USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 958 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 16 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 57 THR OG1 : rot -87:sc= 1.23 USER MOD Set 2.2: A 83 MET CE :methyl -140:sc= -4.41! (180deg=-7.85!) USER MOD Set 3.1: A 27 ASN : amide:sc= -0.564 K(o=-0.89,f=1) USER MOD Set 3.2: A 32 GLN : amide:sc= -0.323 K(o=-0.89,f=1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.184 (180deg=0.0065) USER MOD Single : A 2 SER OG : rot -90:sc= -0.976 USER MOD Single : A 3 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.73) USER MOD Single : A 4 ASN : amide:sc= -0.0371 K(o=-0.037,f=-1.7!) USER MOD Single : A 6 GLN : amide:sc= -2.08 K(o=-2.1,f=-1.4) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -155:sc= -3.95 (180deg=-5.27!) USER MOD Single : A 20 SER OG : rot -78:sc= 1.23 USER MOD Single : A 25 GLN : amide:sc= -0.0012 X(o=-0.0012,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0554 USER MOD Single : A 37 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -63:sc= 0.405 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.33 USER MOD Single : A 51 ASN : amide:sc= -2.42 X(o=-2.4,f=-2.8) USER MOD Single : A 53 CYS SG : rot 135:sc= 0.605 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.567 K(o=-0.57,f=-0.051) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -76:sc= 0.911 USER MOD Single : A 77 LYS NZ :NH3+ -129:sc= 0.19 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.69 K(o=-0.69,f=-1.3!) USER MOD Single : A 86 ASN : amide:sc= 0.0657 K(o=0.066,f=-5.8!) USER MOD Single : A 87 CYS SG : rot 69:sc= 0.493 USER MOD Single : A 91 ASN : amide:sc= -0.716 X(o=-0.72,f=-0.95) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -88:sc= 0.341 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.07) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.364 0.206 -1.789 1.00 13.24 N ATOM 2 CA MET A 1 0.872 1.448 -1.203 1.00 33.44 C ATOM 3 C MET A 1 2.030 2.353 -0.794 1.00 71.54 C ATOM 4 O MET A 1 1.961 3.572 -0.947 1.00 14.01 O ATOM 5 CB MET A 1 -0.010 1.149 0.011 1.00 11.24 C ATOM 6 CG MET A 1 -1.483 1.447 -0.219 1.00 43.41 C ATOM 7 SD MET A 1 -2.342 1.914 1.296 1.00 52.54 S ATOM 8 CE MET A 1 -4.039 1.560 0.845 1.00 30.32 C ATOM 0 H1 MET A 1 0.573 -0.309 -2.227 1.00 13.24 H new ATOM 0 H2 MET A 1 2.079 0.423 -2.513 1.00 13.24 H new ATOM 0 H3 MET A 1 1.791 -0.383 -1.046 1.00 13.24 H new ATOM 0 HA MET A 1 0.278 1.966 -1.956 1.00 33.44 H new ATOM 0 HB2 MET A 1 0.102 0.099 0.281 1.00 11.24 H new ATOM 0 HB3 MET A 1 0.343 1.736 0.859 1.00 11.24 H new ATOM 0 HG2 MET A 1 -1.577 2.252 -0.948 1.00 43.41 H new ATOM 0 HG3 MET A 1 -1.965 0.569 -0.649 1.00 43.41 H new ATOM 0 HE1 MET A 1 -4.695 1.798 1.682 1.00 30.32 H new ATOM 0 HE2 MET A 1 -4.319 2.163 -0.019 1.00 30.32 H new ATOM 0 HE3 MET A 1 -4.137 0.503 0.597 1.00 30.32 H new ATOM 18 N SER A 2 3.093 1.747 -0.275 1.00 2.42 N ATOM 19 CA SER A 2 4.265 2.499 0.159 1.00 13.52 C ATOM 20 C SER A 2 3.867 3.624 1.110 1.00 14.03 C ATOM 21 O SER A 2 2.725 3.691 1.565 1.00 21.43 O ATOM 22 CB SER A 2 5.003 3.076 -1.050 1.00 3.40 C ATOM 23 OG SER A 2 4.416 2.638 -2.263 1.00 24.20 O ATOM 0 H SER A 2 3.167 0.738 -0.145 1.00 2.42 H new ATOM 0 HA SER A 2 4.929 1.816 0.689 1.00 13.52 H new ATOM 0 HB2 SER A 2 4.984 4.165 -1.006 1.00 3.40 H new ATOM 0 HB3 SER A 2 6.050 2.774 -1.019 1.00 3.40 H new ATOM 0 HG SER A 2 4.843 1.804 -2.551 1.00 24.20 H new ATOM 29 N GLN A 3 4.817 4.505 1.405 1.00 11.15 N ATOM 30 CA GLN A 3 4.566 5.627 2.303 1.00 61.41 C ATOM 31 C GLN A 3 4.981 6.944 1.657 1.00 43.22 C ATOM 32 O GLN A 3 5.938 6.994 0.885 1.00 74.44 O ATOM 33 CB GLN A 3 5.319 5.431 3.620 1.00 11.32 C ATOM 34 CG GLN A 3 4.448 5.617 4.852 1.00 33.30 C ATOM 35 CD GLN A 3 3.688 6.929 4.837 1.00 31.54 C ATOM 36 OE1 GLN A 3 2.458 6.946 4.790 1.00 14.12 O ATOM 37 NE2 GLN A 3 4.419 8.037 4.878 1.00 35.41 N ATOM 0 H GLN A 3 5.767 4.464 1.036 1.00 11.15 H new ATOM 0 HA GLN A 3 3.496 5.665 2.507 1.00 61.41 H new ATOM 0 HB2 GLN A 3 5.749 4.430 3.637 1.00 11.32 H new ATOM 0 HB3 GLN A 3 6.149 6.136 3.663 1.00 11.32 H new ATOM 0 HG2 GLN A 3 3.739 4.792 4.919 1.00 33.30 H new ATOM 0 HG3 GLN A 3 5.073 5.574 5.744 1.00 33.30 H new ATOM 0 HE21 GLN A 3 5.436 7.976 4.916 1.00 35.41 H new ATOM 0 HE22 GLN A 3 3.963 8.949 4.871 1.00 35.41 H new ATOM 46 N ASN A 4 4.255 8.010 1.978 1.00 21.13 N ATOM 47 CA ASN A 4 4.548 9.328 1.428 1.00 12.51 C ATOM 48 C ASN A 4 5.369 10.158 2.411 1.00 63.25 C ATOM 49 O ASN A 4 4.841 11.040 3.088 1.00 72.25 O ATOM 50 CB ASN A 4 3.249 10.061 1.086 1.00 12.24 C ATOM 51 CG ASN A 4 2.208 9.935 2.183 1.00 44.35 C ATOM 52 OD1 ASN A 4 1.602 8.878 2.360 1.00 44.51 O ATOM 53 ND2 ASN A 4 1.997 11.016 2.924 1.00 13.41 N ATOM 0 H ASN A 4 3.460 7.987 2.616 1.00 21.13 H new ATOM 0 HA ASN A 4 5.132 9.192 0.518 1.00 12.51 H new ATOM 0 HB2 ASN A 4 3.465 11.115 0.913 1.00 12.24 H new ATOM 0 HB3 ASN A 4 2.844 9.662 0.156 1.00 12.24 H new ATOM 0 HD21 ASN A 4 1.309 10.992 3.677 1.00 13.41 H new ATOM 0 HD22 ASN A 4 2.523 11.870 2.741 1.00 13.41 H new ATOM 60 