USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 979 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+ 144:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 48 GLN : amide:sc= 1.07 K(o=2.3,f=-5.1) USER MOD Set 2.1: A 28 CYS SG : rot 8:sc= 1.36 USER MOD Set 2.2: A 90 THR OG1 : rot 134:sc= 0.731 USER MOD Set 3.1: A 14 MET CE :methyl -166:sc= -0.576 (180deg=-1.15) USER MOD Set 3.2: A 112 SER OG : rot 132:sc= 1.2 USER MOD Set 4.1: A 6 THR OG1 : rot 180:sc= 0.0263 USER MOD Set 4.2: A 123 ASN : amide:sc= -0.0515 K(o=-0.025,f=-0.8) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0586 K(o=-0.059,f=-5.2!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0487 X(o=-0.049,f=-0.17) USER MOD Single : A 21 THR OG1 : rot -79:sc= 1.21 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 150:sc= -0.287 (180deg=-1.06) USER MOD Single : A 29 MET CE :methyl -148:sc= -0.789 (180deg=-2.62!) USER MOD Single : A 35 MET CE :methyl 169:sc= 0 (180deg=-0.119) USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -3.98! C(o=-4!,f=-9.2!) USER MOD Single : A 41 LYS NZ :NH3+ -127:sc= 0.301 (180deg=-0.156) USER MOD Single : A 42 TYR OH : rot -140:sc= -0.0078 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 130:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 63 SER OG : rot -166:sc= 1.32 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 65:sc= 1.04 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.333 K(o=0.33,f=-6.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0.322 X(o=0.32,f=0) USER MOD Single : A 83 THR OG1 : rot 119:sc= 0.831 USER MOD Single : A 84 MET CE :methyl -157:sc= 0 (180deg=-1.15) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.631 K(o=-0.63,f=-2.3) USER MOD Single : A 94 ASN :FLIP amide:sc=-0.00442 F(o=-0.83,f=-0.0044) USER MOD Single : A 101 CYS SG : rot 164:sc= 0.417 USER MOD Single : A 102 MET CE :methyl 178:sc= 0 (180deg=-0.00161) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0.027 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 71:sc= 0.571 USER MOD Single : A 122 TYR OH : rot 130:sc= -0.161 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 7.611 -8.600 5.684 1.00 73.43 N ATOM 54 CA GLY A 5 8.673 -7.833 5.047 1.00 44.03 C ATOM 55 C GLY A 5 8.331 -7.618 3.572 1.00 42.21 C ATOM 56 O GLY A 5 7.150 -7.525 3.224 1.00 51.14 O ATOM 0 HA2 GLY A 5 8.793 -6.872 5.548 1.00 44.03 H new ATOM 0 HA3 GLY A 5 9.622 -8.361 5.138 1.00 44.03 H new ATOM 60 N THR A 6 9.338 -7.440 2.720 1.00 44.41 N ATOM 61 CA THR A 6 9.183 -7.469 1.270 1.00 4.24 C ATOM 62 C THR A 6 8.854 -8.908 0.844 1.00 30.43 C ATOM 63 O THR A 6 9.490 -9.828 1.370 1.00 73.25 O ATOM 64 CB THR A 6 10.503 -7.041 0.599 1.00 42.21 C ATOM 65 OG1 THR A 6 11.228 -6.077 1.345 1.00 62.33 O ATOM 66 CG2 THR A 6 10.248 -6.494 -0.804 1.00 13.00 C ATOM 0 H THR A 6 10.297 -7.269 3.023 1.00 44.41 H new ATOM 0 HA THR A 6 8.386 -6.789 0.970 1.00 4.24 H new ATOM 0 HB THR A 6 11.111 -7.944 0.548 1.00 42.21 H new ATOM 0 HG1 THR A 6 12.054 -5.848 0.869 1.00 62.33 H new ATOM 0 HG21 THR A 6 11.194 -6.199 -1.257 1.00 13.00 H new ATOM 0 HG22 THR A 6 9.778 -7.265 -1.415 1.00 13.00 H new ATOM 0 HG23 THR A 6 9.589 -5.628 -0.743 1.00 13.00 H new ATOM 74 N VAL A 7 7.944 -9.106 -0.117 1.00 50.04 N ATOM 75 CA VAL A 7 7.626 -10.392 -0.752 1.00 4.21 C ATOM 76 C VAL A 7 7.233 -10.202 -2.238 1.00 64.35 C ATOM 77 O VAL A 7 7.256 -9.079 -2.744 1.00 71.11 O ATOM 78 CB VAL A 7 6.522 -11.123 0.034 1.00 11.55 C ATOM 79 CG1 VAL A 7 6.911 -11.510 1.470 1.00 3.21 C ATOM 80 CG2 VAL A 7 5.203 -10.330 0.087 1.00 20.24 C ATOM 0 H VAL A 7 7.384 -8.340 -0.491 1.00 50.04 H new ATOM 0 HA VAL A 7 8.521 -11.013 -0.732 1.00 4.21 H new ATOM 0 HB VAL A 7 6.381 -12.041 -0.536 1.00 11.55 H new ATOM 0 HG11 VAL A 7 6.075 -12.020 1.949 1.00 3.21 H new ATOM 0 HG12 VAL A 7 7.775 -12.174 1.446 1.00 3.21 H new ATOM 0 HG13 VAL A 7 7.159 -10.611 2.035 1.00 3.21 H new ATOM 0 HG21 VAL A 7 4.462 -10.894 0.654 1.00 20.24 H new ATOM 0 HG22 VAL A 7 5.376 -9.369 0.571 1.00 20.24 H new ATOM 0 HG23 VAL A 7 4.837 -10.165 -0.926 1.00 20.24 H new ATOM 90 N SER A 8 6.841 -11.269 -2.949 1.00 62.12 N ATOM 91 CA SER A 8 6.401 -11.250 -4.348 1.00 64.00 C ATOM 92 C SER A 8 4.953 -11.748 -4.454 1.00 3.44 C ATOM 93 O SER A 8 4.706 -12.924 -4.729 1.00 32.42 O ATOM 94 CB SER A 8 7.375 -12.051 -5.234 1.00 52.44 C ATOM 95 OG SER A 8 7.954 -13.180 -4.582 1.00 24.02 O ATOM 0 H SER A 8 6.822 -12.206 -2.547 1.00 62.12 H new ATOM 0 HA SER A 8 6.415 -10.225 -4.719 1.00 64.00 H new ATOM 0 HB2 SER A 8 6.846 -12.390 -6.125 1.00 52.44 H new ATOM 0 HB3 SER A 8 8.173 -11.389 -5.570 1.00 52.44 H new ATOM 0 HG SER A 8 8.558 -13.641 -5.201 1.00 24.02 H new ATOM 101 N TRP A 9 3.983 -10.861 -4.224 1.00 4.52 N ATOM 102 CA TRP A 9 2.550 -11.150 -4.267 1.00 40.53 C ATOM 103 C TRP A 9 1.903 -10.281 -5.330 1.00 40.11 C ATOM 104 O TRP A 9 2.299 -9.125 -5.505 1.00 13.02 O ATOM 105 CB TRP A 9 1.876 -10.878 -2.916 1.00 23.33 C ATOM 106 CG TRP A 9 2.251 -11.763 -1.770 1.00 13.00 C ATOM 107 CD1 TRP A 9 2.993 -12.891 -1.826 1.00 11.44 C ATOM 108 CD2 TRP A 9 1.847 -11.627 -0.379 1.00 30.24 C ATOM 109 NE1 TRP A 9 3.091 -13.451 -0.570 1.00 62.15 N ATOM 110 CE2 TRP A 9 2.414 -12.702 0.368 1.00 24.10 C ATOM 111 CE3 TRP A 9 1.043 -10.704 0.320 1.00 4.01 C ATOM 112 CZ2 TRP A 9 2.228 -12.829 1.751 1.00 40.50 C ATOM 113 CZ3 TRP A 9 0.827 -10.840 1.701 1.00 33.24 C ATOM 114 CH2 TRP A 9 1.431 -11.885 2.420 1.00 33.43 C ATOM 0 H TRP A 9 4.182 -9.887 -3.995 1.00 4.52 H new ATOM 0 HA TRP A 9 2.423 -12.207 -4.501 1.00 40.53 H new ATOM 0 HB2 TRP A 9 2.094 -9.848 -2.632 1.00 23.33 H new ATOM 0 HB3 TRP A 9 0.797 -10.948 -3.057 1.00 23.33 H new ATOM 0 HD1 TRP A 9 3.442 -13.294 -2.722 1.00 11.44 H new ATOM 0 HE1 TRP A 9 3.600 -14.310 -0.362 1.00 62.15 H new ATOM 0 HE3 TRP A 9 0.588 -9.882 -0.213 1.00 4.01 H new ATOM 0 HZ2 TRP A 9 2.690 -13.640 2.294 1.00 40.50 H new ATOM 0 HZ3 TRP A 9 0.191 -10.135 2.215 1.00 33.24 H new ATOM 0 HH2 TRP A 9 1.283 -11.963 3.487 1.00 33.43 H new ATOM 125 N ASN A 10 0.872 -10.827 -5.974 1.00 21.11 N ATOM 126 CA ASN A 10 0.072 -10.109 -6.962 1.00 3.23 C ATOM 127 C ASN A 10 -0.896 -9.212 -6.184 1.00 14.54 C ATOM 128 O ASN A 10 -1.289 -9.565 -5.074 1.00 34.11 O ATOM 129 CB ASN A 10 -0.587 -11.158 -7.893 1.00 21.22 C ATOM 130 CG ASN A 10 -1.916 -10.796 -8.556 1.00 40.44 C ATOM 131 OD1 ASN A 10 -2.240 -9.651 -8.842 1.00 24.04 O ATOM 132 ND2 ASN A 10 -2.754 -11.775 -8.829 1.00 34.32 N ATOM 0 H ASN A 10 0.567 -11.788 -5.822 1.00 21.11 H new ATOM 0 HA ASN A 10 0.644 -9.453 -7.618 1.00 3.23 H new ATOM 0 HB2 ASN A 10 0.125 -11.398 -8.682 1.00 21.22 H new ATOM 0 HB3 ASN A 10 -0.740 -12.069 -7.314 1.00 21.22 H new ATOM 0 HD21 ASN A 10 -3.651 -11.571 -9.270 1.00 34.32 H new ATOM 0 HD22 ASN A 10 -2.506 -12.737 -8.600 1.00 34.32 H new ATOM 139 N LEU A 11 -1.332 -8.092 -6.765 1.00 61.01 N ATOM 140 CA LEU A 11 -2.405 -7.252 -6.238 1.00 32.45 C ATOM 141 C LEU A 11 -3.599 -8.086 -5.773 1.00 41.12 C ATOM 142 O LEU A 11 -4.140 -7.811 -4.708 1.00 0.54 O ATOM 143 CB LEU A 11 -2.852 -6.245 -7.312 1.00 22.45 C ATOM 144 CG LEU A 11 -4.009 -5.327 -6.862 1.00 75.25 C ATOM 145 CD1 LEU A 11 -3.555 -4.312 -5.809 1.00 74.33 C ATOM 146 CD2 LEU A 11 -4.573 -4.584 -8.074 1.00 62.11 C ATOM 0 H LEU A 11 -0.938 -7.737 -7.636 1.00 61.01 H new ATOM 0 HA LEU A 11 -2.018 -6.717 -5.371 1.00 32.45 H new ATOM 0 HB2 LEU A 11 -2.000 -5.627 -7.595 1.00 22.45 H new ATOM 0 HB3 LEU A 11 -3.160 -6.791 -8.204 1.00 22.45 H new ATOM 0 HG LEU A 11 -4.777 -5.956 -6.412 1.00 75.25 H new ATOM 0 HD11 LEU A 11 -4.399 -3.686 -5.520 1.00 74.33 H new ATOM 0 HD12 LEU A 11 -3.178 -4.840 -4.933 1.00 74.33 H new ATOM 0 HD13 LEU A 11 -2.764 -3.686 -6.224 1.00 74.33 H new ATOM 0 HD21 LEU A 11 -5.390 -3.936 -7.756 1.00 62.11 H new ATOM 0 HD22 LEU A 11 -3.787 -3.981 -8.529 1.00 62.11 H new ATOM 0 HD23 LEU A 11 -4.944 -5.305 -8.802 1.00 62.11 H new ATOM 158 N ARG A 12 -4.034 -9.083 -6.551 1.00 0.05 N ATOM 159 CA ARG A 12 -5.147 -9.927 -6.138 1.00 44.23 C ATOM 160 C ARG A 12 -4.780 -10.774 -4.924 1.00 3.34 C ATOM 161 O ARG A 12 -5.567 -10.821 -3.985 1.00 41.02 O ATOM 162 CB ARG A 12 -5.640 -10.782 -7.315 1.00 22.25 C ATOM 163 CG ARG A 12 -7.158 -10.649 -7.454 1.00 73.21 C ATOM 164 CD ARG A 12 -7.645 -11.400 -8.693 1.00 51.12 C ATOM 165 NE ARG A 12 -9.081 -11.163 -8.905 1.00 42.40 N ATOM 166 CZ ARG A 12 -9.859 -11.726 -9.834 1.00 63.12 C ATOM 167 NH1 ARG A 12 -9.371 -12.570 -10.736 1.00 1.41 N ATOM 168 NH2 ARG A 12 -11.152 -11.427 -9.867 1.00 42.21 N ATOM 0 H ARG A 12 -3.634 -9.319 -7.459 1.00 0.05 H new ATOM 0 HA ARG A 12 -5.972 -9.284 -5.832 1.00 44.23 H new ATOM 0 HB2 ARG A 12 -5.152 -10.464 -8.236 1.00 22.25 H new ATOM 0 HB3 ARG A 12 -5.371 -11.826 -7.156 1.00 22.25 H new ATOM 0 HG2 ARG A 12 -7.648 -11.045 -6.564 1.00 73.21 H new ATOM 0 HG3 ARG A 12 -7.433 -9.597 -7.527 1.00 73.21 H new ATOM 0 HD2 ARG A 12 -7.083 -11.074 -9.568 1.00 51.12 H new ATOM 0 HD3 ARG A 12 -7.460 -12.468 -8.575 1.00 51.12 H new ATOM 0 HE ARG A 12 -9.531 -10.498 -8.276 1.00 42.40 H new ATOM 0 HH11 ARG A 12 -8.378 -12.804 -10.731 1.00 1.41 H new ATOM 0 HH12 ARG A 12 -9.989 -12.985 -11.433 1.00 1.41 H new ATOM 0 HH21 ARG A 12 -11.542 -10.774 -9.188 1.00 42.21 H new ATOM 0 HH22 ARG A 12 -11.756 -11.851 -10.572 1.00 42.21 H new ATOM 182 N GLU A 13 -3.582 -11.367 -4.921 1.00 73.54 N ATOM 183 CA GLU A 13 -3.079 -12.170 -3.808 1.00 10.41 C ATOM 184 C GLU A 13 -3.088 -11.367 -2.506 1.00 23.33 C ATOM 185 O GLU A 13 -3.524 -11.864 -1.469 1.00 34.34 O ATOM 186 CB GLU A 13 -1.685 -12.747 -4.106 1.00 2.43 C ATOM 187 CG GLU A 13 -1.723 -13.834 -5.189 1.00 64.42 C ATOM 188 CD GLU A 13 -2.661 -14.983 -4.813 1.00 65.42 C ATOM 189 OE1 GLU A 13 -2.606 -15.443 -3.648 1.00 65.05 O ATOM 190 OE2 GLU A 13 -3.488 -15.372 -5.665 1.00 43.34 O ATOM 0 H GLU A 13 -2.929 -11.301 -5.702 1.00 73.54 H new ATOM 0 HA GLU A 13 -3.753 -13.017 -3.682 1.00 10.41 H new ATOM 0 HB2 GLU A 13 -1.022 -11.943 -4.425 1.00 2.43 H new ATOM 0 HB3 GLU A 13 -1.264 -13.164 -3.191 1.00 2.43 H new ATOM 0 HG2 GLU A 13 -2.047 -13.395 -6.133 1.00 64.42 H new ATOM 0 HG3 GLU A 13 -0.717 -14.224 -5.348 1.00 64.42 H new ATOM 197 N MET A 14 -2.631 -10.119 -2.588 1.00 0.13 N ATOM 198 CA MET A 14 -2.603 -9.125 -1.530 1.00 73.11 C ATOM 199 C MET A 14 -4.017 -8.753 -1.071 1.00 2.21 C ATOM 200 O MET A 14 -4.292 -8.752 0.131 1.00 74.02 O ATOM 201 CB MET A 14 -1.836 -7.920 -2.093 1.00 61.21 C ATOM 202 CG MET A 14 -1.905 -6.669 -1.223 1.00 52.22 C ATOM 203 SD MET A 14 -1.137 -5.196 -1.944 1.00 1.13 S ATOM 204 CE MET A 14 0.487 -5.798 -2.445 1.00 34.45 C ATOM 0 H MET A 14 -2.244 -9.756 -3.459 1.00 0.13 H new ATOM 0 HA MET A 14 -2.107 -9.509 -0.638 1.00 73.11 H new ATOM 0 HB2 MET A 14 -0.791 -8.199 -2.225 1.00 61.21 H new ATOM 0 HB3 MET A 14 -2.230 -7.683 -3.081 1.00 61.21 H new ATOM 0 HG2 MET A 14 -2.951 -6.449 -1.011 1.00 52.22 H new ATOM 0 HG3 MET A 14 -1.424 -6.881 -0.268 1.00 52.22 H new ATOM 0 HE1 MET A 14 1.136 -4.951 -2.667 1.00 34.45 H new ATOM 0 HE2 MET A 14 0.922 -6.386 -1.637 1.00 34.45 H new ATOM 0 HE3 MET A 14 0.386 -6.421 -3.334 1.00 34.45 H new ATOM 214 N LEU A 15 -4.902 -8.411 -2.011 1.00 51.32 N ATOM 215 CA LEU A 15 -6.268 -7.987 -1.726 1.00 45.20 C ATOM 216 C LEU A 15 -7.005 -9.085 -0.963 1.00 65.12 C ATOM 217 O LEU A 15 -7.606 -8.810 0.078 1.00 61.44 O ATOM 218 CB LEU A 15 -6.991 -7.637 -3.042 1.00 15.00 C ATOM 219 CG LEU A 15 -8.308 -6.884 -2.784 1.00 43.13 C ATOM 220 CD1 LEU A 15 -8.033 -5.390 -2.544 1.00 34.15 C ATOM 221 CD2 LEU A 15 -9.278 -7.046 -3.953 1.00 54.12 C ATOM 0 H LEU A 15 -4.682 -8.422 -3.007 1.00 51.32 H new ATOM 0 HA LEU A 15 -6.251 -7.095 -1.100 1.00 45.20 H new ATOM 0 HB2 LEU A 15 -6.338 -7.025 -3.665 1.00 15.00 H new ATOM 0 HB3 LEU A 15 -7.197 -8.551 -3.598 1.00 15.00 H new ATOM 0 HG LEU A 15 -8.766 -7.315 -1.894 1.00 43.13 H new ATOM 0 HD11 LEU A 15 -8.974 -4.871 -2.363 1.00 34.15 H new ATOM 0 HD12 LEU A 15 -7.383 -5.274 -1.677 1.00 34.15 H new ATOM 0 HD13 LEU A 15 -7.547 -4.964 -3.422 1.00 34.15 H new ATOM 0 HD21 LEU A 15 -10.199 -6.502 -3.740 1.00 54.12 H new ATOM 0 HD22 LEU A 15 -8.824 -6.649 -4.861 1.00 54.12 H new ATOM 0 HD23 LEU A 15 -9.505 -8.103 -4.094 1.00 54.12 H new ATOM 233 N ALA A 16 -6.925 -10.315 -1.468 1.00 61.20 N ATOM 234 CA ALA A 16 -7.506 -11.498 -0.861 1.00 1.25 C ATOM 235 C ALA A 16 -6.936 -11.755 0.531 1.00 70.11 C ATOM 236 O ALA A 16 -7.662 -12.213 1.415 1.00 31.25 O ATOM 237 CB ALA A 16 -7.194 -12.690 -1.767 1.00 74.02 C ATOM 0 H ALA A 16 -6.436 -10.516 -2.340 1.00 61.20 H new ATOM 0 HA ALA A 16 -8.581 -11.352 -0.753 1.00 1.25 H new ATOM 0 HB1 ALA A 16 -7.619 -13.596 -1.335 1.00 74.02 H new ATOM 0 HB2 ALA A 16 -7.626 -12.520 -2.753 1.00 74.02 H new ATOM 0 HB3 ALA A 16 -6.114 -12.804 -1.859 1.00 74.02 H new ATOM 243 N HIS A 17 -5.647 -11.474 0.733 1.00 31.14 N ATOM 244 CA HIS A 17 -5.005 -11.676 2.015 1.00 1.45 C ATOM 245 C HIS A 17 -5.622 -10.772 3.083 1.00 23.24 C ATOM 246 O HIS A 17 -6.037 -11.247 4.142 1.00 74.21 O ATOM 247 CB HIS A 17 -3.493 -11.459 1.900 1.00 0.04 C ATOM 248 CG HIS A 17 -2.771 -11.991 3.098 1.00 34.32 C ATOM 249 ND1 HIS A 17 -2.971 -13.235 3.660 1.00 44.32 N ATOM 250 CD2 HIS A 17 -1.827 -11.326 3.828 1.00 34.21 C ATOM 251 CE1 HIS A 17 -2.158 -13.331 4.718 1.00 61.42 C ATOM 252 NE2 HIS A 17 -1.430 -12.204 4.850 1.00 75.24 N ATOM 0 H HIS A 17 -5.030 -11.102 0.011 1.00 31.14 H new ATOM 0 HA HIS A 17 -5.171 -12.708 2.325 1.00 1.45 H new ATOM 0 HB2 HIS A 17 -3.121 -11.951 1.001 1.00 0.04 H new ATOM 0 HB3 HIS A 17 -3.284 -10.395 1.791 1.00 0.04 H new ATOM 0 HD2 HIS A 17 -1.460 -10.325 3.654 1.00 34.21 H new ATOM 0 HE1 HIS A 17 -2.094 -14.188 5.372 1.00 61.42 H new ATOM 0 HE2 HIS A 17 -0.722 -12.022 5.561 1.00 75.24 H new ATOM 260 N ALA A 18 -5.693 -9.466 2.814 1.00 24.21 N ATOM 261 CA ALA A 18 -6.269 -8.485 3.725 1.00 62.10 C ATOM 262 C ALA A 18 -7.785 -8.657 3.883 1.00 35.31 C ATOM 263 O ALA A 18 -8.349 -8.082 4.810 1.00 34.55 O ATOM 264 CB ALA A 18 -5.921 -7.076 3.232 1.00 24.12 C ATOM 0 H ALA A 18 -5.346 -9.059 1.945 1.00 24.21 H new ATOM 0 HA ALA A 18 -5.840 -8.642 4.714 1.00 62.10 H new ATOM 0 HB1 ALA A 18 -6.349 -6.337 3.910 1.00 24.12 H new ATOM 0 HB2 ALA A 18 -4.838 -6.958 3.204 1.00 24.12 H new ATOM 0 HB3 ALA A 18 -6.328 -6.930 2.232 1.00 24.12 H new ATOM 270 N GLU A 19 -8.449 -9.424 3.008 1.00 1.22 N ATOM 271 CA GLU A 19 -9.850 -9.795 3.183 1.00 52.44 C ATOM 272 C GLU A 19 -10.011 -10.884 4.236 1.00 15.43 C ATOM 273 O GLU A 19 -10.949 -10.846 5.034 1.00 53.22 O ATOM 274 CB GLU A 19 -10.470 -10.282 1.858 1.00 55.32 C ATOM 275 CG GLU A 19 -11.127 -9.118 1.123 1.00 51.21 C ATOM 276 CD GLU A 19 -12.196 -9.582 0.143 1.00 13.13 C ATOM 277 OE1 GLU A 19 -11.856 -10.192 -0.896 1.00 50.42 O ATOM 278 OE2 GLU A 19 -13.401 -9.311 0.368 1.00 62.41 O ATOM 0 H GLU A 19 -8.026 -9.802 2.161 1.00 1.22 H new ATOM 0 HA GLU A 19 -10.372 -8.898 3.516 1.00 52.44 H new ATOM 0 HB2 GLU A 19 -9.699 -10.729 1.230 1.00 55.32 H new ATOM 0 HB3 GLU A 19 -11.208 -11.059 2.058 1.00 55.32 H new ATOM 0 HG2 GLU A 19 -11.573 -8.438 1.849 1.00 51.21 H new ATOM 0 HG3 GLU A 19 -10.365 -8.554 0.585 1.00 51.21 H new ATOM 285 N GLU A 20 -9.122 -11.874 4.225 1.00 12.43 N ATOM 286 CA GLU A 20 -9.169 -13.006 5.144 1.00 62.20 C ATOM 287 C GLU A 20 -8.632 -12.617 6.529 1.00 51.44 C ATOM 288 O GLU A 20 -8.718 -13.385 7.489 1.00 12.21 O ATOM 289 CB GLU A 20 -8.316 -14.128 4.532 1.00 53.42 C ATOM 290 CG GLU A 20 -8.630 -15.508 5.118 1.00 44.15 C ATOM 291 CD GLU A 20 -10.083 -15.944 4.884 1.00 70.25 C ATOM 292 OE1 GLU A 20 -10.665 -15.588 3.839 1.00 15.41 O ATOM 293 OE2 GLU A 20 -10.689 -16.587 5.775 1.00 71.31 O ATOM 0 H GLU A 20 -8.341 -11.912 3.570 1.00 12.43 H new ATOM 0 HA GLU A 20 -10.199 -13.335 5.283 1.00 62.20 H new ATOM 0 HB2 GLU A 20 -8.477 -14.152 3.454 1.00 53.42 H new ATOM 0 HB3 GLU A 20 -7.261 -13.903 4.692 1.00 53.42 H new ATOM 0 HG2 GLU A 20 -7.960 -16.245 4.676 1.00 44.15 H new ATOM 0 HG3 GLU A 20 -8.428 -15.496 6.189 1.00 44.15 H new ATOM 300 N THR A 21 -8.049 -11.427 6.645 1.00 64.22 N ATOM 301 CA THR A 21 -7.341 -10.963 7.821 1.00 73.23 C ATOM 302 C THR A 21 -7.798 -9.535 8.143 1.00 35.34 C ATOM 303 O THR A 21 -8.842 -9.077 7.678 1.00 1.20 O ATOM 304 CB THR A 21 -5.826 -11.132 7.605 1.00 54.23 C ATOM 305 OG1 THR A 21 -5.368 -10.325 6.544 1.00 33.34 O ATOM 306 CG2 THR A 21 -5.395 -12.570 7.297 1.00 51.24 C ATOM 0 H THR A 21 -8.061 -10.739 5.892 1.00 64.22 H new ATOM 0 HA THR A 21 -7.576 -11.559 8.703 1.00 73.23 H new ATOM 0 HB THR A 21 -5.384 -10.833 8.556 1.00 54.23 H new ATOM 0 HG1 THR A 21 -5.590 -10.751 5.690 1.00 33.34 H new ATOM 0 HG21 THR A 21 -4.314 -12.604 7.158 1.00 51.24 H new ATOM 0 HG22 THR A 21 -5.675 -13.219 8.126 1.00 51.24 H new ATOM 0 HG23 THR A 21 -5.889 -12.911 6.387 1.00 51.24 H new ATOM 314 N ARG A 22 -7.071 -8.840 9.017 1.00 14.25 N ATOM 315 CA ARG A 22 -7.502 -7.583 9.629 1.00 73.45 C ATOM 316 C ARG A 22 -6.409 -6.540 9.424 1.00 32.24 C ATOM 317 O ARG A 22 -5.913 -5.944 10.387 1.00 54.24 O ATOM 318 CB ARG A 22 -7.888 -7.825 11.107 1.00 34.42 C ATOM 319 CG ARG A 22 -8.767 -9.069 11.354 1.00 62.10 C ATOM 320 CD ARG A 22 -10.110 -9.093 10.617 1.00 74.00 C ATOM 321 NE ARG A 22 -11.203 -8.522 11.413 1.00 13.33 N ATOM 322 CZ ARG A 22 -12.423 -8.247 10.942 1.00 54.13 C ATOM 323 NH1 ARG A 22 -12.722 -8.497 9.669 1.00 11.23 N ATOM 324 NH2 ARG A 22 -13.328 -7.732 11.762 1.00 40.34 N ATOM 0 H ARG A 22 -6.147 -9.141 9.326 1.00 14.25 H new ATOM 0 HA ARG A 22 -8.401 -7.192 9.153 1.00 73.45 H new ATOM 0 HB2 ARG A 22 -6.975 -7.921 11.695 1.00 34.42 H new ATOM 0 HB3 ARG A 22 -8.415 -6.946 11.478 1.00 34.42 H new ATOM 0 HG2 ARG A 22 -8.200 -9.954 11.066 1.00 62.10 H new ATOM 0 HG3 ARG A 22 -8.960 -9.148 12.424 1.00 62.10 H new ATOM 0 HD2 ARG A 22 -10.017 -8.538 9.683 1.00 74.00 H new ATOM 0 HD3 ARG A 22 -10.357 -10.121 10.353 1.00 74.00 H new ATOM 0 HE ARG A 22 -11.018 -8.321 12.396 1.00 13.33 H new ATOM 0 HH11 ARG A 22 -12.019 -8.900 9.050 1.00 11.23 H new ATOM 0 HH12 ARG A 22 -13.654 -8.286 9.313 1.00 11.23 H new ATOM 0 HH21 ARG A 22 -13.089 -7.551 12.737 1.00 40.34 H new ATOM 0 HH22 ARG A 22 -14.264 -7.516 11.418 1.00 40.34 H new ATOM 338 N LYS A 23 -5.930 -6.418 8.185 1.00 15.12 N ATOM 339 CA LYS A 23 -4.801 -5.569 7.814 1.00 41.01 C ATOM 340 C LYS A 23 -5.316 -4.403 6.984 1.00 11.11 C ATOM 341 O LYS A 23 -6.301 -4.548 6.263 1.00 5.31 O ATOM 342 CB LYS A 23 -3.766 -6.372 7.009 1.00 54.52 C ATOM 343 CG LYS A 23 -2.775 -7.139 7.893 1.00 12.42 C ATOM 344 CD LYS A 23 -3.406 -8.270 8.714 1.00 12.34 C ATOM 345 CE LYS A 23 -2.298 -9.052 9.406 1.00 0.23 C ATOM 346 NZ LYS A 23 -2.655 -10.453 9.700 1.00 2.42 N ATOM 0 H LYS A 23 -6.328 -6.921 7.392 1.00 15.12 H new ATOM 0 HA LYS A 23 -4.316 -5.196 8.716 1.00 41.01 H new ATOM 0 HB2 LYS A 23 -4.287 -7.078 6.362 1.00 54.52 H new ATOM 0 HB3 LYS A 23 -3.213 -5.692 6.360 1.00 54.52 H new ATOM 0 HG2 LYS A 23 -1.992 -7.558 7.261 1.00 12.42 H new ATOM 0 HG3 LYS A 23 -2.294 -6.436 8.574 1.00 12.42 H new ATOM 0 HD2 LYS A 23 -4.096 -7.861 9.452 1.00 12.34 H new ATOM 0 HD3 LYS A 23 -3.985 -8.929 8.067 1.00 12.34 H new ATOM 0 HE2 LYS A 23 -1.408 -9.038 8.777 1.00 0.23 H new ATOM 0 HE3 LYS A 23 -2.038 -8.549 10.338 1.00 0.23 H new ATOM 0 HZ1 LYS A 23 -1.856 -10.924 10.170 1.00 2.42 H new ATOM 0 HZ2 LYS A 23 -3.486 -10.476 10.325 1.00 2.42 H new ATOM 0 HZ3 LYS A 23 -2.875 -10.949 8.813 1.00 2.42 H new ATOM 360 N LEU A 24 -4.629 -3.265 7.062 1.00 14.01 N ATOM 361 CA LEU A 24 -4.931 -2.122 6.213 1.00 71.44 C ATOM 362 C LEU A 24 -4.425 -2.392 4.793 1.00 75.02 C ATOM 363 O LEU A 24 -3.373 -3.014 4.621 1.00 11.12 O ATOM 364 CB LEU A 24 -4.240 -0.868 6.760 1.00 62.10 C ATOM 365 CG LEU A 24 -4.807 0.449 6.183 1.00 22.31 C ATOM 366 CD1 LEU A 24 -5.983 0.956 7.011 1.00 33.31 C ATOM 367 CD2 LEU A 24 -3.740 1.538 6.197 1.00 54.34 C ATOM 0 H LEU A 24 -3.856 -3.113 7.710 1.00 14.01 H new ATOM 0 HA LEU A 24 -6.010 -1.966 6.199 1.00 71.44 H new ATOM 0 HB2 LEU A 24 -4.339 -0.852 7.845 1.00 62.10 H new ATOM 0 HB3 LEU A 24 -3.174 -0.924 6.538 1.00 62.10 H new ATOM 0 HG LEU A 24 -5.132 0.235 5.165 1.00 22.31 H new ATOM 0 HD11 LEU A 24 -6.359 1.883 6.579 1.00 33.31 H new ATOM 0 HD12 LEU A 24 -6.776 0.208 7.012 1.00 33.31 H new ATOM 0 HD13 LEU A 24 -5.655 1.139 8.034 1.00 33.31 H new ATOM 0 HD21 LEU A 24 -4.155 2.459 5.788 1.00 54.34 H new ATOM 0 HD22 LEU A 24 -3.411 1.712 7.222 1.00 54.34 H new ATOM 0 HD23 LEU A 24 -2.890 1.222 5.592 1.00 54.34 H new ATOM 379 N MET A 25 -5.093 -1.804 3.802 1.00 73.02 N ATOM 380 CA MET A 25 -4.661 -1.711 2.412 1.00 72.24 C ATOM 381 C MET A 25 -4.648 -0.221 2.014 1.00 41.12 C ATOM 382 O MET A 25 -5.652 0.309 1.534 1.00 43.52 O ATOM 383 CB MET A 25 -5.568 -2.586 1.536 1.00 42.25 C ATOM 384 CG MET A 25 -5.274 -2.464 0.035 1.00 33.11 C ATOM 385 SD MET A 25 -3.763 -3.215 -0.603 1.00 60.30 S ATOM 386 CE MET A 25 -4.517 -4.234 -1.900 1.00 62.10 C ATOM 0 H MET A 25 -5.997 -1.357 3.957 1.00 73.02 H new ATOM 0 HA MET A 25 -3.650 -2.093 2.269 1.00 72.24 H new ATOM 0 HB2 MET A 25 -5.455 -3.628 1.837 1.00 42.25 H new ATOM 0 HB3 MET A 25 -6.608 -2.313 1.718 1.00 42.25 H new ATOM 0 HG2 MET A 25 -6.115 -2.898 -0.505 1.00 33.11 H new ATOM 0 HG3 MET A 25 -5.249 -1.403 -0.214 1.00 33.11 H new ATOM 0 HE1 MET A 25 -3.813 -4.356 -2.723 1.00 62.10 H new ATOM 0 HE2 MET A 25 -4.771 -5.212 -1.492 1.00 62.10 H new ATOM 0 HE3 MET A 25 -5.421 -3.747 -2.265 1.00 62.10 H new ATOM 396 N PRO A 26 -3.561 0.520 2.280 1.00 33.41 N ATOM 397 CA PRO A 26 -3.420 1.905 1.840 1.00 71.12 C ATOM 398 C PRO A 26 -3.146 1.968 0.328 1.00 43.15 C ATOM 399 O PRO A 26 -2.299 1.216 -0.166 1.00 55.51 O ATOM 400 CB PRO A 26 -2.249 2.448 2.659 1.00 44.34 C ATOM 401 CG PRO A 26 -1.382 1.215 2.928 1.00 54.24 C ATOM 402 CD PRO A 26 -2.388 0.071 3.008 1.00 54.23 C ATOM 0 HA PRO A 26 -4.324 2.494 1.996 1.00 71.12 H new ATOM 0 HB2 PRO A 26 -1.698 3.211 2.110 1.00 44.34 H new ATOM 0 HB3 PRO A 26 -2.590 2.907 3.587 1.00 44.34 H new ATOM 0 HG2 PRO A 26 -0.657 1.055 2.130 1.00 54.24 H new ATOM 0 HG3 PRO A 26 -0.818 1.317 3.855 1.00 54.24 H new ATOM 0 HD2 PRO A 26 -1.980 -0.839 2.568 1.00 54.23 H new ATOM 0 HD3 PRO A 26 -2.636 -0.159 4.044 1.00 54.23 H new ATOM 410 N ILE A 27 -3.811 2.885 -0.388 1.00 50.44 N ATOM 411 CA ILE A 27 -3.788 3.037 -1.850 1.00 1.14 C ATOM 412 C ILE A 27 -3.790 4.536 -2.166 1.00 22.44 C ATOM 413 O ILE A 27 -4.587 5.269 -1.578 1.00 10.22 O ATOM 414 CB ILE A 27 -5.051 2.378 -2.453 1.00 41.33 C ATOM 415 CG1 ILE A 27 -5.067 0.846 -2.269 1.00 64.42 C ATOM 416 CG2 ILE A 27 -5.226 2.705 -3.951 1.00 34.14 C ATOM 417 CD1 ILE A 27 -6.508 0.345 -2.220 1.00 2.24 C ATOM 0 H ILE A 27 -4.411 3.577 0.060 1.00 50.44 H new ATOM 0 HA ILE A 27 -2.904 2.560 -2.273 1.00 1.14 H new ATOM 0 HB ILE A 27 -5.885 2.806 -1.897 1.00 41.33 H new ATOM 0 HG12 ILE A 27 -4.534 0.367 -3.090 1.00 64.42 H new ATOM 0 HG13 ILE A 27 -4.547 0.576 -1.350 1.00 64.42 H new ATOM 0 HG21 ILE A 27 -6.126 2.219 -4.327 1.00 34.14 H new ATOM 0 HG22 ILE A 27 -5.315 3.784 -4.080 1.00 34.14 H new ATOM 0 HG23 ILE A 27 -4.360 2.343 -4.506 1.00 34.14 H new ATOM 0 HD11 ILE A 27 -6.513 -0.737 -2.090 1.00 2.24 H new ATOM 0 HD12 ILE A 27 -7.028 0.813 -1.384 1.00 2.24 H new ATOM 0 HD13 ILE A 27 -7.014 0.601 -3.151 1.00 2.24 H new ATOM 429 N CYS A 28 -2.966 4.992 -3.114 1.00 12.30 N ATOM 430 CA CYS A 28 -2.996 6.391 -3.527 1.00 72.11 C ATOM 431 C CYS A 28 -4.177 6.613 -4.472 1.00 34.45 C ATOM 432 O CYS A 28 -4.493 5.769 -5.306 1.00 23.12 O ATOM 433 CB CYS A 28 -1.675 6.789 -4.196 1.00 5.31 C ATOM 434 SG CYS A 28 -1.614 8.601 -4.291 1.00 15.31 S ATOM 0 H CYS A 28 -2.279 4.418 -3.603 1.00 12.30 H new ATOM 0 HA CYS A 28 -3.121 7.023 -2.648 1.00 72.11 H new ATOM 0 HB2 CYS A 28 -0.829 6.409 -3.623 1.00 5.31 H new ATOM 0 HB3 CYS A 28 -1.607 6.353 -5.193 1.00 5.31 H new ATOM 0 HG CYS A 28 -2.607 9.104 -3.619 1.00 15.31 H new ATOM 440 N MET A 29 -4.813 7.781 -4.394 1.00 40.31 N ATOM 441 CA MET A 29 -5.900 8.200 -5.279 1.00 41.22 C ATOM 442 C MET A 29 -5.378 8.465 -6.697 1.00 44.00 C ATOM 443 O MET A 29 -6.161 8.677 -7.620 1.00 32.02 O ATOM 444 CB MET A 29 -6.531 9.466 -4.673 1.00 44.54 C ATOM 445 CG MET A 29 -7.972 9.701 -5.118 1.00 32.12 C ATOM 446 SD MET A 29 -8.864 10.935 -4.130 1.00 65.32 S ATOM 447 CE MET A 29 -8.899 10.112 -2.511 1.00 14.11 C ATOM 0 H MET A 29 -4.579 8.483 -3.692 1.00 40.31 H new ATOM 0 HA MET A 29 -6.648 7.412 -5.362 1.00 41.22 H new ATOM 0 HB2 MET A 29 -6.502 9.392 -3.586 1.00 44.54 H new ATOM 0 HB3 MET A 29 -5.928 10.331 -4.950 1.00 44.54 H new ATOM 0 HG2 MET A 29 -7.971 10.018 -6.161 1.00 32.12 H new ATOM 0 HG3 MET A 29 -8.513 8.756 -5.073 1.00 32.12 H new ATOM 0 HE1 MET A 29 -9.811 10.388 -1.982 1.00 14.11 H new ATOM 0 HE2 MET A 29 -8.874 9.031 -2.652 1.00 14.11 H new ATOM 0 HE3 MET A 29 -8.033 10.422 -1.926 1.00 14.11 H new ATOM 457 N ASP A 30 -4.057 8.503 -6.866 1.00 23.41 N ATOM 458 CA ASP A 30 -3.366 8.794 -8.108 1.00 24.33 C ATOM 459 C ASP A 30 -3.399 7.647 -9.089 1.00 24.32 C ATOM 460 O ASP A 30 -3.568 7.881 -10.292 1.00 24.34 O ATOM 461 CB ASP A 30 -1.923 9.149 -7.777 1.00 11.43 C ATOM 462 CG ASP A 30 -1.265 9.784 -8.990 1.00 72.51 C ATOM 463 OD1 ASP A 30 -1.558 10.966 -9.252 1.00 3.43 O ATOM 464 OD2 ASP A 30 -0.543 9.057 -9.716 1.00 13.25 O ATOM 0 H ASP A 30 -3.412 8.321 -6.097 1.00 23.41 H new ATOM 0 HA ASP A 30 -3.880 9.625 -8.592 1.00 24.33 H new ATOM 0 HB2 ASP A 30 -1.891 9.836 -6.932 1.00 11.43 H new ATOM 0 HB3 ASP A 30 -1.376 8.254 -7.481 1.00 11.43 H new ATOM 469 N VAL A 31 -3.238 6.418 -8.600 1.00 34.13 N ATOM 470 CA VAL A 31 -3.211 5.276 -9.481 1.00 20.51 C ATOM 471 C VAL A 31 -4.618 5.088 -10.061 1.00 22.12 C ATOM 472 O VAL A 31 -5.630 5.414 -9.433 1.00 51.14 O ATOM 473 CB VAL A 31 -2.629 4.020 -8.768 1.00 70.21 C ATOM 474 CG1 VAL A 31 -3.174 3.785 -7.357 1.00 52.42 C ATOM 475 CG2 VAL A 31 -2.719 2.775 -9.651 1.00 30.43 C ATOM 0 H VAL A 31 -3.126 6.200 -7.610 1.00 34.13 H new ATOM 0 HA VAL A 31 -2.531 5.442 -10.316 1.00 20.51 H new ATOM 0 HB VAL A 31 -1.572 4.236 -8.616 1.00 70.21 H new ATOM 0 HG11 VAL A 31 -2.716 2.891 -6.934 1.00 52.42 H new ATOM 0 HG12 VAL A 31 -2.940 4.644 -6.729 1.00 52.42 H new ATOM 0 HG13 VAL A 31 -4.255 3.652 -7.402 1.00 52.42 H new ATOM 0 HG21 VAL A 31 -2.303 1.920 -9.118 1.00 30.43 H new ATOM 0 HG22 VAL A 31 -3.763 2.577 -9.896 1.00 30.43 H new ATOM 0 HG23 VAL A 31 -2.156 2.939 -10.570 1.00 30.43 H new ATOM 485 N ARG A 32 -4.683 4.561 -11.280 1.00 52.11 N ATOM 486 CA ARG A 32 -5.908 4.111 -11.908 1.00 0.25 C ATOM 487 C ARG A 32 -6.051 2.621 -11.660 1.00 44.14 C ATOM 488 O ARG A 32 -6.930 2.239 -10.901 1.00 23.02 O ATOM 489 CB ARG A 32 -5.883 4.503 -13.390 1.00 74.40 C ATOM 490 CG ARG A 32 -6.507 5.879 -13.650 1.00 12.34 C ATOM 491 CD ARG A 32 -5.887 7.009 -12.820 1.00 73.33 C ATOM 492 NE ARG A 32 -6.240 8.317 -13.385 1.00 60.51 N ATOM 493 CZ ARG A 32 -5.992 9.514 -12.848 1.00 32.23 C ATOM 494 NH1 ARG A 32 -5.305 9.629 -11.716 1.00 20.35 N ATOM 495 NH2 ARG A 32 -6.441 10.609 -13.444 1.00 42.24 N ATOM 0 H ARG A 32 -3.860 4.434 -11.869 1.00 52.11 H new ATOM 0 HA ARG A 32 -6.791 4.589 -11.483 1.00 0.25 H new ATOM 0 HB2 ARG A 32 -4.852 4.504 -13.744 1.00 74.40 H new ATOM 0 HB3 ARG A 32 -6.418 3.751 -13.969 1.00 74.40 H new ATOM 0 HG2 ARG A 32 -6.404 6.120 -14.708 1.00 12.34 H new ATOM 0 HG3 ARG A 32 -7.575 5.829 -13.437 1.00 12.34 H new ATOM 0 HD2 ARG A 32 -6.237 6.945 -11.790 1.00 73.33 H new ATOM 0 HD3 ARG A 32 -4.803 6.898 -12.796 1.00 73.33 H new ATOM 0 HE ARG A 32 -6.726 8.311 -14.282 1.00 60.51 H new ATOM 0 HH11 ARG A 32 -4.958 8.795 -11.243 1.00 20.35 H new ATOM 0 HH12 ARG A 32 -5.125 10.552 -11.320 1.00 20.35 H new ATOM 0 HH21 ARG A 32 -6.974 10.536 -14.310 1.00 42.24 H new ATOM 0 HH22 ARG A 32 -6.253 11.525 -13.036 1.00 42.24 H new ATOM 509 N ALA A 33 -5.165 1.783 -12.203 1.00 51.44 N ATOM 510 CA ALA A 33 -5.345 0.334 -12.206 