.923 2.623 1.00 2.01 C ATOM 324 OE1 GLU A 20 -6.770 20.403 3.775 1.00 53.41 O ATOM 325 OE2 GLU A 20 -7.890 19.585 2.070 1.00 41.33 O ATOM 0 H GLU A 20 -2.073 20.186 3.770 1.00 32.22 H new ATOM 0 HA GLU A 20 -3.365 18.017 2.521 1.00 52.33 H new ATOM 0 HB2 GLU A 20 -4.564 19.732 3.771 1.00 73.03 H new ATOM 0 HB3 GLU A 20 -3.997 20.987 2.689 1.00 73.03 H new ATOM 0 HG2 GLU A 20 -5.494 20.447 1.030 1.00 53.03 H new ATOM 0 HG3 GLU A 20 -5.499 18.741 1.428 1.00 53.03 H new ATOM 332 N ARG A 21 -1.828 20.069 0.543 1.00 2.53 N ATOM 333 CA ARG A 21 -1.444 20.324 -0.840 1.00 70.51 C ATOM 334 C ARG A 21 -0.601 19.177 -1.390 1.00 22.33 C ATOM 335 O ARG A 21 -0.491 19.000 -2.603 1.00 30.24 O ATOM 336 CB ARG A 21 -0.667 21.637 -0.943 1.00 43.10 C ATOM 337 CG ARG A 21 -0.554 22.169 -2.363 1.00 33.44 C ATOM 338 CD ARG A 21 -0.020 23.592 -2.384 1.00 14.33 C ATOM 339 NE ARG A 21 0.701 23.888 -3.619 1.00 1.14 N ATOM 340 CZ ARG A 21 1.882 23.363 -3.923 1.00 64.44 C ATOM 341 NH1 ARG A 21 2.472 22.519 -3.088 1.00 31.13 N ATOM 342 NH2 ARG A 21 2.476 23.681 -5.067 1.00 22.53 N ATOM 0 H ARG A 21 -1.280 20.582 1.234 1.00 2.53 H new ATOM 0 HA ARG A 21 -2.354 20.402 -1.435 1.00 70.51 H new ATOM 0 HB2 ARG A 21 -1.154 22.387 -0.321 1.00 43.10 H new ATOM 0 HB3 ARG A 21 0.334 21.489 -0.539 1.00 43.10 H new ATOM 0 HG2 ARG A 21 0.105 21.523 -2.943 1.00 33.44 H new ATOM 0 HG3 ARG A 21 -1.532 22.139 -2.843 1.00 33.44 H new ATOM 0 HD2 ARG A 21 -0.848 24.292 -2.271 1.00 14.33 H new ATOM 0 HD3 ARG A 21 0.643 23.743 -1.532 1.00 14.33 H new ATOM 0 HE ARG A 21 0.274 24.533 -4.284 1.00 1.14 H new ATOM 0 HH11 ARG A 21 2.019 22.271 -2.209 1.00 31.13 H new ATOM 0 HH12 ARG A 21 3.379 22.118 -3.325 1.00 31.13 H new ATOM 0 HH21 ARG A 21 2.025 24.329 -5.713 1.00 22.53 H new ATOM 0 HH22 ARG A 21 3.383 23.277 -5.300 1.00 22.53 H new ATOM 356 N ALA A 22 -0.007 18.401 -0.489 1.00 30.03 N ATOM 357 CA ALA A 22 0.825 17.271 -0.883 1.00 73.21 C ATOM 358 C ALA A 22 -0.011 16.007 -1.053 1.00 73.14 C ATOM 359 O ALA A 22 0.092 15.313 -2.066 1.00 42.41 O ATOM 360 CB ALA A 22 1.926 17.043 0.142 1.00 42.24 C ATOM 0 H ALA A 22 -0.087 18.535 0.519 1.00 30.03 H new ATOM 0 HA ALA A 22 1.282 17.506 -1.844 1.00 73.21 H new ATOM 0 HB1 ALA A 22 2.539 16.196 -0.165 1.00 42.24 H new ATOM 0 HB2 ALA A 22 2.548 17.935 0.212 1.00 42.24 H new ATOM 0 HB3 ALA A 22 1.480 16.834 1.114 1.00 42.24 H new ATOM 366 N LEU A 23 -0.839 15.712 -0.057 1.00 40.10 N ATOM 367 CA LEU A 23 -1.693 14.530 -0.096 1.00 52.22 C ATOM 368 C LEU A 23 -2.763 14.667 -1.175 1.00 0.02 C ATOM 369 O LEU A 23 -2.839 13.853 -2.094 1.00 72.33 O ATOM 370 CB LEU A 23 -2.352 14.307 1.266 1.00 10.42 C ATOM 371 CG LEU A 23 -1.451 14.499 2.487 1.00 60.43 C ATOM 372 CD1 LEU A 23 -2.253 14.352 3.771 1.00 60.35 C ATOM 373 CD2 LEU A 23 -0.298 13.506 2.459 1.00 31.44 C ATOM 0 H LEU A 23 -0.937 16.275 0.788 1.00 40.10 H new ATOM 0 HA LEU A 23 -1.069 13.669 -0.336 1.00 52.22 H new ATOM 0 HB2 LEU A 23 -3.199 14.988 1.353 1.00 10.42 H new ATOM 0 HB3 LEU A 23 -2.754 13.294 1.291 1.00 10.42 H new ATOM 0 HG LEU A 23 -1.038 15.507 2.455 1.00 60.43 H new ATOM 0 HD11 LEU A 23 -1.595 14.492 4.629 1.00 60.35 H new ATOM 0 HD12 LEU A 23 -3.044 15.102 3.794 1.00 60.35 H new ATOM 0 HD13 LEU A 23 -2.696 13.357 3.812 1.00 60.35 H new ATOM 0 HD21 LEU A 23 0.333 13.657 3.335 1.00 31.44 H new ATOM 0 HD22 LEU A 23 -0.693 12.490 2.466 1.00 31.44 H new ATOM 0 HD23 LEU A 23 0.292 13.659 1.556 1.00 31.44 H new ATOM 385 N ALA A 24 -3.586 15.704 -1.056 1.00 72.34 N ATOM 386 CA ALA A 24 -4.649 15.950 -2.023 1.00 63.23 C ATOM 387 C ALA A 24 -4.106 15.943 -3.449 1.00 34.44 C ATOM 388 O ALA A 24 -4.818 15.601 -4.392 1.00 51.22 O ATOM 389 CB ALA A 24 -5.337 17.273 -1.725 1.00 53.53 C ATOM 0 H ALA A 24 -3.537 16.387 -0.300 1.00 72.34 H new ATOM 0 HA ALA A 24 -5.379 15.146 -1.936 1.00 63.23 H new ATOM 0 HB1 ALA A 24 -6.128 17.444 -2.455 1.00 53.53 H new ATOM 0 HB2 ALA A 24 -5.767 17.242 -0.724 1.00 53.53 H new ATOM 0 HB3 ALA A 24 -4.609 18.083 -1.783 1.00 53.53 H new ATOM 395 N GLY A 25 -2.841 16.323 -3.597 1.00 61.55 N ATOM 396 CA GLY A 25 -2.225 16.353 -4.911 1.00 53.23 C ATOM 397 C GLY A 25 -1.647 15.011 -5.312 1.00 74.53 C ATOM 398 O GLY A 25 -1.615 14.669 -6.494 1.00 51.22 O ATOM 0 H GLY A 25 -2.232 16.611 -2.831 1.00 61.55 H new ATOM 0 HA2 GLY A 25 -2.966 16.661 -5.649 1.00 53.23 H new ATOM 0 HA3 GLY A 25 -1.434 17.103 -4.921 1.00 53.23 H new ATOM 402 N ALA A 26 -1.188 14.247 -4.326 1.00 11.40 N ATOM 403 CA ALA A 26 -0.609 12.935 -4.582 1.00 62.41 C ATOM 404 C ALA A 26 -1.676 11.846 -4.540 1.00 22.02 C ATOM 405 O ALA A 26 -1.377 10.664 -4.703 1.00 71.30 O ATOM 406 CB ALA A 26 0.491 12.637 -3.574 1.00 45.41 C ATOM 0 H ALA A 26 -1.206 14.515 -3.342 1.00 11.40 H new ATOM 0 HA ALA A 26 -0.177 12.946 -5.583 1.00 62.41 H new ATOM 0 HB1 ALA A 26 0.914 11.653 -3.778 1.00 45.41 H new ATOM 0 HB2 ALA A 26 1.273 13.392 -3.655 1.00 45.41 H new ATOM 0 HB3 ALA A 26 0.075 12.651 -2.567 1.00 45.41 H new ATOM 412 N GLY A 27 -2.922 12.253 -4.319 1.00 11.23 N ATOM 413 CA GLY A 27 -4.014 11.300 -4.258 1.00 34.31 C ATOM 414 C GLY A 27 -4.154 10.664 -2.889 1.00 2.21 C ATOM 415 O GLY A 27 -5.092 9.905 -2.641 1.00 1.42 O ATOM 0 H GLY A 27 -3.195 13.226 -4.181 1.00 11.23 H new ATOM 0 HA2 GLY A 27 -4.945 11.803 -4.518 1.00 34.31 H new ATOM 0 HA3 GLY A 27 -3.853 10.520 -5.003 1.00 34.31 H new ATOM 419 N LEU A 28 -3.218 10.972 -1.998 1.00 30.14 N ATOM 420 CA LEU A 28 -3.239 10.424 -0.646 1.00 13.13 C ATOM 421 C LEU A 28 -4.393 11.011 0.162 1.00 44.23 C ATOM 422 O LEU A 28 -4.769 12.169 -0.024 1.00 11.04 O ATOM 423 CB LEU A 28 -1.912 10.705 0.061 1.00 40.43 C ATOM 424 CG LEU A 28 -0.647 10.435 -0.755 1.00 31.02 C ATOM 425 CD1 LEU A 28 0.556 11.110 -0.114 1.00 54.22 C ATOM 426 CD2 LEU A 28 -0.411 8.938 -0.891 1.00 64.14 C ATOM 0 H LEU A 28 -2.435 11.598 -2.187 1.00 30.14 H new ATOM 0 HA LEU A 28 -3.383 9.346 -0.720 1.00 13.13 H new ATOM 0 HB2 LEU A 28 -1.903 11.749 0.373 1.00 40.43 H new ATOM 0 HB3 LEU A 28 -1.871 10.101 0.968 1.00 40.43 H new ATOM 0 HG LEU A 28 -0.784 10.854 -1.752 1.00 31.02 H new ATOM 0 HD11 LEU A 28 1.447 10.907 -0.708 1.00 54.22 H new ATOM 0 HD12 LEU A 28 0.388 12.186 -0.068 1.00 54.22 H new ATOM 0 HD13 LEU A 28 0.697 10.722 0.895 1.00 54.22 H new ATOM 0 HD21 LEU A 28 0.493 8.764 -1.474 1.00 64.14 H new ATOM 0 HD22 LEU A 28 -0.295 8.497 0.099 1.00 64.14 H new ATOM 0 HD23 LEU A 28 -1.262 8.480 -1.395 1.00 64.14 H new ATOM 438 N THR A 29 -4.950 10.205 1.061 1.00 45.44 N ATOM 439 CA THR A 29 -6.059 10.645 1.897 1.00 21.34 C ATOM 440 C THR A 29 -5.620 11.743 2.860 1.00 75.42 C ATOM 441 O THR A 29 -4.826 11.503 3.770 1.00 63.34 O ATOM 442 CB THR A 29 -6.650 9.475 2.706 1.00 31.33 C ATOM 443 OG1 THR A 29 -6.811 8.328 1.863 1.00 12.44 O ATOM 444 CG2 THR A 29 -7.992 9.858 3.311 1.00 52.50 C ATOM 0 H THR A 29 -4.651 9.244 1.228 1.00 45.44 H new ATOM 0 HA THR A 29 -6.824 11.038 1.227 1.00 21.34 H new ATOM 0 HB THR A 29 -5.960 9.237 3.515 1.00 31.33 H new ATOM 0 HG1 THR A 29 -7.186 7.588 2.385 1.00 12.44 H new ATOM 0 HG21 THR A 29 -8.389 9.016 3.877 1.00 52.50 H new ATOM 0 HG22 THR A 29 -7.861 10.712 3.975 1.00 52.50 H new ATOM 0 HG23 THR A 29 -8.688 10.121 2.515 1.00 52.50 H new ATOM 452 N CYS A 30 -6.143 12.946 2.654 1.00 12.32 N ATOM 453 CA CYS A 30 -5.805 14.082 3.505 1.00 51.24 C ATOM 454 C CYS A 30 -6.773 14.190 4.678 1.00 33.11 C ATOM 455 O CYS A 30 -7.991 14.138 4.500 1.00 1.21 O ATOM 456 CB CYS A 30 -5.823 15.378 2.692 1.00 74.41 C ATOM 457 SG CYS A 30 -5.621 16.875 3.685 1.00 23.10 S ATOM 0 H CYS A 30 -6.802 13.161 1.906 1.00 12.32 H new ATOM 0 HA CYS A 30 -4.801 13.923 3.900 1.00 51.24 H new ATOM 0 HB2 CYS A 30 -5.028 15.338 1.948 1.00 74.41 H new ATOM 0 HB3 CYS A 30 -6.766 15.440 2.148 1.00 74.41 H new ATOM 0 HG CYS A 30 -6.782 17.424 3.883 1.00 23.10 H new ATOM 463 N THR A 31 -6.225 14.339 5.880 1.00 65.31 N ATOM 464 CA THR A 31 -7.039 14.451 7.083 1.00 23.34 C ATOM 465 C THR A 31 -6.421 15.428 8.076 1.00 3.43 C ATOM 466 O THR A 31 -5.224 15.368 8.361 1.00 50.01 O ATOM 467 CB THR A 31 -7.217 13.084 7.770 1.00 34.51 C ATOM 468 OG1 THR A 31 -7.626 12.103 6.810 1.00 20.21 O ATOM 469 CG2 THR A 31 -8.248 13.169 8.886 1.00 71.24 C ATOM 0 H THR A 31 -5.220 14.385 6.046 1.00 65.31 H new ATOM 0 HA THR A 31 -8.015 14.823 6.770 1.00 23.34 H new ATOM 0 HB THR A 31 -6.260 12.792 8.202 1.00 34.51 H new ATOM 0 HG1 THR A 31 -7.368 11.211 7.124 1.00 20.21 H new ATOM 0 HG21 THR A 31 -8.357 12.192 9.356 1.00 71.24 H new ATOM 0 HG22 THR A 31 -7.920 13.895 9.630 1.00 71.24 H new ATOM 0 HG23 THR A 31 -9.207 13.481 8.472 1.00 71.24 H new ATOM 477 N THR A 32 -7.244 16.330 8.603 1.00 40.15 N ATOM 478 CA THR A 32 -6.778 17.321 9.564 1.00 40.42 C ATOM 479 C THR A 32 -7.887 17.708 10.536 1.00 25.12 C ATOM 480 O THR A 32 -9.071 17.556 10.235 1.00 3.14 O ATOM 481 CB THR A 32 -6.265 18.591 8.858 1.00 65.52 C ATOM 482 OG1 THR A 32 -7.220 19.032 7.887 1.00 33.12 O ATOM 483 CG2 THR A 32 -4.929 18.329 8.179 1.00 45.11 C ATOM 0 H THR A 32 -8.237 16.394 8.380 1.00 40.15 H new ATOM 0 HA THR A 32 -5.957 16.864 10.116 1.00 40.42 H new ATOM 0 HB THR A 32 -6.127 19.368 9.610 1.00 65.52 H new ATOM 0 HG1 THR A 32 -6.887 19.840 7.444 1.00 33.12 H new ATOM 0 HG21 THR A 32 -4.586 19.239 7.687 1.00 45.11 H new ATOM 0 HG22 THR A 32 -4.196 18.021 8.925 1.00 45.11 H new ATOM 0 HG23 THR A 32 -5.046 17.538 7.438 1.00 45.11 H new ATOM 491 N PHE A 33 -7.495 18.209 11.703 1.00 34.23 N ATOM 492 CA PHE A 33 -8.457 18.617 12.721 1.00 40.23 C ATOM 493 C PHE A 33 -7.978 19.869 13.450 1.00 31.25 C ATOM 494 O PHE A 33 -8.406 20.981 13.142 1.00 24.33 O ATOM 495 CB PHE A 33 -8.683 17.484 13.723 1.00 30.33 C ATOM 496 CG PHE A 33 -9.142 16.203 13.087 1.00 54.12 C ATOM 497 CD1 PHE A 33 -10.476 16.016 12.760 1.00 42.24 C ATOM 498 CD2 PHE A 33 -8.241 15.187 12.815 1.00 20.31 C ATOM 499 CE1 PHE A 33 -10.901 14.838 12.175 1.00 52.54 C ATOM 500 CE2 PHE A 33 -8.660 14.007 12.230 1.00 75.13 C ATOM 501 CZ PHE A 33 -9.992 13.833 11.908 1.00 13.11 C ATOM 0 H PHE A 33 -6.519 18.342 11.967 1.00 34.23 H new ATOM 0 HA PHE A 33 -9.400 18.845 12.224 1.00 40.23 H new ATOM 0 HB2 PHE A 33 -7.756 17.299 14.265 1.00 30.33 H new ATOM 0 HB3 PHE A 33 -9.424 17.801 14.457 1.00 30.33 H new ATOM 0 HD1 PHE A 33 -11.191 16.799 12.965 1.00 42.24 H new ATOM 0 HD2 PHE A 33 -7.198 15.318 13.063 1.00 20.31 H new ATOM 0 HE1 PHE A 33 -11.943 14.703 11.927 1.00 52.54 H new ATOM 0 HE2 PHE A 33 -7.947 13.222 12.025 1.00 75.13 H new ATOM 0 HZ PHE A 33 -10.322 12.913 11.448 1.00 13.11 H new ATOM 511 N GLU A 34 -7.088 19.678 14.420 1.00 74.44 N ATOM 512 CA GLU A 34 -6.553 20.791 15.194 1.00 24.22 C ATOM 513 C GLU A 34 -5.717 20.285 16.367 1.00 42.33 C ATOM 514 O GLU A 34 -4.512 20.524 16.432 1.00 2.41 O ATOM 515 CB GLU A 34 -7.689 21.677 15.708 1.00 30.04 C ATOM 516 CG GLU A 34 -7.720 23.057 15.073 1.00 71.21 C ATOM 517 CD GLU A 34 -9.067 23.387 14.460 1.00 33.23 C ATOM 518 OE1 GLU A 34 -10.083 23.309 15.182 1.00 31.32 O ATOM 519 OE2 GLU A 34 -9.105 23.723 13.258 1.00 12.52 O ATOM 0 H GLU A 34 -6.723 18.764 14.687 1.00 74.44 H new ATOM 0 HA GLU A 34 -5.911 21.380 14.539 1.00 24.22 H new ATOM 0 HB2 GLU A 34 -8.640 