N ARG A 5 6.664 9.869 2.482 1.00 24.51 N ATOM 61 CA ARG A 5 7.559 10.587 3.382 1.00 61.33 C ATOM 62 C ARG A 5 9.017 10.253 3.079 1.00 0.03 C ATOM 63 O ARG A 5 9.758 11.086 2.558 1.00 24.42 O ATOM 64 CB ARG A 5 7.237 10.243 4.837 1.00 23.22 C ATOM 65 CG ARG A 5 7.824 11.224 5.839 1.00 70.01 C ATOM 66 CD ARG A 5 7.778 10.670 7.254 1.00 34.32 C ATOM 67 NE ARG A 5 9.040 10.868 7.961 1.00 20.22 N ATOM 68 CZ ARG A 5 9.161 10.797 9.282 1.00 5.11 C ATOM 69 NH1 ARG A 5 8.103 10.534 10.035 1.00 34.04 N ATOM 70 NH2 ARG A 5 10.344 10.989 9.852 1.00 2.31 N ATOM 0 H ARG A 5 7.117 9.143 1.927 1.00 24.51 H new ATOM 0 HA ARG A 5 7.409 11.656 3.227 1.00 61.33 H new ATOM 0 HB2 ARG A 5 6.155 10.212 4.963 1.00 23.22 H new ATOM 0 HB3 ARG A 5 7.613 9.244 5.057 1.00 23.22 H new ATOM 0 HG2 ARG A 5 8.856 11.448 5.568 1.00 70.01 H new ATOM 0 HG3 ARG A 5 7.272 12.163 5.797 1.00 70.01 H new ATOM 0 HD2 ARG A 5 6.973 11.154 7.807 1.00 34.32 H new ATOM 0 HD3 ARG A 5 7.545 9.606 7.219 1.00 34.32 H new ATOM 0 HE ARG A 5 9.874 11.072 7.411 1.00 20.22 H new ATOM 0 HH11 ARG A 5 7.192 10.385 9.601 1.00 34.04 H new ATOM 0 HH12 ARG A 5 8.199 10.480 11.049 1.00 34.04 H new ATOM 0 HH21 ARG A 5 11.161 11.191 9.276 1.00 2.31 H new ATOM 0 HH22 ARG A 5 10.436 10.934 10.866 1.00 2.31 H new ATOM 84 N GLN A 6 9.420 9.031 3.411 1.00 71.53 N ATOM 85 CA GLN A 6 10.789 8.588 3.176 1.00 42.04 C ATOM 86 C GLN A 6 10.811 7.212 2.518 1.00 43.34 C ATOM 87 O GLN A 6 9.865 6.435 2.648 1.00 74.04 O ATOM 88 CB GLN A 6 11.568 8.550 4.491 1.00 22.34 C ATOM 89 CG GLN A 6 11.457 7.223 5.226 1.00 41.42 C ATOM 90 CD GLN A 6 10.025 6.864 5.568 1.00 73.10 C ATOM 91 OE1 GLN A 6 9.294 7.664 6.153 1.00 5.23 O ATOM 92 NE2 GLN A 6 9.614 5.655 5.204 1.00 63.24 N ATOM 0 H GLN A 6 8.818 8.330 3.843 1.00 71.53 H new ATOM 0 HA GLN A 6 11.264 9.301 2.501 1.00 42.04 H new ATOM 0 HB2 GLN A 6 12.619 8.756 4.287 1.00 22.34 H new ATOM 0 HB3 GLN A 6 11.207 9.347 5.141 1.00 22.34 H new ATOM 0 HG2 GLN A 6 11.888 6.434 4.610 1.00 41.42 H new ATOM 0 HG3 GLN A 6 12.045 7.269 6.143 1.00 41.42 H new ATOM 0 HE21 GLN A 6 10.253 5.023 4.721 1.00 63.24 H new ATOM 0 HE22 GLN A 6 8.660 5.358 5.407 1.00 63.24 H new ATOM 101 N LEU A 7 11.897 6.918 1.811 1.00 73.42 N ATOM 102 CA LEU A 7 12.042 5.635 1.131 1.00 24.25 C ATOM 103 C LEU A 7 13.180 4.822 1.741 1.00 33.33 C ATOM 104 O LEU A 7 14.303 5.309 1.877 1.00 53.41 O ATOM 105 CB LEU A 7 12.299 5.852 -0.361 1.00 34.11 C ATOM 106 CG LEU A 7 11.100 5.638 -1.286 1.00 12.42 C ATOM 107 CD1 LEU A 7 10.907 4.158 -1.576 1.00 54.23 C ATOM 108 CD2 LEU A 7 9.840 6.232 -0.672 1.00 2.11 C ATOM 0 H LEU A 7 12.689 7.550 1.694 1.00 73.42 H new ATOM 0 HA LEU A 7 11.113 5.078 1.256 1.00 24.25 H new ATOM 0 HB2 LEU A 7 12.665 6.869 -0.502 1.00 34.11 H new ATOM 0 HB3 LEU A 7 13.098 5.180 -0.673 1.00 34.11 H new ATOM 0 HG LEU A 7 11.297 6.149 -2.228 1.00 12.42 H new ATOM 0 HD11 LEU A 7 10.049 4.025 -2.236 1.00 54.23 H new ATOM 0 HD12 LEU A 7 11.801 3.762 -2.059 1.00 54.23 H new ATOM 0 HD13 LEU A 7 10.732 3.624 -0.642 1.00 54.23 H new ATOM 0 HD21 LEU A 7 8.997 6.071 -1.344 1.00 2.11 H new ATOM 0 HD22 LEU A 7 9.639 5.750 0.285 1.00 2.11 H new ATOM 0 HD23 LEU A 7 9.980 7.302 -0.517 1.00 2.11 H new ATOM 120 N LEU A 8 12.882 3.579 2.106 1.00 44.33 N ATOM 121 CA LEU A 8 13.881 2.696 2.699 1.00 13.53 C ATOM 122 C LEU A 8 15.095 2.557 1.787 1.00 5.24 C ATOM 123 O LEU A 8 16.205 2.948 2.151 1.00 41.34 O ATOM 124 CB LEU A 8 13.274 1.319 2.973 1.00 12.32 C ATOM 125 CG LEU A 8 14.007 0.455 4.000 1.00 52.02 C ATOM 126 CD1 LEU A 8 14.117 1.184 5.330 1.00 43.12 C ATOM 127 CD2 LEU A 8 13.297 -0.879 4.178 1.00 14.00 C ATOM 0 H LEU A 8 11.958 3.160 2.002 1.00 44.33 H new ATOM 0 HA LEU A 8 14.207 3.137 3.641 1.00 13.53 H new ATOM 0 HB2 LEU A 8 12.247 1.457 3.311 1.00 12.32 H new ATOM 0 HB3 LEU A 8 13.229 0.770 2.032 1.00 12.32 H new ATOM 0 HG LEU A 8 15.014 0.262 3.631 1.00 52.02 H new ATOM 0 HD11 LEU A 8 14.641 0.554 6.048 1.00 43.12 H new ATOM 0 HD12 LEU A 8 14.670 2.113 5.191 1.00 43.12 H new ATOM 0 HD13 LEU A 8 13.119 1.409 5.705 1.00 43.12 H new ATOM 0 HD21 LEU A 8 13.832 -1.481 4.912 1.00 14.00 H new ATOM 0 HD22 LEU A 8 12.278 -0.706 4.524 1.00 14.00 H new ATOM 0 HD23 LEU A 8 13.271 -1.407 3.225 1.00 14.00 H new ATOM 139 N TYR A 9 14.878 2.000 0.602 1.00 74.24 N ATOM 140 CA TYR A 9 15.955 1.809 -0.363 1.00 35.24 C ATOM 141 C TYR A 9 15.435 1.150 -1.637 1.00 33.35 C ATOM 142 O TYR A 9 15.655 -0.035 -1.888 1.00 31.45 O ATOM 143 CB TYR A 9 17.069 0.957 0.248 1.00 73.23 C ATOM 144 CG TYR A 9 18.312 1.744 0.595 1.00 41.14 C ATOM 145 CD1 TYR A 9 18.952 2.525 -0.359 1.00 45.33 C ATOM 146 CD2 TYR A 9 18.846 1.707 1.877 1.00 51.30 C ATOM 147 CE1 TYR A 9 20.089 3.245 -0.047 1.00 1.42 C ATOM 148 CE2 TYR A 9 19.981 2.425 2.199 1.00 43.51 C ATOM 149 CZ TYR A 9 20.600 3.193 1.234 1.00 75.55 C ATOM 150 OH TYR A 9 21.731 3.910 1.549 1.00 32.41 O ATOM 0 H TYR A 9 13.965 1.672 0.285 1.00 74.24 H new ATOM 0 HA TYR A 9 16.356 2.789 -0.621 1.00 35.24 H new ATOM 0 HB2 TYR A 9 16.692 0.473 1.149 1.00 73.23 H new ATOM 0 HB3 TYR A 9 17.334 