1.00 2.30 C ATOM 511 C ALA A 33 -5.598 -0.256 -10.814 1.00 72.13 C ATOM 512 O ALA A 33 -6.430 -1.151 -10.677 1.00 11.05 O ATOM 513 CB ALA A 33 -4.131 -0.353 -12.840 1.00 23.54 C ATOM 0 H ALA A 33 -4.303 2.092 -12.652 1.00 51.44 H new ATOM 0 HA ALA A 33 -6.240 0.144 -12.798 1.00 2.30 H new ATOM 0 HB1 ALA A 33 -4.280 -1.433 -12.835 1.00 23.54 H new ATOM 0 HB2 ALA A 33 -4.013 -0.008 -13.867 1.00 23.54 H new ATOM 0 HB3 ALA A 33 -3.235 -0.108 -12.270 1.00 23.54 H new ATOM 519 N ILE A 34 -4.865 0.182 -9.789 1.00 10.41 N ATOM 520 CA ILE A 34 -4.995 -0.363 -8.436 1.00 54.31 C ATOM 521 C ILE A 34 -6.352 0.057 -7.870 1.00 2.51 C ATOM 522 O ILE A 34 -7.153 -0.796 -7.496 1.00 12.31 O ATOM 523 CB ILE A 34 -3.784 0.067 -7.607 1.00 72.12 C ATOM 524 CG1 ILE A 34 -2.620 -0.769 -8.183 1.00 72.24 C ATOM 525 CG2 ILE A 34 -3.942 -0.108 -6.090 1.00 13.42 C ATOM 526 CD1 ILE A 34 -1.319 -0.570 -7.455 1.00 20.03 C ATOM 0 H ILE A 34 -4.167 0.921 -9.872 1.00 10.41 H new ATOM 0 HA ILE A 34 -4.987 -1.453 -8.422 1.00 54.31 H new ATOM 0 HB ILE A 34 -3.622 1.142 -7.691 1.00 72.12 H new ATOM 0 HG12 ILE A 34 -2.889 -1.825 -8.147 1.00 72.24 H new ATOM 0 HG13 ILE A 34 -2.483 -0.511 -9.233 1.00 72.24 H new ATOM 0 HG21 ILE A 34 -3.033 0.224 -5.589 1.00 13.42 H new ATOM 0 HG22 ILE A 34 -4.786 0.487 -5.741 1.00 13.42 H new ATOM 0 HG23 ILE A 34 -4.119 -1.159 -5.862 1.00 13.42 H new ATOM 0 HD11 ILE A 34 -0.547 -1.188 -7.914 1.00 20.03 H new ATOM 0 HD12 ILE A 34 -1.026 0.478 -7.513 1.00 20.03 H new ATOM 0 HD13 ILE A 34 -1.439 -0.856 -6.410 1.00 20.03 H new ATOM 538 N MET A 35 -6.614 1.366 -7.863 1.00 4.23 N ATOM 539 CA MET A 35 -7.862 1.989 -7.437 1.00 71.13 C ATOM 540 C MET A 35 -9.064 1.304 -8.113 1.00 2.14 C ATOM 541 O MET A 35 -10.029 0.927 -7.443 1.00 20.53 O ATOM 542 CB MET A 35 -7.718 3.493 -7.751 1.00 42.12 C ATOM 543 CG MET A 35 -8.950 4.358 -7.502 1.00 0.12 C ATOM 544 SD MET A 35 -9.826 4.028 -5.951 1.00 63.21 S ATOM 545 CE MET A 35 -8.664 4.732 -4.751 1.00 53.54 C ATOM 0 H MET A 35 -5.924 2.052 -8.170 1.00 4.23 H new ATOM 0 HA MET A 35 -8.054 1.872 -6.370 1.00 71.13 H new ATOM 0 HB2 MET A 35 -6.896 3.889 -7.155 1.00 42.12 H new ATOM 0 HB3 MET A 35 -7.433 3.598 -8.798 1.00 42.12 H new ATOM 0 HG2 MET A 35 -8.647 5.405 -7.513 1.00 0.12 H new ATOM 0 HG3 MET A 35 -9.645 4.218 -8.330 1.00 0.12 H new ATOM 0 HE1 MET A 35 -9.140 4.786 -3.772 1.00 53.54 H new ATOM 0 HE2 MET A 35 -7.777 4.101 -4.690 1.00 53.54 H new ATOM 0 HE3 MET A 35 -8.375 5.734 -5.069 1.00 53.54 H new ATOM 555 N ALA A 36 -8.962 1.042 -9.417 1.00 11.35 N ATOM 556 CA ALA A 36 -9.960 0.352 -10.210 1.00 75.53 C ATOM 557 C ALA A 36 -10.245 -1.059 -9.698 1.00 53.51 C ATOM 558 O ALA A 36 -11.412 -1.438 -9.659 1.00 13.33 O ATOM 559 CB ALA A 36 -9.506 0.295 -11.670 1.00 34.41 C ATOM 0 H ALA A 36 -8.147 1.319 -9.964 1.00 11.35 H new ATOM 0 HA ALA A 36 -10.889 0.916 -10.126 1.00 75.53 H new ATOM 0 HB1 ALA A 36 -10.258 -0.224 -12.265 1.00 34.41 H new ATOM 0 HB2 ALA A 36 -9.378 1.308 -12.051 1.00 34.41 H new ATOM 0 HB3 ALA A 36 -8.558 -0.240 -11.736 1.00 34.41 H new ATOM 565 N THR A 37 -9.239 -1.844 -9.285 1.00 61.30 N ATOM 566 CA THR A 37 -9.495 -3.172 -8.727 1.00 24.54 C ATOM 567 C THR A 37 -10.446 -3.080 -7.538 1.00 0.42 C ATOM 568 O THR A 37 -11.355 -3.911 -7.435 1.00 71.53 O ATOM 569 CB THR A 37 -8.191 -3.901 -8.343 1.00 40.10 C ATOM 570 OG1 THR A 37 -7.556 -4.362 -9.518 1.00 12.25 O ATOM 571 CG2 THR A 37 -8.416 -5.119 -7.435 1.00 55.23 C ATOM 0 H THR A 37 -8.254 -1.583 -9.327 1.00 61.30 H new ATOM 0 HA THR A 37 -9.972 -3.768 -9.505 1.00 24.54 H new ATOM 0 HB THR A 37 -7.585 -3.178 -7.796 1.00 40.10 H new ATOM 0 HG1 THR A 37 -7.048 -5.176 -9.318 1.00 12.25 H new ATOM 0 HG21 THR A 37 -7.457 -5.583 -7.205 1.00 55.23 H new ATOM 0 HG22 THR A 37 -8.896 -4.800 -6.510 1.00 55.23 H new ATOM 0 HG23 THR A 37 -9.055 -5.840 -7.945 1.00 55.23 H new ATOM 579 N ILE A 38 -10.256 -2.091 -6.663 1.00 44.42 N ATOM 580 CA ILE A 38 -11.110 -1.916 -5.510 1.00 3.42 C ATOM 581 C ILE A 38 -12.519 -1.627 -6.025 1.00 55.41 C ATOM 582 O ILE A 38 -13.403 -2.428 -5.741 1.00 73.14 O ATOM 583 CB ILE A 38 -10.525 -0.866 -4.534 1.00 54.05 C ATOM 584 CG1 ILE A 38 -9.332 -1.444 -3.736 1.00 43.23 C ATOM 585 CG2 ILE A 38 -11.565 -0.406 -3.488 1.00 63.35 C ATOM 586 CD1 ILE A 38 -8.041 -1.674 -4.524 1.00 50.13 C ATOM 0 H ILE A 38 -9.510 -1.400 -6.741 1.00 44.42 H new ATOM 0 HA ILE A 38 -11.166 -2.818 -4.900 1.00 3.42 H new ATOM 0 HB ILE A 38 -10.214 -0.029 -5.159 1.00 54.05 H new ATOM 0 HG12 ILE A 38 -9.113 -0.768 -2.909 1.00 43.23 H new ATOM 0 HG13 ILE A 38 -9.640 -2.394 -3.298 1.00 43.23 H new ATOM 0 HG21 ILE A 38 -11.112 0.330 -2.824 1.00 63.35 H new ATOM 0 HG22 ILE A 38 -12.419 0.041 -3.996 1.00 63.35 H new ATOM 0 HG23 ILE A 38 -11.898 -1.264 -2.905 1.00 63.35 H new ATOM 0 HD11 ILE A 38 -7.277 -2.080 -3.861 1.00 50.13 H new ATOM 0 HD12 ILE A 38 -8.230 -2.378 -5.334 1.00 50.13 H new ATOM 0 HD13 ILE A 38 -7.695 -0.728 -4.939 1.00 50.13 H new ATOM 598 N GLN A 39 -12.721 -0.591 -6.849 1.00 43.12 N ATOM 599 CA GLN A 39 -14.064 -0.185 -7.275 1.00 15.24 C ATOM 600 C GLN A 39 -14.787 -1.245 -8.118 1.00 13.42 C ATOM 601 O GLN A 39 -16.013 -1.207 -8.257 1.00 34.12 O ATOM 602 CB GLN A 39 -14.052 1.165 -8.014 1.00 74.43 C ATOM 603 CG GLN A 39 -13.374 2.323 -7.262 1.00 50.03 C ATOM 604 CD GLN A 39 -13.472 2.214 -5.771 1.00 1.12 C ATOM 605 OE1 GLN A 39 -14.574 2.114 -5.246 1.00 72.34 O ATOM 606 NE2 GLN A 39 -12.348 2.309 -5.086 1.00 71.01 N ATOM 0 H GLN A 39 -11.969 -0.019 -7.234 1.00 43.12 H new ATOM 0 HA GLN A 39 -14.631 -0.072 -6.351 1.00 15.24 H new ATOM 0 HB2 GLN A 39 -13.548 1.031 -8.971 1.00 74.43 H new ATOM 0 HB3 GLN A 39 -15.081 1.449 -8.233 1.00 74.43 H new ATOM 0 HG2 GLN A 39 -12.322 2.362 -7.546 1.00 50.03 H new ATOM 0 HG3 GLN A 39 -13.825 3.263 -7.579 1.00 50.03 H new ATOM 0 HE21 GLN A 39 -11.457 2.390 -5.576 1.00 71.01 H new ATOM 0 HE22 GLN A 39 -12.370 2.301 -4.066 1.00 71.01 H new ATOM 615 N ARG A 40 -14.046 -2.188 -8.707 1.00 52.34 N ATOM 616 CA ARG A 40 -14.516 -3.287 -9.489 1.00 5.04 C ATOM 617 C ARG A 40 -14.965 -4.435 -8.583 1.00 1.34 C ATOM 618 O ARG A 40 -15.871 -5.169 -8.968 1.00 31.33 O ATOM 619 CB ARG A 40 -13.324 -3.611 -10.396 1.00 1.21 C ATOM 620 CG ARG A 40 -13.628 -4.808 -11.256 1.00 41.05 C ATOM 621 CD ARG A 40 -12.470 -5.131 -12.210 1.00 20.25 C ATOM 622 NE ARG A 40 -12.920 -6.033 -13.269 1.00 13.45 N ATOM 623 CZ ARG A 40 -13.353 -7.284 -13.117 1.00 51.22 C ATOM 624 NH1 ARG A 40 -13.052 -7.992 -12.038 1.00 0.11 N ATOM 625 NH2 ARG A 40 -14.125 -7.801 -14.054 1.00 31.32 N ATOM 0 H ARG A 40 -13.029 -2.184 -8.631 1.00 52.34 H new ATOM 0 HA ARG A 40 -15.403 -3.077 -10.087 1.00 5.04 H new ATOM 0 HB2 ARG A 40 -13.094 -2.752 -11.026 1.00 1.21 H new ATOM 0 HB3 ARG A 40 -12.440 -3.807 -9.789 1.00 1.21 H new ATOM 0 HG2 ARG A 40 -13.828 -5.671 -10.621 1.00 41.05 H new ATOM 0 HG3 ARG A 40 -14.533 -4.621 -11.833 1.00 41.05 H new ATOM 0 HD2 ARG A 40 -12.083 -4.211 -12.647 1.00 20.25 H new ATOM 0 HD3 ARG A 40 -11.651 -5.590 -11.656 1.00 20.25 H new ATOM 0 HE ARG A 40 -12.901 -5.667 -14.221 1.00 13.45 H new ATOM 0 HH11 ARG A 40 -12.478 -7.581 -11.302 1.00 0.11 H new ATOM 0 HH12 ARG A 40 -13.395 -8.948 -11.943 1.00 0.11 H new ATOM 0 HH21 ARG A 40 -14.377 -7.245 -14.871 1.00 31.32 H new ATOM 0 HH22 ARG A 40 -14.469 -8.757 -13.961 1.00 31.32 H new ATOM 639 N LYS A 41 -14.326 -4.614 -7.419 1.00 62.03 N ATOM 640 CA LYS A 41 -14.591 -5.671 -6.450 1.00 32.01 C ATOM 641 C LYS A 41 -15.656 -5.181 -5.475 1.00 21.40 C ATOM 642 O LYS A 41 -16.769 -5.711 -5.457 1.00 14.04 O ATOM 643 CB LYS A 41 -13.261 -6.026 -5.750 1.00 72.40 C ATOM 644 CG LYS A 41 -13.264 -7.325 -4.941 1.00 25.41 C ATOM 645 CD LYS A 41 -13.984 -7.293 -3.580 1.00 22.33 C ATOM 646 CE LYS A 41 -13.359 -8.290 -2.592 1.00 0.44 C ATOM 647 NZ LYS A 41 -14.127 -9.531 -2.336 1.00 55.55 N ATOM 0 H LYS A 41 -13.575 -3.992 -7.119 1.00 62.03 H new ATOM 0 HA LYS A 41 -14.973 -6.575 -6.924 1.00 32.01 H new ATOM 0 HB2 LYS A 41 -12.480 -6.093 -6.507 1.00 72.40 H new ATOM 0 HB3 LYS A 41 -12.991 -5.206 -5.085 1.00 72.40 H new ATOM 0 HG2 LYS A 41 -13.723 -8.104 -5.550 1.00 25.41 H new ATOM 0 HG3 LYS A 41 -12.229 -7.622 -4.771 1.00 25.41 H new ATOM 0 HD2 LYS A 41 -13.935 -6.287 -3.164 1.00 22.33 H new ATOM 0 HD3 LYS A 41 -15.039 -7.529 -3.719 1.00 22.33 H new ATOM 0 HE2 LYS A 41 -12.373 -8.569 -2.965 1.00 0.44 H new ATOM 0 HE3 LYS A 41 -13.207 -7.779 -1.641 1.00 0.44 H new ATOM 0 HZ1 LYS A 41 -14.260 -9.652 -1.312 1.00 55.55 H new ATOM 0 HZ2 LYS A 41 -15.055 -9.467 -2.801 1.00 55.55 H new ATOM 0 HZ3 LYS A 41 -13.605 -10.347 -2.716 1.00 55.55 H new ATOM 661 N TYR A 42 -15.278 -4.192 -4.671 1.00 4.05 N ATOM 662 CA TYR A 42 -16.059 -3.524 -3.658 1.00 23.21 C ATOM 663 C TYR A 42 -16.837 -2.427 -4.365 1.00 63.53 C ATOM 664 O TYR A 42 -16.249 -1.565 -5.014 1.00 45.43 O ATOM 665 CB TYR A 42 -15.136 -2.902 -2.602 1.00 24.42 C ATOM 666 CG TYR A 42 -14.104 -3.827 -2.000 1.00 14.44 C ATOM 667 CD1 TYR A 42 -14.399 -4.648 -0.894 1.00 60.34 C ATOM 668 CD2 TYR A 42 -12.832 -3.865 -2.585 1.00 64.14 C ATOM 669 CE1 TYR A 42 -13.410 -5.512 -0.385 1.00 51.10 C ATOM 670 CE2 TYR A 42 -11.852 -4.732 -2.095 1.00 52.41 C ATOM 671 CZ TYR A 42 -12.128 -5.550 -0.979 1.00 53.23 C ATOM 672 OH TYR A 42 -11.191 -6.412 -0.510 1.00 43.54 O ATOM 0 H TYR A 42 -14.333 -3.811 -4.724 1.00 4.05 H new ATOM 0 HA TYR A 42 -16.724 -4.225 -3.153 1.00 23.21 H new ATOM 0 HB2 TYR A 42 -14.618 -2.056 -3.053 1.00 24.42 H new ATOM 0 HB3 TYR A 42 -15.754 -2.505 -1.796 1.00 24.42 H new ATOM 0 HD1 TYR A 42 -15.378 -4.615 -0.439 1.00 60.34 H new ATOM 0 HD2 TYR A 42 -12.607 -3.219 -3.421 1.00 64.14 H new ATOM 0 HE1 TYR A 42 -13.632 -6.146 0.460 1.00 51.10 H new ATOM 0 HE2 TYR A 42 -10.883 -4.776 -2.570 1.00 52.41 H new ATOM 0 HH TYR A 42 -10.316 -5.970 -0.500 1.00 43.54 H new ATOM 682 N LYS A 43 -18.159 -2.454 -4.263 1.00 30.41 N ATOM 683 CA LYS A 43 -19.017 -1.491 -4.947 1.00 12.10 C ATOM 684 C LYS A 43 -19.430 -0.391 -3.985 1.00 63.40 C ATOM 685 O LYS A 43 -19.261 0.786 -4.304 1.00 51.20 O ATOM 686 CB LYS A 43 -20.234 -2.229 -5.504 1.00 45.12 C ATOM 687 CG LYS A 43 -19.862 -3.217 -6.617 1.00 52.21 C ATOM 688 CD LYS A 43 -19.516 -2.587 -7.974 1.00 62.33 C ATOM 689 CE LYS A 43 -18.972 -3.706 -8.874 1.00 72.44 C ATOM 690 NZ LYS A 43 -19.218 -3.490 -10.312 1.00 12.25 N ATOM 0 H LYS A 43 -18.667 -3.141 -3.706 1.00 30.41 H new ATOM 0 HA LYS A 43 -18.480 -1.023 -5.772 1.00 12.10 H new ATOM 0 HB2 LYS A 43 -20.730 -2.767 -4.696 1.00 45.12 H new ATOM 0 HB3 LYS A 43 -20.950 -1.503 -5.891 1.00 45.12 H new ATOM 0 HG2 LYS A 43 -19.010 -3.809 -6.283 1.00 52.21 H new ATOM 0 HG3 LYS A 43 -20.693 -3.907 -6.758 1.00 52.21 H new ATOM 0 HD2 LYS A 43 -20.399 -2.130 -8.421 1.00 62.33 H new ATOM 0 HD3 LYS A 43 -18.775 -1.797 -7.853 1.00 62.33 H new ATOM 0 HE2 LYS A 43 -17.899 -3.802 -8.709 1.00 72.44 H new ATOM 0 HE3 LYS A 43 -19.426 -4.651 -8.576 1.00 72.44 H new ATOM 0 HZ1 LYS A 43 -18.823 -4.284 -10.855 1.00 12.25 H new ATOM 0 HZ2 LYS A 43 -20.242 -3.428 -10.484 1.00 12.25 H new ATOM 0 HZ3 LYS A 43 -18.762 -2.605 -10.613 1.00 12.25 H new ATOM 704 N GLY A 44 -19.926 -0.777 -2.805 1.00 31.02 N ATOM 705 CA GLY A 44 -20.475 0.090 -1.766 1.00 72.01 C ATOM 706 C GLY A 44 -19.430 0.910 -1.009 1.00 43.42 C ATOM 707 O GLY A 44 -19.608 1.189 0.177 1.00 74.42 O ATOM 0 H GLY A 44 -19.955 -1.761 -2.537 1.00 31.02 H new ATOM 0 HA2 GLY A 44 -21.194 0.772 -2.221 1.00 72.01 H new ATOM 0 HA3 GLY A 44 -21.025 -0.523 -1.052 1.00 72.01 H new ATOM 711 N ILE A 45 -18.354 1.311 -1.677 1.00 63.14 N ATOM 712 CA ILE A 45 -17.299 2.198 -1.209 1.00 35.53 C ATOM 713 C ILE A 45 -17.420 3.488 -2.027 1.00 2.33 C ATOM 714 O ILE A 45 -18.005 3.489 -3.114 1.00 52.20 O ATOM 715 CB ILE A 45 -15.925 1.482 -1.293 1.00 34.34 C ATOM 716 CG1 ILE A 45 -14.692 2.405 -1.131 1.00 33.24 C ATOM 717 CG2 ILE A 45 -15.786 0.572 -2.527 1.00 70.44 C ATOM 718 CD1 ILE A 45 -14.125 2.989 -2.430 1.00 60.43 C ATOM 0 H ILE A 45 -18.185 0.999 -2.633 1.00 63.14 H new ATOM 0 HA ILE A 45 -17.394 2.463 -0.156 1.00 35.53 H new ATOM 0 HB ILE A 45 -15.926 0.842 -0.411 1.00 34.34 H new ATOM 0 HG12 ILE A 45 -14.962 3.229 -0.471 1.00 33.24 H new ATOM 0 HG13 ILE A 45 -13.903 1.843 -0.632 1.00 33.24 H new ATOM 0 HG21 ILE A 45 -14.802 0.103 -2.524 1.00 70.44 H new ATOM 0 HG22 ILE A 45 -16.556 -0.199 -2.499 1.00 70.44 H new ATOM 0 HG23 ILE A 45 -15.901 1.167 -3.433 1.00 70.44 H new ATOM 0 HD11 ILE A 45 -13.265 3.619 -2.201 1.00 60.43 H new ATOM 0 HD12 ILE A 45 -13.815 2.178 -3.089 1.00 60.43 H new ATOM 0 HD13 ILE A 45 -14.891 3.586 -2.925 1.00 60.43 H new ATOM 730 N LYS A 46 -16.910 4.601 -1.505 1.00 75.21 N ATOM 731 CA LYS A 46 -16.815 5.875 -2.205 1.00 12.11 C ATOM 732 C LYS A 46 -15.421 6.440 -1.949 1.00 41.04 C ATOM 733 O LYS A 46 -14.840 6.177 -0.893 1.00 4.43 O ATOM 734 CB LYS A 46 -17.982 6.767 -1.746 1.00 42.13 C ATOM 735 CG LYS A 46 -18.011 8.152 -2.403 1.00 50.41 C ATOM 736 CD LYS A 46 -17.390 9.252 -1.532 1.00 44.15 C ATOM 737 CE LYS A 46 -18.354 9.618 -0.404 1.00 4.31 C ATOM 738 NZ LYS A 46 -17.777 10.639 0.483 1.00 64.40 N ATOM 0 H LYS A 46 -16.541 4.640 -0.555 1.00 75.21 H new ATOM 0 HA LYS A 46 -16.918 5.789 -3.287 1.00 12.11 H new ATOM 0 HB2 LYS A 46 -18.921 6.256 -1.960 1.00 42.13 H new ATOM 0 HB3 LYS A 46 -17.926 6.891 -0.665 1.00 42.13 H new ATOM 0 HG2 LYS A 46 -17.478 8.107 -3.353 1.00 50.41 H new ATOM 0 HG3 LYS A 46 -19.044 8.417 -2.629 1.00 50.41 H new ATOM 0 HD2 LYS A 46 -16.442 8.910 -1.117 1.00 44.15 H new ATOM 0 HD3 LYS A 46 -17.173 10.131 -2.139 1.00 44.15 H new ATOM 0 HE2 LYS A 46 -19.288 9.987 -0.827 1.00 4.31 H new ATOM 0 HE3 LYS A 46 -18.596 8.726 0.174 1.00 4.31 H new ATOM 0 HZ1 LYS A 46 -18.527 11.283 0.805 1.00 64.40 H new ATOM 0 HZ2 LYS A 46 -17.341 10.177 1.306 1.00 64.40 H new ATOM 0 HZ3 LYS A 46 -17.054 11.180 -0.034 1.00 64.40 H new ATOM 752 N ILE A 47 -14.861 7.181 -2.903 1.00 75.21 N ATOM 753 