21.179 15.521 1.00 30.04 H new ATOM 0 HB3 GLU A 34 -7.593 21.786 16.788 1.00 30.04 H new ATOM 0 HG2 GLU A 34 -7.475 23.805 15.827 1.00 71.21 H new ATOM 0 HG3 GLU A 34 -6.950 23.116 14.303 1.00 71.21 H new ATOM 526 N ASN A 35 -6.367 19.585 17.291 1.00 42.51 N ATOM 527 CA ASN A 35 -5.685 19.047 18.462 1.00 64.20 C ATOM 528 C ASN A 35 -5.953 17.552 18.608 1.00 11.14 C ATOM 529 O ASN A 35 -6.904 17.022 18.035 1.00 40.51 O ATOM 530 CB ASN A 35 -6.136 19.784 19.725 1.00 70.53 C ATOM 531 CG ASN A 35 -7.586 19.504 20.070 1.00 20.00 C ATOM 532 OD1 ASN A 35 -8.312 18.884 19.293 1.00 53.10 O ATOM 533 ND2 ASN A 35 -8.014 19.962 21.241 1.00 70.32 N ATOM 0 H ASN A 35 -7.365 19.377 17.251 1.00 42.51 H new ATOM 0 HA ASN A 35 -4.613 19.195 18.327 1.00 64.20 H new ATOM 0 HB2 ASN A 35 -5.503 19.488 20.561 1.00 70.53 H new ATOM 0 HB3 ASN A 35 -5.999 20.856 19.585 1.00 70.53 H new ATOM 0 HD21 ASN A 35 -8.980 19.805 21.528 1.00 70.32 H new ATOM 0 HD22 ASN A 35 -7.377 20.471 21.853 1.00 70.32 H new ATOM 540 N GLY A 36 -5.108 16.877 19.382 1.00 43.34 N ATOM 541 CA GLY A 36 -5.271 15.450 19.590 1.00 3.42 C ATOM 542 C GLY A 36 -6.685 15.081 19.991 1.00 10.05 C ATOM 543 O GLY A 36 -7.154 13.983 19.696 1.00 73.02 O ATOM 0 H GLY A 36 -4.314 17.293 19.868 1.00 43.34 H new ATOM 0 HA2 GLY A 36 -5.006 14.920 18.675 1.00 3.42 H new ATOM 0 HA3 GLY A 36 -4.579 15.117 20.363 1.00 3.42 H new ATOM 547 N ASN A 37 -7.366 16.000 20.669 1.00 45.13 N ATOM 548 CA ASN A 37 -8.734 15.764 21.113 1.00 13.34 C ATOM 549 C ASN A 37 -9.602 15.264 19.962 1.00 23.13 C ATOM 550 O ASN A 37 -10.248 14.222 20.067 1.00 24.21 O ATOM 551 CB ASN A 37 -9.331 17.047 21.697 1.00 73.44 C ATOM 552 CG ASN A 37 -10.548 16.777 22.561 1.00 62.00 C ATOM 553 OD1 ASN A 37 -10.444 16.675 23.783 1.00 32.34 O ATOM 554 ND2 ASN A 37 -11.709 16.660 21.928 1.00 52.23 N ATOM 0 H ASN A 37 -6.992 16.915 20.922 1.00 45.13 H new ATOM 0 HA ASN A 37 -8.711 14.996 21.887 1.00 13.34 H new ATOM 0 HB2 ASN A 37 -8.574 17.559 22.290 1.00 73.44 H new ATOM 0 HB3 ASN A 37 -9.607 17.719 20.884 1.00 73.44 H new ATOM 0 HD21 ASN A 37 -12.562 16.478 22.457 1.00 52.23 H new ATOM 0 HD22 ASN A 37 -11.748 16.752 20.913 1.00 52.23 H new ATOM 561 N GLU A 38 -9.610 16.014 18.865 1.00 42.30 N ATOM 562 CA GLU A 38 -10.398 15.646 17.695 1.00 50.33 C ATOM 563 C GLU A 38 -9.966 14.287 17.153 1.00 20.43 C ATOM 564 O GLU A 38 -10.785 13.382 16.990 1.00 50.12 O ATOM 565 CB GLU A 38 -10.258 16.710 16.603 1.00 35.24 C ATOM 566 CG GLU A 38 -11.301 17.812 16.691 1.00 44.11 C ATOM 567 CD GLU A 38 -10.684 19.197 16.708 1.00 54.51 C ATOM 568 OE1 GLU A 38 -10.489 19.774 15.618 1.00 52.13 O ATOM 569 OE2 GLU A 38 -10.398 19.705 17.813 1.00 64.05 O ATOM 0 H GLU A 38 -9.080 16.879 18.762 1.00 42.30 H new ATOM 0 HA GLU A 38 -11.443 15.581 17.999 1.00 50.33 H new ATOM 0 HB2 GLU A 38 -9.265 17.155 16.666 1.00 35.24 H new ATOM 0 HB3 GLU A 38 -10.331 16.229 15.627 1.00 35.24 H new ATOM 0 HG2 GLU A 38 -11.982 17.732 15.844 1.00 44.11 H new ATOM 0 HG3 GLU A 38 -11.897 17.672 17.593 1.00 44.11 H new ATOM 576 N VAL A 39 -8.673 14.150 16.876 1.00 11.21 N ATOM 577 CA VAL A 39 -8.131 12.902 16.354 1.00 62.34 C ATOM 578 C VAL A 39 -8.574 11.713 17.200 1.00 44.41 C ATOM 579 O VAL A 39 -8.704 10.595 16.700 1.00 54.31 O ATOM 580 CB VAL A 39 -6.592 12.936 16.302 1.00 2.22 C ATOM 581 CG1 VAL A 39 -6.029 11.527 16.202 1.00 60.33 C ATOM 582 CG2 VAL A 39 -6.117 13.793 15.138 1.00 31.13 C ATOM 0 H VAL A 39 -7.982 14.889 17.005 1.00 11.21 H new ATOM 0 HA VAL A 39 -8.519 12.788 15.342 1.00 62.34 H new ATOM 0 HB VAL A 39 -6.225 13.383 17.226 1.00 2.22 H new ATOM 0 HG11 VAL A 39 -4.941 11.572 16.166 1.00 60.33 H new ATOM 0 HG12 VAL A 39 -6.340 10.948 17.072 1.00 60.33 H new ATOM 0 HG13 VAL A 39 -6.402 11.049 15.296 1.00 60.33 H new ATOM 0 HG21 VAL A 39 -5.027 13.806 15.117 1.00 31.13 H new ATOM 0 HG22 VAL A 39 -6.494 13.378 14.203 1.00 31.13 H new ATOM 0 HG23 VAL A 39 -6.489 14.810 15.259 1.00 31.13 H new ATOM 592 N LEU A 40 -8.804 11.962 18.484 1.00 4.14 N ATOM 593 CA LEU A 40 -9.233 10.912 19.402 1.00 50.50 C ATOM 594 C LEU A 40 -10.496 10.226 18.892 1.00 52.42 C ATOM 595 O LEU A 40 -10.518 9.012 18.694 1.00 13.04 O ATOM 596 CB LEU A 40 -9.482 11.495 20.794 1.00 13.41 C ATOM 597 CG LEU A 40 -9.212 10.559 21.972 1.00 30.22 C ATOM 598 CD1 LEU A 40 -9.945 9.240 21.784 1.00 30.43 C ATOM 599 CD2 LEU A 40 -7.717 10.322 22.134 1.00 55.34 C ATOM 0 H LEU A 40 -8.701 12.881 18.913 1.00 4.14 H new ATOM 0 HA LEU A 40 -8.438 10.169 19.463 1.00 50.50 H new ATOM 0 HB2 LEU A 40 -8.860 12.382 20.911 1.00 13.41 H new ATOM 0 HB3 LEU A 40 -10.520 11.824 20.848 1.00 13.41 H new ATOM 0 HG LEU A 40 -9.585 11.033 22.880 1.00 30.22 H new ATOM 0 HD11 LEU A 40 -9.741 8.586 22.632 1.00 30.43 H new ATOM 0 HD12 LEU A 40 -11.017 9.426 21.718 1.00 30.43 H new ATOM 0 HD13 LEU A 40 -9.603 8.761 20.866 1.00 30.43 H new ATOM 0 HD21 LEU A 40 -7.544 9.653 22.977 1.00 55.34 H new ATOM 0 HD22 LEU A 40 -7.320 9.870 21.225 1.00 55.34 H new ATOM 0 HD23 LEU A 40 -7.216 11.273 22.316 1.00 55.34 H new ATOM 611 N ALA A 41 -11.546 11.013 18.679 1.00 42.45 N ATOM 612 CA ALA A 41 -12.811 10.483 18.187 1.00 32.41 C ATOM 613 C ALA A 41 -12.601 9.621 16.946 1.00 5.35 C ATOM 614 O ALA A 41 -13.332 8.659 16.716 1.00 52.23 O ATOM 615 CB ALA A 41 -13.778 11.618 17.886 1.00 73.12 C ATOM 0 H ALA A 41 -11.545 12.020 18.840 1.00 42.45 H new ATOM 0 HA ALA A 41 -13.239 9.853 18.966 1.00 32.41 H new ATOM 0 HB1 ALA A 41 -14.719 11.207 17.519 1.00 73.12 H new ATOM 0 HB2 ALA A 41 -13.962 12.190 18.795 1.00 73.12 H new ATOM 0 HB3 ALA A 41 -13.347 12.271 17.127 1.00 73.12 H new ATOM 621 N ALA A 42 -11.596 9.974 16.151 1.00 73.04 N ATOM 622 CA ALA A 42 -11.289 9.232 14.934 1.00 10.11 C ATOM 623 C ALA A 42 -10.427 8.012 15.238 1.00 21.43 C ATOM 624 O ALA A 42 -10.561 6.968 14.597 1.00 12.43 O ATOM 625 CB ALA A 42 -10.592 10.135 13.927 1.00 12.11 C ATOM 0 H ALA A 42 -10.981 10.768 16.328 1.00 73.04 H new ATOM 0 HA ALA A 42 -12.228 8.883 14.504 1.00 10.11 H new ATOM 0 HB1 ALA A 42 -10.369 9.568 13.023 1.00 12.11 H new ATOM 0 HB2 ALA A 42 -11.243 10.973 13.678 1.00 12.11 H new ATOM 0 HB3 ALA A 42 -9.664 10.512 14.357 1.00 12.11 H new ATOM 631 N LEU A 43 -9.541 8.148 16.219 1.00 13.40 N ATOM 632 CA LEU A 43 -8.656 7.056 16.608 1.00 1.32 C ATOM 633 C LEU A 43 -9.455 5.870 17.138 1.00 61.25 C ATOM 634 O LEU A 43 -9.255 4.734 16.709 1.00 22.54 O ATOM 635 CB LEU A 43 -7.663 7.532 17.670 1.00 13.14 C ATOM 636 CG LEU A 43 -6.413 8.243 17.151 1.00 73.14 C ATOM 637 CD1 LEU A 43 -5.591 8.790 18.307 1.00 42.33 C ATOM 638 CD2 LEU A 43 -5.578 7.298 16.299 1.00 25.05 C ATOM 0 H LEU A 43 -9.417 9.004 16.759 1.00 13.40 H new ATOM 0 HA LEU A 43 -8.106 6.734 15.724 1.00 1.32 H new ATOM 0 HB2 LEU A 43 -8.184 8.206 18.349 1.00 13.14 H new ATOM 0 HB3 LEU A 43 -7.348 6.669 18.257 1.00 13.14 H new ATOM 0 HG LEU A 43 -6.726 9.081 16.528 1.00 73.14 H new ATOM 0 HD11 LEU A 43 -4.705 9.293 17.918 1.00 42.33 H new ATOM 0 HD12 LEU A 43 -6.191 9.500 18.876 1.00 42.33 H new ATOM 0 HD13 LEU A 43 -5.287 7.970 18.957 1.00 42.33 H new ATOM 0 HD21 LEU A 43 -4.692 7.820 15.938 1.00 25.05 H new ATOM 0 HD22 LEU A 43 -5.274 6.440 16.899 1.00 25.05 H new ATOM 0 HD23 LEU A 43 -6.169 6.956 15.449 1.00 25.05 H new ATOM 650 N ALA A 44 -10.362 6.142 18.070 1.00 51.53 N ATOM 651 CA ALA A 44 -11.194 5.098 18.654 1.00 14.43 C ATOM 652 C ALA A 44 -12.011 4.384 17.583 1.00 34.33 C ATOM 653 O ALA A 44 -12.457 3.253 17.780 1.00 14.44 O ATOM 654 CB ALA A 44 -12.112 5.687 19.716 1.00 41.24 C ATOM 0 H ALA A 44 -10.539 7.077 18.437 1.00 51.53 H new ATOM 0 HA ALA A 44 -10.538 4.364 19.123 1.00 14.43 H new ATOM 0 HB1 ALA A 44 -12.728 4.896 20.144 1.00 41.24 H new ATOM 0 HB2 ALA A 44 -11.512 6.145 20.502 1.00 41.24 H new ATOM 0 HB3 ALA A 44 -12.754 6.442 19.263 1.00 41.24 H new ATOM 660 N SER A 45 -12.205 5.050 16.450 1.00 44.43 N ATOM 661 CA SER A 45 -12.972 4.480 15.349 1.00 54.21 C ATOM 662 C SER A 45 -12.067 3.696 14.404 1.00 31.42 C ATOM 663 O SER A 45 -12.388 2.576 14.004 1.00 10.30 O ATOM 664 CB SER A 45 -13.697 5.585 14.578 1.00 10.53 C ATOM 665 OG SER A 45 -14.830 6.047 15.293 1.00 33.22 O ATOM 0 H SER A 45 -11.841 5.986 16.270 1.00 44.43 H new ATOM 0 HA SER A 45 -13.709 3.796 15.769 1.00 54.21 H new ATOM 0 HB2 SER A 45 -13.014 6.415 14.397 1.00 10.53 H new ATOM 0 HB3 SER A 45 -14.007 5.209 13.603 1.00 10.53 H new ATOM 0 HG SER A 45 -14.578 6.819 15.841 1.00 33.22 H new ATOM 671 N LYS A 46 -10.933 4.291 14.051 1.00 10.22 N ATOM 672 CA LYS A 46 -9.978 3.650 13.155 1.00 54.13 C ATOM 673 C LYS A 46 -8.561 4.146 13.424 1.00 32.35 C ATOM 674 O LYS A 46 -8.344 4.999 14.286 1.00 65.52 O ATOM 675 CB LYS A 46 -10.356 3.921 11.696 1.00 22.25 C ATOM 676 CG LYS A 46 -10.431 2.666 10.845 1.00 65.45 C ATOM 677 CD LYS A 46 -9.842 2.894 9.462 1.00 22.25 C ATOM 678 CE LYS A 46 -8.325 2.991 9.512 1.00 3.41 C ATOM 679 NZ LYS A 46 -7.698 1.698 9.904 1.00 53.51 N ATOM 0 H LYS A 46 -10.652 5.218 14.372 1.00 10.22 H new ATOM 0 HA LYS A 46 -10.009 2.576 13.340 1.00 54.13 H new ATOM 0 HB2 LYS A 46 -11.321 4.428 11.667 1.00 22.25 H new ATOM 0 HB3 LYS A 46 -9.625 4.602 11.260 1.00 22.25 H new ATOM 0 HG2 LYS A 46 -9.895 1.857 11.341 1.00 65.45 H new ATOM 0 HG3 LYS A 46 -11.470 2.350 10.751 1.00 65.45 H new ATOM 0 HD2 LYS A 46 -10.134 2.077 8.802 1.00 22.25 H new ATOM 0 HD3 LYS A 46 -10.253 3.810 9.037 1.00 22.25 H new ATOM 0 HE2 LYS A 46 -7.948 3.296 8.536 1.00 3.41 H new ATOM 0 HE3 LYS A 46 -8.034 3.765 10.222 1.00 3.41 H new ATOM 0 HZ1 LYS A 46 -6.669 1.824 9.992 1.00 53.51 H new ATOM 0 HZ2 LYS A 46 -8.088 1.385 10.816 1.00 53.51 H new ATOM 0 HZ3 LYS A 46 -7.898 0.981 9.178 1.00 53.51 H new ATOM 693 N THR A 47 -7.599 3.607 12.682 1.00 72.13 N ATOM 694 CA THR A 47 -6.203 3.994 12.841 1.00 53.55 C ATOM 695 C THR A 47 -5.563 4.309 11.493 1.00 32.22 C ATOM 696 O THR A 47 -5.589 3.502 10.563 1.00 4.14 O ATOM 697 CB THR A 47 -5.389 2.888 13.537 1.00 1.24 C ATOM 698 OG1 THR A 47 -5.112 1.829 12.615 1.00 71.42 O ATOM 699 CG2 THR A 47 -6.142 2.337 14.739 1.00 2.40 C ATOM 0 H THR A 47 -7.761 2.901 11.964 1.00 72.13 H new ATOM 0 HA THR A 47 -6.192 4.889 13.464 1.00 53.55 H new ATOM 0 HB THR A 47 -4.451 3.322 13.883 1.00 1.24 H new ATOM 0 HG1 THR A 47 -4.977 2.202 11.719 1.00 71.42 H new ATOM 0 HG21 THR A 47 -5.547 1.557 15.215 1.00 2.40 H new ATOM 0 HG22 THR A 47 -6.325 3.140 15.453 1.00 2.40 H new ATOM 0 HG23 THR A 47 -7.094 1.919 14.412 1.00 2.40 H new ATOM 707 N PRO A 48 -4.974 5.509 11.383 1.00 60.43 N ATOM 708 CA PRO A 48 -4.314 5.956 10.152 1.00 15.34 C ATOM 709 C PRO A 48 -3.027 5.189 9.873 1.00 43.03 C ATOM 710 O PRO A 48 -2.528 4.461 10.731 1.00 2.22 O ATOM 711 CB PRO A 48 -4.009 7.430 10.430 1.00 51.42 C ATOM 712 CG PRO A 48 -3.926 7.527 11.914 1.00 2.11 C ATOM 713 CD PRO A 48 -4.906 6.520 12.450 1.00 4.44 C ATOM 0 HA PRO A 48 -4.937 5.793 9.273 1.00 15.34 H new ATOM 0 HB2 PRO A 48 -3.074 7.736 9.961 1.00 51.42 H new ATOM 0 HB3 PRO A 48 -4.791 8.078 10.034 1.00 51.42 H new ATOM 0 HG2 PRO A 48 -2.916 7.313 12.263 1.00 2.11 H new ATOM 0 HG3 PRO A 48 -4.174 8.532 12.254 1.00 2.11 H new ATOM 0 HD2 PRO A 48 -4.565 6.089 13.391 1.00 4.44 H new ATOM 0 