0.165 -0.452 1.00 73.23 H new ATOM 0 HD1 TYR A 9 18.554 2.570 -1.362 1.00 45.33 H new ATOM 0 HD2 TYR A 9 18.365 1.106 2.635 1.00 51.30 H new ATOM 0 HE1 TYR A 9 20.575 3.845 -0.802 1.00 1.42 H new ATOM 0 HE2 TYR A 9 20.382 2.386 3.201 1.00 43.51 H new ATOM 0 HH TYR A 9 21.958 3.765 2.491 1.00 32.41 H new ATOM 160 N PRO A 10 14.728 1.936 -2.462 1.00 34.30 N ATOM 161 CA PRO A 10 14.162 1.452 -3.725 1.00 21.32 C ATOM 162 C PRO A 10 15.236 1.158 -4.766 1.00 64.12 C ATOM 163 O PRO A 10 16.001 2.043 -5.150 1.00 1.34 O ATOM 164 CB PRO A 10 13.275 2.612 -4.184 1.00 22.20 C ATOM 165 CG PRO A 10 13.870 3.819 -3.545 1.00 15.03 C ATOM 166 CD PRO A 10 14.426 3.358 -2.226 1.00 64.32 C ATOM 0 HA PRO A 10 13.625 0.512 -3.598 1.00 21.32 H new ATOM 0 HB2 PRO A 10 13.270 2.701 -5.270 1.00 22.20 H new ATOM 0 HB3 PRO A 10 12.241 2.468 -3.871 1.00 22.20 H new ATOM 0 HG2 PRO A 10 14.654 4.246 -4.171 1.00 15.03 H new ATOM 0 HG3 PRO A 10 13.118 4.595 -3.402 1.00 15.03 H new ATOM 0 HD2 PRO A 10 15.319 3.918 -1.949 1.00 64.32 H new ATOM 0 HD3 PRO A 10 13.705 3.487 -1.419 1.00 64.32 H new ATOM 174 N ARG A 11 15.288 -0.090 -5.220 1.00 42.05 N ATOM 175 CA ARG A 11 16.270 -0.500 -6.217 1.00 72.04 C ATOM 176 C ARG A 11 16.118 -1.981 -6.553 1.00 54.33 C ATOM 177 O ARG A 11 16.340 -2.394 -7.691 1.00 21.54 O ATOM 178 CB ARG A 11 17.687 -0.224 -5.712 1.00 41.23 C ATOM 179 CG ARG A 11 17.868 -0.493 -4.227 1.00 52.04 C ATOM 180 CD ARG A 11 19.337 -0.626 -3.860 1.00 65.11 C ATOM 181 NE ARG A 11 19.582 -1.771 -2.987 1.00 70.24 N ATOM 182 CZ ARG A 11 20.793 -2.150 -2.593 1.00 52.35 C ATOM 183 NH1 ARG A 11 21.864 -1.477 -2.992 1.00 74.22 N ATOM 184 NH2 ARG A 11 20.934 -3.203 -1.799 1.00 3.24 N ATOM 0 H ARG A 11 14.662 -0.835 -4.913 1.00 42.05 H new ATOM 0 HA ARG A 11 16.095 0.081 -7.123 1.00 72.04 H new ATOM 0 HB2 ARG A 11 18.390 -0.840 -6.272 1.00 41.23 H new ATOM 0 HB3 ARG A 11 17.941 0.816 -5.918 1.00 41.23 H new ATOM 0 HG2 ARG A 11 17.420 0.318 -3.652 1.00 52.04 H new ATOM 0 HG3 ARG A 11 17.340 -1.407 -3.955 1.00 52.04 H new ATOM 0 HD2 ARG A 11 19.930 -0.730 -4.769 1.00 65.11 H new ATOM 0 HD3 ARG A 11 19.671 0.286 -3.364 1.00 65.11 H new ATOM 0 HE ARG A 11 18.779 -2.309 -2.662 1.00 70.24 H new ATOM 0 HH11 ARG A 11 21.759 -0.667 -3.603 1.00 74.22 H new ATOM 0 HH12 ARG A 11 22.793 -1.770 -2.688 1.00 74.22 H new ATOM 0 HH21 ARG A 11 20.112 -3.723 -1.490 1.00 3.24 H new ATOM 0 HH22 ARG A 11 21.864 -3.493 -1.497 1.00 3.24 H new ATOM 198 N GLU A 12 15.738 -2.773 -5.555 1.00 54.35 N ATOM 199 CA GLU A 12 15.557 -4.207 -5.746 1.00 24.12 C ATOM 200 C GLU A 12 14.626 -4.487 -6.921 1.00 74.14 C ATOM 201 O GLU A 12 14.732 -5.523 -7.577 1.00 51.12 O ATOM 202 CB GLU A 12 14.997 -4.847 -4.473 1.00 44.55 C ATOM 203 CG GLU A 12 15.202 -6.351 -4.407 1.00 50.34 C ATOM 204 CD GLU A 12 16.654 -6.750 -4.585 1.00 71.42 C ATOM 205 OE1 GLU A 12 17.465 -6.459 -3.682 1.00 0.41 O ATOM 206 OE2 GLU A 12 16.978 -7.356 -5.628 1.00 44.44 O ATOM 0 H GLU A 12 15.550 -2.446 -4.607 1.00 54.35 H new ATOM 0 HA GLU A 12 16.531 -4.644 -5.966 1.00 24.12 H new ATOM 0 HB2 GLU A 12 15.470 -4.386 -3.606 1.00 44.55 H new ATOM 0 HB3 GLU A 12 13.931 -4.631 -4.407 1.00 44.55 H new ATOM 0 HG2 GLU A 12 14.842 -6.721 -3.447 1.00 50.34 H new ATOM 0 HG3 GLU A 12 14.600 -6.830 -5.179 1.00 50.34 H new ATOM 213 N GLU A 13 13.713 -3.556 -7.180 1.00 72.03 N ATOM 214 CA GLU A 13 12.762 -3.703 -8.276 1.00 35.54 C ATOM 215 C GLU A 13 13.411 -3.355 -9.611 1.00 45.54 C ATOM 216 O GLU A 13 13.307 -4.107 -10.580 1.00 25.15 O ATOM 217 CB GLU A 13 11.539 -2.813 -8.043 1.00 3.15 C ATOM 218 CG GLU A 13 11.052 -2.813 -6.603 1.00 51.24 C ATOM 219 CD GLU A 13 11.224 -1.465 -5.929 1.00 73.43 C ATOM 220 OE1 GLU A 13 12.158 -0.728 -6.308 1.00 23.42 O ATOM 221 OE2 GLU A 13 10.425 -1.148 -5.024 1.00 34.11 O ATOM 0 H GLU A 13 13.612 -2.693 -6.646 1.00 72.03 H new ATOM 0 HA GLU A 13 12.443 -4.745 -8.308 1.00 35.54 H new ATOM 0 HB2 GLU A 13 11.782 -1.792 -8.335 1.00 3.15 H new ATOM 0 HB3 GLU A 13 10.729 -3.146 -8.692 1.00 3.15 H new ATOM 0 HG2 GLU A 13 9.999 -3.095 -6.579 1.00 51.24 H new ATOM 0 HG3 GLU A 13 11.598 -3.569 -6.039 1.00 51.24 H new ATOM 228 N MET A 14 14.081 -2.208 -9.655 1.00 43.51 N ATOM 229 CA MET A 14 14.749 -1.759 -10.871 1.00 52.45 C ATOM 230 C MET A 14 15.630 -2.863 -11.447 1.00 51.32 C ATOM 231 O MET A 14 15.517 -3.211 -12.623 1.00 21.25 O ATOM 232 CB MET A 14 15.592 -0.514 -10.587 1.00 14.14 C ATOM 233 CG MET A 14 16.514 -0.130 -11.732 1.00 2.41 C ATOM 234 SD MET A 14 18.245 -0.494 -11.382 1.00 0.23 S ATOM 235 CE MET A 14 18.622 -1.645 -12.701 1.00 23.32 C ATOM 0 H MET A 14 14.176 -1.573 -8.863 1.00 43.51 H new ATOM 0 HA MET A 14 13.983 -1.510 -11.605 1.00 52.45 H new ATOM 0 HB2 MET A 14 14.928 0.323 -10.370 1.00 14.14 H new ATOM 0 HB3 MET A 14 16.190 -0.687 -9.692 1.00 14.14 H new ATOM 0 HG2 MET A 14 16.210 -0.663 -12.633 1.00 2.41 H new ATOM 0 HG3 MET A 14 16.405 0.935 -11.939 1.00 2.41 H new ATOM 0 HE1 MET A 14 19.450 -2.286 -12.399 1.00 23.32 H new ATOM 0 HE2 MET A 14 17.746 -2.259 -12.910 1.00 23.32 H new ATOM 0 HE3 MET