CA ILE A 47 -13.507 7.701 -2.803 1.00 61.42 C ATOM 754 C ILE A 47 -13.596 9.029 -2.051 1.00 34.44 C ATOM 755 O ILE A 47 -14.384 9.897 -2.431 1.00 33.01 O ATOM 756 CB ILE A 47 -12.876 7.886 -4.207 1.00 50.10 C ATOM 757 CG1 ILE A 47 -13.197 6.793 -5.250 1.00 1.52 C ATOM 758 CG2 ILE A 47 -11.356 8.037 -4.073 1.00 62.42 C ATOM 759 CD1 ILE A 47 -12.889 5.369 -4.818 1.00 43.43 C ATOM 0 H ILE A 47 -15.338 7.436 -3.768 1.00 75.21 H new ATOM 0 HA ILE A 47 -12.862 7.003 -2.269 1.00 61.42 H new ATOM 0 HB ILE A 47 -13.343 8.789 -4.601 1.00 50.10 H new ATOM 0 HG12 ILE A 47 -14.255 6.857 -5.504 1.00 1.52 H new ATOM 0 HG13 ILE A 47 -12.637 7.008 -6.160 1.00 1.52 H new ATOM 0 HG21 ILE A 47 -10.915 8.167 -5.061 1.00 62.42 H new ATOM 0 HG22 ILE A 47 -11.130 8.908 -3.457 1.00 62.42 H new ATOM 0 HG23 ILE A 47 -10.942 7.144 -3.605 1.00 62.42 H new ATOM 0 HD11 ILE A 47 -13.151 4.680 -5.621 1.00 43.43 H new ATOM 0 HD12 ILE A 47 -11.826 5.279 -4.594 1.00 43.43 H new ATOM 0 HD13 ILE A 47 -13.469 5.125 -3.928 1.00 43.43 H new ATOM 771 N GLN A 48 -12.810 9.192 -0.993 1.00 40.20 N ATOM 772 CA GLN A 48 -12.572 10.459 -0.312 1.00 21.23 C ATOM 773 C GLN A 48 -11.186 10.389 0.314 1.00 11.30 C ATOM 774 O GLN A 48 -10.637 9.295 0.423 1.00 25.22 O ATOM 775 CB GLN A 48 -13.675 10.728 0.726 1.00 34.04 C ATOM 776 CG GLN A 48 -13.699 9.764 1.927 1.00 2.43 C ATOM 777 CD GLN A 48 -14.926 10.022 2.800 1.00 31.11 C ATOM 778 OE1 GLN A 48 -16.046 9.748 2.387 1.00 34.21 O ATOM 779 NE2 GLN A 48 -14.781 10.594 3.982 1.00 31.13 N ATOM 0 H GLN A 48 -12.302 8.415 -0.570 1.00 40.20 H new ATOM 0 HA GLN A 48 -12.606 11.295 -1.011 1.00 21.23 H new ATOM 0 HB2 GLN A 48 -13.558 11.745 1.100 1.00 34.04 H new ATOM 0 HB3 GLN A 48 -14.642 10.682 0.225 1.00 34.04 H new ATOM 0 HG2 GLN A 48 -13.709 8.733 1.573 1.00 2.43 H new ATOM 0 HG3 GLN A 48 -12.792 9.889 2.519 1.00 2.43 H new ATOM 0 HE21 GLN A 48 -13.849 10.823 4.327 1.00 31.13 H new ATOM 0 HE22 GLN A 48 -15.601 10.807 4.550 1.00 31.13 H new ATOM 788 N GLU A 49 -10.612 11.520 0.717 1.00 1.14 N ATOM 789 CA GLU A 49 -9.330 11.520 1.410 1.00 63.24 C ATOM 790 C GLU A 49 -9.594 11.175 2.876 1.00 21.02 C ATOM 791 O GLU A 49 -10.209 11.953 3.616 1.00 24.22 O ATOM 792 CB GLU A 49 -8.640 12.880 1.268 1.00 44.04 C ATOM 793 CG GLU A 49 -8.089 13.130 -0.149 1.00 31.43 C ATOM 794 CD GLU A 49 -8.383 14.556 -0.613 1.00 71.11 C ATOM 795 OE1 GLU A 49 -7.994 15.513 0.094 1.00 43.21 O ATOM 796 OE2 GLU A 49 -9.115 14.726 -1.617 1.00 71.12 O ATOM 0 H GLU A 49 -11.015 12.446 0.575 1.00 1.14 H new ATOM 0 HA GLU A 49 -8.658 10.781 0.974 1.00 63.24 H new ATOM 0 HB2 GLU A 49 -9.348 13.669 1.521 1.00 44.04 H new ATOM 0 HB3 GLU A 49 -7.823 12.943 1.986 1.00 44.04 H new ATOM 0 HG2 GLU A 49 -7.013 12.956 -0.160 1.00 31.43 H new ATOM 0 HG3 GLU A 49 -8.534 12.419 -0.846 1.00 31.43 H new ATOM 803 N GLY A 50 -9.177 9.991 3.306 1.00 42.11 N ATOM 804 CA GLY A 50 -9.402 9.499 4.651 1.00 2.30 C ATOM 805 C GLY A 50 -9.270 7.986 4.689 1.00 42.22 C ATOM 806 O GLY A 50 -8.946 7.337 3.691 1.00 41.21 O ATOM 0 H GLY A 50 -8.664 9.337 2.715 1.00 42.11 H new ATOM 0 HA2 GLY A 50 -8.684 9.951 5.335 1.00 2.30 H new ATOM 0 HA3 GLY A 50 -10.395 9.793 4.991 1.00 2.30 H new ATOM 810 N ILE A 51 -9.492 7.415 5.867 1.00 65.21 N ATOM 811 CA ILE A 51 -9.769 5.992 5.995 1.00 44.34 C ATOM 812 C ILE A 51 -11.164 5.764 5.403 1.00 52.44 C ATOM 813 O ILE A 51 -12.006 6.669 5.444 1.00 22.31 O ATOM 814 CB ILE A 51 -9.674 5.592 7.489 1.00 43.04 C ATOM 815 CG1 ILE A 51 -8.278 5.888 8.093 1.00 1.32 C ATOM 816 CG2 ILE A 51 -10.051 4.121 7.717 1.00 41.23 C ATOM 817 CD1 ILE A 51 -7.163 4.948 7.629 1.00 43.54 C ATOM 0 H ILE A 51 -9.485 7.921 6.752 1.00 65.21 H new ATOM 0 HA ILE A 51 -9.051 5.370 5.461 1.00 44.34 H new ATOM 0 HB ILE A 51 -10.401 6.215 8.010 1.00 43.04 H new ATOM 0 HG12 ILE A 51 -7.999 6.911 7.841 1.00 1.32 H new ATOM 0 HG13 ILE A 51 -8.350 5.835 9.179 1.00 1.32 H new ATOM 0 HG21 ILE A 51 -9.970 3.885 8.778 1.00 41.23 H new ATOM 0 HG22 ILE A 51 -11.075 3.952 7.385 1.00 41.23 H new ATOM 0 HG23 ILE A 51 -9.375 3.480 7.150 1.00 41.23 H new ATOM 0 HD11 ILE A 51 -6.225 5.234 8.105 1.00 43.54 H new ATOM 0 HD12 ILE A 51 -7.413 3.923 7.905 1.00 43.54 H new ATOM 0 HD13 ILE A 51 -7.056 5.016 6.546 1.00 43.54 H new ATOM 829 N VAL A 52 -11.440 4.553 4.925 1.00 21.23 N ATOM 830 CA VAL A 52 -12.806 4.077 4.788 1.00 75.12 C ATOM 831 C VAL A 52 -12.898 2.724 5.497 1.00 30.12 C ATOM 832 O VAL A 52 -11.918 1.974 5.594 1.00 62.22 O ATOM 833 CB VAL A 52 -13.258 4.048 3.307 1.00 60.42 C ATOM 834 CG1 VAL A 52 -13.113 5.411 2.608 1.00 24.25 C ATOM 835 CG2 VAL A 52 -12.538 2.989 2.471 1.00 54.21 C ATOM 0 H VAL A 52 -10.730 3.884 4.626 1.00 21.23 H new ATOM 0 HA VAL A 52 -13.507 4.763 5.263 1.00 75.12 H new ATOM 0 HB VAL A 52 -14.315 3.786 3.362 1.00 60.42 H new ATOM 0 HG11 VAL A 52 -13.445 5.327 1.573 1.00 24.25 H new ATOM 0 HG12 VAL A 52 -13.722 6.152 3.126 1.00 24.25 H new ATOM 0 HG13 VAL A 52 -12.068 5.721 2.629 1.00 24.25 H new ATOM 0 HG21 VAL A 52 -12.904 3.025 1.445 1.00 54.21 H new ATOM 0 HG22 VAL A 52 -11.466 3.185 2.481 1.00 54.21 H new ATOM 0 HG23 VAL A 52 -12.731 2.002 2.890 1.00 54.21 H new ATOM 845 N ASP A 53 -14.091 2.399 5.979 1.00 73.31 N ATOM 846 CA ASP A 53 -14.481 1.062 6.397 1.00 64.03 C ATOM 847 C ASP A 53 -15.449 0.539 5.341 1.00 10.02 C ATOM 848 O ASP A 53 -16.610 0.949 5.339 1.00 44.12 O ATOM 849 CB ASP A 53 -15.145 1.095 7.778 1.00 2.43 C ATOM 850 CG ASP A 53 -15.925 -0.207 7.990 1.00 73.42 C ATOM 851 OD1 ASP A 53 -15.274 -1.283 7.948 1.00 13.13 O ATOM 852 OD2 ASP A 53 -17.180 -0.144 8.073 1.00 23.12 O ATOM 0 H ASP A 53 -14.838 3.084 6.093 1.00 73.31 H new ATOM 0 HA ASP A 53 -13.611 0.411 6.483 1.00 64.03 H new ATOM 0 HB2 ASP A 53 -14.390 1.212 8.556 1.00 2.43 H new ATOM 0 HB3 ASP A 53 -15.815 1.951 7.853 1.00 2.43 H new ATOM 857 N TYR A 54 -14.993 -0.321 4.427 1.00 22.55 N ATOM 858 CA TYR A 54 -15.899 -1.142 3.633 1.00 51.32 C ATOM 859 C TYR A 54 -15.165 -2.385 3.142 1.00 62.14 C ATOM 860 O TYR A 54 -14.317 -2.302 2.248 1.00 44.11 O ATOM 861 CB TYR A 54 -16.514 -0.360 2.462 1.00 70.32 C ATOM 862 CG TYR A 54 -17.533 -1.179 1.693 1.00 32.11 C ATOM 863 CD1 TYR A 54 -18.781 -1.487 2.266 1.00 4.42 C ATOM 864 CD2 TYR A 54 -17.225 -1.660 0.412 1.00 55.52 C ATOM 865 CE1 TYR A 54 -19.715 -2.267 1.563 1.00 2.34 C ATOM 866 CE2 TYR A 54 -18.152 -2.439 -0.299 1.00 30.15 C ATOM 867 CZ TYR A 54 -19.402 -2.753 0.275 1.00 54.12 C ATOM 868 OH TYR A 54 -20.288 -3.539 -0.396 1.00 70.30 O ATOM 0 H TYR A 54 -14.004 -0.464 4.222 1.00 22.55 H new ATOM 0 HA TYR A 54 -16.729 -1.446 4.271 1.00 51.32 H new ATOM 0 HB2 TYR A 54 -16.990 0.544 2.842 1.00 70.32 H new ATOM 0 HB3 TYR A 54 -15.721 -0.042 1.785 1.00 70.32 H new ATOM 0 HD1 TYR A 54 -19.023 -1.121 3.253 1.00 4.42 H new ATOM 0 HD2 TYR A 54 -16.267 -1.429 -0.031 1.00 55.52 H new ATOM 0 HE1 TYR A 54 -20.672 -2.495 2.008 1.00 2.34 H new ATOM 0 HE2 TYR A 54 -17.908 -2.799 -1.288 1.00 30.15 H new ATOM 0 HH TYR A 54 -19.913 -3.784 -1.268 1.00 70.30 H new ATOM 878 N GLY A 55 -15.477 -3.539 3.731 1.00 42.04 N ATOM 879 CA GLY A 55 -14.973 -4.843 3.317 1.00 5.50 C ATOM 880 C GLY A 55 -13.587 -5.109 3.886 1.00 30.42 C ATOM 881 O GLY A 55 -13.402 -6.066 4.638 1.00 62.14 O ATOM 0 H GLY A 55 -16.106 -3.591 4.532 1.00 42.04 H new ATOM 0 HA2 GLY A 55 -15.660 -5.622 3.648 1.00 5.50 H new ATOM 0 HA3 GLY A 55 -14.937 -4.892 2.229 1.00 5.50 H new ATOM 885 N VAL A 56 -12.633 -4.245 3.556 1.00 73.12 N ATOM 886 CA VAL A 56 -11.300 -4.187 4.137 1.00 54.32 C ATOM 887 C VAL A 56 -11.116 -2.749 4.625 1.00 52.20 C ATOM 888 O VAL A 56 -11.867 -1.833 4.250 1.00 62.14 O ATOM 889 CB VAL A 56 -10.263 -4.680 3.097 1.00 63.01 C ATOM 890 CG1 VAL A 56 -8.783 -4.528 3.480 1.00 44.13 C ATOM 891 CG2 VAL A 56 -10.533 -6.153 2.775 1.00 21.32 C ATOM 0 H VAL A 56 -12.777 -3.532 2.841 1.00 73.12 H new ATOM 0 HA VAL A 56 -11.156 -4.849 4.991 1.00 54.32 H new ATOM 0 HB VAL A 56 -10.405 -4.023 2.239 1.00 63.01 H new ATOM 0 HG11 VAL A 56 -8.157 -4.908 2.672 1.00 44.13 H new ATOM 0 HG12 VAL A 56 -8.557 -3.475 3.649 1.00 44.13 H new ATOM 0 HG13 VAL A 56 -8.583 -5.093 4.390 1.00 44.13 H new ATOM 0 HG21 VAL A 56 -9.806 -6.505 2.043 1.00 21.32 H new ATOM 0 HG22 VAL A 56 -10.448 -6.746 3.686 1.00 21.32 H new ATOM 0 HG23 VAL A 56 -11.538 -6.258 2.367 1.00 21.32 H new ATOM 901 N ARG A 57 -10.165 -2.546 5.530 1.00 33.33 N ATOM 902 CA ARG A 57 -9.805 -1.229 6.028 1.00 62.52 C ATOM 903 C ARG A 57 -8.885 -0.604 4.980 1.00 13.52 C ATOM 904 O ARG A 57 -7.738 -1.033 4.843 1.00 25.44 O ATOM 905 CB ARG A 57 -9.130 -1.384 7.401 1.00 42.33 C ATOM 906 CG ARG A 57 -10.052 -2.023 8.455 1.00 73.22 C ATOM 907 CD ARG A 57 -9.243 -2.330 9.714 1.00 33.33 C ATOM 908 NE ARG A 57 -10.093 -2.706 10.859 1.00 3.13 N ATOM 909 CZ ARG A 57 -9.601 -3.075 12.052 1.00 75.41 C ATOM 910 NH1 ARG A 57 -8.333 -3.445 12.175 1.00 23.45 N ATOM 911 NH2 ARG A 57 -10.368 -3.085 13.128 1.00 1.53 N ATOM 0 H ARG A 57 -9.618 -3.302 5.942 1.00 33.33 H new ATOM 0 HA ARG A 57 -10.667 -0.579 6.175 1.00 62.52 H new ATOM 0 HB2 ARG A 57 -8.234 -1.994 7.292 1.00 42.33 H new ATOM 0 HB3 ARG A 57 -8.808 -0.404 7.754 1.00 42.33 H new ATOM 0 HG2 ARG A 57 -10.874 -1.348 8.693 1.00 73.22 H new ATOM 0 HG3 ARG A 57 -10.494 -2.938 8.061 1.00 73.22 H new ATOM 0 HD2 ARG A 57 -8.545 -3.140 9.504 1.00 33.33 H new ATOM 0 HD3 ARG A 57 -8.647 -1.457 9.980 1.00 33.33 H new ATOM 0 HE ARG A 57 -11.106 -2.685 10.738 1.00 3.13 H new ATOM 0 HH11 ARG A 57 -7.722 -3.451 11.358 1.00 23.45 H new ATOM 0 HH12 ARG A 57 -7.969 -3.724 13.086 1.00 23.45 H new ATOM 0 HH21 ARG A 57 -11.348 -2.810 13.058 1.00 1.53 H new ATOM 0 HH22 ARG A 57 -9.980 -3.368 14.028 1.00 1.53 H new ATOM 925 N PHE A 58 -9.377 0.351 4.191 1.00 1.43 N ATOM 926 CA PHE A 58 -8.552 1.035 3.196 1.00 22.32 C ATOM 927 C PHE A 58 -8.193 2.420 3.717 1.00 20.33 C ATOM 928 O PHE A 58 -8.908 2.979 4.549 1.00 1.43 O ATOM 929 CB PHE A 58 -9.263 1.123 1.839 1.00 24.41 C ATOM 930 CG PHE A 58 -9.574 -0.209 1.188 1.00 12.52 C ATOM 931 CD1 PHE A 58 -8.606 -0.830 0.382 1.00 12.32 C ATOM 932 CD2 PHE A 58 -10.823 -0.829 1.378 1.00 74.13 C ATOM 933 CE1 PHE A 58 -8.878 -2.057 -0.239 1.00 71.12 C ATOM 934 CE2 PHE A 58 -11.087 -2.071 0.773 1.00 3.04 C ATOM 935 CZ PHE A 58 -10.111 -2.683 -0.027 1.00 43.01 C ATOM 0 H PHE A 58 -10.346 0.669 4.222 1.00 1.43 H new ATOM 0 HA PHE A 58 -7.640 0.460 3.037 1.00 22.32 H new ATOM 0 HB2 PHE A 58 -10.195 1.672 1.970 1.00 24.41 H new ATOM 0 HB3 PHE A 58 -8.643 1.706 1.159 1.00 24.41 H new ATOM 0 HD1 PHE A 58 -7.645 -0.359 0.240 1.00 12.32 H new ATOM 0 HD2 PHE A 58 -11.577 -0.352 1.987 1.00 74.13 H new ATOM 0 HE1 PHE A 58 -8.139 -2.517 -0.878 1.00 71.12 H new ATOM 0 HE2 PHE A 58 -12.041 -2.553 0.924 1.00 3.04 H new ATOM 0 HZ PHE A 58 -10.312 -3.642 -0.481 1.00 43.01 H new ATOM 945 N PHE A 59 -7.118 2.998 3.183 1.00 51.50 N ATOM 946 CA PHE A 59 -6.724 4.378 3.432 1.00 3.04 C ATOM 947 C PHE A 59 -6.463 5.020 2.081 1.00 60.22 C ATOM 948 O PHE A 59 -5.721 4.448 1.275 1.00 61.42 O ATOM 949 CB PHE A 59 -5.483 4.426 4.337 1.00 40.44 C ATOM 950 CG PHE A 59 -4.958 5.819 4.652 1.00 64.53 C ATOM 951 CD1 PHE A 59 -5.841 6.860 4.997 1.00 25.05 C ATOM 952 CD2 PHE A 59 -3.576 6.083 4.583 1.00 12.45 C ATOM 953 CE1 PHE A 59 -5.362 8.167 5.183 1.00 61.13 C ATOM 954 CE2 PHE A 59 -3.091 7.384 4.809 1.00 15.21 C ATOM 955 CZ PHE A 59 -3.988 8.433 5.078 1.00 4.23 C ATOM 0 H PHE A 59 -6.485 2.507 2.552 1.00 51.50 H new ATOM 0 HA PHE A 59 -7.509 4.924 3.954 1.00 3.04 H new ATOM 0 HB2 PHE A 59 -5.719 3.924 5.275 1.00 40.44 H new ATOM 0 HB3 PHE A 59 -4.686 3.855 3.862 1.00 40.44 H new ATOM 0 HD1 PHE A 59 -6.894 6.652 5.119 1.00 25.05 H new ATOM 0 HD2 PHE A 59 -2.886 5.284 4.356 1.00 12.45 H new ATOM 0 HE1 PHE A 59 -6.051 8.968 5.407 1.00 61.13 H new ATOM 0 HE2 PHE A 59 -2.029 7.577 4.776 1.00 15.21 H new ATOM 0 HZ PHE A 59 -3.621 9.441 5.203 1.00 4.23 H new ATOM 965 N PHE A 60 -7.082 6.174 1.848 1.00 74.34 N ATOM 966 CA PHE A 60 -7.110 6.873 0.581 1.00 64.15 C ATOM 967 C PHE A 60 -6.581 8.286 0.763 1.00 12.13 C ATOM 968 O PHE A 60 -6.872 8.952 1.758 1.00 31.33 O ATOM 969 CB PHE A 60 -8.551 6.930 0.062 1.00 4.12 C ATOM 970 CG PHE A 60 -9.214 5.613 -0.290 1.00 44.43 C ATOM 971 CD1 PHE A 60 -8.491 4.565 -0.891 1.00 51.55 C ATOM 972 CD2 PHE A 60 -10.588 5.458 -0.041 1.00 71.35 C ATOM 973 CE1 PHE A 60 -9.141 3.361 -1.221 1.00 13.24 C ATOM 974 CE2 PHE A 60 -11.238 4.257 -0.367 1.00 12.54 C ATOM 975 CZ PHE A 60 -10.514 3.204 -0.952 1.00 4.24 C ATOM 0 H PHE A 60 -7.600 6.665 2.577 1.00 74.34 H new ATOM 0 HA PHE A 60 -6.484 6.344 -0.137 1.00 64.15 H new ATOM 0 HB2 PHE A 60 -9.162 7.425 0.817 1.00 4.12 H new ATOM 0 HB3 PHE A 60 -8.566 7.563 -0.825 1.00 4.12 H new ATOM 0 HD1 PHE A 60 -7.438 4.685 -1.099 1.00 51.55 H new ATOM 0 HD2 PHE A 60 -11.148 6.268 0.404 1.00 71.35 H new ATOM 0 HE1 PHE A 60 -8.586 2.557 -1.681 1.00 13.24 H new ATOM 0 HE2 PHE A 60 -12.293 4.142 -0.168 1.00 12.54 H new ATOM 0 HZ PHE A 60 -11.010 2.276 -1.195 1.00 4.24 H new ATOM 985 N TYR A 61 -5.796 8.741 -0.207 1.00 23.52 N ATOM 986 CA TYR A 61 -5.062 10.002 -0.130 1.00 51.31 C ATOM 987 C TYR A 61 -4.658 10.465 -1.529 1.00 55.22 C ATOM 988 O TYR A 61 -4.307 9.651 -2.382 1.00 3.53 O ATOM 989 CB TYR A 61 -3.822 9.834 0.771 1.00 51.42 C ATOM 990 CG TYR A 61 -3.036 8.551 0.551 1.00 54.35 C ATOM 991 CD1 TYR A 61 -2.019 8.497 -0.419 1.00 52.32 C ATOM 992 CD2 TYR A 61 -3.364 7.394 1.285 1.00 42.25 C ATOM 993 CE1 TYR A 61 -1.333 7.294 -0.655 1.00 30.52 C ATOM 994 CE2 TYR A 61 -2.712 6.177 1.025 1.00 11.04 C ATOM 995 CZ TYR A 61 -1.695 6.122 0.047 1.00 4.11 C ATOM 996 OH TYR A 61 -1.072 4.946 -0.237 1.00 64.05 O ATOM 0 H TYR A 61 -5.648 8.238 -1.082 1.00 23.52 H new ATOM 0 HA TYR A 61 -5.707 10.764 0.307 1.00 51.31 H new ATOM 0 HB2 TYR A 61 -3.157 10.682 0.609 1.00 51.42 H new ATOM 0 HB3 TYR A 61 -4.141 9.873 1.813 1.00 51.42 H new ATOM 0 HD1 TYR A 61 -1.765 9.382 -0.983 1.00 