HD3 PRO A 48 -5.881 6.970 12.640 1.00 4.44 H new ATOM 721 N ASP A 49 -2.493 5.357 8.668 1.00 75.13 N ATOM 722 CA ASP A 49 -1.262 4.681 8.276 1.00 52.04 C ATOM 723 C ASP A 49 -0.048 5.351 8.912 1.00 52.14 C ATOM 724 O ASP A 49 1.034 4.768 8.975 1.00 61.34 O ATOM 725 CB ASP A 49 -1.119 4.678 6.753 1.00 54.52 C ATOM 726 CG ASP A 49 -1.279 3.293 6.159 1.00 72.14 C ATOM 727 OD1 ASP A 49 -0.850 2.316 6.808 1.00 55.41 O ATOM 728 OD2 ASP A 49 -1.832 3.185 5.044 1.00 53.11 O ATOM 0 H ASP A 49 -2.894 5.956 7.946 1.00 75.13 H new ATOM 0 HA ASP A 49 -1.313 3.651 8.630 1.00 52.04 H new ATOM 0 HB2 ASP A 49 -1.865 5.344 6.320 1.00 54.52 H new ATOM 0 HB3 ASP A 49 -0.141 5.075 6.482 1.00 54.52 H new ATOM 733 N VAL A 50 -0.235 6.580 9.381 1.00 14.52 N ATOM 734 CA VAL A 50 0.844 7.330 10.012 1.00 10.44 C ATOM 735 C VAL A 50 0.367 8.707 10.461 1.00 44.31 C ATOM 736 O VAL A 50 -0.281 9.430 9.703 1.00 71.55 O ATOM 737 CB VAL A 50 2.042 7.499 9.059 1.00 1.23 C ATOM 738 CG1 VAL A 50 1.602 8.154 7.759 1.00 70.23 C ATOM 739 CG2 VAL A 50 3.144 8.309 9.727 1.00 35.40 C ATOM 0 H VAL A 50 -1.124 7.078 9.336 1.00 14.52 H new ATOM 0 HA VAL A 50 1.161 6.757 10.883 1.00 10.44 H new ATOM 0 HB VAL A 50 2.439 6.511 8.824 1.00 1.23 H new ATOM 0 HG11 VAL A 50 2.462 8.265 7.098 1.00 70.23 H new ATOM 0 HG12 VAL A 50 0.850 7.531 7.274 1.00 70.23 H new ATOM 0 HG13 VAL A 50 1.178 9.136 7.971 1.00 70.23 H new ATOM 0 HG21 VAL A 50 3.983 8.419 9.039 1.00 35.40 H new ATOM 0 HG22 VAL A 50 2.761 9.294 9.993 1.00 35.40 H new ATOM 0 HG23 VAL A 50 3.478 7.795 10.628 1.00 35.40 H new ATOM 749 N LEU A 51 0.693 9.066 11.698 1.00 61.12 N ATOM 750 CA LEU A 51 0.299 10.358 12.249 1.00 70.13 C ATOM 751 C LEU A 51 1.494 11.070 12.875 1.00 14.02 C ATOM 752 O LEU A 51 2.393 10.432 13.424 1.00 34.33 O ATOM 753 CB LEU A 51 -0.804 10.174 13.292 1.00 15.41 C ATOM 754 CG LEU A 51 -1.451 11.456 13.817 1.00 15.44 C ATOM 755 CD1 LEU A 51 -2.959 11.288 13.926 1.00 21.43 C ATOM 756 CD2 LEU A 51 -0.857 11.840 15.165 1.00 53.33 C ATOM 0 H LEU A 51 1.229 8.480 12.338 1.00 61.12 H new ATOM 0 HA LEU A 51 -0.080 10.973 11.433 1.00 70.13 H new ATOM 0 HB2 LEU A 51 -1.584 9.547 12.860 1.00 15.41 H new ATOM 0 HB3 LEU A 51 -0.389 9.627 14.139 1.00 15.41 H new ATOM 0 HG LEU A 51 -1.246 12.259 13.109 1.00 15.44 H new ATOM 0 HD11 LEU A 51 -3.402 12.211 14.301 1.00 21.43 H new ATOM 0 HD12 LEU A 51 -3.372 11.061 12.943 1.00 21.43 H new ATOM 0 HD13 LEU A 51 -3.186 10.472 14.612 1.00 21.43 H new ATOM 0 HD21 LEU A 51 -1.329 12.755 15.523 1.00 53.33 H new ATOM 0 HD22 LEU A 51 -1.031 11.037 15.881 1.00 53.33 H new ATOM 0 HD23 LEU A 51 0.215 12.004 15.057 1.00 53.33 H new ATOM 768 N LEU A 52 1.496 12.396 12.791 1.00 32.23 N ATOM 769 CA LEU A 52 2.579 13.196 13.352 1.00 0.02 C ATOM 770 C LEU A 52 2.115 13.944 14.598 1.00 72.11 C ATOM 771 O LEU A 52 1.772 15.124 14.534 1.00 52.44 O ATOM 772 CB LEU A 52 3.098 14.189 12.311 1.00 52.22 C ATOM 773 CG LEU A 52 3.408 13.612 10.929 1.00 4.23 C ATOM 774 CD1 LEU A 52 2.162 13.611 10.059 1.00 75.24 C ATOM 775 CD2 LEU A 52 4.527 14.399 10.262 1.00 55.44 C ATOM 0 H LEU A 52 0.760 12.940 12.340 1.00 32.23 H new ATOM 0 HA LEU A 52 3.387 12.521 13.636 1.00 0.02 H new ATOM 0 HB2 LEU A 52 2.359 14.982 12.194 1.00 52.22 H new ATOM 0 HB3 LEU A 52 4.004 14.653 12.701 1.00 52.22 H new ATOM 0 HG LEU A 52 3.740 12.581 11.053 1.00 4.23 H new ATOM 0 HD11 LEU A 52 2.402 13.197 9.080 1.00 75.24 H new ATOM 0 HD12 LEU A 52 1.390 13.003 10.530 1.00 75.24 H new ATOM 0 HD13 LEU A 52 1.799 14.632 9.942 1.00 75.24 H new ATOM 0 HD21 LEU A 52 4.735 13.975 9.280 1.00 55.44 H new ATOM 0 HD22 LEU A 52 4.224 15.440 10.151 1.00 55.44 H new ATOM 0 HD23 LEU A 52 5.425 14.347 10.877 1.00 55.44 H new ATOM 787 N SER A 53 2.109 13.249 15.731 1.00 13.20 N ATOM 788 CA SER A 53 1.685 13.847 16.992 1.00 44.01 C ATOM 789 C SER A 53 2.432 15.152 17.252 1.00 31.11 C ATOM 790 O SER A 53 3.602 15.292 16.896 1.00 52.35 O ATOM 791 CB SER A 53 1.921 12.872 18.147 1.00 0.33 C ATOM 792 OG SER A 53 3.290 12.518 18.245 1.00 53.40 O ATOM 0 H SER A 53 2.393 12.272 15.802 1.00 13.20 H new ATOM 0 HA SER A 53 0.619 14.066 16.923 1.00 44.01 H new ATOM 0 HB2 SER A 53 1.592 13.325 19.082 1.00 0.33 H new ATOM 0 HB3 SER A 53 1.320 11.975 17.998 1.00 0.33 H new ATOM 0 HG SER A 53 3.414 11.896 18.992 1.00 53.40 H new ATOM 798 N ASP A 54 1.747 16.104 17.876 1.00 74.31 N ATOM 799 CA ASP A 54 2.344 17.398 18.186 1.00 75.43 C ATOM 800 C ASP A 54 2.340 17.652 19.690 1.00 71.41 C ATOM 801 O ASP A 54 1.294 17.591 20.337 1.00 52.22 O ATOM 802 CB ASP A 54 1.590 18.517 17.465 1.00 32.42 C ATOM 803 CG ASP A 54 2.414 19.783 17.340 1.00 64.54 C ATOM 804 OD1 ASP A 54 3.547 19.808 17.865 1.00 21.15 O ATOM 805 OD2 ASP A 54 1.928 20.748 16.715 1.00 74.44 O ATOM 0 H ASP A 54 0.778 16.004 18.177 1.00 74.31 H new ATOM 0 HA ASP A 54 3.378 17.386 17.841 1.00 75.43 H new ATOM 0 HB2 ASP A 54 1.302 18.175 16.471 1.00 32.42 H new ATOM 0 HB3 ASP A 54 0.670 18.738 18.006 1.00 32.42 H new ATOM 810 N ILE A 55 3.516 17.935 20.240 1.00 71.42 N ATOM 811 CA ILE A 55 3.648 18.197 21.667 1.00 14.54 C ATOM 812 C ILE A 55 4.040 19.648 21.925 1.00 12.33 C ATOM 813 O ILE A 55 4.748 19.949 22.887 1.00 52.15 O ATOM 814 CB ILE A 55 4.694 17.272 22.316 1.00 35.42 C ATOM 815 CG1 ILE A 55 5.954 17.205 21.451 1.00 31.22 C ATOM 816 CG2 ILE A 55 4.113 15.881 22.524 1.00 21.15 C ATOM 817 CD1 ILE A 55 5.915 16.108 20.410 1.00 54.31 C ATOM 0 H ILE A 55 4.391 17.989 19.719 1.00 71.42 H new ATOM 0 HA ILE A 55 2.674 18.000 22.115 1.00 14.54 H new ATOM 0 HB ILE A 55 4.966 17.681 23.289 1.00 35.42 H new ATOM 0 HG12 ILE A 55 6.093 18.164 20.952 1.00 31.22 H new ATOM 0 HG13 ILE A 55 6.820 17.052 22.096 1.00 31.22 H new ATOM 0 HG21 ILE A 55 4.864 15.238 22.984 1.00 21.15 H new ATOM 0 HG22 ILE A 55 3.242 15.944 23.176 1.00 21.15 H new ATOM 0 HG23 ILE A 55 3.817 15.463 21.562 1.00 21.15 H new ATOM 0 HD11 ILE A 55 6.840 16.120 19.834 1.00 54.31 H new ATOM 0 HD12 ILE A 55 5.807 15.142 20.903 1.00 54.31 H new ATOM 0 HD13 ILE A 55 5.070 16.271 19.742 1.00 54.31 H new ATOM 829 N ARG A 56 3.573 20.544 21.061 1.00 5.14 N ATOM 830 CA ARG A 56 3.875 21.964 21.196 1.00 51.21 C ATOM 831 C ARG A 56 2.913 22.805 20.362 1.00 12.52 C ATOM 832 O ARG A 56 3.314 23.446 19.391 1.00 25.21 O ATOM 833 CB ARG A 56 5.317 22.244 20.768 1.00 54.24 C ATOM 834 CG ARG A 56 5.758 23.677 21.016 1.00 42.23 C ATOM 835 CD ARG A 56 5.570 24.074 22.472 1.00 65.13 C ATOM 836 NE ARG A 56 4.417 24.950 22.656 1.00 53.12 N ATOM 837 CZ ARG A 56 4.437 26.254 22.405 1.00 11.41 C ATOM 838 NH1 ARG A 56 5.546 26.830 21.962 1.00 54.44 N ATOM 839 NH2 ARG A 56 3.346 26.985 22.597 1.00 2.23 N ATOM 0 H ARG A 56 2.985 20.312 20.261 1.00 5.14 H new ATOM 0 HA ARG A 56 3.755 22.238 22.244 1.00 51.21 H new ATOM 0 HB2 ARG A 56 5.984 21.569 21.305 1.00 54.24 H new ATOM 0 HB3 ARG A 56 5.422 22.019 19.707 1.00 54.24 H new ATOM 0 HG2 ARG A 56 6.806 23.789 20.740 1.00 42.23 H new ATOM 0 HG3 ARG A 56 5.186 24.350 20.377 1.00 42.23 H new ATOM 0 HD2 ARG A 56 5.444 23.177 23.079 1.00 65.13 H new ATOM 0 HD3 ARG A 56 6.468 24.577 22.829 1.00 65.13 H new ATOM 0 HE ARG A 56 3.548 24.538 22.996 1.00 53.12 H new ATOM 0 HH11 ARG A 56 6.386 26.271 21.813 1.00 54.44 H new ATOM 0 HH12 ARG A 56 5.559 27.832 21.770 1.00 54.44 H new ATOM 0 HH21 ARG A 56 2.491 26.545 22.938 1.00 2.23 H new ATOM 0 HH22 ARG A 56 3.363 27.986 22.404 1.00 2.23 H new ATOM 853 N MET A 57 1.641 22.798 20.749 1.00 42.14 N ATOM 854 CA MET A 57 0.622 23.561 20.037 1.00 3.10 C ATOM 855 C MET A 57 -0.472 24.029 20.991 1.00 31.32 C ATOM 856 O MET A 57 -0.680 23.458 22.062 1.00 12.44 O ATOM 857 CB MET A 57 0.012 22.717 18.917 1.00 72.42 C ATOM 858 CG MET A 57 -0.263 21.277 19.322 1.00 41.44 C ATOM 859 SD MET A 57 -1.700 20.582 18.483 1.00 44.13 S ATOM 860 CE MET A 57 -1.958 19.088 19.436 1.00 20.10 C ATOM 0 H MET A 57 1.292 22.273 21.551 1.00 42.14 H new ATOM 0 HA MET A 57 1.099 24.439 19.601 1.00 3.10 H new ATOM 0 HB2 MET A 57 -0.920 23.179 18.592 1.00 72.42 H new ATOM 0 HB3 MET A 57 0.686 22.723 18.061 1.00 72.42 H new ATOM 0 HG2 MET A 57 0.613 20.667 19.099 1.00 41.44 H new ATOM 0 HG3 MET A 57 -0.418 21.230 20.400 1.00 41.44 H new ATOM 0 HE1 MET A 57 -2.052 18.238 18.761 1.00 20.10 H new ATOM 0 HE2 MET A 57 -1.110 18.930 20.102 1.00 20.10 H new ATOM 0 HE3 MET A 57 -2.869 19.186 20.026 1.00 20.10 H new ATOM 870 N PRO A 58 -1.189 25.091 20.596 1.00 2.31 N ATOM 871 CA PRO A 58 -2.274 25.658 21.402 1.00 1.43 C ATOM 872 C PRO A 58 -3.489 24.740 21.467 1.00 71.41 C ATOM 873 O PRO A 58 -4.344 24.885 22.340 1.00 25.21 O ATOM 874 CB PRO A 58 -2.622 26.955 20.667 1.00 72.34 C ATOM 875 CG PRO A 58 -2.202 26.715 19.258 1.00 41.35 C ATOM 876 CD PRO A 58 -0.995 25.821 19.332 1.00 75.34 C ATOM 0 HA PRO A 58 -1.975 25.807 22.440 1.00 1.43 H new ATOM 0 HB2 PRO A 58 -3.688 27.173 20.731 1.00 72.34 H new ATOM 0 HB3 PRO A 58 -2.096 27.807 21.097 1.00 72.34 H new ATOM 0 HG2 PRO A 58 -3.002 26.244 18.687 1.00 41.35 H new ATOM 0 HG3 PRO A 58 -1.963 27.653 18.757 1.00 41.35 H new ATOM 0 HD2 PRO A 58 -0.944 25.143 18.480 1.00 75.34 H new ATOM 0 HD3 PRO A 58 -0.069 26.396 19.338 1.00 75.34 H new ATOM 884 N GLY A 59 -3.560 23.792 20.536 1.00 3.43 N ATOM 885 CA GLY A 59 -4.674 22.864 20.506 1.00 33.43 C ATOM 886 C GLY A 59 -4.862 22.141 21.825 1.00 33.42 C ATOM 887 O GLY A 59 -5.718 22.512 22.628 1.00 41.42 O ATOM 0 H GLY A 59 -2.865 23.651 19.803 1.00 3.43 H new ATOM 0 HA2 GLY A 59 -5.587 23.405 20.259 1.00 33.43 H new ATOM 0 HA3 GLY A 59 -4.512 22.133 19.714 1.00 33.43 H new ATOM 891 N MET A 60 -4.062 21.104 22.049 1.00 21.41 N ATOM 892 CA MET A 60 -4.145 20.326 23.280 1.00 0.43 C ATOM 893 C MET A 60 -2.768 19.822 23.699 1.00 64.34 C ATOM 894 O MET A 60 -2.140 20.378 24.600 1.00 62.21 O ATOM 895 CB MET A 60 -5.101 19.145 23.100 1.00 44.44 C ATOM 896 CG MET A 60 -5.122 18.194 24.285 1.00 42.10 C ATOM 897 SD MET A 60 -6.757 17.495 24.586 1.00 44.53 S ATOM 898 CE MET A 60 -6.637 15.952 23.684 1.00 4.51 C ATOM 0 H MET A 60 -3.349 20.783 21.394 1.00 21.41 H new ATOM 0 HA MET A 60 -4.528 20.977 24.066 1.00 0.43 H new ATOM 0 HB2 MET A 60 -6.108 19.526 22.933 1.00 44.44 H new ATOM 0 HB3 MET A 60 -4.817 18.591 22.205 1.00 44.44 H new ATOM 0 HG2 MET A 60 -4.412 17.386 24.110 1.00 42.10 H new ATOM 0 HG3 MET A 60 -4.788 18.724 25.177 1.00 42.10 H new ATOM 0 HE1 MET A 60 -7.632 15.523 23.563 1.00 4.51 H new ATOM 0 HE2 MET A 60 -6.199 16.137 22.703 1.00 4.51 H new ATOM 0 HE3 MET A 60 -6.007 15.255 24.237 1.00 4.51 H new ATOM 908 N ASP A 61 -2.304 18.766 23.039 1.00 31.11 N ATOM 909 CA ASP A 61 -1.000 18.187 23.342 1.00 35.13 C ATOM 910 C ASP A 61 -0.733 16.964 22.471 1.00 72.41 C ATOM 911 O ASP A 61 -1.528 16.628 21.594 1.00 71.11 O ATOM 912 CB ASP A 61 -0.921 17.803 24.821 1.00 63.44 C ATOM 913 CG ASP A 61 -2.165 17.080 25.299 1.00 65.32 C ATOM 914 OD1 ASP A 61 -2.588 16.118 24.624 1.00 33.43 O ATOM 915 OD2 ASP A 61 -2.714 17.475 26.348 1.00 43.40 O ATOM 0 H ASP A 61 -2.811 18.294 22.291 1.00 31.11 H new ATOM 0 HA ASP A 61 -0.238 18.936 23.128 1.00 35.13 H new ATOM 0 HB2 ASP A 61 -0.050 17.167 24.982 1.00 63.44 H new ATOM 0 HB3 ASP A 61 -0.774 18.702 25.419 1.00 63.44 H