A 14 18.900 -1.092 -13.598 1.00 23.32 H new ATOM 245 N VAL A 15 16.508 -3.409 -10.612 1.00 34.51 N ATOM 246 CA VAL A 15 17.407 -4.475 -11.038 1.00 4.31 C ATOM 247 C VAL A 15 16.633 -5.637 -11.648 1.00 33.31 C ATOM 248 O VAL A 15 17.140 -6.346 -12.517 1.00 75.41 O ATOM 249 CB VAL A 15 18.255 -4.997 -9.863 1.00 32.13 C ATOM 250 CG1 VAL A 15 19.151 -3.895 -9.319 1.00 14.25 C ATOM 251 CG2 VAL A 15 17.359 -5.557 -8.768 1.00 1.42 C ATOM 0 H VAL A 15 16.616 -3.131 -9.637 1.00 34.51 H new ATOM 0 HA VAL A 15 18.068 -4.048 -11.792 1.00 4.31 H new ATOM 0 HB VAL A 15 18.892 -5.803 -10.227 1.00 32.13 H new ATOM 0 HG11 VAL A 15 19.742 -4.283 -8.490 1.00 14.25 H new ATOM 0 HG12 VAL A 15 19.818 -3.546 -10.107 1.00 14.25 H new ATOM 0 HG13 VAL A 15 18.536 -3.066 -8.970 1.00 14.25 H new ATOM 0 HG21 VAL A 15 17.974 -5.922 -7.945 1.00 1.42 H new ATOM 0 HG22 VAL A 15 16.695 -4.773 -8.405 1.00 1.42 H new ATOM 0 HG23 VAL A 15 16.765 -6.379 -9.169 1.00 1.42 H new ATOM 261 N SER A 16 15.401 -5.827 -11.187 1.00 35.02 N ATOM 262 CA SER A 16 14.556 -6.906 -11.685 1.00 33.33 C ATOM 263 C SER A 16 14.259 -6.723 -13.170 1.00 12.31 C ATOM 264 O SER A 16 14.458 -7.636 -13.973 1.00 4.55 O ATOM 265 CB SER A 16 13.247 -6.964 -10.895 1.00 11.14 C ATOM 266 OG SER A 16 12.796 -8.300 -10.751 1.00 5.35 O ATOM 0 H SER A 16 14.966 -5.248 -10.469 1.00 35.02 H new ATOM 0 HA SER A 16 15.094 -7.845 -11.553 1.00 33.33 H new ATOM 0 HB2 SER A 16 13.393 -6.518 -9.911 1.00 11.14 H new ATOM 0 HB3 SER A 16 12.485 -6.373 -11.403 1.00 11.14 H new ATOM 0 HG SER A 16 11.959 -8.310 -10.241 1.00 5.35 H new ATOM 272 N LEU A 17 13.781 -5.536 -13.529 1.00 35.53 N ATOM 273 CA LEU A 17 13.455 -5.231 -14.918 1.00 2.15 C ATOM 274 C LEU A 17 14.671 -5.426 -15.817 1.00 44.22 C ATOM 275 O LEU A 17 14.652 -6.244 -16.737 1.00 20.45 O ATOM 276 CB LEU A 17 12.943 -3.795 -15.038 1.00 15.32 C ATOM 277 CG LEU A 17 11.720 -3.445 -14.188 1.00 61.13 C ATOM 278 CD1 LEU A 17 10.868 -4.681 -13.945 1.00 52.12 C ATOM 279 CD2 LEU A 17 12.149 -2.822 -12.868 1.00 31.44 C ATOM 0 H LEU A 17 13.611 -4.770 -12.878 1.00 35.53 H new ATOM 0 HA LEU A 17 12.673 -5.917 -15.242 1.00 2.15 H new ATOM 0 HB2 LEU A 17 13.754 -3.118 -14.769 1.00 15.32 H new ATOM 0 HB3 LEU A 17 12.701 -3.603 -16.083 1.00 15.32 H new ATOM 0 HG LEU A 17 11.119 -2.716 -14.732 1.00 61.13 H new ATOM 0 HD11 LEU A 17 10.003 -4.413 -13.339 1.00 52.12 H new ATOM 0 HD12 LEU A 17 10.531 -5.084 -14.900 1.00 52.12 H new ATOM 0 HD13 LEU A 17 11.459 -5.433 -13.422 1.00 52.12 H new ATOM 0 HD21 LEU A 17 11.266 -2.579 -12.276 1.00 31.44 H new ATOM 0 HD22 LEU A 17 12.772 -3.528 -12.318 1.00 31.44 H new ATOM 0 HD23 LEU A 17 12.717 -1.912 -13.063 1.00 31.44 H new ATOM 291 N VAL A 18 15.730 -4.669 -15.545 1.00 20.42 N ATOM 292 CA VAL A 18 16.957 -4.761 -16.327 1.00 71.02 C ATOM 293 C VAL A 18 17.417 -6.208 -16.460 1.00 24.33 C ATOM 294 O VAL A 18 18.002 -6.594 -17.472 1.00 23.11 O ATOM 295 CB VAL A 18 18.089 -3.929 -15.695 1.00 71.44 C ATOM 296 CG1 VAL A 18 18.443 -4.469 -14.318 1.00 42.21 C ATOM 297 CG2 VAL A 18 19.310 -3.917 -16.602 1.00 41.34 C ATOM 0 H VAL A 18 15.762 -3.985 -14.789 1.00 20.42 H new ATOM 0 HA VAL A 18 16.732 -4.362 -17.316 1.00 71.02 H new ATOM 0 HB VAL A 18 17.741 -2.903 -15.578 1.00 71.44 H new ATOM 0 HG11 VAL A 18 19.244 -3.869 -13.887 1.00 42.21 H new ATOM 0 HG12 VAL A 18 17.566 -4.421 -13.672 1.00 42.21 H new ATOM 0 HG13 VAL A 18 18.772 -5.504 -14.407 1.00 42.21 H new ATOM 0 HG21 VAL A 18 20.100 -3.325 -16.141 1.00 41.34 H new ATOM 0 HG22 VAL A 18 19.662 -4.938 -16.752 1.00 41.34 H new ATOM 0 HG23 VAL A 18 19.044 -3.480 -17.564 1.00 41.34 H new ATOM 307 N ARG A 19 17.149 -7.005 -15.431 1.00 21.34 N ATOM 308 CA ARG A 19 17.537 -8.411 -15.432 1.00 14.25 C ATOM 309 C ARG A 19 16.679 -9.210 -16.408 1.00 64.52 C ATOM 310 O ARG A 19 17.170 -10.115 -17.084 1.00 43.41 O ATOM 311 CB ARG A 19 17.408 -8.998 -14.025 1.00 24.12 C ATOM 312 CG ARG A 19 18.712 -8.998 -13.244 1.00 2.25 C ATOM 313 CD ARG A 19 19.513 -10.266 -13.496 1.00 1.41 C ATOM 314 NE ARG A 19 19.026 -11.389 -12.699 1.00 51.52 N ATOM 315 CZ ARG A 19 19.722 -12.501 -12.494 1.00 4.10 C ATOM 316 NH1 ARG A 19 20.930 -12.638 -13.024 1.00 21.13 N ATOM 317 NH2 ARG A 19 19.211 -13.479 -11.757 1.00 41.30 N ATOM 0 H ARG A 19 16.665 -6.702 -14.586 1.00 21.34 H new ATOM 0 HA ARG A 19 18.577 -8.475 -15.752 1.00 14.25 H new ATOM 0 HB2 ARG A 19 16.662 -8.429 -13.470 1.00 24.12 H new ATOM 0 HB3 ARG A 19 17.039 -10.021 -14.099 1.00 24.12 H new ATOM 0 HG2 ARG A 19 19.306 -8.129 -13.526 1.00 2.25 H new ATOM 0 HG3 ARG A 19 18.499 -8.906 -12.179 1.00 2.25 H new ATOM 0 HD2 ARG A 19 19.461 -10.523 -14.554 1.00 1.41 H new ATOM 0 HD3 ARG A 19 20.562 -10.084 -13.263 1.00 1.41 H new ATOM 0 HE ARG A 19 18.100 -11.315 -12.277 1.00 51.52 H new ATOM 0 HH11 ARG A 19 21.326 -11.888 -13.591 1.00 21.13 H new ATOM 0 HH12 ARG A 19 21.463 -13.493 -12.865 1.00 21.13 H new ATOM 0 HH21 ARG A 19 18.283 -13.377 -11.347 1.00 41.30 H new ATOM 0 HH22 ARG A 19 19.747 -14.333 -11.600 1.00 41.30 H new ATOM 331 N SER A 20 15.396 -8.871 -16.476 