52.32 H new ATOM 0 HD2 TYR A 61 -4.122 7.443 2.053 1.00 42.25 H new ATOM 0 HE1 TYR A 61 -0.528 7.265 -1.374 1.00 30.52 H new ATOM 0 HE2 TYR A 61 -2.988 5.287 1.571 1.00 11.04 H new ATOM 0 HH TYR A 61 -0.761 4.531 0.595 1.00 64.05 H new ATOM 1006 N THR A 62 -4.723 11.772 -1.764 1.00 22.52 N ATOM 1007 CA THR A 62 -4.350 12.455 -2.996 1.00 55.22 C ATOM 1008 C THR A 62 -2.830 12.445 -3.210 1.00 60.30 C ATOM 1009 O THR A 62 -2.079 12.527 -2.235 1.00 42.11 O ATOM 1010 CB THR A 62 -4.900 13.895 -2.892 1.00 33.45 C ATOM 1011 OG1 THR A 62 -4.973 14.365 -1.546 1.00 44.01 O ATOM 1012 CG2 THR A 62 -6.320 13.928 -3.459 1.00 74.53 C ATOM 0 H THR A 62 -5.059 12.422 -1.054 1.00 22.52 H new ATOM 0 HA THR A 62 -4.773 11.944 -3.861 1.00 55.22 H new ATOM 0 HB THR A 62 -4.214 14.534 -3.447 1.00 33.45 H new ATOM 0 HG1 THR A 62 -5.325 15.280 -1.537 1.00 44.01 H new ATOM 0 HG21 THR A 62 -6.716 14.941 -3.389 1.00 74.53 H new ATOM 0 HG22 THR A 62 -6.302 13.616 -4.503 1.00 74.53 H new ATOM 0 HG23 THR A 62 -6.955 13.250 -2.889 1.00 74.53 H new ATOM 1020 N SER A 63 -2.367 12.433 -4.469 1.00 21.20 N ATOM 1021 CA SER A 63 -0.944 12.531 -4.796 1.00 71.15 C ATOM 1022 C SER A 63 -0.347 13.880 -4.409 1.00 42.45 C ATOM 1023 O SER A 63 0.872 13.991 -4.288 1.00 70.24 O ATOM 1024 CB SER A 63 -0.700 12.268 -6.290 1.00 4.25 C ATOM 1025 OG SER A 63 -1.794 12.586 -7.127 1.00 24.21 O ATOM 0 H SER A 63 -2.972 12.355 -5.286 1.00 21.20 H new ATOM 0 HA SER A 63 -0.442 11.763 -4.208 1.00 71.15 H new ATOM 0 HB2 SER A 63 0.167 12.846 -6.611 1.00 4.25 H new ATOM 0 HB3 SER A 63 -0.449 11.216 -6.425 1.00 4.25 H new ATOM 0 HG SER A 63 -1.650 12.198 -8.015 1.00 24.21 H new ATOM 1031 N LYS A 64 -1.190 14.894 -4.201 1.00 43.33 N ATOM 1032 CA LYS A 64 -0.810 16.196 -3.704 1.00 2.02 C ATOM 1033 C LYS A 64 -0.099 16.094 -2.358 1.00 31.35 C ATOM 1034 O LYS A 64 0.822 16.871 -2.121 1.00 4.31 O ATOM 1035 CB LYS A 64 -2.102 17.003 -3.622 1.00 13.12 C ATOM 1036 CG LYS A 64 -1.890 18.446 -3.151 1.00 55.54 C ATOM 1037 CD LYS A 64 -2.893 18.788 -2.062 1.00 53.10 C ATOM 1038 CE LYS A 64 -4.309 18.902 -2.641 1.00 3.23 C ATOM 1039 NZ LYS A 64 -5.289 19.338 -1.630 1.00 73.30 N ATOM 0 H LYS A 64 -2.190 14.817 -4.384 1.00 43.33 H new ATOM 0 HA LYS A 64 -0.093 16.685 -4.363 1.00 2.02 H new ATOM 0 HB2 LYS A 64 -2.577 17.015 -4.603 1.00 13.12 H new ATOM 0 HB3 LYS A 64 -2.791 16.504 -2.940 1.00 13.12 H new ATOM 0 HG2 LYS A 64 -0.875 18.569 -2.774 1.00 55.54 H new ATOM 0 HG3 LYS A 64 -2.004 19.132 -3.990 1.00 55.54 H new ATOM 0 HD2 LYS A 64 -2.872 18.020 -1.288 1.00 53.10 H new ATOM 0 HD3 LYS A 64 -2.613 19.728 -1.586 1.00 53.10 H new ATOM 0 HE2 LYS A 64 -4.305 19.610 -3.470 1.00 3.23 H new ATOM 0 HE3 LYS A 64 -4.613 17.937 -3.047 1.00 3.23 H new ATOM 0 HZ1 LYS A 64 -6.232 19.401 -2.065 1.00 73.30 H new ATOM 0 HZ2 LYS A 64 -5.313 18.650 -0.850 1.00 73.30 H new ATOM 0 HZ3 LYS A 64 -5.015 20.271 -1.260 1.00 73.30 H new ATOM 1053 N GLU A 65 -0.534 15.202 -1.461 1.00 45.24 N ATOM 1054 CA GLU A 65 0.114 15.134 -0.159 1.00 73.13 C ATOM 1055 C GLU A 65 1.524 14.551 -0.332 1.00 62.21 C ATOM 1056 O GLU A 65 1.708 13.628 -1.136 1.00 11.22 O ATOM 1057 CB GLU A 65 -0.702 14.295 0.843 1.00 71.23 C ATOM 1058 CG GLU A 65 -1.257 15.152 1.989 1.00 10.03 C ATOM 1059 CD GLU A 65 -2.546 15.900 1.637 1.00 15.30 C ATOM 1060 OE1 GLU A 65 -3.546 15.253 1.244 1.00 61.33 O ATOM 1061 OE2 GLU A 65 -2.598 17.134 1.857 1.00 12.55 O ATOM 0 H GLU A 65 -1.300 14.545 -1.607 1.00 45.24 H new ATOM 0 HA GLU A 65 0.179 16.142 0.251 1.00 73.13 H new ATOM 0 HB2 GLU A 65 -1.526 13.808 0.322 1.00 71.23 H new ATOM 0 HB3 GLU A 65 -0.072 13.505 1.252 1.00 71.23 H new ATOM 0 HG2 GLU A 65 -1.444 14.511 2.851 1.00 10.03 H new ATOM 0 HG3 GLU A 65 -0.499 15.876 2.288 1.00 10.03 H new ATOM 1068 N PRO A 66 2.505 15.022 0.458 1.00 43.32 N ATOM 1069 CA PRO A 66 3.847 14.481 0.406 1.00 30.24 C ATOM 1070 C PRO A 66 3.838 13.071 0.981 1.00 53.21 C ATOM 1071 O PRO A 66 3.170 12.799 1.987 1.00 62.31 O ATOM 1072 CB PRO A 66 4.719 15.438 1.221 1.00 15.53 C ATOM 1073 CG PRO A 66 3.758 16.184 2.142 1.00 33.22 C ATOM 1074 CD PRO A 66 2.375 16.015 1.515 1.00 33.11 C ATOM 0 HA PRO A 66 4.236 14.402 -0.609 1.00 30.24 H new ATOM 0 HB2 PRO A 66 5.469 14.893 1.795 1.00 15.53 H new ATOM 0 HB3 PRO A 66 5.256 16.129 0.571 1.00 15.53 H new ATOM 0 HG2 PRO A 66 3.784 15.773 3.151 1.00 33.22 H new ATOM 0 HG3 PRO A 66 4.027 17.237 2.220 1.00 33.22 H new ATOM 0 HD2 PRO A 66 1.650 15.691 2.262 1.00 33.11 H new ATOM 0 HD3 PRO A 66 2.016 16.962 1.112 1.00 33.11 H new ATOM 1082 N VAL A 67 4.637 12.188 0.381 1.00 53.50 N ATOM 1083 CA VAL A 67 4.666 10.775 0.745 1.00 42.53 C ATOM 1084 C VAL A 67 5.077 10.656 2.221 1.00 11.21 C ATOM 1085 O VAL A 67 4.547 9.807 2.931 1.00 75.35 O ATOM 1086 CB VAL A 67 5.574 9.958 -0.209 1.00 64.21 C ATOM 1087 CG1 VAL A 67 5.143 8.481 -0.262 1.00 75.54 C ATOM 1088 CG2 VAL A 67 5.583 10.494 -1.651 1.00 74.00 C ATOM 0 H VAL A 67 5.281 12.434 -0.370 1.00 53.50 H new ATOM 0 HA VAL A 67 3.672 10.342 0.631 1.00 42.53 H new ATOM 0 HB VAL A 67 6.577 10.056 0.206 1.00 64.21 H new ATOM 0 HG11 VAL A 67 5.799 7.935 -0.939 1.00 75.54 H new ATOM 0 HG12 VAL A 67 5.209 8.047 0.736 1.00 75.54 H new ATOM 0 HG13 VAL A 67 4.116 8.414 -0.620 1.00 75.54 H new ATOM 0 HG21 VAL A 67 6.238 9.876 -2.265 1.00 74.00 H new ATOM 0 HG22 VAL A 67 4.572 10.464 -2.057 1.00 74.00 H new ATOM 0 HG23 VAL A 67 5.945 11.522 -1.655 1.00 74.00 H new ATOM 1098 N ALA A 68 5.927 11.565 2.721 1.00 62.10 N ATOM 1099 CA ALA A 68 6.292 11.635 4.129 1.00 2.22 C ATOM 1100 C ALA A 68 5.066 11.826 5.033 1.00 25.32 C ATOM 1101 O ALA A 68 4.956 11.120 6.040 1.00 14.31 O ATOM 1102 CB ALA A 68 7.308 12.760 4.352 1.00 61.12 C ATOM 0 H ALA A 68 6.381 12.276 2.147 1.00 62.10 H new ATOM 0 HA ALA A 68 6.746 10.682 4.402 1.00 2.22 H new ATOM 0 HB1 ALA A 68 7.575 12.805 5.408 1.00 61.12 H new ATOM 0 HB2 ALA A 68 8.202 12.566 3.759 1.00 61.12 H new ATOM 0 HB3 ALA A 68 6.871 13.711 4.048 1.00 61.12 H new ATOM 1108 N SER A 69 4.153 12.752 4.712 1.00 11.31 N ATOM 1109 CA SER A 69 2.945 12.994 5.506 1.00 34.01 C ATOM 1110 C SER A 69 2.087 11.731 5.532 1.00 23.53 C ATOM 1111 O SER A 69 1.658 11.293 6.603 1.00 73.12 O ATOM 1112 CB SER A 69 2.155 14.185 4.945 1.00 53.20 C ATOM 1113 OG SER A 69 1.055 14.515 5.770 1.00 40.14 O ATOM 0 H SER A 69 4.233 13.354 3.893 1.00 11.31 H new ATOM 0 HA SER A 69 3.234 13.242 6.527 1.00 34.01 H new ATOM 0 HB2 SER A 69 2.814 15.049 4.853 1.00 53.20 H new ATOM 0 HB3 SER A 69 1.800 13.947 3.942 1.00 53.20 H new ATOM 0 HG SER A 69 0.575 15.278 5.385 1.00 40.14 H new ATOM 1119 N ILE A 70 1.884 11.112 4.366 1.00 41.10 N ATOM 1120 CA ILE A 70 1.122 9.878 4.224 1.00 42.35 C ATOM 1121 C ILE A 70 1.747 8.813 5.132 1.00 64.52 C ATOM 1122 O ILE A 70 1.052 8.262 5.980 1.00 22.33 O ATOM 1123 CB ILE A 70 1.049 9.490 2.725 1.00 33.23 C ATOM 1124 CG1 ILE A 70 0.162 10.504 1.961 1.00 65.25 C ATOM 1125 CG2 ILE A 70 0.509 8.063 2.510 1.00 61.14 C ATOM 1126 CD1 ILE A 70 0.521 10.621 0.475 1.00 30.34 C ATOM 0 H ILE A 70 2.252 11.464 3.482 1.00 41.10 H new ATOM 0 HA ILE A 70 0.088 9.993 4.548 1.00 42.35 H new ATOM 0 HB ILE A 70 2.067 9.515 2.337 1.00 33.23 H new ATOM 0 HG12 ILE A 70 -0.882 10.205 2.053 1.00 65.25 H new ATOM 0 HG13 ILE A 70 0.256 11.484 2.429 1.00 65.25 H new ATOM 0 HG21 ILE A 70 0.478 7.842 1.443 1.00 61.14 H new ATOM 0 HG22 ILE A 70 1.162 7.348 3.010 1.00 61.14 H new ATOM 0 HG23 ILE A 70 -0.496 7.988 2.925 1.00 61.14 H new ATOM 0 HD11 ILE A 70 -0.137 11.347 -0.002 1.00 30.34 H new ATOM 0 HD12 ILE A 70 1.556 10.949 0.375 1.00 30.34 H new ATOM 0 HD13 ILE A 70 0.400 9.650 -0.006 1.00 30.34 H new ATOM 1138 N ILE A 71 3.055 8.563 5.030 1.00 21.31 N ATOM 1139 CA ILE A 71 3.773 7.610 5.877 1.00 42.44 C ATOM 1140 C ILE A 71 3.574 7.949 7.366 1.00 11.32 C ATOM 1141 O ILE A 71 3.402 7.044 8.185 1.00 34.50 O ATOM 1142 CB ILE A 71 5.260 7.573 5.442 1.00 62.44 C ATOM 1143 CG1 ILE A 71 5.438 6.955 4.030 1.00 63.11 C ATOM 1144 CG2 ILE A 71 6.146 6.849 6.466 1.00 14.52 C ATOM 1145 CD1 ILE A 71 5.390 5.428 3.940 1.00 64.30 C ATOM 0 H ILE A 71 3.653 9.025 4.345 1.00 21.31 H new ATOM 0 HA ILE A 71 3.370 6.605 5.750 1.00 42.44 H new ATOM 0 HB ILE A 71 5.589 8.611 5.396 1.00 62.44 H new ATOM 0 HG12 ILE A 71 4.661 7.359 3.381 1.00 63.11 H new ATOM 0 HG13 ILE A 71 6.395 7.290 3.629 1.00 63.11 H new ATOM 0 HG21 ILE A 71 7.179 6.849 6.118 1.00 14.52 H new ATOM 0 HG22 ILE A 71 6.087 7.362 7.426 1.00 14.52 H new ATOM 0 HG23 ILE A 71 5.802 5.821 6.583 1.00 14.52 H new ATOM 0 HD11 ILE A 71 5.526 5.120 2.903 1.00 64.30 H new ATOM 0 HD12 ILE A 71 6.185 5.002 4.553 1.00 64.30 H new ATOM 0 HD13 ILE A 71 4.425 5.072 4.300 1.00 64.30 H new ATOM 1157 N THR A 72 3.549 9.234 7.735 1.00 73.42 N ATOM 1158 CA THR A 72 3.292 9.640 9.114 1.00 41.35 C ATOM 1159 C THR A 72 1.892 9.181 9.557 1.00 71.04 C ATOM 1160 O THR A 72 1.732 8.634 10.649 1.00 75.52 O ATOM 1161 CB THR A 72 3.448 11.161 9.301 1.00 34.31 C ATOM 1162 OG1 THR A 72 4.485 11.766 8.546 1.00 1.15 O ATOM 1163 CG2 THR A 72 3.828 11.462 10.744 1.00 12.11 C ATOM 0 H THR A 72 3.705 10.011 7.093 1.00 73.42 H new ATOM 0 HA THR A 72 4.038 9.156 9.744 1.00 41.35 H new ATOM 0 HB THR A 72 2.485 11.558 8.979 1.00 34.31 H new ATOM 0 HG1 THR A 72 4.284 11.685 7.590 1.00 1.15 H new ATOM 0 HG21 THR A 72 3.938 12.539 10.874 1.00 12.11 H new ATOM 0 HG22 THR A 72 3.048 11.094 11.410 1.00 12.11 H new ATOM 0 HG23 THR A 72 4.771 10.970 10.982 1.00 12.11 H new ATOM 1171 N LYS A 73 0.881 9.348 8.696 1.00 34.13 N ATOM 1172 CA LYS A 73 -0.486 8.915 8.957 1.00 51.34 C ATOM 1173 C LYS A 73 -0.544 7.435 9.329 1.00 60.01 C ATOM 1174 O LYS A 73 -1.310 7.072 10.220 1.00 31.22 O ATOM 1175 CB LYS A 73 -1.376 9.216 7.728 1.00 5.52 C ATOM 1176 CG LYS A 73 -2.583 10.103 8.060 1.00 70.34 C ATOM 1177 CD LYS A 73 -2.562 11.489 7.407 1.00 52.54 C ATOM 1178 CE LYS A 73 -1.331 12.309 7.811 1.00 12.42 C ATOM 1179 NZ LYS A 73 -1.625 13.757 7.855 1.00 20.21 N ATOM 0 H LYS A 73 0.997 9.795 7.787 1.00 34.13 H new ATOM 0 HA LYS A 73 -0.866 9.474 9.812 1.00 51.34 H new ATOM 0 HB2 LYS A 73 -0.774 9.705 6.962 1.00 5.52 H new ATOM 0 HB3 LYS A 73 -1.729 8.276 7.304 1.00 5.52 H new ATOM 0 HG2 LYS A 73 -3.492 9.586 7.752 1.00 70.34 H new ATOM 0 HG3 LYS A 73 -2.638 10.227 9.141 1.00 70.34 H new ATOM 0 HD2 LYS A 73 -2.580 11.377 6.323 1.00 52.54 H new ATOM 0 HD3 LYS A 73 -3.465 12.033 7.686 1.00 52.54 H new ATOM 0 HE2 LYS A 73 -0.980 11.980 8.789 1.00 12.42 H new ATOM 0 HE3 LYS A 73 -0.523 12.124 7.103 1.00 12.42 H new ATOM 0 HZ1 LYS A 73 -0.768 14.277 8.132 1.00 20.21 H new ATOM 0 HZ2 LYS A 73 -1.936 14.077 6.915 1.00 20.21 H new ATOM 0 HZ3 LYS A 73 -2.379 13.937 8.549 1.00 20.21 H new ATOM 1193 N LEU A 74 0.241 6.586 8.662 1.00 63.02 N ATOM 1194 CA LEU A 74 0.266 5.148 8.918 1.00 14.54 C ATOM 1195 C LEU A 74 0.987 4.838 10.220 1.00 62.35 C ATOM 1196 O LEU A 74 0.544 3.958 10.954 1.00 54.02 O ATOM 1197 CB LEU A 74 0.975 4.397 7.786 1.00 63.35 C ATOM 1198 CG LEU A 74 0.176 4.198 6.498 1.00 60.12 C ATOM 1199 CD1 LEU A 74 -1.230 3.640 6.708 1.00 72.11 C ATOM 1200 CD2 LEU A 74 0.084 5.468 5.650 1.00 62.15 C ATOM 0 H LEU A 74 0.881 6.881 7.924 1.00 63.02 H new ATOM 0 HA LEU A 74 -0.772 4.820 8.983 1.00 14.54 H new ATOM 0 HB2 LEU A 74 1.891 4.935 7.540 1.00 63.35 H new ATOM 0 HB3 LEU A 74 1.271 3.417 8.159 1.00 63.35 H new ATOM 0 HG LEU A 74 0.754 3.447 5.960 1.00 60.12 H new ATOM 0 HD11 LEU A 74 -1.726 3.530 5.743 1.00 72.11 H new ATOM 0 HD12 LEU A 74 -1.166 2.667 7.196 1.00 72.11 H new ATOM 0 HD13 LEU A 74 -1.803 4.323 7.335 1.00 72.11 H new ATOM 0 HD21 LEU A 74 -0.495 5.263 4.750 1.00 62.15 H new ATOM 0 HD22 LEU A 74 -0.405 6.255 6.225 1.00 62.15 H new ATOM 0 HD23 LEU A 74 1.086 5.792 5.371 1.00 62.15 H new ATOM 1212 N ASN A 75 2.083 5.549 10.510 1.00 70.45 N ATOM 1213 CA ASN A 75 2.777 5.421 11.795 1.00 21.03 C ATOM 1214 C ASN A 75 1.793 5.616 12.952 1.00 74.23 C ATOM 1215 O ASN A 75 1.872 4.885 13.931 1.00 5.33 O ATOM 1216 CB ASN A 75 3.950 6.413 11.934 1.00 23.20 C ATOM 1217 CG ASN A 75 5.254 5.898 11.341 1.00 13.33 C ATOM 1218 OD1 ASN A 75 5.686 4.791 11.627 1.00 55.45 O ATOM 1219 ND2 ASN A 75 5.966 6.676 10.542 1.00 13.23 N ATOM 0 H ASN A 75 2.508 6.220 9.870 1.00 70.45 H new ATOM 0 HA ASN A 75 3.194 4.415 11.831 1.00 21.03 H new ATOM 0 HB2 ASN A 75 3.683 7.350 11.445 1.00 23.20 H new ATOM 0 HB3 ASN A 75 4.103 6.636 12.990 1.00 23.20 H new ATOM 0 HD21 ASN A 75 6.860 6.349 10.175 1.00 13.23 H new ATOM 0 HD22 ASN A 75 5.621 7.603 10.293 1.00 13.23 H new ATOM 1226 N SER A 76 0.863 6.567 12.820 1.00 52.22 N ATOM 1227 CA SER A 76 -0.183 6.847 13.797 1.00 0.11 C ATOM 1228 C SER A 76 -1.066 5.629 14.057 1.00 14.04 C ATOM 1229 O SER A 76 -1.354 5.307 15.212 1.00 43.24 O ATOM 1230 CB SER A 76 -1.048 7.988 13.255 1.00 73.11 C ATOM 1231 OG SER A 76 -1.562 8.781 14.306 1.00 13.21 O ATOM 0 H SER A 76 0.820 7.179 12.005 1.00 52.22 H new ATOM 0 HA SER A 76 0.289 7.118 14.742 1.00 0.11 H new ATOM 0 HB2 SER A 76 -0.456 8.609 12.583 1.00 73.11 H new ATOM 0 HB3 SER A 76 -1.871 7.578 12.669 1.00 73.11 H new ATOM 0 HG SER A 76 -2.109 9.503 13.933 1.00 13.21 H new ATOM 1237 N LEU A 77 -1.526 4.993 12.974 1.00 50.32 N ATOM 1238 CA LEU A 77 -2.479 3.879 13.038 1.00 24.23 C ATOM 1239 C LEU A 77 -1.941 2.734 13.886 1.00 72.34 C ATOM 1240 O LEU A 77 -2.724 2.049 14.542 1.00 74.51 O ATOM 1241 CB LEU A 77 -2.830 3.330 11.644 1.00 72.24 C ATOM 1242 CG LEU A 77 -3.538 4.327 10.715 1.00 25.40 C ATOM 1243 CD1 LEU A 77 -3.833 3.674 9.364 1.00 43.41 C ATOM 1244 CD2 LEU A 77 -4.834 4.857 11.328 1.00 4.53 C ATOM 0 H LEU A 77 -1.247 5.238 12.024 1.00 50.32 H new ATOM 0 HA LEU A 77 -3.381 4.286 13.495 1.00 24.23 H new ATOM 0 HB2 LEU A 77 -1.913 2.994 11.161 1.00 72.24 H new ATOM 0 HB3 LEU A 77 -3.466 2.453 11.765 1.00 72.24 H new ATOM 0 HG LEU A 77 -2.866 5.173 10.573 1.00 25.40 H new ATOM 0 HD11 LEU A 77 -4.335 4.392 8.715 1.00 43.41 H new ATOM 0 HD12 LEU