new ATOM 920 N GLY A 62 0.393 16.301 22.718 1.00 11.34 N ATOM 921 CA GLY A 62 0.746 15.124 21.947 1.00 34.43 C ATOM 922 C GLY A 62 0.824 13.874 22.801 1.00 31.42 C ATOM 923 O GLY A 62 0.815 12.756 22.282 1.00 12.52 O ATOM 0 H GLY A 62 1.067 16.559 23.439 1.00 11.34 H new ATOM 0 HA2 GLY A 62 0.009 14.976 21.158 1.00 34.43 H new ATOM 0 HA3 GLY A 62 1.707 15.288 21.459 1.00 34.43 H new ATOM 927 N LEU A 63 0.903 14.060 24.114 1.00 12.01 N ATOM 928 CA LEU A 63 0.985 12.938 25.043 1.00 70.14 C ATOM 929 C LEU A 63 -0.377 12.272 25.214 1.00 44.10 C ATOM 930 O LEU A 63 -0.483 11.046 25.220 1.00 42.12 O ATOM 931 CB LEU A 63 1.509 13.411 26.400 1.00 74.21 C ATOM 932 CG LEU A 63 3.006 13.709 26.475 1.00 65.14 C ATOM 933 CD1 LEU A 63 3.370 14.281 27.836 1.00 54.20 C ATOM 934 CD2 LEU A 63 3.815 12.452 26.189 1.00 24.13 C ATOM 0 H LEU A 63 0.912 14.977 24.560 1.00 12.01 H new ATOM 0 HA LEU A 63 1.677 12.205 24.629 1.00 70.14 H new ATOM 0 HB2 LEU A 63 0.965 14.312 26.683 1.00 74.21 H new ATOM 0 HB3 LEU A 63 1.273 12.650 27.143 1.00 74.21 H new ATOM 0 HG LEU A 63 3.247 14.453 25.716 1.00 65.14 H new ATOM 0 HD11 LEU A 63 4.440 14.487 27.870 1.00 54.20 H new ATOM 0 HD12 LEU A 63 2.817 15.206 28.002 1.00 54.20 H new ATOM 0 HD13 LEU A 63 3.114 13.561 28.613 1.00 54.20 H new ATOM 0 HD21 LEU A 63 4.879 12.683 26.247 1.00 24.13 H new ATOM 0 HD22 LEU A 63 3.570 11.686 26.925 1.00 24.13 H new ATOM 0 HD23 LEU A 63 3.577 12.085 25.190 1.00 24.13 H new ATOM 946 N ALA A 64 -1.416 13.089 25.351 1.00 1.02 N ATOM 947 CA ALA A 64 -2.771 12.579 25.518 1.00 13.41 C ATOM 948 C ALA A 64 -3.215 11.787 24.293 1.00 25.21 C ATOM 949 O ALA A 64 -4.003 10.846 24.401 1.00 3.32 O ATOM 950 CB ALA A 64 -3.737 13.725 25.786 1.00 65.33 C ATOM 0 H ALA A 64 -1.345 14.107 25.350 1.00 1.02 H new ATOM 0 HA ALA A 64 -2.776 11.905 26.375 1.00 13.41 H new ATOM 0 HB1 ALA A 64 -4.745 13.330 25.909 1.00 65.33 H new ATOM 0 HB2 ALA A 64 -3.439 14.247 26.695 1.00 65.33 H new ATOM 0 HB3 ALA A 64 -3.719 14.420 24.946 1.00 65.33 H new ATOM 956 N LEU A 65 -2.704 12.172 23.129 1.00 55.23 N ATOM 957 CA LEU A 65 -3.048 11.497 21.882 1.00 55.52 C ATOM 958 C LEU A 65 -2.145 10.291 21.649 1.00 75.53 C ATOM 959 O LEU A 65 -2.604 9.233 21.214 1.00 50.34 O ATOM 960 CB LEU A 65 -2.935 12.469 20.705 1.00 21.54 C ATOM 961 CG LEU A 65 -3.622 12.036 19.409 1.00 4.04 C ATOM 962 CD1 LEU A 65 -5.126 11.936 19.610 1.00 22.41 C ATOM 963 CD2 LEU A 65 -3.296 13.006 18.284 1.00 44.55 C ATOM 0 H LEU A 65 -2.050 12.948 23.022 1.00 55.23 H new ATOM 0 HA LEU A 65 -4.077 11.147 21.959 1.00 55.52 H new ATOM 0 HB2 LEU A 65 -3.352 13.429 21.011 1.00 21.54 H new ATOM 0 HB3 LEU A 65 -1.878 12.633 20.495 1.00 21.54 H new ATOM 0 HG LEU A 65 -3.247 11.051 19.133 1.00 4.04 H new ATOM 0 HD11 LEU A 65 -5.598 11.627 18.677 1.00 22.41 H new ATOM 0 HD12 LEU A 65 -5.341 11.202 20.386 1.00 22.41 H new ATOM 0 HD13 LEU A 65 -5.518 12.908 19.910 1.00 22.41 H new ATOM 0 HD21 LEU A 65 -3.793 12.683 17.369 1.00 44.55 H new ATOM 0 HD22 LEU A 65 -3.643 14.004 18.552 1.00 44.55 H new ATOM 0 HD23 LEU A 65 -2.218 13.028 18.123 1.00 44.55 H new ATOM 975 N LEU A 66 -0.860 10.454 21.943 1.00 54.22 N ATOM 976 CA LEU A 66 0.108 9.377 21.768 1.00 52.24 C ATOM 977 C LEU A 66 -0.121 8.268 22.789 1.00 21.12 C ATOM 978 O LEU A 66 0.213 7.108 22.548 1.00 71.34 O ATOM 979 CB LEU A 66 1.532 9.919 21.897 1.00 43.43 C ATOM 980 CG LEU A 66 2.658 8.906 21.687 1.00 31.20 C ATOM 981 CD1 LEU A 66 2.752 8.508 20.222 1.00 31.02 C ATOM 982 CD2 LEU A 66 3.984 9.473 22.174 1.00 74.42 C ATOM 0 H LEU A 66 -0.464 11.322 22.304 1.00 54.22 H new ATOM 0 HA LEU A 66 -0.026 8.960 20.770 1.00 52.24 H new ATOM 0 HB2 LEU A 66 1.658 10.727 21.176 1.00 43.43 H new ATOM 0 HB3 LEU A 66 1.644 10.356 22.889 1.00 43.43 H new ATOM 0 HG LEU A 66 2.431 8.014 22.271 1.00 31.20 H new ATOM 0 HD11 LEU A 66 3.559 7.787 20.092 1.00 31.02 H new ATOM 0 HD12 LEU A 66 1.810 8.060 19.906 1.00 31.02 H new ATOM 0 HD13 LEU A 66 2.955 9.392 19.617 1.00 31.02 H new ATOM 0 HD21 LEU A 66 4.774 8.738 22.017 1.00 74.42 H new ATOM 0 HD22 LEU A 66 4.217 10.381 21.618 1.00 74.42 H new ATOM 0 HD23 LEU A 66 3.912 9.706 23.236 1.00 74.42 H new ATOM 994 N LYS A 67 -0.694 8.632 23.931 1.00 32.43 N ATOM 995 CA LYS A 67 -0.972 7.668 24.990 1.00 62.34 C ATOM 996 C LYS A 67 -2.021 6.655 24.542 1.00 65.24 C ATOM 997 O LYS A 67 -2.132 5.570 25.113 1.00 42.44 O ATOM 998 CB LYS A 67 -1.450 8.389 26.252 1.00 72.22 C ATOM 999 CG LYS A 67 -0.321 8.815 27.174 1.00 41.44 C ATOM 1000 CD LYS A 67 -0.441 8.163 28.541 1.00 44.22 C ATOM 1001 CE LYS A 67 0.849 8.295 29.336 1.00 1.42 C ATOM 1002 NZ LYS A 67 0.742 7.655 30.677 1.00 41.54 N ATOM 0 H LYS A 67 -0.975 9.588 24.147 1.00 32.43 H new ATOM 0 HA LYS A 67 -0.048 7.134 25.212 1.00 62.34 H new ATOM 0 HB2 LYS A 67 -2.023 9.270 25.962 1.00 72.22 H new ATOM 0 HB3 LYS A 67 -2.128 7.734 26.800 1.00 72.22 H new ATOM 0 HG2 LYS A 67 0.636 8.549 26.726 1.00 41.44 H new ATOM 0 HG3 LYS A 67 -0.330 9.899 27.285 1.00 41.44 H new ATOM 0 HD2 LYS A 67 -1.260 8.623 29.094 1.00 44.22 H new ATOM 0 HD3 LYS A 67 -0.690 7.109 28.422 1.00 44.22 H new ATOM 0 HE2 LYS A 67 1.667 7.838 28.779 1.00 1.42 H new ATOM 0 HE3 LYS A 67 1.096 9.350 29.456 1.00 1.42 H new ATOM 0 HZ1 LYS A 67 1.641 7.766 31.188 1.00 41.54 H new ATOM 0 HZ2 LYS A 67 -0.022 8.108 31.218 1.00 41.54 H new ATOM 0 HZ3 LYS A 67 0.532 6.643 30.563 1.00 41.54 H new ATOM 1016 N GLN A 68 -2.785 7.016 23.516 1.00 34.23 N ATOM 1017 CA GLN A 68 -3.824 6.137 22.992 1.00 12.02 C ATOM 1018 C GLN A 68 -3.246 5.156 21.978 1.00 73.32 C ATOM 1019 O GLN A 68 -3.450 3.946 22.085 1.00 71.04 O ATOM 1020 CB GLN A 68 -4.939 6.960 22.345 1.00 14.12 C ATOM 1021 CG GLN A 68 -6.156 7.144 23.238 1.00 73.33 C ATOM 1022 CD GLN A 68 -7.459 6.879 22.509 1.00 13.44 C ATOM 1023 OE1 GLN A 68 -8.354 6.217 23.035 1.00 72.41 O ATOM 1024 NE2 GLN A 68 -7.573 7.398 21.292 1.00 33.22 N ATOM 0 H GLN A 68 -2.704 7.910 23.032 1.00 34.23 H new ATOM 0 HA GLN A 68 -4.238 5.569 23.825 1.00 12.02 H new ATOM 0 HB2 GLN A 68 -4.546 7.940 22.074 1.00 14.12 H new ATOM 0 HB3 GLN A 68 -5.248 6.474 21.420 1.00 14.12 H new ATOM 0 HG2 GLN A 68 -6.079 6.473 24.093 1.00 73.33 H new ATOM 0 HG3 GLN A 68 -6.164 8.161 23.631 1.00 73.33 H new ATOM 0 HE21 GLN A 68 -6.806 7.940 20.895 1.00 33.22 H new ATOM 0 HE22 GLN A 68 -8.428 7.254 20.754 1.00 33.22 H new ATOM 1033 N ILE A 69 -2.526 5.685 20.995 1.00 62.53 N ATOM 1034 CA ILE A 69 -1.918 4.855 19.962 1.00 72.41 C ATOM 1035 C ILE A 69 -0.807 3.984 20.539 1.00 12.12 C ATOM 1036 O ILE A 69 -0.458 2.948 19.974 1.00 63.33 O ATOM 1037 CB ILE A 69 -1.342 5.711 18.818 1.00 35.43 C ATOM 1038 CG1 ILE A 69 -0.465 6.830 19.382 1.00 63.01 C ATOM 1039 CG2 ILE A 69 -2.467 6.287 17.971 1.00 44.32 C ATOM 1040 CD1 ILE A 69 0.361 7.538 18.330 1.00 33.05 C ATOM 0 H ILE A 69 -2.349 6.684 20.892 1.00 62.53 H new ATOM 0 HA ILE A 69 -2.708 4.217 19.565 1.00 72.41 H new ATOM 0 HB ILE A 69 -0.724 5.076 18.183 1.00 35.43 H new ATOM 0 HG12 ILE A 69 -1.100 7.559 19.886 1.00 63.01 H new ATOM 0 HG13 ILE A 69 0.202 6.413 20.136 1.00 63.01 H new ATOM 0 HG21 ILE A 69 -2.045 6.890 17.167 1.00 44.32 H new ATOM 0 HG22 ILE A 69 -3.055 5.474 17.545 1.00 44.32 H new ATOM 0 HG23 ILE A 69 -3.108 6.911 18.594 1.00 44.32 H new ATOM 0 HD11 ILE A 69 0.958 8.319 18.801 1.00 33.05 H new ATOM 0 HD12 ILE A 69 1.021 6.821 17.842 1.00 33.05 H new ATOM 0 HD13 ILE A 69 -0.301 7.985 17.588 1.00 33.05 H new ATOM 1052 N LYS A 70 -0.256 4.411 21.670 1.00 21.02 N ATOM 1053 CA LYS A 70 0.814 3.670 22.328 1.00 71.01 C ATOM 1054 C LYS A 70 0.246 2.570 23.218 1.00 32.54 C ATOM 1055 O LYS A 70 0.831 1.493 23.339 1.00 14.51 O ATOM 1056 CB LYS A 70 1.681 4.617 23.160 1.00 44.00 C ATOM 1057 CG LYS A 70 2.661 5.430 22.332 1.00 42.13 C ATOM 1058 CD LYS A 70 3.797 4.568 21.806 1.00 34.10 C ATOM 1059 CE LYS A 70 5.086 5.364 21.675 1.00 22.21 C ATOM 1060 NZ LYS A 70 5.377 5.719 20.258 1.00 24.25 N ATOM 0 H LYS A 70 -0.533 5.267 22.151 1.00 21.02 H new ATOM 0 HA LYS A 70 1.429 3.207 21.556 1.00 71.01 H new ATOM 0 HB2 LYS A 70 1.033 5.298 23.713 1.00 44.00 H new ATOM 0 HB3 LYS A 70 2.236 4.036 23.897 1.00 44.00 H new ATOM 0 HG2 LYS A 70 2.136 5.892 21.496 1.00 42.13 H new ATOM 0 HG3 LYS A 70 3.068 6.239 22.939 1.00 42.13 H new ATOM 0 HD2 LYS A 70 3.956 3.724 22.478 1.00 34.10 H new ATOM 0 HD3 LYS A 70 3.523 4.155 20.835 1.00 34.10 H new ATOM 0 HE2 LYS A 70 5.013 6.274 22.270 1.00 22.21 H new ATOM 0 HE3 LYS A 70 5.914 4.784 22.081 1.00 22.21 H new ATOM 0 HZ1 LYS A 70 5.931 6.599 20.227 1.00 24.25 H new ATOM 0 HZ2 LYS A 70 5.920 4.952 19.813 1.00 24.25 H new ATOM 0 HZ3 LYS A 70 4.483 5.854 19.743 1.00 24.25 H new ATOM 1074 N GLN A 71 -0.897 2.847 23.838 1.00 61.20 N ATOM 1075 CA GLN A 71 -1.543 1.879 24.716 1.00 14.14 C ATOM 1076 C GLN A 71 -2.503 0.989 23.933 1.00 12.35 C ATOM 1077 O GLN A 71 -2.388 -0.236 23.957 1.00 33.24 O ATOM 1078 CB GLN A 71 -2.296 2.599 25.837 1.00 24.21 C ATOM 1079 CG GLN A 71 -1.382 3.254 26.860 1.00 42.30 C ATOM 1080 CD GLN A 71 -1.363 2.516 28.184 1.00 64.54 C ATOM 1081 OE1 GLN A 71 -2.367 2.465 28.894 1.00 1.44 O ATOM 1082 NE2 GLN A 71 -0.217 1.937 28.522 1.00 24.42 N ATOM 0 H GLN A 71 -1.394 3.733 23.748 1.00 61.20 H new ATOM 0 HA GLN A 71 -0.768 1.250 25.154 1.00 14.14 H new ATOM 0 HB2 GLN A 71 -2.942 3.360 25.399 1.00 24.21 H new ATOM 0 HB3 GLN A 71 -2.944 1.885 26.345 1.00 24.21 H new ATOM 0 HG2 GLN A 71 -0.369 3.300 26.460 1.00 42.30 H new ATOM 0 HG3 GLN A 71 -1.706 4.281 27.026 1.00 42.30 H new ATOM 0 HE21 GLN A 71 0.591 2.005 27.903 1.00 24.42 H new ATOM 0 HE22 GLN A 71 -0.144 1.424 29.401 1.00 24.42 H new ATOM 1091 N ARG A 72 -3.450 1.614 23.241 1.00 43.14 N ATOM 1092 CA ARG A 72 -4.431 0.879 22.452 1.00 65.43 C ATOM 1093 C ARG A 72 -3.743 -0.106 21.510 1.00 51.42 C ATOM 1094 O ARG A 72 -4.041 -1.301 21.518 1.00 4.53 O ATOM 1095 CB ARG A 72 -5.300 1.847 21.648 1.00 13.23 C ATOM 1096 CG ARG A 72 -6.687 1.308 21.340 1.00 74.31 C ATOM 1097 CD ARG A 72 -7.592 2.389 20.770 1.00 2.31 C ATOM 1098 NE ARG A 72 -8.933 1.887 20.485 1.00 12.10 N ATOM 1099 CZ ARG A 72 -9.862 1.702 21.416 1.00 11.44 C ATOM 1100 NH1 ARG A 72 -9.597 1.978 22.686 1.00 64.31 N ATOM 1101 NH2 ARG A 72 -11.060 1.242 21.079 1.00 62.04 N ATOM 0 H ARG A 72 -3.559 2.628 23.211 1.00 43.14 H new ATOM 0 HA ARG A 72 -5.065 0.318 23.138 1.00 65.43 H new ATOM 0 HB2 ARG A 72 -5.397 2.781 22.202 1.00 13.23 H new ATOM 0 HB3 ARG A 72 -4.795 2.083 20.711 1.00 13.23 H new ATOM 0 HG2 ARG A 72 -6.609 0.485 20.629 1.00 74.31 H new ATOM 0 HG3 ARG A 72 -7.131 0.903 22.249 1.00 74.31 H new ATOM 0 HD2 ARG A 72 -7.657 3.216 21.477 1.00 2.31 H new ATOM 0 HD3 ARG A 72 -7.151 2.785 19.855 1.00 2.31 H new ATOM 0 HE ARG A 72 -9.169 1.666 19.518 1.00 12.10 H new ATOM 0 HH11 ARG A 72 -8.678 2.333 22.950 1.00 64.31 H new ATOM 0 HH12 ARG A 72 -10.312 1.835 23.399 1.00 64.31 H new ATOM 0 HH21 ARG A 72 -11.269 1.030 20.103 1.00 62.04 H new ATOM 0 HH22 ARG A 72 -11.772 1.101 21.795 1.00 62.04 H new ATOM 1115 N HIS A 73 -2.822 0.405 20.698 1.00 75.10 N ATOM 1116 CA HIS A 73 -2.092 -0.429 19.750 1.00 74.03 C ATOM 1117 C HIS A 73 -0.824 0.273 19.273 1.00 34.10 C ATOM 1118 O HIS A 73 -0.798 