1.00 61.13 N ATOM 332 CA SER A 20 14.469 -9.560 -17.367 1.00 24.12 C ATOM 333 C SER A 20 14.897 -9.403 -18.823 1.00 12.31 C ATOM 334 O SER A 20 14.649 -10.278 -19.653 1.00 71.21 O ATOM 335 CB SER A 20 13.051 -9.019 -17.179 1.00 33.25 C ATOM 336 OG SER A 20 12.865 -7.813 -17.899 1.00 0.02 O ATOM 0 H SER A 20 14.974 -8.123 -15.925 1.00 61.13 H new ATOM 0 HA SER A 20 14.482 -10.620 -17.115 1.00 24.12 H new ATOM 0 HB2 SER A 20 12.328 -9.762 -17.515 1.00 33.25 H new ATOM 0 HB3 SER A 20 12.862 -8.846 -16.119 1.00 33.25 H new ATOM 0 HG SER A 20 13.280 -7.072 -17.409 1.00 0.02 H new ATOM 342 N LEU A 21 15.540 -8.281 -19.126 1.00 2.32 N ATOM 343 CA LEU A 21 16.003 -8.007 -20.482 1.00 3.42 C ATOM 344 C LEU A 21 17.511 -8.207 -20.593 1.00 62.43 C ATOM 345 O LEU A 21 18.224 -8.200 -19.590 1.00 23.22 O ATOM 346 CB LEU A 21 15.636 -6.578 -20.888 1.00 60.32 C ATOM 347 CG LEU A 21 16.417 -5.461 -20.195 1.00 61.41 C ATOM 348 CD1 LEU A 21 17.265 -4.699 -21.201 1.00 54.35 C ATOM 349 CD2 LEU A 21 15.469 -4.518 -19.470 1.00 55.21 C ATOM 0 H LEU A 21 15.753 -7.546 -18.451 1.00 2.32 H new ATOM 0 HA LEU A 21 15.511 -8.708 -21.156 1.00 3.42 H new ATOM 0 HB2 LEU A 21 15.778 -6.480 -21.964 1.00 60.32 H new ATOM 0 HB3 LEU A 21 14.574 -6.427 -20.692 1.00 60.32 H new ATOM 0 HG LEU A 21 17.082 -5.912 -19.458 1.00 61.41 H new ATOM 0 HD11 LEU A 21 17.814 -3.908 -20.689 1.00 54.35 H new ATOM 0 HD12 LEU A 21 17.970 -5.382 -21.674 1.00 54.35 H new ATOM 0 HD13 LEU A 21 16.620 -4.260 -21.962 1.00 54.35 H new ATOM 0 HD21 LEU A 21 16.042 -3.729 -18.983 1.00 55.21 H new ATOM 0 HD22 LEU A 21 14.778 -4.074 -20.187 1.00 55.21 H new ATOM 0 HD23 LEU A 21 14.906 -5.074 -18.720 1.00 55.21 H new ATOM 361 N ASP A 22 17.990 -8.384 -21.820 1.00 20.13 N ATOM 362 CA ASP A 22 19.414 -8.583 -22.063 1.00 60.42 C ATOM 363 C ASP A 22 19.690 -8.766 -23.552 1.00 44.34 C ATOM 364 O ASP A 22 20.384 -9.699 -23.955 1.00 65.32 O ATOM 365 CB ASP A 22 19.921 -9.799 -21.285 1.00 40.32 C ATOM 366 CG ASP A 22 21.300 -9.575 -20.697 1.00 22.32 C ATOM 367 OD1 ASP A 22 21.389 -8.985 -19.600 1.00 1.13 O ATOM 368 OD2 ASP A 22 22.291 -9.992 -21.333 1.00 13.41 O ATOM 0 H ASP A 22 17.413 -8.394 -22.661 1.00 20.13 H new ATOM 0 HA ASP A 22 19.944 -7.695 -21.719 1.00 60.42 H new ATOM 0 HB2 ASP A 22 19.220 -10.032 -20.483 1.00 40.32 H new ATOM 0 HB3 ASP A 22 19.947 -10.665 -21.946 1.00 40.32 H new ATOM 373 N ARG A 23 19.142 -7.868 -24.365 1.00 32.51 N ATOM 374 CA ARG A 23 19.327 -7.932 -25.810 1.00 4.34 C ATOM 375 C ARG A 23 19.929 -6.633 -26.338 1.00 14.40 C ATOM 376 O ARG A 23 19.294 -5.884 -27.081 1.00 44.52 O ATOM 377 CB ARG A 23 17.993 -8.209 -26.505 1.00 2.41 C ATOM 378 CG ARG A 23 16.839 -7.384 -25.959 1.00 42.41 C ATOM 379 CD ARG A 23 15.810 -8.259 -25.262 1.00 14.14 C ATOM 380 NE ARG A 23 16.431 -9.207 -24.341 1.00 10.24 N ATOM 381 CZ ARG A 23 15.743 -10.056 -23.586 1.00 23.33 C ATOM 382 NH1 ARG A 23 14.419 -10.076 -23.643 1.00 32.44 N ATOM 383 NH2 ARG A 23 16.381 -10.889 -22.772 1.00 54.51 N ATOM 0 H ARG A 23 18.567 -7.088 -24.048 1.00 32.51 H new ATOM 0 HA ARG A 23 20.017 -8.747 -26.028 1.00 4.34 H new ATOM 0 HB2 ARG A 23 18.100 -8.008 -27.571 1.00 2.41 H new ATOM 0 HB3 ARG A 23 17.752 -9.267 -26.403 1.00 2.41 H new ATOM 0 HG2 ARG A 23 17.221 -6.641 -25.259 1.00 42.41 H new ATOM 0 HG3 ARG A 23 16.363 -6.839 -26.774 1.00 42.41 H new ATOM 0 HD2 ARG A 23 15.109 -7.628 -24.715 1.00 14.14 H new ATOM 0 HD3 ARG A 23 15.233 -8.804 -26.009 1.00 14.14 H new ATOM 0 HE ARG A 23 17.449 -9.218 -24.274 1.00 10.24 H new ATOM 0 HH11 ARG A 23 13.926 -9.438 -24.268 1.00 32.44 H new ATOM 0 HH12 ARG A 23 13.893 -10.729 -23.062 1.00 32.44 H new ATOM 0 HH21 ARG A 23 17.400 -10.877 -22.726 1.00 54.51 H new ATOM 0 HH22 ARG A 23 15.852 -11.541 -22.192 1.00 54.51 H new ATOM 397 N PRO A 24 21.181 -6.358 -25.946 1.00 4.42 N ATOM 398 CA PRO A 24 21.896 -5.149 -26.368 1.00 32.12 C ATOM 399 C PRO A 24 22.261 -5.179 -27.848 1.00 1.20 C ATOM 400 O PRO A 24 23.408 -5.444 -28.208 1.00 12.34 O ATOM 401 CB PRO A 24 23.160 -5.164 -25.505 1.00 32.44 C ATOM 402 CG PRO A 24 23.370 -6.600 -25.166 1.00 13.11 C ATOM 403 CD PRO A 24 21.997 -7.206 -25.061 1.00 4.55 C ATOM 0 HA PRO A 24 21.289 -4.252 -26.243 1.00 32.12 H new ATOM 0 HB2 PRO A 24 24.014 -4.756 -26.046 1.00 32.44 H new ATOM 0 HB3 PRO A 24 23.033 -4.560 -24.607 1.00 32.44 H new ATOM 0 HG2 PRO A 24 23.960 -7.100 -25.934 1.00 13.11 H new ATOM 0 HG3 PRO A 24 23.915 -6.704 -24.228 1.00 13.11 H new ATOM 0 HD2 PRO A 24 21.991 -8.247 -25.385 1.00 4.55 H new ATOM 0 HD3 PRO A 24 21.628 -7.189 -24.036 1.00 4.55 H new ATOM 411 N GLN A 25 21.279 -4.905 -28.701 1.00 2.02 N ATOM 412 CA GLN A 25 21.499 -4.901 -30.142 1.00 51.12 C ATOM 413 C GLN A 25 22.514 -3.833 -30.535 1.00 64.01 C ATOM 414 O GLN A 25 23.480 -4.113 -31.244 1.00 24.31 O ATOM 415 CB GLN A 25 20.180 -4.663 -30.880 1.00 21.42 C ATOM 416 CG GLN A 25 19.288 -5.893 -30.943 1.00 44.11 C ATOM 417 CD GLN A 25 18.652 -6.083 -32.306 1.00 1.11 C ATOM 418 OE1 GLN A 25 17.443 -5.914 -32.468 1.00 62.14 O ATOM 419 NE2 GLN A 25 19.465 -6.436 -33.295 1.00 12.20 N ATOM 0 H GLN A 25 20.324 -4.683 -28.419 1.00 2.02 H new ATOM 0 HA GLN A 25 21.896 -5.876 -30.426 1.00 51.12 H new ATOM 0 HB2 GLN A 25 19.638 -3.856 -30.387 1.00 21.42 H new ATOM 0 HB3 GLN A 25 20.396 -4.329 -31.895 1.00 21.42 H new ATOM 0 HG2 GLN A 25 19.876 -6.777 -30.694 1.00 44.11 H new ATOM 0 HG3 GLN A 25 18.505 -5.808 -30.189 1.00 44.11 H new ATOM 0 HE21 GLN A 25 20.461 -6.565 -33.115 1.00 12.20 H new ATOM 0 HE22 GLN A 25 19.094 -6.578 -34.234 1.00 12.20 H new ATOM 428 N GLU A 26 22.288 -2.608 -30.070 1.00 21.41 N ATOM 429 CA GLU A 26 23.184 -1.499 -30.375 1.00 14.34 C ATOM 430 C GLU A 26 24.444 -1.565 -29.516 1.00 53.04 C ATOM 431 O GLU A 26 25.559 -1.462 -30.024 1.00 43.04 O ATOM 432 CB GLU A 26 22.471 -0.163 -30.151 1.00 70.14 C ATOM 433 CG GLU A 26 22.117 0.561 -31.440 1.00 32.54 C ATOM 434 CD GLU A 26 23.094 1.671 -31.773 1.00 24.31 C ATOM 435 OE1 GLU A 26 23.404 2.478 -30.872 1.00 13.32 O ATOM 436 OE2 GLU A 26 23.550 1.732 -32.934 1.00 12.31 O ATOM 0 H GLU A 26 21.493 -2.359 -29.481 1.00 21.41 H new ATOM 0 HA GLU A 26 23.475 -1.578 -31.423 1.00 14.34 H new ATOM 0 HB2 GLU A 26 21.559 -0.339 -29.580 1.00 70.14 H new ATOM 0 HB3 GLU A 26 23.107 0.482 -29.545 1.00 70.14 H new ATOM 0 HG2 GLU A 26 22.094 -0.156 -32.261 1.00 32.54 H new ATOM 0 HG3 GLU A 26 21.114 0.979 -31.354 1.00 32.54 H new ATOM 443 N ASN A 27 24.256 -1.737 -28.212 1.00 33.21 N ATOM 444 CA ASN A 27 25.376 -1.816 -27.282 1.00 64.11 C ATOM 445 C ASN A 27 26.327 -0.639 -27.475 1.00 1.42 C ATOM 446 O ASN A 27 27.502 -0.821 -27.790 1.00 23.04 O ATOM 447 CB ASN A 27 26.132 -3.133 -27.472 1.00 43.35 C ATOM 448 CG ASN A 27 27.131 -3.392 -26.361 1.00 71.01 C ATOM 449 OD1 ASN A 27 28.329 -3.161 -26.522 1.00 65.41 O ATOM 450 ND2 ASN A 27 26.640 -3.874 -25.225 1.00 70.44 N ATOM 0 H ASN A 27 23.338 -1.824 -27.775 1.00 33.21 H new ATOM 0 HA ASN A 27 24.978 -1.776 -26.268 1.00 64.11 H new ATOM 0 HB2 ASN A 27 25.418 -3.956 -27.514 1.00 43.35 H new ATOM 0 HB3 ASN A 27 26.654 -3.114 -28.429 1.00 43.35 H new ATOM 0 HD21 ASN A 27 27.264 -4.068 -24.441 1.00 70.44 H new ATOM 0 HD22 ASN A 27 25.639 -4.050 -25.136 1.00 70.44 H new ATOM 457 N GLY A 28 25.809 0.571 -27.283 1.00 22.03 N ATOM 458 CA GLY A 28 26.625 1.761 -27.439 1.00 63.32 C ATOM 459 C GLY A 28 25.973 2.993 -26.845 1.00 41.40 C ATOM 460 O GLY A 28 26.651 3.851 -26.278 1.00 50.40 O ATOM 0 H GLY A 28 24.839 0.748 -27.022 1.00 22.03 H new ATOM 0 HA2 GLY A 28 27.592 1.600 -26.962 1.00 63.32 H new ATOM 0 HA3 GLY A 28 26.816 1.930 -28.499 1.00 63.32 H new ATOM 464 N LEU A 29 24.654 3.084 -26.976 1.00 23.14 N ATOM 465 CA LEU A 29 23.910 4.222 -26.448 1.00 54.23 C ATOM 466 C LEU A 29 22.407 3.965 -26.509 1.00 3.32 C ATOM 467 O LEU A 29 21.663 4.358 -25.610 1.00 61.00 O ATOM 468 CB LEU A 29 24.254 5.490 -27.233 1.00 32.53 C ATOM 469 CG LEU A 29 23.268 6.651 -27.099 1.00 32.54 C ATOM 470 CD1 LEU A 29 23.997 7.982 -27.182 1.00 0.52 C ATOM 471 CD2 LEU A 29 22.191 6.562 -28.170 1.00 50.12 C ATOM 0 H LEU A 29 24.078 2.384 -27.443 1.00 23.14 H new ATOM 0 HA LEU A 29 24.195 4.359 -25.405 1.00 54.23 H new ATOM 0 HB2 LEU A 29 25.237 5.836 -26.913 1.00 32.53 H new ATOM 0 HB3 LEU A 29 24.336 5.229 -28.288 1.00 32.53 H new ATOM 0 HG LEU A 29 22.787 6.584 -26.123 1.00 32.54 H new ATOM 0 HD11 LEU A 29 23.279 8.797 -27.085 1.00 0.52 H new ATOM 0 HD12 LEU A 29 24.730 8.046 -26.378 1.00 0.52 H new ATOM 0 HD13 LEU A 29 24.505 8.059 -28.143 1.00 0.52 H new ATOM 0 HD21 LEU A 29 21.498 7.396 -28.059 1.00 50.12 H new ATOM 0 HD22 LEU A 29 22.654 6.603 -29.156 1.00 50.12 H new ATOM 0 HD23 LEU A 29 21.648 5.623 -28.063 1.00 50.12 H new ATOM 483 N PHE A 30 21.968 3.302 -27.573 1.00 61.21 N ATOM 484 CA PHE A 30 20.554 2.991 -27.751 1.00 25.15 C ATOM 485 C PHE A 30 20.105 1.918 -26.763 1.00 4.24 C ATOM 486 O PHE A 30 18.915 1.629 -26.642 1.00 51.40 O ATOM 487 CB PHE A 30 20.289 2.524 -29.183 1.00 60.02 C ATOM 488 CG PHE A 30 19.792 3.616 -30.087 1.00 65.12 C ATOM 489 CD1 PHE A 30 20.663 4.575 -30.580 1.00 32.12 C ATOM 490 CD2 PHE A 30 18.456 3.683 -30.445 1.00 34.11 C ATOM 491 CE1 PHE A 30 20.208 5.581 -31.411 1.00 43.11 C ATOM 492 CE2 PHE A 30 17.995 4.687 -31.276 1.00 63.44 C ATOM 493 CZ PHE A 30 18.873 5.636 -31.761 1.00 2.32 C ATOM 0 H PHE A 30 22.571 2.969 -28.326 1.00 61.21 H new ATOM 0 HA PHE A 30 19.981 3.899 -27.560 1.00 25.15 H new ATOM 0 HB2 PHE A 30 21.208 2.110 -29.598 1.00 60.02 H new ATOM 0 HB3 PHE A 30 19.556 1.717 -29.164 1.00 60.02 H new ATOM 0 HD1 PHE A 30 21.708 4.536 -30.312 1.00 32.12 H new ATOM 0 HD2 PHE A 30 17.766 2.942 -30.070 1.00 34.11 H new ATOM 0 HE1 PHE A 30 20.896 6.324 -31.787 1.00 43.11 H new ATOM 0 HE2 PHE A 30 16.950 4.729 -31.545 1.00 63.44 H new ATOM 0 HZ PHE A 30 18.516 6.420 -32.413 1.00 2.32 H new ATOM 503 N SER A 31 21.068 1.331 -26.058 1.00 75.23 N ATOM 504 CA SER A 31 20.773 0.287 -25.084 1.00 31.31 C ATOM 505 C SER A 31 21.799 0.292 -23.955 1.00 13.44 C ATOM 506 O SER A 31 22.015 -0.723 -23.294 1.00 14.03 O ATOM 507 CB SER A 31 20.753 -1.084 -25.763 1.00 43.25 C ATOM 508 OG SER A 31 19.851 -1.098 -26.856 1.00 63.33 O ATOM 0 H SER A 31 22.058 1.561 -26.143 1.00 75.23 H new ATOM 0 HA SER A 31 19.789 0.489 -24.660 1.00 31.31 H new ATOM 0 HB2 SER A 31 21.755 -1.336 -26.111 1.00 43.25 H new ATOM 0 HB3 SER A 31 20.465 -1.847 -25.040 1.00 43.25 H new ATOM 0 HG SER A 31 19.857 -1.984 -27.274 1.00 63.33 H new ATOM 514 N GLN A 32 22.427 1.444 -23.741 1.00 24.34 N ATOM 515 CA GLN A 32 23.431 1.582 -22.692 1.00 63.11 C ATOM 516 C GLN A 32 23.651 3.049 -22.339 1.00 0.21 C ATOM 517 O GLN A 32 23.018 3.937 -22.911 1.00 44.00 O ATOM 518 CB GLN A 32 24.751 0.948 -23.134 1.00 45.20 C ATOM 519 CG GLN A 32 25.176 -0.233 -22.277 1.00 4.04 C ATOM 520 CD GLN A 32 25.421 -1.488 -23.092 1.00 14.25 C ATOM 521 OE1 GLN A 32 26.482 -2.105 -22.999 1.00 70.21 O ATOM 522 NE2 GLN A 32 24.437 -1.872 -23.896 1.00 73.31 N ATOM 0 H GLN A 32 22.259 2.294 -24.279 1.00 24.34 H new ATOM 0 HA GLN A 32 23.067 1.064 -21.805 1.00 63.11 H new ATOM 0 HB2 GLN A 32 24.658 0.620 -24.169 1.00 45.20 H new ATOM 0 HB3 GLN A 32 25.535 1.705 -23.109 1.00 45.20 H new ATOM 0 HG2 GLN A 32 26.085 0.026 -21.734 1.00 4.04 H new ATOM 0 HG3 GLN A 32 24.405 -0.433 -21.532 1.00 4.04 H new ATOM 0 HE21 GLN A 32 23.574 -1.330 -23.941 1.00 73.31 H new ATOM 0 HE22 GLN A 32 24.544 -2.709 -24.469 1.00 73.31 H new ATOM 531 N ASP A 33 24.551 3.296 -21.393 1.00 53.53 N ATOM 532 CA ASP A 33 24.855 4.657 -20.964 1.00 74.40 C ATOM 533 C ASP A 33 26.009 5.237 -21.775 1.00 54.52 C ATOM 534 O ASP A 33 27.167 4.871 -21.577 1.00 0.13 O ATOM 535 CB ASP A 33 25.200 4.679 -19.474 1.00 61.22 C ATOM 536 CG ASP A 33 23.990 4.430 -18.596 1.00 21.45 C ATOM 537 OD1 ASP A 33 23.254 3.456 -18.861 1.00 22.23 O ATOM 538 OD2 ASP A 33 23.779 5.208 -17.642 1.00 64.21 O ATOM 0 H ASP A 33 25.082 2.572 -20.909 1.00 53.53 H new ATOM 0 HA ASP A 33 23.971 5.272 -21.133 1.00 74.40 H new ATOM 0 HB2 ASP A 33 25.957 3.922 -19.268 1.00 61.22 H new ATOM 0 HB3 ASP A 33 25.637 5.644 -19.220 1.00 61.22 H new ATOM 543 N VAL A 34 25.684 6.145 -22.691 1.00 30.22 N ATOM 544 CA VAL A 34 26.693 6.777 -23.532 1.00 61.45 C ATOM 545 C VAL A 34 27.766 7.456 -22.689 1.00 14.15 C ATOM 546 O VAL A 34 28.898 7.642 -23.136 1.00 0.10 O ATOM 547 CB VAL A 34 26.064 7.817 -24.478 1.00 70.12 C ATOM 548 CG1 VAL A 34 25.525 9.000 -23.688 1.00 63.14 C ATOM 549 CG2 VAL A 34 27.078 8.275 -25.516 1.00 12.04 C ATOM 0 H VAL A 34 24.730 6.459 -22.869 1.00 30.22 H new ATOM 0 HA VAL A 34 27.150 5.986 -24.126 1.00 61.45 H new ATOM 0 HB VAL A 34 25.229 7.350 -25.001 1.00 70.12 H new ATOM 0 HG11 VAL A 34 25.084 9.724 -24.373 1.00 63.14 H new ATOM 0 HG12 VAL A 34 24.765 8.654 -22.988 1.00 63.14 H new ATOM 0 HG13 VAL A 34 26.339 9.471 -23.137 1.00 63.14 H new ATOM 0 HG21 VAL A 34 26.617 9.010 -26.176 1.00 12.04 H new ATOM 0 HG22 VAL A 34 27.934 8.725 -25.014 1.00 12.04 H new ATOM 0 HG23 VAL A 34 27.410 7.419 -26.103 1.00 12.04 H new ATOM 559 N LEU A 35 27.402 7.825 -21.465 1.00 63.41 N ATOM 560 CA LEU A 35 28.334 8.484 -20.556 1.00 72.23 C ATOM 561 C LEU A 35 29.396 7.507 -20.062 1.00 33.30 C ATOM 562 O LEU A 35 30.458 7.914 -19.591 1.00 4.11 O ATOM 563 CB LEU A 35 27.580 9.081 -19.366 1.00 61.44 C ATOM 564 CG LEU A 35 28.042 10.463 -18.905 1.00 13.33 C ATOM 565 CD1 LEU A 35 29.473 10.405 -18.394 1.00 10.21 C ATOM 566 CD2 LEU A 35 27.918 11.472 -20.037 1.00 1.51 C ATOM 0 H LEU A 35 26.469 7.679 -21.080 1.00 63.41 H new ATOM 0 HA LEU A 35 28.831 9.286 -21.103 1.00 72.23 H new ATOM 0 HB2 LEU A 35 26.523 9.141 -19.624 1.00 61.44 H new ATOM 0 HB3 LEU A 35 27.664 8.392 -18.525 1.00 61.44 H new ATOM 0 HG LEU A 35 27.399 10.785 -18.086 1.00 13.33 H new ATOM 0 HD11 LEU A 35 29.784 11.398 -18.070 1.00 10.21 H new ATOM 0 HD12 LEU A 35 29.531 9.714 -17.553 1.00 10.21 H new ATOM 0 HD13 LEU A 35 30.131 10.061 -19.192 1.00 10.21 H new ATOM 0 HD21 LEU A 35 28.251 12.450 -19.691 1.00 1.51 H new ATOM 0 HD22 LEU A 35 28.536 11.154 -20.877 1.00 1.51 H new ATOM 0 HD23 LEU A 35 26.878 11.535 -20.356 1.00 1.51 H new ATOM 578 N LEU A 36 29.102 6.216 -20.174 1.00 64.01 N ATOM 579 CA LEU A 36 30.033 5.179 -19.741 1.00 0.53 C ATOM 580 C LEU A 36 30.856 4.661 -20.915 1.00 45.24 C ATOM 581 O LEU A 36 31.465 3.595 -20.836 1.00 20.54 O ATOM 582 CB LEU A 36 29.272 4.024 -19.087 1.00 44.43 C ATOM 583 CG LEU A 36 28.869 4.227 -17.626 1.00 44.33 C ATOM 584 CD1 LEU A 36 30.098 4.459 -16.761 1.00 23.42 C ATOM 585 CD2 LEU A 36 27.898 5.391 -17.498 1.00 13.32 C ATOM 0 H LEU A 36 28.227 5.862 -20.561 1.00 64.01 H new ATOM 0 HA LEU A 36 30.713 5.618 -19.011 1.00 0.53 H new ATOM 0 HB2 LEU A 36 28.370 3.834 -19.669 1.00 44.43 H new ATOM 0 HB3 LEU A 36 29.888 3.127 -19.152 1.00 44.43 H new ATOM 0 HG LEU A 36 28.370 3.323 -17.278 1.00 44.33 H new ATOM 0 HD11 LEU A 36 29.792 4.601 -15.725 1.00 23.42 H new ATOM 0 HD12 LEU A 36 30.759 3.595 -16.829 1.00 23.42 H new ATOM 0 HD13 LEU A 36 30.625 5.347 -17.109 1.00 23.42 H new ATOM 0 HD21 LEU A 36 27.622 5.521 -16.452 1.00 13.32 H new ATOM 0 HD22 LEU A 36 28.372 6.302 -17.864 1.00 13.32 H new ATOM 0 HD23 LEU A 36 27.004 5.185 -18.086 1.00 13.32 H new ATOM 597 N