A 77 -2.898 3.358 8.901 1.00 43.41 H new ATOM 0 HD13 LEU A 77 -4.476 2.807 9.512 1.00 43.41 H new ATOM 0 HD21 LEU A 77 -5.302 5.559 10.638 1.00 4.53 H new ATOM 0 HD22 LEU A 77 -5.513 4.026 11.517 1.00 4.53 H new ATOM 0 HD23 LEU A 77 -4.612 5.365 12.267 1.00 4.53 H new ATOM 1256 N ASN A 78 -0.617 2.541 13.893 1.00 43.45 N ATOM 1257 CA ASN A 78 0.064 1.527 14.698 1.00 34.21 C ATOM 1258 C ASN A 78 -0.503 0.127 14.398 1.00 25.03 C ATOM 1259 O ASN A 78 -0.636 -0.712 15.290 1.00 0.14 O ATOM 1260 CB ASN A 78 -0.025 1.935 16.182 1.00 72.44 C ATOM 1261 CG ASN A 78 1.133 1.416 17.017 1.00 32.33 C ATOM 1262 OD1 ASN A 78 2.019 2.182 17.371 1.00 14.51 O ATOM 1263 ND2 ASN A 78 1.155 0.152 17.381 1.00 33.14 N ATOM 0 H ASN A 78 0.022 3.099 13.326 1.00 43.45 H new ATOM 0 HA ASN A 78 1.121 1.469 14.440 1.00 34.21 H new ATOM 0 HB2 ASN A 78 -0.056 3.022 16.252 1.00 72.44 H new ATOM 0 HB3 ASN A 78 -0.961 1.562 16.599 1.00 72.44 H new ATOM 0 HD21 ASN A 78 1.916 -0.198 17.964 1.00 33.14 H new ATOM 0 HD22 ASN A 78 0.411 -0.478 17.080 1.00 33.14 H new ATOM 1270 N GLU A 79 -0.910 -0.106 13.147 1.00 1.52 N ATOM 1271 CA GLU A 79 -1.596 -1.309 12.679 1.00 64.42 C ATOM 1272 C GLU A 79 -0.752 -2.047 11.633 1.00 11.02 C ATOM 1273 O GLU A 79 0.125 -1.433 11.020 1.00 12.22 O ATOM 1274 CB GLU A 79 -2.946 -0.893 12.063 1.00 33.12 C ATOM 1275 CG GLU A 79 -4.046 -0.783 13.120 1.00 71.10 C ATOM 1276 CD GLU A 79 -4.609 -2.153 13.498 1.00 74.45 C ATOM 1277 OE1 GLU A 79 -3.989 -2.867 14.321 1.00 3.13 O ATOM 1278 OE2 GLU A 79 -5.659 -2.524 12.925 1.00 60.14 O ATOM 0 H GLU A 79 -0.762 0.572 12.400 1.00 1.52 H new ATOM 0 HA GLU A 79 -1.755 -1.984 13.520 1.00 64.42 H new ATOM 0 HB2 GLU A 79 -2.833 0.065 11.555 1.00 33.12 H new ATOM 0 HB3 GLU A 79 -3.240 -1.622 11.308 1.00 33.12 H new ATOM 0 HG2 GLU A 79 -3.648 -0.296 14.010 1.00 71.10 H new ATOM 0 HG3 GLU A 79 -4.850 -0.151 12.743 1.00 71.10 H new ATOM 1285 N PRO A 80 -1.029 -3.341 11.393 1.00 22.11 N ATOM 1286 CA PRO A 80 -0.389 -4.105 10.343 1.00 52.31 C ATOM 1287 C PRO A 80 -1.037 -3.786 8.994 1.00 23.12 C ATOM 1288 O PRO A 80 -2.267 -3.705 8.879 1.00 43.54 O ATOM 1289 CB PRO A 80 -0.571 -5.564 10.755 1.00 41.10 C ATOM 1290 CG PRO A 80 -1.925 -5.557 11.451 1.00 35.52 C ATOM 1291 CD PRO A 80 -1.967 -4.183 12.119 1.00 54.30 C ATOM 0 HA PRO A 80 0.668 -3.870 10.221 1.00 52.31 H new ATOM 0 HB2 PRO A 80 -0.564 -6.231 9.893 1.00 41.10 H new ATOM 0 HB3 PRO A 80 0.224 -5.897 11.422 1.00 41.10 H new ATOM 0 HG2 PRO A 80 -2.743 -5.685 10.742 1.00 35.52 H new ATOM 0 HG3 PRO A 80 -2.007 -6.362 12.181 1.00 35.52 H new ATOM 0 HD2 PRO A 80 -2.973 -3.764 12.082 1.00 54.30 H new ATOM 0 HD3 PRO A 80 -1.690 -4.255 13.171 1.00 54.30 H new ATOM 1299 N LEU A 81 -0.213 -3.627 7.961 1.00 75.15 N ATOM 1300 CA LEU A 81 -0.641 -3.232 6.621 1.00 60.23 C ATOM 1301 C LEU A 81 -0.083 -4.241 5.617 1.00 44.15 C ATOM 1302 O LEU A 81 0.907 -4.919 5.906 1.00 52.32 O ATOM 1303 CB LEU A 81 -0.169 -1.800 6.262 1.00 23.24 C ATOM 1304 CG LEU A 81 0.086 -0.791 7.409 1.00 74.12 C ATOM 1305 CD1 LEU A 81 0.686 0.489 6.821 1.00 13.34 C ATOM 1306 CD2 LEU A 81 -1.151 -0.364 8.212 1.00 63.23 C ATOM 0 H LEU A 81 0.794 -3.773 8.034 1.00 75.15 H new ATOM 0 HA LEU A 81 -1.730 -3.225 6.588 1.00 60.23 H new ATOM 0 HB2 LEU A 81 0.754 -1.890 5.690 1.00 23.24 H new ATOM 0 HB3 LEU A 81 -0.914 -1.363 5.597 1.00 23.24 H new ATOM 0 HG LEU A 81 0.747 -1.319 8.096 1.00 74.12 H new ATOM 0 HD11 LEU A 81 0.869 1.206 7.621 1.00 13.34 H new ATOM 0 HD12 LEU A 81 1.626 0.254 6.322 1.00 13.34 H new ATOM 0 HD13 LEU A 81 -0.010 0.919 6.101 1.00 13.34 H new ATOM 0 HD21 LEU A 81 -0.855 0.343 8.988 1.00 63.23 H new ATOM 0 HD22 LEU A 81 -1.872 0.110 7.545 1.00 63.23 H new ATOM 0 HD23 LEU A 81 -1.605 -1.241 8.674 1.00 63.23 H new ATOM 1318 N VAL A 82 -0.666 -4.295 4.421 1.00 25.43 N ATOM 1319 CA VAL A 82 -0.164 -5.052 3.278 1.00 65.23 C ATOM 1320 C VAL A 82 -0.393 -4.125 2.070 1.00 22.41 C ATOM 1321 O VAL A 82 -1.528 -3.711 1.842 1.00 62.31 O ATOM 1322 CB VAL A 82 -0.867 -6.441 3.174 1.00 62.45 C ATOM 1323 CG1 VAL A 82 -0.228 -7.321 2.101 1.00 23.52 C ATOM 1324 CG2 VAL A 82 -0.904 -7.257 4.474 1.00 25.23 C ATOM 0 H VAL A 82 -1.531 -3.795 4.215 1.00 25.43 H new ATOM 0 HA VAL A 82 0.892 -5.310 3.354 1.00 65.23 H new ATOM 0 HB VAL A 82 -1.893 -6.177 2.918 1.00 62.45 H new ATOM 0 HG11 VAL A 82 -0.746 -8.279 2.060 1.00 23.52 H new ATOM 0 HG12 VAL A 82 -0.303 -6.826 1.133 1.00 23.52 H new ATOM 0 HG13 VAL A 82 0.822 -7.486 2.344 1.00 23.52 H new ATOM 0 HG21 VAL A 82 -1.413 -8.204 4.295 1.00 25.23 H new ATOM 0 HG22 VAL A 82 0.114 -7.451 4.811 1.00 25.23 H new ATOM 0 HG23 VAL A 82 -1.439 -6.696 5.240 1.00 25.23 H new ATOM 1334 N THR A 83 0.661 -3.685 1.367 1.00 11.25 N ATOM 1335 CA THR A 83 0.537 -2.764 0.225 1.00 2.14 C ATOM 1336 C THR A 83 1.688 -2.991 -0.781 1.00 55.14 C ATOM 1337 O THR A 83 2.408 -3.992 -0.707 1.00 75.05 O ATOM 1338 CB THR A 83 0.422 -1.314 0.754 1.00 40.24 C ATOM 1339 OG1 THR A 83 0.113 -0.378 -0.272 1.00 35.30 O ATOM 1340 CG2 THR A 83 1.675 -0.841 1.503 1.00 74.12 C ATOM 0 H THR A 83 1.622 -3.956 1.573 1.00 11.25 H new ATOM 0 HA THR A 83 -0.375 -2.963 -0.338 1.00 2.14 H new ATOM 0 HB THR A 83 -0.407 -1.350 1.461 1.00 40.24 H new ATOM 0 HG1 THR A 83 -0.745 0.052 -0.075 1.00 35.30 H new ATOM 0 HG21 THR A 83 1.528 0.183 1.847 1.00 74.12 H new ATOM 0 HG22 THR A 83 1.853 -1.490 2.360 1.00 74.12 H new ATOM 0 HG23 THR A 83 2.535 -0.879 0.834 1.00 74.12 H new ATOM 1348 N MET A 84 1.854 -2.087 -1.746 1.00 50.45 N ATOM 1349 CA MET A 84 2.932 -2.012 -2.737 1.00 21.44 C ATOM 1350 C MET A 84 3.793 -0.781 -2.346 1.00 61.20 C ATOM 1351 O MET A 84 3.338 0.028 -1.526 1.00 62.31 O ATOM 1352 CB MET A 84 2.387 -1.754 -4.154 1.00 42.33 C ATOM 1353 CG MET A 84 1.015 -2.341 -4.474 1.00 32.25 C ATOM 1354 SD MET A 84 -0.249 -1.084 -4.104 1.00 70.42 S ATOM 1355 CE MET A 84 -1.606 -2.074 -3.461 1.00 51.44 C ATOM 0 H MET A 84 1.185 -1.326 -1.866 1.00 50.45 H new ATOM 0 HA MET A 84 3.484 -2.952 -2.745 1.00 21.44 H new ATOM 0 HB2 MET A 84 2.342 -0.676 -4.311 1.00 42.33 H new ATOM 0 HB3 MET A 84 3.104 -2.151 -4.873 1.00 42.33 H new ATOM 0 HG2 MET A 84 0.963 -2.634 -5.523 1.00 32.25 H new ATOM 0 HG3 MET A 84 0.840 -3.240 -3.883 1.00 32.25 H new ATOM 0 HE1 MET A 84 -2.542 -1.529 -3.580 1.00 51.44 H new ATOM 0 HE2 MET A 84 -1.661 -3.015 -4.009 1.00 51.44 H new ATOM 0 HE3 MET A 84 -1.438 -2.279 -2.404 1.00 51.44 H new ATOM 1365 N PRO A 85 5.007 -0.570 -2.888 1.00 72.14 N ATOM 1366 CA PRO A 85 5.712 0.700 -2.728 1.00 43.30 C ATOM 1367 C PRO A 85 4.870 1.857 -3.293 1.00 51.40 C ATOM 1368 O PRO A 85 4.585 1.891 -4.490 1.00 43.45 O ATOM 1369 CB PRO A 85 7.049 0.558 -3.464 1.00 34.53 C ATOM 1370 CG PRO A 85 7.059 -0.849 -4.072 1.00 13.44 C ATOM 1371 CD PRO A 85 5.626 -1.356 -3.937 1.00 43.25 C ATOM 0 HA PRO A 85 5.885 0.930 -1.677 1.00 43.30 H new ATOM 0 HB2 PRO A 85 7.148 1.317 -4.240 1.00 34.53 H new ATOM 0 HB3 PRO A 85 7.886 0.691 -2.779 1.00 34.53 H new ATOM 0 HG2 PRO A 85 7.371 -0.824 -5.116 1.00 13.44 H new ATOM 0 HG3 PRO A 85 7.758 -1.500 -3.546 1.00 13.44 H new ATOM 0 HD2 PRO A 85 5.085 -1.243 -4.876 1.00 43.25 H new ATOM 0 HD3 PRO A 85 5.612 -2.417 -3.686 1.00 43.25 H new ATOM 1379 N ILE A 86 4.437 2.780 -2.430 1.00 74.44 N ATOM 1380 CA ILE A 86 3.480 3.843 -2.758 1.00 23.50 C ATOM 1381 C ILE A 86 4.150 4.848 -3.678 1.00 61.31 C ATOM 1382 O ILE A 86 3.708 5.069 -4.811 1.00 33.34 O ATOM 1383 CB ILE A 86 2.964 4.531 -1.473 1.00 20.54 C ATOM 1384 CG1 ILE A 86 2.379 3.494 -0.507 1.00 72.05 C ATOM 1385 CG2 ILE A 86 1.911 5.608 -1.789 1.00 52.11 C ATOM 1386 CD1 ILE A 86 2.166 4.028 0.895 1.00 60.42 C ATOM 0 H ILE A 86 4.749 2.810 -1.459 1.00 74.44 H new ATOM 0 HA ILE A 86 2.619 3.409 -3.267 1.00 23.50 H new ATOM 0 HB ILE A 86 3.815 5.021 -1.001 1.00 20.54 H new ATOM 0 HG12 ILE A 86 1.427 3.139 -0.901 1.00 72.05 H new ATOM 0 HG13 ILE A 86 3.046 2.633 -0.462 1.00 72.05 H new ATOM 0 HG21 ILE A 86 1.572 6.069 -0.861 1.00 52.11 H new ATOM 0 HG22 ILE A 86 2.351 6.369 -2.433 1.00 52.11 H new ATOM 0 HG23 ILE A 86 1.063 5.149 -2.297 1.00 52.11 H new ATOM 0 HD11 ILE A 86 1.750 3.241 1.525 1.00 60.42 H new ATOM 0 HD12 ILE A 86 3.120 4.357 1.308 1.00 60.42 H new ATOM 0 HD13 ILE A 86 1.475 4.870 0.862 1.00 60.42 H new ATOM 1398 N GLY A 87 5.209 5.475 -3.164 1.00 13.42 N ATOM 1399 CA GLY A 87 6.031 6.417 -3.881 1.00 22.22 C ATOM 1400 C GLY A 87 6.879 5.625 -4.855 1.00 51.20 C ATOM 1401 O GLY A 87 8.033 5.349 -4.567 1.00 12.24 O ATOM 0 H GLY A 87 5.518 5.327 -2.203 1.00 13.42 H new ATOM 0 HA2 GLY A 87 5.412 7.141 -4.411 1.00 22.22 H new ATOM 0 HA3 GLY A 87 6.661 6.979 -3.192 1.00 22.22 H new ATOM 1405 N TYR A 88 6.285 5.244 -5.980 1.00 45.13 N ATOM 1406 CA TYR A 88 6.957 4.813 -7.202 1.00 43.50 C ATOM 1407 C TYR A 88 6.315 5.507 -8.414 1.00 73.55 C ATOM 1408 O TYR A 88 6.934 5.663 -9.459 1.00 41.22 O ATOM 1409 CB TYR A 88 6.919 3.277 -7.300 1.00 43.02 C ATOM 1410 CG TYR A 88 7.808 2.701 -8.392 1.00 64.01 C ATOM 1411 CD1 TYR A 88 9.178 2.484 -8.145 1.00 1.51 C ATOM 1412 CD2 TYR A 88 7.277 2.391 -9.660 1.00 24.01 C ATOM 1413 CE1 TYR A 88 10.011 1.992 -9.165 1.00 53.20 C ATOM 1414 CE2 TYR A 88 8.115 1.950 -10.701 1.00 51.12 C ATOM 1415 CZ TYR A 88 9.495 1.761 -10.458 1.00 74.42 C ATOM 1416 OH TYR A 88 10.348 1.397 -11.454 1.00 1.22 O ATOM 0 H TYR A 88 5.269 5.226 -6.070 1.00 45.13 H new ATOM 0 HA TYR A 88 8.007 5.105 -7.185 1.00 43.50 H new ATOM 0 HB2 TYR A 88 7.220 2.855 -6.341 1.00 43.02 H new ATOM 0 HB3 TYR A 88 5.891 2.961 -7.479 1.00 43.02 H new ATOM 0 HD1 TYR A 88 9.589 2.696 -7.169 1.00 1.51 H new ATOM 0 HD2 TYR A 88 6.216 2.493 -9.835 1.00 24.01 H new ATOM 0 HE1 TYR A 88 11.051 1.790 -8.958 1.00 53.20 H new ATOM 0 HE2 TYR A 88 7.706 1.757 -11.682 1.00 51.12 H new ATOM 0 HH TYR A 88 9.845 1.273 -12.286 1.00 1.22 H new ATOM 1426 N VAL A 89 5.077 5.995 -8.268 1.00 44.31 N ATOM 1427 CA VAL A 89 4.209 6.332 -9.395 1.00 5.21 C ATOM 1428 C VAL A 89 3.447 7.633 -9.147 1.00 13.22 C ATOM 1429 O VAL A 89 3.569 8.566 -9.940 1.00 2.41 O ATOM 1430 CB VAL A 89 3.301 5.145 -9.760 1.00 2.22 C ATOM 1431 CG1 VAL A 89 3.964 4.305 -10.853 1.00 5.43 C ATOM 1432 CG2 VAL A 89 2.958 4.259 -8.561 1.00 50.32 C ATOM 0 H VAL A 89 4.650 6.167 -7.358 1.00 44.31 H new ATOM 0 HA VAL A 89 4.831 6.521 -10.270 1.00 5.21 H new ATOM 0 HB VAL A 89 2.362 5.564 -10.120 1.00 2.22 H new ATOM 0 HG11 VAL A 89 3.318 3.465 -11.109 1.00 5.43 H new ATOM 0 HG12 VAL A 89 4.126 4.921 -11.738 1.00 5.43 H new ATOM 0 HG13 VAL A 89 4.922 3.929 -10.493 1.00 5.43 H new ATOM 0 HG21 VAL A 89 2.315 3.441 -8.885 1.00 50.32 H new ATOM 0 HG22 VAL A 89 3.875 3.853 -8.134 1.00 50.32 H new ATOM 0 HG23 VAL A 89 2.439 4.851 -7.808 1.00 50.32 H new ATOM 1442 N THR A 90 2.790 7.760 -7.991 1.00 31.34 N ATOM 1443 CA THR A 90 2.228 9.001 -7.450 1.00 53.12 C ATOM 1444 C THR A 90 3.228 10.169 -7.400 1.00 72.53 C ATOM 1445 O THR A 90 2.811 11.305 -7.169 1.00 40.43 O ATOM 1446 CB THR A 90 1.680 8.699 -6.039 1.00 74.21 C ATOM 1447 OG1 THR A 90 1.108 9.819 -5.409 1.00 41.10 O ATOM 1448 CG2 THR A 90 2.752 8.172 -5.081 1.00 73.23 C ATOM 0 H THR A 90 2.628 6.962 -7.377 1.00 31.34 H new ATOM 0 HA THR A 90 1.437 9.331 -8.123 1.00 53.12 H new ATOM 0 HB THR A 90 0.920 7.940 -6.226 1.00 74.21 H new ATOM 0 HG1 THR A 90 0.245 9.569 -5.017 1.00 41.10 H new ATOM 0 HG21 THR A 90 2.305 7.979 -4.106 1.00 73.23 H new ATOM 0 HG22 THR A 90 3.172 7.248 -5.478 1.00 73.23 H new ATOM 0 HG23 THR A 90 3.543 8.914 -4.977 1.00 73.23 H new ATOM 1456 N HIS A 91 4.527 9.890 -7.533 1.00 12.34 N ATOM 1457 CA HIS A 91 5.584 10.881 -7.467 1.00 51.55 C ATOM 1458 C HIS A 91 6.700 10.598 -8.490 1.00 53.55 C ATOM 1459 O HIS A 91 7.650 11.376 -8.578 1.00 33.12 O ATOM 1460 CB HIS A 91 6.109 10.919 -6.022 1.00 53.04 C ATOM 1461 CG HIS A 91 6.515 12.297 -5.577 1.00 44.11 C ATOM 1462 ND1 HIS A 91 7.306 13.169 -6.292 1.00 35.51 N ATOM 1463 CD2 HIS A 91 6.194 12.892 -4.385 1.00 65.34 C ATOM 1464 CE1 HIS A 91 7.470 14.270 -5.544 1.00 40.24 C ATOM 1465 NE2 HIS A 91 6.825 14.140 -4.370 1.00 42.35 N ATOM 0 H HIS A 91 4.873 8.944 -7.693 1.00 12.34 H new ATOM 0 HA HIS A 91 5.191 11.862 -7.735 1.00 51.55 H new ATOM 0 HB2 HIS A 91 5.338 10.540 -5.352 1.00 53.04 H new ATOM 0 HB3 HIS A 91 6.964 10.249 -5.935 1.00 53.04 H new ATOM 0 HD1 HIS A 91 7.696 13.007 -7.221 1.00 35.51 H new ATOM 0 HD2 HIS A 91 5.572 12.476 -3.606 1.00 65.34 H new ATOM 0 HE1 HIS A 91 8.039 15.138 -5.842 1.00 40.24 H new ATOM 1473 N GLY A 92 6.596 9.514 -9.274 1.00 5.20 N ATOM 1474 CA GLY A 92 7.605 9.106 -10.251 1.00 44.05 C ATOM 1475 C GLY A 92 8.930 8.658 -9.627 1.00 63.13 C ATOM 1476 O GLY A 92 9.968 8.773 -10.273 1.00 1.11 O ATOM 0 H GLY A 92 5.791 8.888 -9.242 1.00 5.20 H new ATOM 0 HA2 GLY A 92 7.204 8.290 -10.853 1.00 44.05 H new ATOM 0 HA3 GLY A 92 7.797 9.938 -10.929 1.00 44.05 H new ATOM 1480 N PHE A 93 8.913 8.184 -8.380 1.00 62.20 N ATOM 1481 CA PHE A 93 10.108 7.736 -7.663 1.00 31.10 C ATOM 1482 C PHE A 93 10.651 6.452 -8.288 1.00 53.45 C ATOM 1483 O PHE A 93 9.868 5.587 -8.681 1.00 34.35 O ATOM 1484 CB PHE A 93 9.735 7.503 -6.202 1.00 34.12 C ATOM 1485 CG PHE A 93 9.489 8.741 -5.362 1.00 53.25 C ATOM 1486 CD1 PHE A 93 9.724 10.033 -5.870 1.00 64.14 C ATOM 1487 CD2 PHE A 93 9.011 8.599 -4.047 1.00 30.35 C ATOM 1488 CE1 PHE A 93 9.496 11.157 -5.076 1.00 42.53 C ATOM 1489 CE2 PHE A 93 8.738 9.739 -3.268 1.00 44.31 C ATOM 1490 CZ PHE A 93 8.986 11.025 -3.777 1.00 22.23 C ATOM 0 H PHE A 93 8.057 8.099 -7.832 1.00 62.20 H new ATOM 0 HA PHE A 93 10.887 8.495 -7.728 1.00 31.10 H new ATOM 0 HB2 PHE A 93 8.836 6.887 -6.173 1.00 34.12 H new ATOM 0 HB3 PHE A 93 10.532 6.926 -5.734 1.00 34.12 H new ATOM 0 HD1 PHE A 93 10.083 10.155 -6.881 1.00 64.14 H new ATOM 0 HD2 PHE A 93 8.853 7.614 -3.634 1.00 30.35 H new ATOM 0 HE1 PHE A 93 9.715 12.140 -5.466 1.00 42.53 H new ATOM 0 HE2 PHE A 93 8.335 9.625 -2.272 1.00 44.31 H new ATOM 0 HZ PHE A 93 8.786 11.900 -3.176 1.00 22.23 