0.914 18.222 1.00 14.23 O ATOM 1119 CB HIS A 73 -2.979 -0.773 18.553 1.00 74.31 C ATOM 1120 CG HIS A 73 -3.994 0.282 18.236 1.00 44.13 C ATOM 1121 ND1 HIS A 73 -5.340 0.135 18.496 1.00 23.14 N ATOM 1122 CD2 HIS A 73 -3.852 1.507 17.677 1.00 22.05 C ATOM 1123 CE1 HIS A 73 -5.982 1.223 18.111 1.00 71.13 C ATOM 1124 NE2 HIS A 73 -5.102 2.071 17.611 1.00 41.33 N ATOM 0 H HIS A 73 -2.564 1.392 20.678 1.00 75.10 H new ATOM 0 HA HIS A 73 -1.807 -1.350 20.258 1.00 74.03 H new ATOM 0 HB2 HIS A 73 -2.349 -0.933 17.678 1.00 74.31 H new ATOM 0 HB3 HIS A 73 -3.494 -1.713 18.751 1.00 74.31 H new ATOM 0 HD1 HIS A 73 -5.772 -0.686 18.920 1.00 23.14 H new ATOM 0 HD2 HIS A 73 -2.928 1.957 17.345 1.00 22.05 H new ATOM 0 HE1 HIS A 73 -7.046 1.391 18.191 1.00 71.13 H new ATOM 1132 N PRO A 74 0.253 0.151 20.063 1.00 72.23 N ATOM 1133 CA PRO A 74 1.544 0.767 19.742 1.00 73.13 C ATOM 1134 C PRO A 74 2.222 0.103 18.548 1.00 11.21 C ATOM 1135 O PRO A 74 3.254 0.572 18.069 1.00 54.52 O ATOM 1136 CB PRO A 74 2.367 0.549 21.014 1.00 72.03 C ATOM 1137 CG PRO A 74 1.761 -0.651 21.656 1.00 13.43 C ATOM 1138 CD PRO A 74 0.294 -0.599 21.330 1.00 52.34 C ATOM 0 HA PRO A 74 1.437 1.815 19.462 1.00 73.13 H new ATOM 0 HB2 PRO A 74 3.419 0.385 20.781 1.00 72.03 H new ATOM 0 HB3 PRO A 74 2.318 1.417 21.671 1.00 72.03 H new ATOM 0 HG2 PRO A 74 2.213 -1.567 21.276 1.00 13.43 H new ATOM 0 HG3 PRO A 74 1.922 -0.640 22.734 1.00 13.43 H new ATOM 0 HD2 PRO A 74 -0.129 -1.598 21.220 1.00 52.34 H new ATOM 0 HD3 PRO A 74 -0.274 -0.097 22.113 1.00 52.34 H new ATOM 1146 N MET A 75 1.635 -0.991 18.073 1.00 43.52 N ATOM 1147 CA MET A 75 2.183 -1.717 16.933 1.00 21.44 C ATOM 1148 C MET A 75 2.082 -0.886 15.659 1.00 43.34 C ATOM 1149 O MET A 75 2.703 -1.207 14.645 1.00 64.43 O ATOM 1150 CB MET A 75 1.449 -3.047 16.748 1.00 11.34 C ATOM 1151 CG MET A 75 2.349 -4.263 16.894 1.00 34.30 C ATOM 1152 SD MET A 75 3.548 -4.405 15.555 1.00 54.32 S ATOM 1153 CE MET A 75 4.374 -5.930 16.000 1.00 73.42 C ATOM 0 H MET A 75 0.781 -1.394 18.459 1.00 43.52 H new ATOM 0 HA MET A 75 3.236 -1.916 17.133 1.00 21.44 H new ATOM 0 HB2 MET A 75 0.643 -3.112 17.478 1.00 11.34 H new ATOM 0 HB3 MET A 75 0.987 -3.063 15.761 1.00 11.34 H new ATOM 0 HG2 MET A 75 2.878 -4.207 17.845 1.00 34.30 H new ATOM 0 HG3 MET A 75 1.735 -5.163 16.924 1.00 34.30 H new ATOM 0 HE1 MET A 75 5.146 -6.154 15.264 1.00 73.42 H new ATOM 0 HE2 MET A 75 4.830 -5.823 16.984 1.00 73.42 H new ATOM 0 HE3 MET A 75 3.649 -6.743 16.023 1.00 73.42 H new ATOM 1163 N LEU A 76 1.297 0.184 15.716 1.00 33.11 N ATOM 1164 CA LEU A 76 1.114 1.062 14.565 1.00 4.05 C ATOM 1165 C LEU A 76 2.270 2.050 14.446 1.00 2.21 C ATOM 1166 O LEU A 76 2.844 2.496 15.440 1.00 34.45 O ATOM 1167 CB LEU A 76 -0.209 1.820 14.682 1.00 74.41 C ATOM 1168 CG LEU A 76 -0.121 3.246 15.227 1.00 60.42 C ATOM 1169 CD1 LEU A 76 0.005 4.245 14.088 1.00 52.42 C ATOM 1170 CD2 LEU A 76 -1.335 3.564 16.087 1.00 53.12 C ATOM 0 H LEU A 76 0.777 0.465 16.547 1.00 33.11 H new ATOM 0 HA LEU A 76 1.093 0.444 13.667 1.00 4.05 H new ATOM 0 HB2 LEU A 76 -0.671 1.858 13.696 1.00 74.41 H new ATOM 0 HB3 LEU A 76 -0.877 1.247 15.325 1.00 74.41 H new ATOM 0 HG LEU A 76 0.770 3.323 15.850 1.00 60.42 H new ATOM 0 HD11 LEU A 76 0.066 5.254 14.495 1.00 52.42 H new ATOM 0 HD12 LEU A 76 0.906 4.030 13.513 1.00 52.42 H new ATOM 0 HD13 LEU A 76 -0.867 4.168 13.438 1.00 52.42 H new ATOM 0 HD21 LEU A 76 -1.255 4.583 16.466 1.00 53.12 H new ATOM 0 HD22 LEU A 76 -2.240 3.470 15.487 1.00 53.12 H new ATOM 0 HD23 LEU A 76 -1.380 2.868 16.924 1.00 53.12 H new ATOM 1182 N PRO A 77 2.620 2.404 13.201 1.00 64.04 N ATOM 1183 CA PRO A 77 3.709 3.346 12.922 1.00 73.44 C ATOM 1184 C PRO A 77 3.361 4.772 13.334 1.00 22.11 C ATOM 1185 O PRO A 77 2.373 5.340 12.869 1.00 33.15 O ATOM 1186 CB PRO A 77 3.876 3.254 11.403 1.00 44.01 C ATOM 1187 CG PRO A 77 2.547 2.807 10.901 1.00 14.32 C ATOM 1188 CD PRO A 77 1.981 1.912 11.969 1.00 54.32 C ATOM 0 HA PRO A 77 4.613 3.102 13.480 1.00 73.44 H new ATOM 0 HB2 PRO A 77 4.156 4.217 10.977 1.00 44.01 H new ATOM 0 HB3 PRO A 77 4.659 2.546 11.133 1.00 44.01 H new ATOM 0 HG2 PRO A 77 1.892 3.659 10.718 1.00 14.32 H new ATOM 0 HG3 PRO A 77 2.646 2.273 9.956 1.00 14.32 H new ATOM 0 HD2 PRO A 77 0.895 1.987 12.022 1.00 54.32 H new ATOM 0 HD3 PRO A 77 2.219 0.865 11.783 1.00 54.32 H new ATOM 1196 N VAL A 78 4.180 5.346 14.209 1.00 5.32 N ATOM 1197 CA VAL A 78 3.960 6.707 14.683 1.00 4.51 C ATOM 1198 C VAL A 78 5.231 7.542 14.568 1.00 23.42 C ATOM 1199 O VAL A 78 6.337 7.036 14.762 1.00 2.15 O ATOM 1200 CB VAL A 78 3.481 6.722 16.147 1.00 72.53 C ATOM 1201 CG1 VAL A 78 3.281 8.150 16.630 1.00 45.02 C ATOM 1202 CG2 VAL A 78 2.199 5.916 16.295 1.00 53.24 C ATOM 0 H VAL A 78 5.002 4.890 14.604 1.00 5.32 H new ATOM 0 HA VAL A 78 3.185 7.140 14.050 1.00 4.51 H new ATOM 0 HB VAL A 78 4.249 6.259 16.767 1.00 72.53 H new ATOM 0 HG11 VAL A 78 2.943 8.140 17.666 1.00 45.02 H new ATOM 0 HG12 VAL A 78 4.224 8.693 16.562 1.00 45.02 H new ATOM 0 HG13 VAL A 78 2.533 8.643 16.009 1.00 45.02 H new ATOM 0 HG21 VAL A 78 1.874 5.937 17.335 1.00 53.24 H new ATOM 0 HG22 VAL A 78 1.423 6.348 15.664 1.00 53.24 H new ATOM 0 HG23 VAL A 78 2.381 4.885 15.992 1.00 53.24 H new ATOM 1212 N ILE A 79 5.066 8.821 14.252 1.00 53.51 N ATOM 1213 CA ILE A 79 6.200 9.726 14.113 1.00 51.42 C ATOM 1214 C ILE A 79 6.021 10.969 14.979 1.00 64.31 C ATOM 1215 O ILE A 79 4.947 11.569 15.006 1.00 12.32 O ATOM 1216 CB ILE A 79 6.398 10.159 12.648 1.00 2.52 C ATOM 1217 CG1 ILE A 79 6.384 8.939 11.726 1.00 31.41 C ATOM 1218 CG2 ILE A 79 7.701 10.930 12.496 1.00 41.14 C ATOM 1219 CD1 ILE A 79 6.461 9.290 10.257 1.00 44.11 C ATOM 0 H ILE A 79 4.158 9.255 14.087 1.00 53.51 H new ATOM 0 HA ILE A 79 7.083 9.179 14.444 1.00 51.42 H new ATOM 0 HB ILE A 79 5.575 10.814 12.364 1.00 2.52 H new ATOM 0 HG12 ILE A 79 7.223 8.292 11.981 1.00 31.41 H new ATOM 0 HG13 ILE A 79 5.474 8.367 11.907 1.00 31.41 H new ATOM 0 HG21 ILE A 79 7.827 11.229 11.456 1.00 41.14 H new ATOM 0 HG22 ILE A 79 7.675 11.817 13.128 1.00 41.14 H new ATOM 0 HG23 ILE A 79 8.536 10.296 12.795 1.00 41.14 H new ATOM 0 HD11 ILE A 79 6.446 8.376 9.663 1.00 44.11 H new ATOM 0 HD12 ILE A 79 5.608 9.912 9.986 1.00 44.11 H new ATOM 0 HD13 ILE A 79 7.384 9.835 10.061 1.00 44.11 H new ATOM 1231 N ILE A 80 7.082 11.349 15.683 1.00 13.35 N ATOM 1232 CA ILE A 80 7.043 12.522 16.548 1.00 12.11 C ATOM 1233 C ILE A 80 7.374 13.790 15.769 1.00 3.53 C ATOM 1234 O ILE A 80 8.424 13.884 15.134 1.00 1.20 O ATOM 1235 CB ILE A 80 8.025 12.385 17.727 1.00 52.43 C ATOM 1236 CG1 ILE A 80 7.912 10.994 18.354 1.00 44.32 C ATOM 1237 CG2 ILE A 80 7.758 13.464 18.766 1.00 43.00 C ATOM 1238 CD1 ILE A 80 6.519 10.660 18.837 1.00 14.22 C ATOM 0 H ILE A 80 7.978 10.862 15.672 1.00 13.35 H new ATOM 0 HA ILE A 80 6.028 12.593 16.938 1.00 12.11 H new ATOM 0 HB ILE A 80 9.041 12.512 17.352 1.00 52.43 H new ATOM 0 HG12 ILE A 80 8.222 10.248 17.622 1.00 44.32 H new ATOM 0 HG13 ILE A 80 8.605 10.925 19.193 1.00 44.32 H new ATOM 0 HG21 ILE A 80 8.460 13.354 19.593 1.00 43.00 H new ATOM 0 HG22 ILE A 80 7.884 14.446 18.311 1.00 43.00 H new ATOM 0 HG23 ILE A 80 6.739 13.365 19.139 1.00 43.00 H new ATOM 0 HD11 ILE A 80 6.514 9.659 19.269 1.00 14.22 H new ATOM 0 HD12 ILE A 80 6.213 11.383 19.593 1.00 14.22 H new ATOM 0 HD13 ILE A 80 5.824 10.696 17.998 1.00 14.22 H new ATOM 1250 N MET A 81 6.472 14.765 15.825 1.00 44.02 N ATOM 1251 CA MET A 81 6.671 16.030 15.127 1.00 72.03 C ATOM 1252 C MET A 81 6.400 17.211 16.054 1.00 63.32 C ATOM 1253 O MET A 81 5.314 17.333 16.620 1.00 34.03 O ATOM 1254 CB MET A 81 5.758 16.109 13.901 1.00 4.32 C ATOM 1255 CG MET A 81 5.614 17.515 13.341 1.00 63.11 C ATOM 1256 SD MET A 81 4.014 18.254 13.722 1.00 61.35 S ATOM 1257 CE MET A 81 2.975 17.461 12.496 1.00 3.24 C ATOM 0 H MET A 81 5.597 14.703 16.346 1.00 44.02 H new ATOM 0 HA MET A 81 7.710 16.078 14.801 1.00 72.03 H new ATOM 0 HB2 MET A 81 6.151 15.455 13.123 1.00 4.32 H new ATOM 0 HB3 MET A 81 4.771 15.730 14.168 1.00 4.32 H new ATOM 0 HG2 MET A 81 6.406 18.145 13.744 1.00 63.11 H new ATOM 0 HG3 MET A 81 5.749 17.487 12.260 1.00 63.11 H new ATOM 0 HE1 MET A 81 2.569 18.214 11.821 1.00 3.24 H new ATOM 0 HE2 MET A 81 3.567 16.745 11.926 1.00 3.24 H new ATOM 0 HE3 MET A 81 2.157 16.941 12.994 1.00 3.24 H new ATOM 1267 N THR A 82 7.396 18.079 16.205 1.00 33.01 N ATOM 1268 CA THR A 82 7.265 19.249 17.064 1.00 25.24 C ATOM 1269 C THR A 82 8.511 20.125 16.993 1.00 21.44 C ATOM 1270 O THR A 82 9.432 19.850 16.224 1.00 33.45 O ATOM 1271 CB THR A 82 7.019 18.845 18.530 1.00 31.42 C ATOM 1272 OG1 THR A 82 6.602 19.985 19.289 1.00 23.04 O ATOM 1273 CG2 THR A 82 8.276 18.250 19.147 1.00 43.54 C ATOM 0 H THR A 82 8.302 17.993 15.744 1.00 33.01 H new ATOM 0 HA THR A 82 6.406 19.813 16.701 1.00 25.24 H new ATOM 0 HB THR A 82 6.233 18.090 18.548 1.00 31.42 H new ATOM 0 HG1 THR A 82 7.027 19.963 20.172 1.00 23.04 H new ATOM 0 HG21 THR A 82 8.077 17.973 20.182 1.00 43.54 H new ATOM 0 HG22 THR A 82 8.573 17.365 18.585 1.00 43.54 H new ATOM 0 HG23 THR A 82 9.080 18.986 19.117 1.00 43.54 H new ATOM 1281 N ALA A 83 8.534 21.180 17.801 1.00 54.13 N ATOM 1282 CA ALA A 83 9.668 22.095 17.831 1.00 21.30 C ATOM 1283 C ALA A 83 10.622 21.749 18.970 1.00 72.15 C ATOM 1284 O ALA A 83 10.515 20.685 19.580 1.00 25.14 O ATOM 1285 CB ALA A 83 9.185 23.531 17.963 1.00 54.31 C ATOM 0 H ALA A 83 7.780 21.422 18.444 1.00 54.13 H new ATOM 0 HA ALA A 83 10.211 21.991 16.892 1.00 21.30 H new ATOM 0 HB1 ALA A 83 10.043 24.203 17.984 1.00 54.31 H new ATOM 0 HB2 ALA A 83 8.549 23.781 17.113 1.00 54.31 H new ATOM 0 HB3 ALA A 83 8.616 23.640 18.886 1.00 54.31 H new ATOM 1291 N HIS A 84 11.554 22.654 19.250 1.00 64.22 N ATOM 1292 CA HIS A 84 12.528 22.444 20.316 1.00 74.23 C ATOM 1293 C HIS A 84 11.833 22.048 21.615 1.00 1.54 C ATOM 1294 O HIS A 84 12.400 21.332 22.441 1.00 50.35 O ATOM 1295 CB HIS A 84 13.359 23.708 20.532 1.00 1.54 C ATOM 1296 CG HIS A 84 12.556 24.879 21.009 1.00 13.05 C ATOM 1297 ND1 HIS A 84 12.794 25.517 22.208 1.00 2.04 N ATOM 1298 CD2 HIS A 84 11.513 25.528 20.441 1.00 72.14 C ATOM 1299 CE1 HIS A 84 11.932 26.507 22.357 1.00 33.43 C ATOM 1300 NE2 HIS A 84 11.143 26.535 21.298 1.00 63.10 N ATOM 0 H HIS A 84 11.656 23.540 18.754 1.00 64.22 H new ATOM 0 HA HIS A 84 13.190 21.631 20.016 1.00 74.23 H new ATOM 0 HB2 HIS A 84 14.144 23.497 21.258 1.00 1.54 H new ATOM 0 HB3 HIS A 84 13.852 23.973 19.597 1.00 1.54 H new ATOM 0 HD2 HIS A 84 11.056 25.297 19.490 1.00 72.14 H new ATOM 0 HE1 HIS A 84 11.881 27.179 23.201 1.00 33.43 H new ATOM 0 HE2 HIS A 84 10.383 27.197 21.142 1.00 63.10 H new ATOM 1308 N SER A 85 10.603 22.521 21.791 1.00 70.32 N ATOM 1309 CA SER A 85 9.833 22.220 22.992 1.00 10.31 C ATOM 1310 C SER A 85 9.500 20.733 23.066 1.00 54.30 C ATOM 1311 O SER A 85 9.027 20.143 22.094 1.00 25.34 O ATOM 1312 CB SER A 85 8.545 23.045 23.017 1.00 12.23 C ATOM 1313 OG SER A 85 8.269 23.520 24.324 1.00 73.04 O ATOM 0 H SER A 85 10.119 23.114 21.117 1.00 70.32 H new ATOM 0 HA SER A 85 10.441 22.481 23.858 1.00 10.31 H new ATOM 0 HB2 SER A 85 8.636 23.888 22.332 1.00 12.23 H new ATOM 0 HB3 SER A 85 7.712 22.436 22.665 1.00 12.23 H new ATOM 0 HG SER A 85 7.307 23.457 24.499 1.00 73.04 H new ATOM 1319 N ASP A 86 9.749 20.135 24.225 1.00 31.34 N ATOM 1320 CA ASP A 86 9.475 18.717 24.428 1.00 32.22 C ATOM 1321 C ASP A 86 10.337 17.859 23.507 1.00 1.41 C ATOM 1322 O ASP A 86 10.060 16.677 23.302 1.00 34.11 O ATOM 1323 CB ASP A 86 7.994 18.421 24.182 1.00 4.45 C ATOM 1324 CG ASP A 86 7.569 17.082 24.751 1.00 63.33 C ATOM 1325 OD1 ASP A 86 7.175 17.038 25.935 1.00 62.04 O ATOM 1326 OD2 ASP A 86 7.631 16.077 24.012 1.00 65.44 O ATOM 0 H ASP A 86 10.140 20.610 25.039 1.00 31.34 H new ATOM 0 HA ASP A 86 9.721 18.470 25.461 1.00 32.22 H new ATOM 0 HB2 ASP A 86 7.390 19.211 24.629 1.00 4.45 H new ATOM 0 HB3 ASP A 86 7.797 18.436 23.110 1.00 4.45 H new ATOM 1331 N LEU A 87 11.383 18.463 22.953 1.00 20.14 N ATOM 1332 CA LEU A 87 12.286 17.755 22.053 1.00 42.14 C ATOM 1333 C LEU A 87 12.974 16.598 22.770 1.00 61.14 C ATOM 1334 O LEU A 87 13.446 15.654 22.135 1.00 34.14 O ATOM 1335 CB LEU A 87 13.334 18.717 21.490 1.00 24.12 C ATOM 1336 CG LEU A 87 14.545 18.071 20.816 1.00 71.34 C ATOM 1337 CD1 LEU A 87 14.122 17.330 19.557 1.00 62.24 C ATOM 1338 CD2 LEU A 87 15.598 19.120 20.491 1.00 51.21 C ATOM 0 H LEU A 87 11.626 19.441 23.111 1.00 20.14 H new ATOM 0 HA LEU A 87 11.696 17.349 21.232 1.00 42.14 H new ATOM 0 HB2 LEU A 87 12.847 19.371 20.767 1.00 24.12 H new ATOM 0 HB3 LEU A 87 13.690 19.350 22.302 1.00 24.12 H new ATOM 0 HG LEU A 87 14.981 17.351 21.508 1.00 71.34 H new ATOM 0 HD11 LEU A 87 14.997 16.877 19.090 1.00 62.24 H new ATOM 0 HD12 LEU A 87 13.405 16.551 19.817 1.00 62.24 H new ATOM 0 HD13 LEU A 87 13.661 18.030 18.860 1.00 62.24 H new ATOM 0 HD21 LEU A 87 16.452 18.642 20.012 1.00 51.21 H new ATOM 0 HD22 LEU A 87 15.174 19.865 19.817 1.00 51.21 H new ATOM 0 HD23 LEU A 87 15.923 19.606 21.411 1.00 51.21 H new ATOM 1350 N ASP A 88 13.026 16.677 24.095 1.00 71.13 N ATOM 1351 CA ASP A 88 13.653 15.634 24.899 1.00 40.51 C ATOM 1352 C ASP A 88 13.031 14.273 24.605 1.00 14.10 C ATOM 1353 O ASP A 88 13.698 13.243 24.691 1.00 30.25 O ATOM 1354 CB ASP A 88 13.520 15.959 26.387 1.00 13.55 C ATOM 1355 CG ASP A 88 14.548 16.971 26.853 1.00 11.54 C ATOM 1356 OD1 ASP A 88 15.202 17.592 25.990 1.00 4.11 O ATOM 1357 OD2 ASP A 88 14.699 17.142 28.082 1.00 54.25 O ATOM 0 H ASP A 88 12.642 17.452 24.635 1.00 71.13 H new ATOM 0 HA ASP A 88 14.710 15.594 24.637 1.00 40.51 H new ATOM 0 HB2 ASP A 88 12.520 16.345 26.584 1.00 13.55 H new ATOM 0 HB3 ASP A 88 13.628 15.043 26.967 1.00 13.55 H new ATOM 1362 N ALA A 89 11.748 14.277 24.258 1.00 14.15 N ATOM 1363 CA ALA A 89 11.035 13.043 23.951 1.00 4.01 C ATOM 1364 C ALA A 89 11.548 12.421 22.657 1.00 41.14 C ATOM 1365 O ALA A 89 11.377 11.225 22.421 1.00 5.43 O ATOM 1366 CB ALA A 89 9.540 13.306 23.856 1.00 12.33 C ATOM 0 H ALA A 89 11.181 15.121 24.182 1.00 14.15 H new ATOM 0 HA ALA A 89 11.217 12.336 24.761 1.00 4.01 H new ATOM 0 HB1 ALA A 89 9.021 12.376 23.626 1.00 12.33 H new ATOM 0 HB2 ALA A 89 9.178 13.698 24.807 1.00 12.33 H new ATOM 0 HB3 ALA A 89 9.348 14.033 23.067 1.00 12.33 H new ATOM 1372 N ALA A 90 12.176 13.241 21.820 1.00 22.20 N ATOM 1373 CA ALA A 90 12.715 12.770 20.550 1.00 53.41 C ATOM 1374 C ALA A 90 13.668 11.598 20.758 1.00 11.41 C ATOM 1375 O ALA A 90 13.816 10.743 19.885 1.00 33.34 O ATOM 1376 CB ALA A 90 13.421 13.905 19.823 1.00 4.35 C ATOM 0 H ALA A 90 12.324 14.234 21.999 1.00 22.20 H new ATOM 0 HA ALA A 90 11.883 12.423 19.937 1.00 53.41 H new ATOM 0 HB1 ALA A 90 13.819 13.539 18.876 1.00 4.35 H new ATOM 0 HB2 ALA A 90 12.713 14.711 19.632 1.00 4.35 H new ATOM 0 HB3 ALA A 90 14.238 14.279 20.439 1.00 4.35 H new ATOM 1382 N VAL A 91 14.314 11.566 21.920 1.00 74.24 N ATOM 1383 CA VAL A 91 15.253 10.498 22.242 1.00 13.35 C ATOM 1384 C VAL A 91 14.532 9.295 22.840 1.00 24.12 C ATOM 1385 O VAL A 91 14.621 8.183 22.319 1.00 50.44 O ATOM 1386 CB VAL A 91 16.332 10.980 23.231 1.00 74.24 C ATOM 1387 CG1 VAL A 91 17.417 9.927 23.391 1.00 63.41 C ATOM 1388 CG2 VAL A 91 16.924 12.302 22.769 1.00 44.43 C ATOM 0 H VAL A 91 14.204 12.267 22.653 1.00 74.24 H new ATOM 0 HA VAL A 91 15.732 10.204 21.308 1.00 13.35 H new ATOM 0 HB VAL A 91 15.866 11.137 24.204 1.00 74.24 H new ATOM 0 HG11 VAL A 91 18.170 10.285 24.093 1.00 63.41 H new ATOM 0 HG12 VAL A 91 16.976 9.005 23.770 1.00 63.41 H new ATOM 0 HG13 VAL A 91 17.883 9.735 22.425 1.00 63.41 H new ATOM 0 HG21 VAL A 91 17.684 12.628 23.479 1.00 44.43 H new ATOM 0 HG22 VAL A 91 17.377 12.174 21.786 1.00 44.43 H new ATOM 0 HG23 VAL A 91 16.136 13.053 22.711 1.00 44.43 H new ATOM 1398 N SER A 92 13.819 9.524 23.938 1.00 55.44 N ATOM 1399 CA SER A 92 13.085 8.458 24.609 1.00 13.22 C ATOM 1400 C SER A 92 12.191 7.711 23.625 1.00 75.43 C ATOM 1401 O SER A 92 12.077 6.486 23.679 1.00 40.55 O ATOM 1402 CB SER A 92 12.240 9.031 25.749 1.00 23.11 C ATOM 1403 OG SER A 92 11.763 8.001 26.598 1.00 41.15 O ATOM 0 H SER A 92 13.734 10.438 24.382 1.00 55.44 H new ATOM 0 HA SER A 92 13.810 7.755 25.020 1.00 13.22 H new ATOM 0 HB2 SER A 92 12.835 9.737 26.328 1.00 23.11 H new ATOM 0 HB3 SER A 92 11.397 9.587 25.338 1.00 23.11 H new ATOM 0 HG SER A 92 11.227 8.393 27.319 1.00 41.15 H new ATOM 1409 N ALA A 93 11.557 8.457 22.726 1.00 44.13 N ATOM 1410 CA ALA A 93 10.675 7.866 21.727 1.00 13.45 C ATOM 1411 C ALA A 93 11.370 6.733 20.982 1.00 64.24 C ATOM 1412 O ALA A 93 10.803 5.655 20.802 1.00 22.20 O ATOM 1413 CB ALA A 93 10.198 8.930 20.749 1.00 33.24 C ATOM 0 H ALA A 93 11.638 9.472 22.669 1.00 44.13 H new ATOM 0 HA ALA A 93 9.810 7.449 22.243 1.00 13.45 H new ATOM 0 HB1 ALA A 93 9.540 8.475 20.008 1.00 33.24 H new ATOM 0 HB2 ALA A 93 9.654 9.704 21.290 1.00 33.24 H new ATOM 0 HB3 ALA A 93 11.057 9.374 20.247 1.00 33.24 H new ATOM 1419 N TYR A 94 12.601 6.983 20.549 1.00 50.42 N ATOM 1420 CA TYR A 94 13.373 5.984 19.819 1.00 12.43 C ATOM 1421 C TYR A 94 13.518 4.705 20.637 1.00 62.53 C ATOM 1422 O TYR A 94 13.342 3.602 20.119 1.00 13.03 O ATOM 1423 CB TYR A 94 14.755 6.536 19.465 1.00 52.11 C ATOM 1424 CG TYR A 94 14.734 7.543 18.337 1.00 72.10 C ATOM 1425 CD1 TYR A 94 14.061 7.273 17.152 1.00 51.35 C ATOM 1426 CD2 TYR A 94 15.388 8.763 18.456 1.00 34.01 C ATOM 1427 CE1 TYR A 94 14.039 8.190 16.118 1.00 65.30 C ATOM 1428 CE2 TYR A 94 15.370 9.686 17.428 1.00 23.14 C ATOM 1429 CZ TYR A 94 14.695 9.395 16.261 1.00 22.34 C ATOM 1430 OH TYR A 94 14.677 10.311 15.235 1.00 72.22 O ATOM 0 H TYR A 94 13.086 7.869 20.691 1.00 50.42 H new ATOM 0 HA TYR A 94 12.837 5.747 18.900 1.00 12.43 H new ATOM 0 HB2 TYR A 94 15.188 7.003 20.350 1.00 52.11 H new ATOM 0 HB3 TYR A 94 15.408 5.708 19.190 1.00 52.11 H new ATOM 0 HD1 TYR A 94 13.546 6.331 17.037 1.00 51.35 H new ATOM 0 HD2 TYR A 94 15.919 8.994 19.367 1.00 34.01 H new ATOM 0 HE1 TYR A 94 13.511 7.964 15.203 1.00 65.30 H new ATOM 0 HE2 TYR A 94 15.882 10.631 17.538 1.00 23.14 H new ATOM 0 HH TYR A 94 15.185 11.107 15.498 1.00 72.22 H new ATOM 1440 N GLN A 95 13.841 4.861 21.917 1.00 55.14 N ATOM 1441 CA GLN A 95 14.010 3.718 22.807 1.00 52.55 C ATOM 1442 C GLN A 95 12.676 3.024 23.060 1.00 31.05 C ATOM 1443 O GLN A 95 12.635 1.833 23.366 1.00 32.34 O ATOM 1444 CB GLN A 95 14.626 4.165 24.133 1.00 3.42 C ATOM 1445 CG GLN A 95 16.100 4.522 24.030 1.00 64.15 C ATOM 1446 CD GLN A 95 16.843 4.318 25.335 1.00 23.01 C ATOM 1447 OE1 GLN A 95 17.174 3.191 25.705 1.00 34.04 O ATOM 1448 NE2 GLN A 95 17.111 5.410 26.041 1.00 11.32 N ATOM 0 H GLN A 95 13.991 5.767 22.361 1.00 55.14 H new ATOM 0 HA GLN A 95 14.682 3.008 22.324 1.00 52.55 H new ATOM 0 HB2 GLN A 95 14.077 5.029 24.506 1.00 3.42 H new ATOM 0 HB3 GLN A 95 14.504 3.369 24.867 1.00 3.42 H new ATOM 0 HG2 GLN A 95 16.564 3.914 23.254 1.00 64.15 H new ATOM 0 HG3 GLN A 95 16.197 5.563 23.720 1.00 64.15 H new ATOM 0 HE21 GLN A 95 16.818 6.324 25.697 1.00 11.32 H new ATOM 0 HE22 GLN A 95 17.610 5.334 26.928 1.00 11.32 H new ATOM 1457 N GLN A 96 11.588 3.777 22.932 1.00 43.12 N ATOM 1458 CA GLN A 96 10.253 3.233 23.149 1.00 50.03 C ATOM 1459 C GLN A 96 9.740 2.533 21.895 1.00 62.33 C ATOM 1460 O GLN A 96 8.815 1.724 21.957 1.00 1.24 O ATOM 1461 CB GLN A 96 9.286 4.346 23.557 1.00 22.23 C ATOM 1462 CG GLN A 96 8.753 4.199 24.973 1.00 30.23 C ATOM 1463 CD GLN A 96 7.938 5.397 25.417 1.00 12.42 C ATOM 1464 OE1 GLN A 96 6.815 5.254 25.901 1.00 12.14 O ATOM 1465 NE2 GLN A 96 8.500 6.589 25.254 1.00 2.35 N ATOM 0 H GLN A 96 11.605 4.765 22.679 1.00 43.12 H new ATOM 0 HA GLN A 96 10.313 2.500 23.954 1.00 50.03 H new ATOM 0 HB2 GLN A 96 9.792 5.307 23.466 1.00 22.23 H new ATOM 0 HB3 GLN A 96 8.447 4.360 22.861 1.00 22.23 H new ATOM 0 HG2 GLN A 96 8.136 3.302 25.034 1.00 30.23 H new ATOM 0 HG3 GLN A 96 9.588 4.058 25.659 1.00 30.23 H new ATOM 0 HE21 GLN A 96 9.433 6.662 24.849 1.00 2.35 H new ATOM 0 HE22 GLN A 96 7.999 7.432 25.534 1.00 2.35 H new ATOM 1474 N GLY A 97 10.348 2.850 20.755 1.00 31.42 N ATOM 1475 CA GLY A 97 9.939 2.242 19.502 1.00 14.23 C ATOM 1476 C GLY A 97 9.404 3.258 18.513 1.00 45.45 C ATOM 1477 O GLY A 97 8.434 2.994 17.803 1.00 22.45 O ATOM 0 H GLY A 97 11.116 3.517 20.677 1.00 31.42 H new ATOM 0 HA2 GLY A 97 10.788 1.721 19.060 1.00 14.23 H new ATOM 0 HA3 GLY A 97 9.173 1.492 19.698 1.00 14.23 H new ATOM 1481 N ALA A 98 10.038 4.426 18.465 1.00 22.42 N ATOM 1482 CA ALA A 98 9.621 5.485 17.555 1.00 61.11 C ATOM 1483 C ALA A 98 10.168 5.250 16.151 1.00 23.42 C ATOM 1484 O ALA A 98 11.106 4.474 15.961 1.00 14.13 O ATOM 1485 CB ALA A 98 10.073 6.840 18.079 1.00 22.24 C ATOM 0 H ALA A 98 10.842 4.662 19.046 1.00 22.42 H new ATOM 0 HA ALA A 98 8.532 5.474 17.499 1.00 61.11 H new ATOM 0 HB1 ALA A 98 9.755 7.622 17.389 1.00 22.24 H new ATOM 0 HB2 ALA A 98 9.629 7.018 19.059 1.00 22.24 H new ATOM 0 HB3 ALA A 98 11.160 6.853 18.165 1.00 22.24 H new ATOM 1491 N PHE A 99 9.577 5.923 15.170 1.00 72.10 N ATOM 1492 CA PHE A 99 10.004 5.785 13.783 1.00 43.44 C ATOM 1493 C PHE A 99 11.066 6.824 13.435 1.00 5.42 C ATOM 1494 O PHE A 99 12.189 6.480 13.064 1.00 12.31 O ATOM 1495 CB PHE A 99 8.807 5.930 12.841 1.00 32.51 C ATOM 1496 CG PHE A 99 9.082 5.451 11.444 1.00 15.01 C ATOM 1497 CD1 PHE A 99 9.601 6.313 10.492 1.00 24.01 C ATOM 1498 CD2 PHE A 99 8.819 4.139 11.083 1.00 44.31 C ATOM 1499 CE1 PHE A 99 9.856 5.876 9.206 1.00 72.23 C ATOM 1500 CE2 PHE A 99 9.072 3.696 9.798 1.00 1.34 C ATOM 1501 CZ PHE A 99 9.590 4.566 8.858 1.00 32.13 C ATOM 0 H PHE A 99 8.801 6.570 15.310 1.00 72.10 H new ATOM 0 HA PHE A 99 10.437 4.792 13.660 1.00 43.44 H new ATOM 0 HB2 PHE A 99 7.964 5.372 13.249 1.00 32.51 H new ATOM 0 HB3 PHE A 99 8.508 6.978 12.805 1.00 32.51 H new ATOM 0 HD1 PHE A 99 9.809 7.339 10.758 1.00 24.01 H new ATOM 0 HD2 PHE A 99 8.412 3.455 11.813 1.00 44.31 H new ATOM 0 HE1 PHE A 99 10.263 6.558 8.474 1.00 72.23 H new ATOM 0 HE2 PHE A 99 8.865 2.671 9.529 1.00 1.34 H new ATOM 0 HZ PHE A 99 9.787 4.223 7.853 1.00 32.13 H new ATOM 1511 N ASP A 100 10.704 8.096 13.558 1.00 55.40 N ATOM 1512 CA ASP A 100 11.624 9.187 13.258 1.00 63.42 C ATOM 1513 C ASP A 100 11.076 10.516 13.767 1.00 45.32 C ATOM 1514 O ASP A 100 9.961 10.583 14.283 1.00 75.32 O ATOM 1515 CB ASP A 100 11.878 9.268 11.752 1.00 41.32 C