H new ATOM 1500 N ASN A 94 11.974 6.294 -8.359 1.00 34.20 N ATOM 1501 CA ASN A 94 12.577 5.007 -8.721 1.00 50.42 C ATOM 1502 C ASN A 94 12.575 4.071 -7.508 1.00 4.21 C ATOM 1503 O ASN A 94 12.110 4.423 -6.424 1.00 63.25 O ATOM 1504 CB ASN A 94 13.991 5.180 -9.308 1.00 73.15 C ATOM 1505 CG ASN A 94 14.046 5.735 -10.731 1.00 13.32 C ATOM 1506 OD1 ASN A 94 13.034 5.538 -11.568 1.00 51.43 O flip ATOM 1507 ND2 ASN A 94 15.052 6.316 -11.114 1.00 12.02 N flip ATOM 0 H ASN A 94 12.647 7.037 -8.172 1.00 34.20 H new ATOM 0 HA ASN A 94 11.973 4.554 -9.507 1.00 50.42 H new ATOM 0 HB2 ASN A 94 14.558 5.843 -8.655 1.00 73.15 H new ATOM 0 HB3 ASN A 94 14.493 4.213 -9.294 1.00 73.15 H new ATOM 0 HD21 ASN A 94 15.829 6.467 -10.471 1.00 12.02 H new ATOM 0 HD22 ASN A 94 15.113 6.649 -12.076 1.00 12.02 H new ATOM 1514 N LEU A 95 13.064 2.842 -7.688 1.00 52.14 N ATOM 1515 CA LEU A 95 12.902 1.762 -6.716 1.00 13.03 C ATOM 1516 C LEU A 95 13.688 2.057 -5.431 1.00 12.10 C ATOM 1517 O LEU A 95 13.202 1.786 -4.334 1.00 75.13 O ATOM 1518 CB LEU A 95 13.311 0.437 -7.398 1.00 70.32 C ATOM 1519 CG LEU A 95 12.635 -0.866 -6.921 1.00 70.34 C ATOM 1520 CD1 LEU A 95 13.109 -1.341 -5.553 1.00 63.15 C ATOM 1521 CD2 LEU A 95 11.101 -0.809 -6.925 1.00 52.34 C ATOM 0 H LEU A 95 13.587 2.568 -8.519 1.00 52.14 H new ATOM 0 HA LEU A 95 11.862 1.676 -6.401 1.00 13.03 H new ATOM 0 HB2 LEU A 95 13.121 0.539 -8.466 1.00 70.32 H new ATOM 0 HB3 LEU A 95 14.388 0.318 -7.276 1.00 70.32 H new ATOM 0 HG LEU A 95 12.954 -1.592 -7.668 1.00 70.34 H new ATOM 0 HD11 LEU A 95 12.589 -2.261 -5.287 1.00 63.15 H new ATOM 0 HD12 LEU A 95 14.183 -1.527 -5.584 1.00 63.15 H new ATOM 0 HD13 LEU A 95 12.895 -0.575 -4.808 1.00 63.15 H new ATOM 0 HD21 LEU A 95 10.701 -1.761 -6.577 1.00 52.34 H new ATOM 0 HD22 LEU A 95 10.765 -0.011 -6.263 1.00 52.34 H new ATOM 0 HD23 LEU A 95 10.747 -0.614 -7.937 1.00 52.34 H new ATOM 1533 N GLU A 96 14.866 2.675 -5.559 1.00 54.23 N ATOM 1534 CA GLU A 96 15.698 3.073 -4.429 1.00 11.40 C ATOM 1535 C GLU A 96 14.983 4.105 -3.544 1.00 14.40 C ATOM 1536 O GLU A 96 14.977 3.989 -2.315 1.00 23.23 O ATOM 1537 CB GLU A 96 17.033 3.619 -4.963 1.00 44.34 C ATOM 1538 CG GLU A 96 17.972 3.937 -3.792 1.00 51.32 C ATOM 1539 CD GLU A 96 19.464 4.012 -4.127 1.00 44.24 C ATOM 1540 OE1 GLU A 96 19.887 3.934 -5.300 1.00 55.14 O ATOM 1541 OE2 GLU A 96 20.257 4.168 -3.168 1.00 31.21 O ATOM 0 H GLU A 96 15.270 2.914 -6.464 1.00 54.23 H new ATOM 0 HA GLU A 96 15.891 2.204 -3.800 1.00 11.40 H new ATOM 0 HB2 GLU A 96 17.497 2.887 -5.624 1.00 44.34 H new ATOM 0 HB3 GLU A 96 16.858 4.518 -5.555 1.00 44.34 H new ATOM 0 HG2 GLU A 96 17.669 4.890 -3.358 1.00 51.32 H new ATOM 0 HG3 GLU A 96 17.831 3.178 -3.023 1.00 51.32 H new ATOM 1548 N GLU A 97 14.371 5.106 -4.180 1.00 40.20 N ATOM 1549 CA GLU A 97 13.586 6.153 -3.539 1.00 72.14 C ATOM 1550 C GLU A 97 12.356 5.552 -2.861 1.00 31.15 C ATOM 1551 O GLU A 97 12.060 5.855 -1.705 1.00 64.50 O ATOM 1552 CB GLU A 97 13.113 7.145 -4.601 1.00 12.44 C ATOM 1553 CG GLU A 97 14.169 8.124 -5.106 1.00 22.44 C ATOM 1554 CD GLU A 97 13.483 9.084 -6.073 1.00 0.34 C ATOM 1555 OE1 GLU A 97 13.207 8.690 -7.226 1.00 32.44 O ATOM 1556 OE2 GLU A 97 13.115 10.206 -5.624 1.00 24.32 O ATOM 0 H GLU A 97 14.413 5.210 -5.194 1.00 40.20 H new ATOM 0 HA GLU A 97 14.207 6.652 -2.794 1.00 72.14 H new ATOM 0 HB2 GLU A 97 12.728 6.583 -5.452 1.00 12.44 H new ATOM 0 HB3 GLU A 97 12.279 7.716 -4.193 1.00 12.44 H new ATOM 0 HG2 GLU A 97 14.613 8.671 -4.274 1.00 22.44 H new ATOM 0 HG3 GLU A 97 14.978 7.591 -5.605 1.00 22.44 H new ATOM 1563 N ALA A 98 11.638 4.678 -3.568 1.00 53.30 N ATOM 1564 CA ALA A 98 10.468 3.997 -3.038 1.00 35.12 C ATOM 1565 C ALA A 98 10.808 3.273 -1.735 1.00 21.01 C ATOM 1566 O ALA A 98 10.069 3.375 -0.752 1.00 34.41 O ATOM 1567 CB ALA A 98 9.931 3.013 -4.082 1.00 2.53 C ATOM 0 H ALA A 98 11.858 4.425 -4.531 1.00 53.30 H new ATOM 0 HA ALA A 98 9.697 4.735 -2.817 1.00 35.12 H new ATOM 0 HB1 ALA A 98 9.054 2.503 -3.684 1.00 2.53 H new ATOM 0 HB2 ALA A 98 9.656 3.556 -4.986 1.00 2.53 H new ATOM 0 HB3 ALA A 98 10.701 2.279 -4.320 1.00 2.53 H new ATOM 1573 N ALA A 99 11.945 2.574 -1.710 1.00 65.45 N ATOM 1574 CA ALA A 99 12.421 1.912 -0.512 1.00 33.02 C ATOM 1575 C ALA A 99 12.753 2.915 0.600 1.00 52.32 C ATOM 1576 O ALA A 99 12.478 2.598 1.755 1.00 2.12 O ATOM 1577 CB ALA A 99 13.605 1.007 -0.845 1.00 33.14 C ATOM 0 H ALA A 99 12.553 2.456 -2.520 1.00 65.45 H new ATOM 0 HA ALA A 99 11.618 1.285 -0.125 1.00 33.02 H new ATOM 0 HB1 ALA A 99 13.954 0.515 0.063 1.00 33.14 H new ATOM 0 HB2 ALA A 99 13.295 0.254 -1.569 1.00 33.14 H new ATOM 0 HB3 ALA A 99 14.413 1.605 -1.267 1.00 33.14 H new ATOM 1583 N ARG A 100 13.260 4.128 0.310 1.00 71.14 N ATOM 1584 CA ARG A 100 13.432 5.162 1.345 1.00 70.10 C ATOM 1585 C ARG A 100 12.084 5.450 1.984 1.00 24.22 C ATOM 1586 O ARG A 100 11.965 5.368 3.211 1.00 53.53 O ATOM 1587 CB ARG A 100 13.984 6.502 0.812 1.00 1.34 C ATOM 1588 CG ARG A 100 15.375 6.495 0.183 1.00 13.14 C ATOM 1589 CD ARG A 100 16.416 6.188 1.255 1.00 24.30 C ATOM 1590 NE ARG A 100 17.779 6.190 0.725 1.00 33.31 N ATOM 1591 CZ ARG A 100 18.350 5.160 0.101 1.00 62.55 C ATOM 1592 NH1 ARG A 100 17.619 4.178 -0.422 1.00 32.44 N ATOM 1593 NH2 ARG A 100 19.670 5.082 0.051 1.00 11.12 N ATOM 0 H ARG A 100 13.555 4.413 -0.624 1.00 71.14 H new ATOM 0 HA ARG A 100 14.160 4.762 2.051 1.00 70.10 H new ATOM 0 HB2 ARG A 100 13.282 6.883 0.070 1.00 1.34 H new ATOM 0 HB3 ARG A 100 13.993 7.214 1.638 1.00 1.34 H new ATOM 0 HG2 ARG A 100 15.423 5.749 -0.610 1.00 13.14 H new ATOM 0 HG3 ARG A 100 15.583 7.462 -0.275 1.00 13.14 H new ATOM 0 HD2 ARG A 100 16.339 6.925 2.054 1.00 24.30 H new ATOM 0 HD3 ARG A 100 16.202 5.215 1.697 1.00 24.30 H new ATOM 0 HE ARG A 100 18.332 7.039 0.841 1.00 33.31 H new ATOM 0 HH11 ARG A 100 16.602 4.205 -0.349 1.00 32.44 H new ATOM 0 HH12 ARG A 100 18.076 3.399 -0.896 1.00 32.44 H new ATOM 0 HH21 ARG A 100 20.241 5.806 0.488 1.00 11.12 H new ATOM 0 HH22 ARG A 100 20.117 4.298 -0.424 1.00 11.12 H new ATOM 1607 N CYS A 101 11.095 5.784 1.152 1.00 2.42 N ATOM 1608 CA CYS A 101 9.757 6.160 1.564 1.00 33.34 C ATOM 1609 C CYS A 101 9.167 5.135 2.515 1.00 43.35 C ATOM 1610 O CYS A 101 8.768 5.496 3.622 1.00 31.34 O ATOM 1611 CB CYS A 101 8.880 6.367 0.327 1.00 42.21 C ATOM 1612 SG CYS A 101 9.407 7.882 -0.509 1.00 2.42 S ATOM 0 H CYS A 101 11.216 5.798 0.139 1.00 2.42 H new ATOM 0 HA CYS A 101 9.803 7.101 2.112 1.00 33.34 H new ATOM 0 HB2 CYS A 101 8.968 5.514 -0.346 1.00 42.21 H new ATOM 0 HB3 CYS A 101 7.831 6.439 0.615 1.00 42.21 H new ATOM 0 HG CYS A 101 8.931 7.898 -1.718 1.00 2.42 H new ATOM 1618 N MET A 102 9.123 3.877 2.090 1.00 61.32 N ATOM 1619 CA MET A 102 8.498 2.823 2.868 1.00 31.44 C ATOM 1620 C MET A 102 9.341 2.476 4.104 1.00 13.00 C ATOM 1621 O MET A 102 8.772 2.211 5.163 1.00 74.24 O ATOM 1622 CB MET A 102 8.276 1.600 1.977 1.00 62.22 C ATOM 1623 CG MET A 102 7.424 1.888 0.724 1.00 11.35 C ATOM 1624 SD MET A 102 5.712 2.431 0.978 1.00 44.42 S ATOM 1625 CE MET A 102 4.917 0.850 1.371 1.00 34.21 C ATOM 0 H MET A 102 9.517 3.565 1.203 1.00 61.32 H new ATOM 0 HA MET A 102 7.531 3.170 3.232 1.00 31.44 H new ATOM 0 HB2 MET A 102 9.244 1.210 1.664 1.00 62.22 H new ATOM 0 HB3 MET A 102 7.791 0.819 2.563 1.00 62.22 H new ATOM 0 HG2 MET A 102 7.935 2.652 0.139 1.00 11.35 H new ATOM 0 HG3 MET A 102 7.403 0.983 0.117 1.00 11.35 H new ATOM 0 HE1 MET A 102 3.862 1.017 1.589 1.00 34.21 H new ATOM 0 HE2 MET A 102 5.009 0.175 0.520 1.00 34.21 H new ATOM 0 HE3 MET A 102 5.401 0.405 2.240 1.00 34.21 H new ATOM 1635 N ARG A 103 10.680 2.509 4.028 1.00 33.45 N ATOM 1636 CA ARG A 103 11.561 2.232 5.171 1.00 4.11 C ATOM 1637 C ARG A 103 11.347 3.252 6.298 1.00 24.43 C ATOM 1638 O ARG A 103 11.514 2.901 7.472 1.00 33.30 O ATOM 1639 CB ARG A 103 13.024 2.181 4.680 1.00 31.41 C ATOM 1640 CG ARG A 103 14.048 1.939 5.790 1.00 41.12 C ATOM 1641 CD ARG A 103 15.462 1.998 5.207 1.00 21.51 C ATOM 1642 NE ARG A 103 16.456 2.343 6.230 1.00 35.03 N ATOM 1643 CZ ARG A 103 17.082 1.590 7.139 1.00 23.21 C ATOM 1644 NH1 ARG A 103 16.962 0.266 7.166 1.00 72.13 N ATOM 1645 NH2 ARG A 103 17.802 2.213 8.061 1.00 21.22 N ATOM 0 H ARG A 103 11.183 2.729 3.169 1.00 33.45 H new ATOM 0 HA ARG A 103 11.314 1.261 5.599 1.00 4.11 H new ATOM 0 HB2 ARG A 103 13.118 1.391 3.935 1.00 31.41 H new ATOM 0 HB3 ARG A 103 13.261 3.120 4.180 1.00 31.41 H new ATOM 0 HG2 ARG A 103 13.935 2.689 6.573 1.00 41.12 H new ATOM 0 HG3 ARG A 103 13.875 0.967 6.253 1.00 41.12 H new ATOM 0 HD2 ARG A 103 15.714 1.034 4.765 1.00 21.51 H new ATOM 0 HD3 ARG A 103 15.495 2.735 4.405 1.00 21.51 H new ATOM 0 HE ARG A 103 16.714 3.330 6.251 1.00 35.03 H new ATOM 0 HH11 ARG A 103 16.377 -0.207 6.478 1.00 72.13 H new ATOM 0 HH12 ARG A 103 17.455 -0.276 7.875 1.00 72.13 H new ATOM 0 HH21 ARG A 103 17.863 3.231 8.059 1.00 21.22 H new ATOM 0 HH22 ARG A 103 18.295 1.674 8.773 1.00 21.22 H new ATOM 1659 N SER A 104 10.967 4.494 5.985 1.00 65.01 N ATOM 1660 CA SER A 104 10.595 5.483 7.000 1.00 42.12 C ATOM 1661 C SER A 104 9.372 5.071 7.833 1.00 22.55 C ATOM 1662 O SER A 104 9.213 5.598 8.942 1.00 70.33 O ATOM 1663 CB SER A 104 10.291 6.843 6.363 1.00 75.14 C ATOM 1664 OG SER A 104 11.434 7.461 5.807 1.00 42.01 O ATOM 0 H SER A 104 10.909 4.840 5.027 1.00 65.01 H new ATOM 0 HA SER A 104 11.459 5.548 7.661 1.00 42.12 H new ATOM 0 HB2 SER A 104 9.540 6.713 5.584 1.00 75.14 H new ATOM 0 HB3 SER A 104 9.859 7.502 7.116 1.00 75.14 H new ATOM 0 HG SER A 104 11.182 8.322 5.414 1.00 42.01 H new ATOM 1670 N LEU A 105 8.494 4.189 7.334 1.00 12.22 N ATOM 1671 CA LEU A 105 7.354 3.709 8.096 1.00 51.24 C ATOM 1672 C LEU A 105 7.847 2.727 9.150 1.00 74.44 C ATOM 1673 O LEU A 105 8.546 1.768 8.816 1.00 42.52 O ATOM 1674 CB LEU A 105 6.344 3.029 7.163 1.00 32.45 C ATOM 1675 CG LEU A 105 5.070 2.569 7.888 1.00 54.50 C ATOM 1676 CD1 LEU A 105 4.328 3.723 8.565 1.00 71.44 C ATOM 1677 CD2 LEU A 105 4.129 1.948 6.869 1.00 54.14 C ATOM 0 H LEU A 105 8.562 3.796 6.395 1.00 12.22 H new ATOM 0 HA LEU A 105 6.856 4.547 8.583 1.00 51.24 H new ATOM 0 HB2 LEU A 105 6.072 3.721 6.366 1.00 32.45 H new ATOM 0 HB3 LEU A 105 6.817 2.168 6.690 1.00 32.45 H new ATOM 0 HG LEU A 105 5.372 1.859 8.658 1.00 54.50 H new ATOM 0 HD11 LEU A 105 3.436 3.341 9.062 1.00 71.44 H new ATOM 0 HD12 LEU A 105 4.980 4.193 9.301 1.00 71.44 H new ATOM 0 HD13 LEU A 105 4.038 4.459 7.815 1.00 71.44 H new ATOM 0 HD21 LEU A 105 3.219 1.616 7.369 1.00 54.14 H new ATOM 0 HD22 LEU A 105 3.876 2.687 6.109 1.00 54.14 H new ATOM 0 HD23 LEU A 105 4.616 1.094 6.397 1.00 54.14 H new ATOM 1689 N LYS A 106 7.476 2.951 10.409 1.00 14.15 N ATOM 1690 CA LYS A 106 7.764 2.022 11.492 1.00 12.24 C ATOM 1691 C LYS A 106 6.664 0.971 11.642 1.00 41.14 C ATOM 1692 O LYS A 106 6.965 -0.124 12.107 1.00 74.44 O ATOM 1693 CB LYS A 106 7.938 2.770 12.806 1.00 4.35 C ATOM 1694 CG LYS A 106 9.043 3.834 12.733 1.00 11.24 C ATOM 1695 CD LYS A 106 9.451 4.159 14.164 1.00 44.13 C ATOM 1696 CE LYS A 106 10.554 5.220 14.246 1.00 65.10 C ATOM 1697 NZ LYS A 106 10.784 5.620 15.648 1.00 2.23 N ATOM 0 H LYS A 106 6.967 3.784 10.704 1.00 14.15 H new ATOM 0 HA LYS A 106 8.693 1.510 11.240 1.00 12.24 H new ATOM 0 HB2 LYS A 106 6.996 3.247 13.077 1.00 4.35 H new ATOM 0 HB3 LYS A 106 8.174 2.059 13.597 1.00 4.35 H new ATOM 0 HG2 LYS A 106 9.896 3.464 12.164 1.00 11.24 H new ATOM 0 HG3 LYS A 106 8.683 4.728 12.223 1.00 11.24 H new ATOM 0 HD2 LYS A 106 8.577 4.508 14.715 1.00 44.13 H new ATOM 0 HD3 LYS A 106 9.794 3.248 14.654 1.00 44.13 H new ATOM 0 HE2 LYS A 106 11.476 4.828 13.818 1.00 65.10 H new ATOM 0 HE3 LYS A 106 10.273 6.091 13.655 1.00 65.10 H new ATOM 0 HZ1 LYS A 106 11.534 6.339 15.685 1.00 2.23 H new ATOM 0 HZ2 LYS A 106 9.907 6.014 16.045 1.00 2.23 H new ATOM 0 HZ3 LYS A 106 11.073 4.789 16.203 1.00 2.23 H new ATOM 1711 N ALA A 107 5.407 1.287 11.301 1.00 41.43 N ATOM 1712 CA ALA A 107 4.302 0.334 11.401 1.00 61.23 C ATOM 1713 C ALA A 107 4.580 -0.887 10.501 1.00 32.21 C ATOM 1714 O ALA A 107 5.167 -0.711 9.430 1.00 72.54 O ATOM 1715 CB ALA A 107 2.982 1.015 11.017 1.00 22.41 C ATOM 0 H ALA A 107 5.133 2.205 10.951 1.00 41.43 H new ATOM 0 HA ALA A 107 4.216 -0.013 12.431 1.00 61.23 H new ATOM 0 HB1 ALA A 107 2.166 0.297 11.095 1.00 22.41 H new ATOM 0 HB2 ALA A 107 2.795 1.851 11.690 1.00 22.41 H new ATOM 0 HB3 ALA A 107 3.046 1.381 9.992 1.00 22.41 H new ATOM 1721 N PRO A 108 4.177 -2.106 10.905 1.00 52.42 N ATOM 1722 CA PRO A 108 4.521 -3.331 10.201 1.00 72.02 C ATOM 1723 C PRO A 108 3.711 -3.456 8.906 1.00 34.44 C ATOM 1724 O PRO A 108 2.564 -3.908 8.893 1.00 32.43 O ATOM 1725 CB PRO A 108 4.269 -4.466 11.191 1.00 13.33 C ATOM 1726 CG PRO A 108 3.206 -3.917 12.139 1.00 63.03 C ATOM 1727 CD PRO A 108 3.470 -2.414 12.139 1.00 32.00 C ATOM 0 HA PRO A 108 5.562 -3.351 9.879 1.00 72.02 H new ATOM 0 HB2 PRO A 108 3.922 -5.366 10.683 1.00 13.33 H new ATOM 0 HB3 PRO A 108 5.179 -4.734 11.728 1.00 13.33 H new ATOM 0 HG2 PRO A 108 2.199 -4.148 11.790 1.00 63.03 H new ATOM 0 HG3 PRO A 108 3.302 -4.341 13.138 1.00 63.03 H new ATOM 0 HD2 PRO A 108 2.534 -1.858 12.196 1.00 32.00 H new ATOM 0 HD3 PRO A 108 4.065 -2.127 13.006 1.00 32.00 H new ATOM 1735 N ALA A 109 4.312 -3.030 7.803 1.00 64.11 N ATOM 1736 CA ALA A 109 3.715 -2.991 6.488 1.00 14.22 C ATOM 1737 C ALA A 109 4.414 -4.042 5.651 1.00 72.45 C ATOM 1738 O ALA A 109 5.583 -3.868 5.302 1.00 70.30 O ATOM 1739 CB ALA A 109 3.877 -1.592 5.891 1.00 23.11 C ATOM 0 H ALA A 109 5.273 -2.688 7.808 1.00 64.11 H new ATOM 0 HA ALA A 109 2.646 -3.202 6.524 1.00 14.22 H new ATOM 0 HB1 ALA A 109 3.426 -1.565 4.899 1.00 23.11 H new ATOM 0 HB2 ALA A 109 3.384 -0.863 6.534 1.00 23.11 H new ATOM 0 HB3 ALA A 109 4.937 -1.350 5.814 1.00 23.11 H new ATOM 1745 N VAL A 110 3.713 -5.124 5.333 1.00 32.44 N ATOM 1746 CA VAL A 110 4.131 -6.029 4.272 1.00 31.13 C ATOM 1747 C VAL A 