ATOM 1516 CG ASP A 100 13.339 9.506 11.423 1.00 52.21 C ATOM 1517 OD1 ASP A 100 14.201 8.845 12.039 1.00 43.31 O ATOM 1518 OD2 ASP A 100 13.620 10.352 10.549 1.00 55.51 O ATOM 0 H ASP A 100 9.779 8.397 13.864 1.00 55.40 H new ATOM 0 HA ASP A 100 12.566 8.985 13.767 1.00 63.42 H new ATOM 0 HB2 ASP A 100 11.549 8.342 11.281 1.00 41.32 H new ATOM 0 HB3 ASP A 100 11.277 10.073 11.328 1.00 41.32 H new ATOM 1523 N TYR A 101 11.869 11.572 13.619 1.00 52.11 N ATOM 1524 CA TYR A 101 11.465 12.900 14.067 1.00 72.43 C ATOM 1525 C TYR A 101 11.291 13.845 12.882 1.00 74.42 C ATOM 1526 O TYR A 101 12.267 14.271 12.263 1.00 10.15 O ATOM 1527 CB TYR A 101 12.498 13.469 15.040 1.00 65.02 C ATOM 1528 CG TYR A 101 12.039 14.725 15.745 1.00 34.23 C ATOM 1529 CD1 TYR A 101 10.851 14.745 16.466 1.00 20.55 C ATOM 1530 CD2 TYR A 101 12.791 15.892 15.690 1.00 73.41 C ATOM 1531 CE1 TYR A 101 10.426 15.890 17.112 1.00 24.31 C ATOM 1532 CE2 TYR A 101 12.375 17.041 16.334 1.00 74.14 C ATOM 1533 CZ TYR A 101 11.192 17.035 17.043 1.00 12.01 C ATOM 1534 OH TYR A 101 10.773 18.178 17.684 1.00 2.35 O ATOM 0 H TYR A 101 12.795 11.534 13.193 1.00 52.11 H new ATOM 0 HA TYR A 101 10.507 12.807 14.578 1.00 72.43 H new ATOM 0 HB2 TYR A 101 12.738 12.711 15.786 1.00 65.02 H new ATOM 0 HB3 TYR A 101 13.418 13.683 14.496 1.00 65.02 H new ATOM 0 HD1 TYR A 101 10.249 13.850 16.522 1.00 20.55 H new ATOM 0 HD2 TYR A 101 13.717 15.901 15.134 1.00 73.41 H new ATOM 0 HE1 TYR A 101 9.500 15.888 17.668 1.00 24.31 H new ATOM 0 HE2 TYR A 101 12.973 17.939 16.283 1.00 74.14 H new ATOM 0 HH TYR A 101 10.617 18.885 17.024 1.00 2.35 H new ATOM 1544 N LEU A 102 10.040 14.169 12.571 1.00 64.41 N ATOM 1545 CA LEU A 102 9.736 15.064 11.460 1.00 13.35 C ATOM 1546 C LEU A 102 9.152 16.380 11.966 1.00 31.42 C ATOM 1547 O LEU A 102 7.947 16.620 11.895 1.00 15.15 O ATOM 1548 CB LEU A 102 8.756 14.396 10.495 1.00 54.03 C ATOM 1549 CG LEU A 102 8.595 15.067 9.130 1.00 10.12 C ATOM 1550 CD1 LEU A 102 9.848 14.875 8.290 1.00 71.31 C ATOM 1551 CD2 LEU A 102 7.375 14.517 8.406 1.00 40.24 C ATOM 0 H LEU A 102 9.221 13.825 13.072 1.00 64.41 H new ATOM 0 HA LEU A 102 10.666 15.279 10.933 1.00 13.35 H new ATOM 0 HB2 LEU A 102 9.078 13.367 10.336 1.00 54.03 H new ATOM 0 HB3 LEU A 102 7.778 14.353 10.974 1.00 54.03 H new ATOM 0 HG LEU A 102 8.448 16.136 9.287 1.00 10.12 H new ATOM 0 HD11 LEU A 102 9.715 15.359 7.322 1.00 71.31 H new ATOM 0 HD12 LEU A 102 10.701 15.318 8.803 1.00 71.31 H new ATOM 0 HD13 LEU A 102 10.027 13.810 8.141 1.00 71.31 H new ATOM 0 HD21 LEU A 102 7.276 15.006 7.437 1.00 40.24 H new ATOM 0 HD22 LEU A 102 7.492 13.443 8.261 1.00 40.24 H new ATOM 0 HD23 LEU A 102 6.482 14.708 9.001 1.00 40.24 H new ATOM 1563 N PRO A 103 10.026 17.254 12.487 1.00 32.43 N ATOM 1564 CA PRO A 103 9.620 18.561 13.012 1.00 23.24 C ATOM 1565 C PRO A 103 9.173 19.515 11.910 1.00 4.01 C ATOM 1566 O PRO A 103 9.559 19.365 10.750 1.00 32.15 O ATOM 1567 CB PRO A 103 10.891 19.082 13.688 1.00 65.44 C ATOM 1568 CG PRO A 103 12.006 18.389 12.982 1.00 20.15 C ATOM 1569 CD PRO A 103 11.477 17.033 12.603 1.00 1.34 C ATOM 0 HA PRO A 103 8.765 18.483 13.684 1.00 23.24 H new ATOM 0 HB2 PRO A 103 10.975 20.165 13.593 1.00 65.44 H new ATOM 0 HB3 PRO A 103 10.895 18.854 14.754 1.00 65.44 H new ATOM 0 HG2 PRO A 103 12.316 18.948 12.099 1.00 20.15 H new ATOM 0 HG3 PRO A 103 12.881 18.301 13.626 1.00 20.15 H new ATOM 0 HD2 PRO A 103 11.906 16.682 11.665 1.00 1.34 H new ATOM 0 HD3 PRO A 103 11.710 16.284 13.360 1.00 1.34 H new ATOM 1577 N LYS A 104 8.358 20.497 12.279 1.00 4.40 N ATOM 1578 CA LYS A 104 7.860 21.478 11.322 1.00 14.34 C ATOM 1579 C LYS A 104 8.404 22.868 11.635 1.00 42.54 C ATOM 1580 O LYS A 104 8.816 23.162 12.757 1.00 11.51 O ATOM 1581 CB LYS A 104 6.330 21.503 11.337 1.00 15.21 C ATOM 1582 CG LYS A 104 5.732 21.360 12.726 1.00 2.33 C ATOM 1583 CD LYS A 104 4.297 21.857 12.770 1.00 72.11 C ATOM 1584 CE LYS A 104 3.662 21.608 14.130 1.00 41.35 C ATOM 1585 NZ LYS A 104 3.200 22.873 14.766 1.00 44.12 N ATOM 0 H LYS A 104 8.028 20.635 13.234 1.00 4.40 H new ATOM 0 HA LYS A 104 8.204 21.187 10.329 1.00 14.34 H new ATOM 0 HB2 LYS A 104 5.986 22.439 10.897 1.00 15.21 H new ATOM 0 HB3 LYS A 104 5.956 20.698 10.705 1.00 15.21 H new ATOM 0 HG2 LYS A 104 5.765 20.314 13.031 1.00 2.33 H new ATOM 0 HG3 LYS A 104 6.334 21.920 13.442 1.00 2.33 H new ATOM 0 HD2 LYS A 104 4.273 22.923 12.546 1.00 72.11 H new ATOM 0 HD3 LYS A 104 3.713 21.356 11.998 1.00 72.11 H new ATOM 0 HE2 LYS A 104 2.817 20.928 14.018 1.00 41.35 H new ATOM 0 HE3 LYS A 104 4.383 21.115 14.783 1.00 41.35 H new ATOM 0 HZ1 LYS A 104 2.655 22.651 15.623 1.00 44.12 H new ATOM 0 HZ2 LYS A 104 4.024 23.455 15.020 1.00 44.12 H new ATOM 0 HZ3 LYS A 104 2.599 23.397 14.099 1.00 44.12 H new ATOM 1599 N PRO A 105 8.406 23.746 10.620 1.00 22.11 N ATOM 1600 CA PRO A 105 7.919 23.407 9.280 1.00 41.14 C ATOM 1601 C PRO A 105 8.837 22.424 8.561 1.00 51.34 C ATOM 1602 O PRO A 105 10.034 22.360 8.839 1.00 24.04 O ATOM 1603 CB PRO A 105 7.907 24.756 8.555 1.00 21.53 C ATOM 1604 CG PRO A 105 8.927 25.576 9.266 1.00 11.52 C ATOM 1605 CD PRO A 105 8.885 25.136 10.703 1.00 14.03 C ATOM 0 HA PRO A 105 6.946 22.916 9.312 1.00 41.14 H new ATOM 0 HB2 PRO A 105 8.156 24.641 7.500 1.00 21.53 H new ATOM 0 HB3 PRO A 105 6.922 25.222 8.601 1.00 21.53 H new ATOM 0 HG2 PRO A 105 9.918 25.421 8.840 1.00 11.52 H new ATOM 0 HG3 PRO A 105 8.704 26.639 9.177 1.00 11.52 H new ATOM 0 HD2 PRO A 105 9.868 25.195 11.170 1.00 14.03 H new ATOM 0 HD3 PRO A 105 8.213 25.758 11.294 1.00 14.03 H new ATOM 1613 N PHE A 106 8.268 21.660 7.634 1.00 43.53 N ATOM 1614 CA PHE A 106 9.036 20.680 6.875 1.00 51.14 C ATOM 1615 C PHE A 106 8.616 20.678 5.408 1.00 42.55 C ATOM 1616 O PHE A 106 7.730 21.432 5.003 1.00 25.13 O ATOM 1617 CB PHE A 106 8.851 19.283 7.471 1.00 11.32 C ATOM 1618 CG PHE A 106 7.444 18.769 7.368 1.00 74.11 C ATOM 1619 CD1 PHE A 106 6.980 18.212 6.186 1.00 4.45 C ATOM 1620 CD2 PHE A 106 6.584 18.841 8.452 1.00 1.21 C ATOM 1621 CE1 PHE A 106 5.686 17.739 6.089 1.00 54.04 C ATOM 1622 CE2 PHE A 106 5.288 18.369 8.360 1.00 2.13 C ATOM 1623 CZ PHE A 106 4.839 17.816 7.177 1.00 11.32 C ATOM 0 H PHE A 106 7.278 21.701 7.391 1.00 43.53 H new ATOM 0 HA PHE A 106 10.089 20.956 6.934 1.00 51.14 H new ATOM 0 HB2 PHE A 106 9.521 18.589 6.964 1.00 11.32 H new ATOM 0 HB3 PHE A 106 9.146 19.302 8.520 1.00 11.32 H new ATOM 0 HD1 PHE A 106 7.638 18.147 5.332 1.00 4.45 H new ATOM 0 HD2 PHE A 106 6.930 19.271 9.380 1.00 1.21 H new ATOM 0 HE1 PHE A 106 5.336 17.309 5.162 1.00 54.04 H new ATOM 0 HE2 PHE A 106 4.628 18.433 9.212 1.00 2.13 H new ATOM 0 HZ PHE A 106 3.828 17.445 7.103 1.00 11.32 H new ATOM 1633 N ASP A 107 9.259 19.827 4.616 1.00 41.43 N ATOM 1634 CA ASP A 107 8.953 19.726 3.193 1.00 3.34 C ATOM 1635 C ASP A 107 8.117 18.484 2.904 1.00 22.53 C ATOM 1636 O ASP A 107 8.628 17.363 2.919 1.00 14.04 O ATOM 1637 CB ASP A 107 10.244 19.690 2.374 1.00 61.23 C ATOM 1638 CG ASP A 107 10.763 21.077 2.048 1.00 33.33 C ATOM 1639 OD1 ASP A 107 9.954 21.928 1.621 1.00 64.41 O ATOM 1640 OD2 ASP A 107 11.977 21.311 2.222 1.00 53.52 O ATOM 0 H ASP A 107 9.995 19.197 4.935 1.00 41.43 H new ATOM 0 HA ASP A 107 8.375 20.605 2.907 1.00 3.34 H new ATOM 0 HB2 ASP A 107 11.006 19.141 2.927 1.00 61.23 H new ATOM 0 HB3 ASP A 107 10.067 19.144 1.447 1.00 61.23 H new ATOM 1645 N ILE A 108 6.831 18.690 2.643 1.00 71.24 N ATOM 1646 CA ILE A 108 5.925 17.586 2.350 1.00 12.13 C ATOM 1647 C ILE A 108 6.510 16.661 1.289 1.00 60.31 C ATOM 1648 O ILE A 108 6.194 15.472 1.245 1.00 24.42 O ATOM 1649 CB ILE A 108 4.553 18.096 1.871 1.00 71.02 C ATOM 1650 CG1 ILE A 108 4.674 18.717 0.478 1.00 73.13 C ATOM 1651 CG2 ILE A 108 3.988 19.105 2.859 1.00 11.13 C ATOM 1652 CD1 ILE A 108 5.465 20.006 0.457 1.00 30.11 C ATOM 0 H ILE A 108 6.393 19.611 2.628 1.00 71.24 H new ATOM 0 HA ILE A 108 5.793 17.031 3.279 1.00 12.13 H new ATOM 0 HB ILE A 108 3.867 17.251 1.814 1.00 71.02 H new ATOM 0 HG12 ILE A 108 5.148 17.999 -0.191 1.00 73.13 H new ATOM 0 HG13 ILE A 108 3.675 18.907 0.086 1.00 73.13 H new ATOM 0 HG21 ILE A 108 3.018 19.456 2.506 1.00 11.13 H new ATOM 0 HG22 ILE A 108 3.870 18.633 3.834 1.00 11.13 H new ATOM 0 HG23 ILE A 108 4.670 19.951 2.946 1.00 11.13 H new ATOM 0 HD11 ILE A 108 5.510 20.389 -0.563 1.00 30.11 H new ATOM 0 HD12 ILE A 108 4.980 20.741 1.100 1.00 30.11 H new ATOM 0 HD13 ILE A 108 6.476 19.818 0.819 1.00 30.11 H new ATOM 1664 N ASP A 109 7.365 17.214 0.436 1.00 23.02 N ATOM 1665 CA ASP A 109 7.998 16.438 -0.624 1.00 31.20 C ATOM 1666 C ASP A 109 8.671 15.192 -0.057 1.00 61.35 C ATOM 1667 O ASP A 109 8.638 14.125 -0.669 1.00 74.33 O ATOM 1668 CB ASP A 109 9.024 17.293 -1.369 1.00 1.24 C ATOM 1669 CG ASP A 109 8.420 18.022 -2.553 1.00 63.42 C ATOM 1670 OD1 ASP A 109 7.708 17.373 -3.348 1.00 52.45 O ATOM 1671 OD2 ASP A 109 8.659 19.240 -2.685 1.00 24.03 O ATOM 0 H ASP A 109 7.636 18.197 0.458 1.00 23.02 H new ATOM 0 HA ASP A 109 7.223 16.124 -1.323 1.00 31.20 H new ATOM 0 HB2 ASP A 109 9.456 18.019 -0.681 1.00 1.24 H new ATOM 0 HB3 ASP A 109 9.840 16.658 -1.715 1.00 1.24 H new ATOM 1676 N GLU A 110 9.282 15.336 1.114 1.00 4.22 N ATOM 1677 CA GLU A 110 9.965 14.222 1.761 1.00 1.14 C ATOM 1678 C GLU A 110 8.996 13.414 2.620 1.00 54.54 C ATOM 1679 O GLU A 110 9.198 12.223 2.850 1.00 65.34 O ATOM 1680 CB GLU A 110 11.121 14.735 2.623 1.00 31.52 C ATOM 1681 CG GLU A 110 12.116 13.654 3.012 1.00 34.14 C ATOM 1682 CD GLU A 110 13.186 14.160 3.959 1.00 2.15 C ATOM 1683 OE1 GLU A 110 12.835 14.868 4.927 1.00 21.50 O ATOM 1684 OE2 GLU A 110 14.374 13.849 3.733 1.00 3.54 O ATOM 0 H GLU A 110 9.318 16.213 1.634 1.00 4.22 H new ATOM 0 HA GLU A 110 10.362 13.571 0.982 1.00 1.14 H new ATOM 0 HB2 GLU A 110 11.646 15.522 2.081 1.00 31.52 H new ATOM 0 HB3 GLU A 110 10.716 15.187 3.528 1.00 31.52 H new ATOM 0 HG2 GLU A 110 11.583 12.827 3.481 1.00 34.14 H new ATOM 0 HG3 GLU A 110 12.589 13.260 2.112 1.00 34.14 H new ATOM 1691 N ALA A 111 7.942 14.073 3.091 1.00 53.14 N ATOM 1692 CA ALA A 111 6.940 13.417 3.922 1.00 50.32 C ATOM 1693 C ALA A 111 6.103 12.439 3.104 1.00 24.13 C ATOM 1694 O ALA A 111 5.805 11.333 3.556 1.00 0.22 O ATOM 1695 CB ALA A 111 6.045 14.453 4.586 1.00 40.10 C ATOM 0 H ALA A 111 7.760 15.060 2.911 1.00 53.14 H new ATOM 0 HA ALA A 111 7.459 12.852 4.696 1.00 50.32 H new ATOM 0 HB1 ALA A 111 5.301 13.949 5.204 1.00 40.10 H new ATOM 0 HB2 ALA A 111 6.650 15.110 5.210 1.00 40.10 H new ATOM 0 HB3 ALA A 111 5.541 15.043 3.820 1.00 40.10 H new ATOM 1701 N VAL A 112 5.727 12.853 1.899 1.00 71.04 N ATOM 1702 CA VAL A 112 4.925 12.013 1.018 1.00 74.43 C ATOM 1703 C VAL A 112 5.531 10.620 0.884 1.00 12.15 C ATOM 1704 O VAL A 112 4.813 9.621 0.842 1.00 4.21 O ATOM 1705 CB VAL A 112 4.789 12.638 -0.384 1.00 34.55 C ATOM 1706 CG1 VAL A 112 4.126 11.660 -1.342 1.00 62.03 C ATOM 1707 CG2 VAL A 112 4.006 13.940 -0.312 1.00 30.02 C ATOM 0 H VAL A 112 5.965 13.765 1.510 1.00 71.04 H new ATOM 0 HA VAL A 112 3.936 11.934 1.470 1.00 74.43 H new ATOM 0 HB VAL A 112 5.787 12.861 -0.763 1.00 34.55 H new ATOM 0 HG11 VAL A 112 4.038 12.118 -2.327 1.00 62.03 H new ATOM 0 HG12 VAL A 112 4.730 10.756 -1.415 1.00 62.03 H new ATOM 0 HG13 VAL A 112 3.133 11.404 -0.971 1.00 62.03 H new ATOM 0 HG21 VAL A 112 3.919 14.368 -1.311 1.00 30.02 H new ATOM 0 HG22 VAL A 112 3.011 13.744 0.087 1.00 30.02 H new ATOM 0 HG23 VAL A 112 4.526 14.642 0.340 1.00 30.02 H new ATOM 1717 N ALA A 113 6.857 10.562 0.819 1.00 31.23 N ATOM 1718 CA ALA A 113 7.560 9.291 0.694 1.00 45.44 C ATOM 1719 C ALA A 113 7.768 8.642 2.057 1.00 21.53 C ATOM 1720 O ALA A 113 7.842 7.417 2.168 1.00 35.13 O ATOM 1721 CB ALA A 113 8.897 9.495 -0.005 1.00 54.01 C ATOM 0 H ALA A 113 7.466 11.380 0.851 1.00 31.23 H new ATOM 0 HA ALA A 113 6.945 8.621 0.092 1.00 45.44 H new ATOM 0 HB1 ALA A 113 9.412 8.538 -0.092 1.00 54.01 H new ATOM 0 HB2 ALA A 113 8.728 9.908 -1.000 1.00 54.01 H new ATOM 0 HB3 ALA A 113 9.509 10.185 0.575 1.00 54.01 H new ATOM 1727 N LEU A 114 7.863 9.468 3.093 1.00 52.00 N ATOM 1728 CA LEU A 114 8.063 8.973 4.451 1.00 51.42 C ATOM 1729 C LEU A 114 6.786 8.339 4.993 1.00 61.12 C ATOM 1730 O LEU A 114 6.830 7.505 5.897 1.00 23.13 O ATOM 1731 CB LEU A 114 8.509 10.113 5.369 1.00 65.51 C ATOM 1732 CG LEU A 114 8.412 9.842 6.871 1.00 60.44 C ATOM 1733 CD1 LEU A 114 9.531 8.915 7.320 1.00 71.55 C ATOM 1734 CD2 LEU A 114 8.453 11.147 7.652 1.00 72.12 C ATOM 0 H LEU A 114 7.805 10.484 3.019 1.00 52.00 H new ATOM 0 HA LEU A 114 8.842 8.211 4.423 1.00 51.42 H new ATOM 0 HB2 LEU A 114 9.543 10.361 5.131 1.00 65.51 H new ATOM 0 HB3 LEU A 114 7.909 10.994 5.139 1.00 65.51 H new ATOM 0 HG LEU A 114 7.459 9.351 7.071 1.00 60.44 H new ATOM 0 HD11 LEU A 114 9.445 8.734 8.391 1.00 71.55 H new ATOM 0 HD12 LEU A 114 9.456 7.968 6.785 1.00 71.55 H new ATOM 0 HD13 LEU A 114 10.495 9.378 7.106 1.00 71.55 H new ATOM 0 HD21 LEU A 114 8.383 10.935 8.719 1.00 72.12 H new ATOM 0 HD22 LEU A 114 9.390 11.665 7.446 1.00 72.12 H new ATOM 0 HD23 LEU A 114 7.616 11.777 7.352 1.00 72.12 H new ATOM 1746 N VAL A 115 5.649 8.738 4.432 1.00 12.24 N ATOM 1747 CA VAL A 115 4.359 8.206 4.857 1.00 43.41 C ATOM 1748 C VAL A 115 4.279 6.703 4.616 1.00 54.21 C ATOM 1749 O VAL A 115 3.814 5.952 5.473 1.00 65.13 O ATOM 1750 CB VAL A 115 3.197 8.897 4.119 1.00 70.21 C ATOM 1751 CG1 VAL A 115 1.872 8.244 4.481 1.00 54.11 C ATOM 1752 CG2 VAL A 115 3.173 10.384 4.437 1.00 12.12 C ATOM 0 H VAL A 115 5.595 9.428 3.682 1.00 12.24 H new ATOM 0 HA VAL A 115 4.270 8.405 5.925 1.00 43.41 H new ATOM 0 HB VAL A 115 3.351 8.781 3.046 1.00 70.21 H new ATOM 0 HG11 VAL A 115 1.062 8.745 3.950 1.00 54.11 H new ATOM 0 HG12 VAL A 115 1.895 7.192 4.197 1.00 54.11 H new ATOM 0 HG13 VAL A 115 1.707 8.326 5.555 1.00 54.11 H new ATOM 0 HG21 VAL A 115 2.346 10.856 3.907 1.00 12.12 H new ATOM 0 HG22 VAL A 115 3.044 10.525 5.510 1.00 12.12 H new ATOM 0 HG23 VAL A 115 4.112 10.839 4.122 1.00 12.12 H new ATOM 1762 N GLU A 116 4.734 6.272 3.444 1.00 61.02 N ATOM 1763 CA GLU A 116 4.713 4.857 3.090 1.00 12.44 C ATOM 1764 C GLU A 116 5.931 4.136 3.660 1.00 34.22 C ATOM 1765 O GLU A 116 5.929 2.913 3.806 1.00 42.34 O ATOM 1766 CB GLU A 116 4.672 4.689 1.570 1.00 11.41 C ATOM 1767 CG GLU A 116 3.700 5.631 0.880 1.00 51.35 C ATOM 1768 CD GLU A 116 2.892 4.944 -0.204 1.00 13.11 C ATOM 1769 OE1 GLU A 116 3.384 3.945 -0.768 1.00 72.05 O ATOM 1770 OE2 GLU A 116 1.766 5.406 -0.487 1.00 3.02 O ATOM 0 H GLU A 116 5.121 6.882 2.724 1.00 61.02 H new ATOM 0 HA GLU A 116 3.815 4.414 3.521 1.00 12.44 H new ATOM 0 HB2 GLU A 116 5.672 4.853 1.168 1.00 11.41 H new ATOM 0 HB3 GLU A 116 4.398 3.661 1.334 1.00 11.41 H new ATOM 0 HG2 GLU A 116 3.021 6.054 1.621 1.00 51.35 H new ATOM 0 HG3 GLU A 116 4.253 6.462 0.444 1.00 51.35 H new ATOM 1777 N ARG A 117 6.969 4.902 3.980 1.00 34.55 N ATOM 1778 CA ARG A 117 8.194 4.336 4.533 1.00 73.05 C ATOM 1779 C ARG A 117 7.882 3.375 5.676 1.00 72.11 C ATOM 1780 O ARG A 117 8.476 2.302 5.777 1.00 34.23 O ATOM 1781 CB ARG A 117 9.118 5.451 5.027 1.00 73.43 C ATOM 1782 CG ARG A 117 10.359 5.637 4.170 1.00 42.11 C ATOM 1783 CD ARG A 117 11.623 5.643 5.015 1.00 65.31 C ATOM 1784 NE ARG A 117 11.951 4.312 5.519 1.00 32.30 N ATOM 1785 CZ ARG A 117 13.041 4.042 6.229 1.00 15.34 C ATOM 1786 NH1 ARG A 117 13.903 5.007 6.518 1.00 11.11 N ATOM 1787 NH2 ARG A 117 13.269 2.806 6.653 1.00 60.21 N ATOM 0 H ARG A 117 6.986 5.915 3.866 1.00 34.55 H new ATOM 0 HA ARG A 117 8.697 3.780 3.742 1.00 73.05 H new ATOM 0 HB2 ARG A 117 8.561 6.388 5.054 1.00 73.43 H new ATOM 0 HB3 ARG A 117 9.423 5.232 6.050 1.00 73.43 H new ATOM 0 HG2 ARG A 117 10.417 4.836 3.433 1.00 42.11 H new ATOM 0 HG3 ARG A 117 10.284 6.574 3.618 1.00 42.11 H new ATOM 0 HD2 ARG A 117 12.455 6.020 4.420 1.00 65.31 H new ATOM 0 HD3 ARG A 117 11.495 6.327 5.854 1.00 65.31 H new ATOM 0 HE ARG A 117 11.308 3.547 5.315 1.00 32.30 H new ATOM 0 HH11 ARG A 117 13.730 5.959 6.195 1.00 11.11 H new ATOM 0 HH12 ARG A 117 14.739 4.797 7.063 1.00 11.11 H new ATOM 0 HH21 ARG A 117 12.607 2.061 6.434 1.00 60.21 H new ATOM 0 HH22 ARG A 117 14.106 2.600 7.198 1.00 60.21 H new ATOM 1801 N ALA A 118 6.947 3.768 6.534 1.00 12.45 N ATOM 1802 CA ALA A 118 6.555 2.942 7.669 1.00 21.23 C ATOM 1803 C ALA A 118 5.504 1.914 7.263 1.00 2.22 C ATOM 1804 O ALA A 118 5.561 0.757 7.679 1.00 65.41 O ATOM 1805 CB ALA A 118 6.034 3.813 8.802 1.00 13.42 C ATOM 0 H ALA A 118 6.446 4.654 6.465 1.00 12.45 H new ATOM 0 HA ALA A 118 7.437 2.404 8.016 1.00 21.23 H new ATOM 0 HB1 ALA A 118 5.745 3.182 9.643 1.00 13.42 H new ATOM 0 HB2 ALA A 118 6.815 4.504 9.119 1.00 13.42 H new ATOM 0 HB3 ALA A 118 5.168 4.378 8.458 1.00 13.42 H new ATOM 1811 N ILE A 119 4.546 2.345 6.450 1.00 34.11 N ATOM 1812 CA ILE A 119 3.482 1.461 5.988 1.00 3.41 C ATOM 1813 C ILE A 119 4.053 0.182 5.387 1.00 63.41 C ATOM 1814 O ILE A 119 3.483 -0.898 5.543 1.00 70.00 O ATOM 1815 CB ILE A 119 2.590 2.154 4.941 1.00 63.32 C ATOM 1816 CG1 ILE A 119 1.976 3.428 5.524 1.00 5.12 C ATOM 1817 CG2 ILE A 119 1.501 1.205 4.463 1.00 51.41 C ATOM 1818 CD1 ILE A 119 1.342 4.324 4.484 1.00 43.43 C ATOM 0 H ILE A 119 4.484 3.300 6.097 1.00 34.11 H new ATOM 0 HA ILE A 119 2.878 1.211 6.860 1.00 3.41 H new ATOM 0 HB ILE A 119 3.206 2.430 4.085 1.00 63.32 H new ATOM 0 HG12 ILE A 119 1.223 3.154 6.263 1.00 5.12 H new ATOM 0 HG13 ILE A 119 2.750 3.987 6.050 1.00 5.12 H new ATOM 0 HG21 ILE A 119 0.878 1.709 3.723 1.00 51.41 H new ATOM 0 HG22 ILE A 119 1.958 0.324 4.013 1.00 51.41 H new ATOM 0 HG23 ILE A 119 0.885 0.902 5.310 1.00 51.41 H new ATOM 0 HD11 ILE A 119 0.927 5.208 4.969 1.00 43.43 H new ATOM 0 HD12 ILE A 119 2.096 4.629 3.758 1.00 43.43 H new ATOM 0 HD13 ILE A 119 0.545 3.782 3.974 1.00 43.43 H new ATOM 1830 N SER A 120 5.184 0.310 4.700 1.00 1.13 N ATOM 1831 CA SER A 120 5.832 -0.836 4.073 1.00 3.05 C ATOM 1832 C SER A 120 6.164 -1.906 5.109 1.00 1.12 C ATOM 1833 O SER A 120 6.033 -3.102 4.847 1.00 33.03 O ATOM 1834 CB SER A 120 7.107 -0.396 3.352 1.00 44.23 C ATOM 1835 OG SER A 120 6.820 0.560 2.346 1.00 71.23 O ATOM 0 H SER A 120 5.670 1.196 4.564 1.00 1.13 H new ATOM 0 HA SER A 120 5.140 -1.261 3.346 1.00 3.05 H new ATOM 0 HB2 SER A 120 7.808 0.028 4.072 1.00 44.23 H new ATOM 0 HB3 SER A 120 7.594 -1.263 2.906 1.00 44.23 H new ATOM 0 HG SER A 120 6.508 1.390 2.763 1.00 71.23 H new ATOM 1841 N HIS A 121 6.595 -1.467 6.287 1.00 3.44 N ATOM 1842 CA HIS A 121 6.946 -2.386 7.364 1.00 0.33 C ATOM 1843 C HIS A 121 5.784 -3.323 7.678 1.00 22.42 C ATOM 1844 O HIS A 121 5.987 -4.445 8.144 1.00 61.25 O ATOM 1845 CB HIS A 121 7.342 -1.607 8.619 1.00 34.13 C ATOM 1846 CG HIS A 121 7.925 -2.466 9.698 1.00 30.43 C ATOM 1847 ND1 HIS A 121 9.256 -2.427 10.055 1.00 44.42 N ATOM 1848 CD2 HIS A 121 7.349 -3.391 10.502 1.00 64.00 C ATOM 1849 CE1 HIS A 121 9.475 -3.291 11.030 1.00 51.12 C ATOM 1850 NE2 HIS A 121 8.334 -3.889 11.320 1.00 14.10 N ATOM 0 H HIS A 121 6.710 -0.481 6.520 1.00 3.44 H new ATOM 0 HA HIS A 121 7.795 -2.986 7.035 1.00 0.33 H new ATOM 0 HB2 HIS A 121 8.066 -0.839 8.347 1.00 34.13 H new ATOM 0 HB3 HIS A 121 6.464 -1.093 9.010 1.00 34.13 H new ATOM 0 HD2 HIS A 121 6.309 -3.683 10.500 1.00 64.00 H new ATOM 0 HE1 HIS A 121 10.425 -3.477 11.508 1.00 51.12 H new ATOM 0 HE2 HIS A 121 8.205 -4.605 12.035 1.00 14.10 H new ATOM 1858 N TYR A 122 4.567 -2.856 7.422 1.00 65.35 N ATOM 1859 CA TYR A 122 3.373 -3.652 7.680 1.00 42.22 C ATOM 1860 C TYR A 122 2.661 -4.004 6.377 1.00 11.23 C ATOM 1861 O TYR A 122 1.432 -4.030 6.318 1.00 61.35 O ATOM 1862 CB TYR A 122 2.421 -2.894 8.606 1.00 34.12 C ATOM 1863 CG TYR A 122 3.106 -2.271 9.801 1.00 21.23 C ATOM 1864 CD1 TYR A 122 3.705 -1.021 9.710 1.00 11.21 C ATOM 1865 CD2 TYR A 122 3.154 -2.933 11.022 1.00 1.12 C ATOM 1866 CE1 TYR A 122 4.333 -0.448 10.799 1.00 31.42 C ATOM 1867 CE2 TYR A 122 3.779 -2.368 12.117 1.00 14.51 C ATOM 1868 CZ TYR A 122 4.367 -1.125 12.000 1.00 30.45 C ATOM 1869 OH TYR A 122 4.990 -0.558 13.088 1.00 23.01 O ATOM 0 H TYR A 122 4.381 -1.930 7.036 1.00 65.35 H new ATOM 0 HA TYR A 122 3.682 -4.578 8.166 1.00 42.22 H new ATOM 0 HB2 TYR A 122 1.920 -2.111 8.036 1.00 34.12 H new ATOM 0 HB3 TYR A 122 1.648 -3.578 8.957 1.00 34.12 H new ATOM 0 HD1 TYR A 122 3.679 -0.488 8.771 1.00 11.21 H new ATOM 0 HD2 TYR A 122 2.695 -3.906 11.117 1.00 1.12 H new ATOM 0 HE1 TYR A 122 4.795 0.524 10.710 1.00 31.42 H new ATOM 0 HE2 TYR A 122 3.807 -2.896 13.059 1.00 14.51 H new ATOM 0 HH TYR A 122 4.398 -0.609 13.867 1.00 23.01 H new ATOM 1879 N GLN A 123 3.443 -4.274 5.337 1.00 1.12 N ATOM 1880 CA GLN A 123 2.888 -4.624 4.035 1.00 31.53 C ATOM 1881 C GLN A 123 1.880 -5.762 4.162 1.00 62.23 C ATOM 1882 O GLN A 123 2.157 -6.781 4.793 1.00 23.32 O ATOM 1883 CB GLN A 123 4.006 -5.023 3.071 1.00 45.11 C ATOM 1884 CG GLN A 123 4.245 -4.009 1.964 1.00 43.31 C ATOM 1885 CD GLN A 123 3.831 -4.525 0.600 1.00 25.10 C ATOM 1886 OE1 GLN A 123 4.667 -4.966 -0.190 1.00 4.44 O ATOM 1887 NE2 GLN A 123 2.535 -4.474 0.316 1.00 44.14 N ATOM 0 H GLN A 123 4.462 -4.257 5.371 1.00 1.12 H new ATOM 0 HA GLN A 123 2.373 -3.748 3.640 1.00 31.53 H new ATOM 0 HB2 GLN A 123 4.929 -5.158 3.634 1.00 45.11 H new ATOM 0 HB3 GLN A 123 3.762 -5.986 2.623 1.00 45.11 H new ATOM 0 HG2 GLN A 123 3.691 -3.097 2.186 1.00 43.31 H new ATOM 0 HG3 GLN A 123 5.302 -3.743 1.942 1.00 43.31 H new ATOM 0 HE21 GLN A 123 1.877 -4.101 1.000 1.00 44.14 H new ATOM 0 HE22 GLN A 123 2.197 -4.808 -0.587 1.00 44.14 H new ATOM 1896 N GLU A 124 0.710 -5.580 3.557 1.00 64.10 N ATOM 1897 CA GLU A 124 -0.339 -6.592 3.604 1.00 43.22 C ATOM 1898 C GLU A 124 -0.392 -7.381 2.299 1.00 24.40 C ATOM 1899 O GLU A 124 0.234 -7.005 1.309 1.00 42.13 O ATOM 1900 CB GLU A 124 -1.696 -5.939 3.873 1.00 50.11 C ATOM 1901 CG GLU A 124 -2.499 -6.631 4.961 1.00 75.31 C ATOM 1902 CD GLU A 124 -2.231 -6.058 6.339 1.00 40.02 C ATOM 1903 OE1 GLU A 124 -1.047 -5.979 6.727 1.00 4.12 O ATOM 1904 OE2 GLU A 124 -3.204 -5.689 7.028 1.00 12.15 O ATOM 0 H GLU A 124 0.465 -4.742 3.029 1.00 64.10 H new ATOM 0 HA GLU A 124 -0.108 -7.281 4.416 1.00 43.22 H new ATOM 0 HB2 GLU A 124 -1.539 -4.898 4.155 1.00 50.11 H new ATOM 0 HB3 GLU A 124 -2.277 -5.935 2.951 1.00 50.11 H new ATOM 0 HG2 GLU A 124 -3.562 -6.542 4.735 1.00 75.31 H new ATOM 0 HG3 GLU A 124 -2.261 -7.695 4.962 1.00 75.31 H new TER 1911 GLU A 124