110 4.119 -5.202 2.981 1.00 61.02 C ATOM 1748 O VAL A 110 3.255 -4.336 2.788 1.00 41.13 O ATOM 1749 CB VAL A 110 3.211 -7.268 4.213 1.00 4.22 C ATOM 1750 CG1 VAL A 110 3.702 -8.327 3.213 1.00 21.53 C ATOM 1751 CG2 VAL A 110 3.121 -7.951 5.585 1.00 24.10 C ATOM 0 H VAL A 110 2.847 -5.396 5.799 1.00 32.44 H new ATOM 0 HA VAL A 110 5.130 -6.431 4.442 1.00 31.13 H new ATOM 0 HB VAL A 110 2.239 -6.892 3.894 1.00 4.22 H new ATOM 0 HG11 VAL A 110 3.016 -9.174 3.215 1.00 21.53 H new ATOM 0 HG12 VAL A 110 3.741 -7.893 2.214 1.00 21.53 H new ATOM 0 HG13 VAL A 110 4.697 -8.665 3.501 1.00 21.53 H new ATOM 0 HG21 VAL A 110 2.467 -8.820 5.516 1.00 24.10 H new ATOM 0 HG22 VAL A 110 4.115 -8.268 5.899 1.00 24.10 H new ATOM 0 HG23 VAL A 110 2.716 -7.250 6.315 1.00 24.10 H new ATOM 1761 N VAL A 111 5.105 -5.436 2.118 1.00 52.40 N ATOM 1762 CA VAL A 111 5.199 -4.790 0.818 1.00 70.43 C ATOM 1763 C VAL A 111 5.436 -5.896 -0.193 1.00 75.12 C ATOM 1764 O VAL A 111 6.236 -6.793 0.069 1.00 34.30 O ATOM 1765 CB VAL A 111 6.259 -3.671 0.802 1.00 2.10 C ATOM 1766 CG1 VAL A 111 6.442 -3.066 -0.599 1.00 2.10 C ATOM 1767 CG2 VAL A 111 5.834 -2.535 1.748 1.00 12.54 C ATOM 0 H VAL A 111 5.867 -6.087 2.307 1.00 52.40 H new ATOM 0 HA VAL A 111 4.280 -4.263 0.562 1.00 70.43 H new ATOM 0 HB VAL A 111 7.199 -4.123 1.120 1.00 2.10 H new ATOM 0 HG11 VAL A 111 7.198 -2.282 -0.561 1.00 2.10 H new ATOM 0 HG12 VAL A 111 6.761 -3.844 -1.293 1.00 2.10 H new ATOM 0 HG13 VAL A 111 5.497 -2.642 -0.939 1.00 2.10 H new ATOM 0 HG21 VAL A 111 6.587 -1.747 1.732 1.00 12.54 H new ATOM 0 HG22 VAL A 111 4.877 -2.128 1.421 1.00 12.54 H new ATOM 0 HG23 VAL A 111 5.736 -2.923 2.762 1.00 12.54 H new ATOM 1777 N SER A 112 4.738 -5.859 -1.330 1.00 5.34 N ATOM 1778 CA SER A 112 5.012 -6.784 -2.411 1.00 41.24 C ATOM 1779 C SER A 112 5.616 -6.036 -3.586 1.00 22.40 C ATOM 1780 O SER A 112 5.450 -4.819 -3.709 1.00 24.55 O ATOM 1781 CB SER A 112 3.784 -7.633 -2.762 1.00 51.33 C ATOM 1782 OG SER A 112 2.947 -7.098 -3.774 1.00 0.03 O ATOM 0 H SER A 112 3.984 -5.198 -1.518 1.00 5.34 H new ATOM 0 HA SER A 112 5.757 -7.511 -2.088 1.00 41.24 H new ATOM 0 HB2 SER A 112 4.123 -8.620 -3.078 1.00 51.33 H new ATOM 0 HB3 SER A 112 3.190 -7.774 -1.859 1.00 51.33 H new ATOM 0 HG SER A 112 2.743 -7.795 -4.432 1.00 0.03 H new ATOM 1788 N VAL A 113 6.272 -6.782 -4.466 1.00 61.43 N ATOM 1789 CA VAL A 113 6.673 -6.314 -5.776 1.00 24.32 C ATOM 1790 C VAL A 113 6.226 -7.311 -6.842 1.00 64.41 C ATOM 1791 O VAL A 113 5.706 -8.388 -6.536 1.00 73.31 O ATOM 1792 CB VAL A 113 8.182 -6.020 -5.835 1.00 43.13 C ATOM 1793 CG1 VAL A 113 8.546 -4.734 -5.074 1.00 33.20 C ATOM 1794 CG2 VAL A 113 9.036 -7.170 -5.286 1.00 52.21 C ATOM 0 H VAL A 113 6.543 -7.748 -4.280 1.00 61.43 H new ATOM 0 HA VAL A 113 6.176 -5.365 -5.979 1.00 24.32 H new ATOM 0 HB VAL A 113 8.405 -5.896 -6.895 1.00 43.13 H new ATOM 0 HG11 VAL A 113 9.621 -4.563 -5.141 1.00 33.20 H new ATOM 0 HG12 VAL A 113 8.016 -3.889 -5.514 1.00 33.20 H new ATOM 0 HG13 VAL A 113 8.259 -4.837 -4.027 1.00 33.20 H new ATOM 0 HG21 VAL A 113 10.091 -6.904 -5.354 1.00 52.21 H new ATOM 0 HG22 VAL A 113 8.774 -7.352 -4.244 1.00 52.21 H new ATOM 0 HG23 VAL A 113 8.851 -8.072 -5.870 1.00 52.21 H new ATOM 1804 N SER A 114 6.432 -6.912 -8.093 1.00 44.22 N ATOM 1805 CA SER A 114 6.031 -7.565 -9.318 1.00 71.22 C ATOM 1806 C SER A 114 6.532 -9.005 -9.402 1.00 64.12 C ATOM 1807 O SER A 114 5.756 -9.955 -9.526 1.00 22.10 O ATOM 1808 CB SER A 114 6.563 -6.717 -10.490 1.00 3.11 C ATOM 1809 OG SER A 114 7.903 -6.306 -10.236 1.00 34.33 O ATOM 0 H SER A 114 6.930 -6.043 -8.284 1.00 44.22 H new ATOM 0 HA SER A 114 4.944 -7.633 -9.355 1.00 71.22 H new ATOM 0 HB2 SER A 114 6.522 -7.295 -11.413 1.00 3.11 H new ATOM 0 HB3 SER A 114 5.928 -5.842 -10.632 1.00 3.11 H new ATOM 0 HG SER A 114 8.229 -5.770 -10.989 1.00 34.33 H new ATOM 1815 N SER A 115 7.852 -9.139 -9.358 1.00 23.43 N ATOM 1816 CA SER A 115 8.599 -10.321 -9.729 1.00 34.25 C ATOM 1817 C SER A 115 9.527 -10.688 -8.573 1.00 2.05 C ATOM 1818 O SER A 115 9.944 -9.812 -7.810 1.00 55.34 O ATOM 1819 CB SER A 115 9.394 -10.004 -10.998 1.00 51.11 C ATOM 1820 OG SER A 115 8.541 -9.722 -12.091 1.00 33.23 O ATOM 0 H SER A 115 8.458 -8.380 -9.044 1.00 23.43 H new ATOM 0 HA SER A 115 7.940 -11.166 -9.928 1.00 34.25 H new ATOM 0 HB2 SER A 115 10.046 -9.150 -10.815 1.00 51.11 H new ATOM 0 HB3 SER A 115 10.037 -10.849 -11.246 1.00 51.11 H new ATOM 0 HG SER A 115 9.081 -9.522 -12.884 1.00 33.23 H new ATOM 1826 N PRO A 116 9.906 -11.966 -8.444 1.00 23.21 N ATOM 1827 CA PRO A 116 10.609 -12.460 -7.272 1.00 44.23 C ATOM 1828 C PRO A 116 11.987 -11.818 -7.130 1.00 0.12 C ATOM 1829 O PRO A 116 12.452 -11.579 -6.018 1.00 31.40 O ATOM 1830 CB PRO A 116 10.675 -13.973 -7.464 1.00 64.41 C ATOM 1831 CG PRO A 116 10.578 -14.178 -8.965 1.00 3.34 C ATOM 1832 CD PRO A 116 9.657 -13.042 -9.385 1.00 62.12 C ATOM 0 HA PRO A 116 10.098 -12.205 -6.344 1.00 44.23 H new ATOM 0 HB2 PRO A 116 11.605 -14.382 -7.068 1.00 64.41 H new ATOM 0 HB3 PRO A 116 9.859 -14.474 -6.943 1.00 64.41 H new ATOM 0 HG2 PRO A 116 11.553 -14.112 -9.449 1.00 3.34 H new ATOM 0 HG3 PRO A 116 10.162 -15.154 -9.217 1.00 3.34 H new ATOM 0 HD2 PRO A 116 9.867 -12.725 -10.407 1.00 62.12 H new ATOM 0 HD3 PRO A 116 8.613 -13.354 -9.356 1.00 62.12 H new ATOM 1840 N ASP A 117 12.649 -11.503 -8.239 1.00 3.35 N ATOM 1841 CA ASP A 117 14.014 -10.985 -8.206 1.00 13.04 C ATOM 1842 C ASP A 117 14.039 -9.559 -7.638 1.00 61.52 C ATOM 1843 O ASP A 117 15.038 -9.113 -7.067 1.00 22.42 O ATOM 1844 CB ASP A 117 14.643 -11.001 -9.608 1.00 25.11 C ATOM 1845 CG ASP A 117 14.394 -12.269 -10.435 1.00 40.25 C ATOM 1846 OD1 ASP A 117 14.251 -13.369 -9.857 1.00 21.03 O ATOM 1847 OD2 ASP A 117 14.213 -12.140 -11.669 1.00 3.53 O ATOM 0 H ASP A 117 12.260 -11.598 -9.177 1.00 3.35 H new ATOM 0 HA ASP A 117 14.600 -11.634 -7.556 1.00 13.04 H new ATOM 0 HB2 ASP A 117 14.263 -10.145 -10.166 1.00 25.11 H new ATOM 0 HB3 ASP A 117 15.719 -10.862 -9.505 1.00 25.11 H new ATOM 1852 N ALA A 118 12.919 -8.838 -7.768 1.00 33.21 N ATOM 1853 CA ALA A 118 12.788 -7.484 -7.256 1.00 2.35 C ATOM 1854 C ALA A 118 12.669 -7.488 -5.732 1.00 31.23 C ATOM 1855 O ALA A 118 13.004 -6.483 -5.116 1.00 71.40 O ATOM 1856 CB ALA A 118 11.588 -6.772 -7.892 1.00 24.41 C ATOM 0 H ALA A 118 12.080 -9.185 -8.234 1.00 33.21 H new ATOM 0 HA ALA A 118 13.690 -6.934 -7.525 1.00 2.35 H new ATOM 0 HB1 ALA A 118 11.511 -5.761 -7.493 1.00 24.41 H new ATOM 0 HB2 ALA A 118 11.723 -6.726 -8.973 1.00 24.41 H new ATOM 0 HB3 ALA A 118 10.675 -7.322 -7.663 1.00 24.41 H new ATOM 1862 N VAL A 119 12.232 -8.595 -5.119 1.00 54.34 N ATOM 1863 CA VAL A 119 12.086 -8.733 -3.672 1.00 13.42 C ATOM 1864 C VAL A 119 13.465 -8.507 -3.051 1.00 5.11 C ATOM 1865 O VAL A 119 13.638 -7.601 -2.239 1.00 10.23 O ATOM 1866 CB VAL A 119 11.472 -10.111 -3.329 1.00 22.44 C ATOM 1867 CG1 VAL A 119 11.070 -10.275 -1.850 1.00 21.23 C ATOM 1868 CG2 VAL A 119 10.188 -10.371 -4.126 1.00 2.34 C ATOM 0 H VAL A 119 11.965 -9.436 -5.630 1.00 54.34 H new ATOM 0 HA VAL A 119 11.398 -7.995 -3.259 1.00 13.42 H new ATOM 0 HB VAL A 119 12.270 -10.811 -3.577 1.00 22.44 H new ATOM 0 HG11 VAL A 119 10.649 -11.268 -1.695 1.00 21.23 H new ATOM 0 HG12 VAL A 119 11.950 -10.152 -1.218 1.00 21.23 H new ATOM 0 HG13 VAL A 119 10.327 -9.521 -1.589 1.00 21.23 H new ATOM 0 HG21 VAL A 119 9.785 -11.348 -3.859 1.00 2.34 H new ATOM 0 HG22 VAL A 119 9.453 -9.600 -3.894 1.00 2.34 H new ATOM 0 HG23 VAL A 119 10.411 -10.350 -5.193 1.00 2.34 H new ATOM 1878 N THR A 120 14.467 -9.260 -3.510 1.00 31.34 N ATOM 1879 CA THR A 120 15.855 -9.111 -3.108 1.00 62.41 C ATOM 1880 C THR A 120 16.392 -7.709 -3.406 1.00 4.51 C ATOM 1881 O THR A 120 17.055 -7.134 -2.540 1.00 4.41 O ATOM 1882 CB THR A 120 16.678 -10.186 -3.828 1.00 15.53 C ATOM 1883 OG1 THR A 120 16.192 -11.463 -3.475 1.00 74.41 O ATOM 1884 CG2 THR A 120 18.156 -10.105 -3.448 1.00 13.42 C ATOM 0 H THR A 120 14.325 -10.008 -4.189 1.00 31.34 H new ATOM 0 HA THR A 120 15.933 -9.240 -2.028 1.00 62.41 H new ATOM 0 HB THR A 120 16.583 -10.019 -4.901 1.00 15.53 H new ATOM 0 HG1 THR A 120 16.716 -12.151 -3.936 1.00 74.41 H new ATOM 0 HG21 THR A 120 18.710 -10.881 -3.976 1.00 13.42 H new ATOM 0 HG22 THR A 120 18.549 -9.127 -3.724 1.00 13.42 H new ATOM 0 HG23 THR A 120 18.264 -10.250 -2.373 1.00 13.42 H new ATOM 1892 N THR A 121 16.120 -7.170 -4.601 1.00 75.12 N ATOM 1893 CA THR A 121 16.591 -5.848 -5.006 1.00 11.24 C ATOM 1894 C THR A 121 16.117 -4.807 -3.975 1.00 51.24 C ATOM 1895 O THR A 121 16.908 -4.055 -3.403 1.00 14.23 O ATOM 1896 CB THR A 121 16.073 -5.519 -6.423 1.00 71.51 C ATOM 1897 OG1 THR A 121 16.373 -6.501 -7.406 1.00 43.42 O ATOM 1898 CG2 THR A 121 16.653 -4.198 -6.925 1.00 53.22 C ATOM 0 H THR A 121 15.565 -7.644 -5.314 1.00 75.12 H new ATOM 0 HA THR A 121 17.680 -5.830 -5.039 1.00 11.24 H new ATOM 0 HB THR A 121 14.991 -5.473 -6.303 1.00 71.51 H new ATOM 0 HG1 THR A 121 15.836 -7.304 -7.240 1.00 43.42 H new ATOM 0 HG21 THR A 121 16.272 -3.990 -7.925 1.00 53.22 H new ATOM 0 HG22 THR A 121 16.361 -3.393 -6.251 1.00 53.22 H new ATOM 0 HG23 THR A 121 17.740 -4.267 -6.958 1.00 53.22 H new ATOM 1906 N TYR A 122 14.810 -4.795 -3.718 1.00 72.43 N ATOM 1907 CA TYR A 122 14.128 -3.881 -2.827 1.00 73.24 C ATOM 1908 C TYR A 122 14.680 -4.008 -1.402 1.00 51.45 C ATOM 1909 O TYR A 122 15.103 -3.012 -0.812 1.00 4.54 O ATOM 1910 CB TYR A 122 12.630 -4.186 -2.929 1.00 11.32 C ATOM 1911 CG TYR A 122 11.754 -3.214 -2.178 1.00 5.25 C ATOM 1912 CD1 TYR A 122 11.654 -3.301 -0.779 1.00 34.35 C ATOM 1913 CD2 TYR A 122 11.067 -2.201 -2.873 1.00 71.21 C ATOM 1914 CE1 TYR A 122 10.877 -2.372 -0.080 1.00 64.40 C ATOM 1915 CE2 TYR A 122 10.309 -1.254 -2.174 1.00 54.52 C ATOM 1916 CZ TYR A 122 10.189 -1.360 -0.775 1.00 75.12 C ATOM 1917 OH TYR A 122 9.379 -0.515 -0.097 1.00 63.04 O ATOM 0 H TYR A 122 14.172 -5.461 -4.153 1.00 72.43 H new ATOM 0 HA TYR A 122 14.295 -2.841 -3.108 1.00 73.24 H new ATOM 0 HB2 TYR A 122 12.340 -4.184 -3.980 1.00 11.32 H new ATOM 0 HB3 TYR A 122 12.448 -5.192 -2.550 1.00 11.32 H new ATOM 0 HD1 TYR A 122 12.175 -4.082 -0.246 1.00 34.35 H new ATOM 0 HD2 TYR A 122 11.125 -2.154 -3.950 1.00 71.21 H new ATOM 0 HE1 TYR A 122 10.805 -2.431 0.996 1.00 64.40 H new ATOM 0 HE2 TYR A 122 9.821 -0.449 -2.703 1.00 54.52 H new ATOM 0 HH TYR A 122 9.597 0.410 -0.337 1.00 63.04 H new ATOM 1927 N ASN A 123 14.717 -5.232 -0.860 1.00 73.21 N ATOM 1928 CA ASN A 123 15.252 -5.518 0.476 1.00 54.51 C ATOM 1929 C ASN A 123 16.726 -5.115 0.583 1.00 63.11 C ATOM 1930 O ASN A 123 17.206 -4.862 1.689 1.00 1.22 O ATOM 1931 CB ASN A 123 15.134 -7.028 0.797 1.00 33.32 C ATOM 1932 CG ASN A 123 14.283 -7.377 2.014 1.00 4.04 C ATOM 1933 OD1 ASN A 123 14.099 -6.580 2.936 1.00 75.33 O ATOM 1934 ND2 ASN A 123 13.763 -8.594 2.070 1.00 64.44 N ATOM 0 H ASN A 123 14.372 -6.061 -1.343 1.00 73.21 H new ATOM 0 HA ASN A 123 14.666 -4.937 1.188 1.00 54.51 H new ATOM 0 HB2 ASN A 123 14.717 -7.535 -0.073 1.00 33.32 H new ATOM 0 HB3 ASN A 123 16.136 -7.428 0.950 1.00 33.32 H new ATOM 0 HD21 ASN A 123 13.208 -8.875 2.878 1.00 64.44 H new ATOM 0 HD22 ASN A 123 13.918 -9.250 1.305 1.00 64.44 H new ATOM 1941 N GLY A 124 17.438 -5.056 -0.547 1.00 45.24 N ATOM 1942 CA GLY A 124 18.804 -4.584 -0.661 1.00 51.42 C ATOM 1943 C GLY A 124 18.862 -3.102 -0.331 1.00 1.13 C ATOM 1944 O GLY A 124 19.546 -2.723 0.622 1.00 73.31 O ATOM 0 H GLY A 124 17.051 -5.352 -1.443 1.00 45.24 H new ATOM 0 HA2 GLY A 124 19.450 -5.143 0.016 1.00 51.42 H new ATOM 0 HA3 GLY A 124 19.176 -4.757 -1.671 1.00 51.42 H new ATOM 1948 N TYR A 125 18.125 -2.262 -1.066 1.00 34.04 N ATOM 1949 CA TYR A 125 18.128 -0.807 -0.887 1.00 40.02 C ATOM 1950 C TYR A 125 17.770 -0.374 0.534 1.00 73.42 C ATOM 1951 O TYR A 125 18.226 0.679 0.986 1.00 0.10 O ATOM 1952 CB TYR A 125 17.111 -0.146 -1.817 1.00 13.54 C ATOM 1953 CG TYR A 125 17.439 -0.192 -3.286 1.00 70.24 C ATOM 1954 CD1 TYR A 125 18.565 0.493 -3.773 1.00 32.12 C ATOM 1955 CD2 TYR A 125 16.568 -0.837 -4.179 1.00 45.51 C ATOM 1956 CE1 TYR A 125 18.782 0.605 -5.151 1.00 42.14 C ATOM 1957 CE2 TYR A 125 16.791 -0.740 -5.561 1.00 33.24 C ATOM 1958 CZ TYR A 125 17.871 0.012 -6.046 1.00 70.31 C ATOM 1959 OH TYR A 125 17.983 0.184 -7.379 1.00 14.21 O ATOM 0 H TYR A 125 17.503 -2.578 -1.810 1.00 34.04 H new ATOM 0 HA TYR A 125 19.148 -0.494 -1.112 1.00 40.02 H new ATOM 0 HB2 TYR A 125 16.143 -0.624 -1.665 1.00 13.54 H new ATOM 0 HB3 TYR A 125 17.001 0.897 -1.521 1.00 13.54 H new ATOM 0 HD1 TYR A 125 19.266 0.935 -3.081 1.00 32.12 H new ATOM 0 HD2 TYR A 125 15.730 -1.405 -3.804 1.00 45.51 H new ATOM 0 HE1 TYR A 125 19.641 1.142 -5.525 1.00 42.14 H new ATOM 0 HE2 TYR A 125 16.131 -1.244 -6.251 1.00 33.24 H new ATOM 0 HH TYR A 125 17.264 -0.303 -7.833 1.00 14.21 H new ATOM 1969 N LEU A 126 17.003 -1.185 1.275 1.00 61.24 N ATOM 1970 CA LEU A 126 16.750 -0.950 2.689 1.00 34.12 C ATOM 1971 C LEU A 126 18.039 -0.834 3.522 1.00 24.32 C ATOM 1972 O LEU A 126 17.955 -0.354 4.651 1.00 61.24 O ATOM 1973 CB LEU A 126 15.815 -2.023 3.256 1.00 70.22 C ATOM 1974 CG LEU A 126 14.343 -1.636 3.075 1.00 40.25 C ATOM 1975 CD1 LEU A 126 13.510 -2.710 2.427 1.00 74.12 C ATOM 1976 CD2 LEU A 126 13.721 -1.323 4.426 1.00 10.44 C ATOM 0 H LEU A 126 16.545 -2.018 0.905 1.00 61.24 H new ATOM 0 HA LEU A 126 16.256 0.019 2.763 1.00 34.12 H new ATOM 0 HB2 LEU A 126 16.006 -2.974 2.759 1.00 70.22 H new ATOM 0 HB3 LEU A 126 16.027 -2.169 4.315 1.00 70.22 H new ATOM 0 HG LEU A 126 14.345 -0.768 2.416 1.00 40.25 H new ATOM 0 HD11 LEU A 126 12.481 -2.364 2.332 1.00 74.12 H new ATOM 0 HD12 LEU A 126 13.910 -2.934 1.438 1.00 74.12 H new ATOM 0 HD13 LEU A 126 13.535 -3.610 3.041 1.00 74.12 H new ATOM 0 HD21 LEU A 126 12.675 -1.049 4.290 1.00 10.44 H new ATOM 0 HD22 LEU A 126 13.785 -2.201 5.068 1.00 10.44 H new ATOM 0 HD23 LEU A 126 14.256 -0.494 4.890 1.00 10.44 H new