GLN A 37 30.872 5.425 -22.003 1.00 72.32 N ATOM 598 CA GLN A 37 31.622 5.043 -23.194 1.00 22.54 C ATOM 599 C GLN A 37 32.989 5.719 -23.216 1.00 30.21 C ATOM 600 O GLN A 37 34.013 5.079 -22.978 1.00 64.52 O ATOM 601 CB GLN A 37 30.838 5.408 -24.455 1.00 65.14 C ATOM 602 CG GLN A 37 29.454 4.784 -24.514 1.00 33.53 C ATOM 603 CD GLN A 37 29.495 3.299 -24.817 1.00 64.20 C ATOM 604 OE1 GLN A 37 30.504 2.779 -25.296 1.00 53.33 O ATOM 605 NE2 GLN A 37 28.397 2.606 -24.539 1.00 0.44 N ATOM 0 H GLN A 37 30.374 6.312 -22.084 1.00 72.32 H new ATOM 0 HA GLN A 37 31.771 3.964 -23.168 1.00 22.54 H new ATOM 0 HB2 GLN A 37 30.741 6.492 -24.511 1.00 65.14 H new ATOM 0 HB3 GLN A 37 31.407 5.093 -25.330 1.00 65.14 H new ATOM 0 HG2 GLN A 37 28.947 4.943 -23.562 1.00 33.53 H new ATOM 0 HG3 GLN A 37 28.864 5.290 -25.278 1.00 33.53 H new ATOM 0 HE21 GLN A 37 27.583 3.077 -24.143 1.00 0.44 H new ATOM 0 HE22 GLN A 37 28.367 1.603 -24.722 1.00 0.44 H new ATOM 614 N TYR A 38 32.997 7.016 -23.503 1.00 60.42 N ATOM 615 CA TYR A 38 34.238 7.778 -23.559 1.00 45.34 C ATOM 616 C TYR A 38 33.990 9.248 -23.234 1.00 41.03 C ATOM 617 O TYR A 38 32.971 9.829 -23.607 1.00 50.52 O ATOM 618 CB TYR A 38 34.877 7.652 -24.943 1.00 62.55 C ATOM 619 CG TYR A 38 36.329 7.231 -24.904 1.00 70.21 C ATOM 620 CD1 TYR A 38 36.692 5.951 -24.501 1.00 55.54 C ATOM 621 CD2 TYR A 38 37.338 8.113 -25.271 1.00 22.32 C ATOM 622 CE1 TYR A 38 38.017 5.563 -24.463 1.00 53.33 C ATOM 623 CE2 TYR A 38 38.666 7.733 -25.237 1.00 60.31 C ATOM 624 CZ TYR A 38 39.000 6.457 -24.832 1.00 42.22 C ATOM 625 OH TYR A 38 40.321 6.074 -24.797 1.00 23.11 O ATOM 0 H TYR A 38 32.158 7.561 -23.700 1.00 60.42 H new ATOM 0 HA TYR A 38 34.919 7.369 -22.813 1.00 45.34 H new ATOM 0 HB2 TYR A 38 34.313 6.927 -25.530 1.00 62.55 H new ATOM 0 HB3 TYR A 38 34.799 8.609 -25.459 1.00 62.55 H new ATOM 0 HD1 TYR A 38 35.925 5.248 -24.213 1.00 55.54 H new ATOM 0 HD2 TYR A 38 37.080 9.113 -25.588 1.00 22.32 H new ATOM 0 HE1 TYR A 38 38.282 4.565 -24.146 1.00 53.33 H new ATOM 0 HE2 TYR A 38 39.438 8.431 -25.526 1.00 60.31 H new ATOM 0 HH TYR A 38 40.886 6.820 -25.088 1.00 23.11 H new ATOM 635 N PRO A 39 34.945 9.865 -22.522 1.00 33.31 N ATOM 636 CA PRO A 39 34.854 11.275 -22.131 1.00 24.31 C ATOM 637 C PRO A 39 34.997 12.217 -23.322 1.00 23.45 C ATOM 638 O PRO A 39 36.030 12.863 -23.492 1.00 2.11 O ATOM 639 CB PRO A 39 36.029 11.451 -21.166 1.00 2.04 C ATOM 640 CG PRO A 39 37.006 10.398 -21.561 1.00 33.21 C ATOM 641 CD PRO A 39 36.186 9.233 -22.044 1.00 0.24 C ATOM 0 HA PRO A 39 33.885 11.515 -21.693 1.00 24.31 H new ATOM 0 HB2 PRO A 39 36.465 12.447 -21.250 1.00 2.04 H new ATOM 0 HB3 PRO A 39 35.712 11.328 -20.130 1.00 2.04 H new ATOM 0 HG2 PRO A 39 37.672 10.758 -22.345 1.00 33.21 H new ATOM 0 HG3 PRO A 39 37.633 10.111 -20.717 1.00 33.21 H new ATOM 0 HD2 PRO A 39 36.692 8.688 -22.841 1.00 0.24 H new ATOM 0 HD3 PRO A 39 35.991 8.519 -21.244 1.00 0.24 H new ATOM 649 N GLU A 40 33.954 12.289 -24.142 1.00 35.03 N ATOM 650 CA GLU A 40 33.965 13.153 -25.317 1.00 34.53 C ATOM 651 C GLU A 40 32.549 13.378 -25.840 1.00 31.32 C ATOM 652 O GLU A 40 32.195 14.483 -26.252 1.00 4.44 O ATOM 653 CB GLU A 40 34.836 12.543 -26.417 1.00 33.20 C ATOM 654 CG GLU A 40 34.435 11.127 -26.796 1.00 25.24 C ATOM 655 CD GLU A 40 35.605 10.307 -27.305 1.00 74.51 C ATOM 656 OE1 GLU A 40 36.721 10.857 -27.397 1.00 4.34 O ATOM 657 OE2 GLU A 40 35.402 9.113 -27.612 1.00 61.11 O ATOM 0 H GLU A 40 33.091 11.760 -24.015 1.00 35.03 H new ATOM 0 HA GLU A 40 34.383 14.116 -25.025 1.00 34.53 H new ATOM 0 HB2 GLU A 40 34.784 13.176 -27.303 1.00 33.20 H new ATOM 0 HB3 GLU A 40 35.875 12.541 -26.087 1.00 33.20 H new ATOM 0 HG2 GLU A 40 33.999 10.632 -25.928 1.00 25.24 H new ATOM 0 HG3 GLU A 40 33.662 11.165 -27.563 1.00 25.24 H new ATOM 664 N LEU A 41 31.743 12.322 -25.821 1.00 71.10 N ATOM 665 CA LEU A 41 30.365 12.403 -26.294 1.00 21.43 C ATOM 666 C LEU A 41 29.405 12.647 -25.134 1.00 0.11 C ATOM 667 O LEU A 41 28.231 12.284 -25.200 1.00 21.11 O ATOM 668 CB LEU A 41 29.980 11.116 -27.027 1.00 4.33 C ATOM 669 CG LEU A 41 30.329 9.808 -26.315 1.00 43.44 C ATOM 670 CD1 LEU A 41 31.763 9.402 -26.618 1.00 42.21 C ATOM 671 CD2 LEU A 41 30.117 9.944 -24.815 1.00 1.53 C ATOM 0 H LEU A 41 32.020 11.400 -25.483 1.00 71.10 H new ATOM 0 HA LEU A 41 30.293 13.243 -26.985 1.00 21.43 H new ATOM 0 HB2 LEU A 41 28.905 11.132 -27.208 1.00 4.33 H new ATOM 0 HB3 LEU A 41 30.468 11.117 -28.002 1.00 4.33 H new ATOM 0 HG LEU A 41 29.666 9.027 -26.686 1.00 43.44 H new ATOM 0 HD11 LEU A 41 31.994 8.469 -26.103 1.00 42.21 H new ATOM 0 HD12 LEU A 41 31.882 9.262 -27.692 1.00 42.21 H new ATOM 0 HD13 LEU A 41 32.442 10.183 -26.276 1.00 42.21 H new ATOM 0 HD21 LEU A 41 30.370 9.004 -24.325 1.00 1.53 H new ATOM 0 HD22 LEU A 41 30.755 10.738 -24.428 1.00 1.53 H new ATOM 0 HD23 LEU A 41 29.073 10.187 -24.616 1.00 1.53 H new ATOM 683 N ALA A 42 29.912 13.267 -24.073 1.00 62.22 N ATOM 684 CA ALA A 42 29.099 13.564 -22.901 1.00 32.23 C ATOM 685 C ALA A 42 28.014 14.584 -23.229 1.00 60.02 C ATOM 686 O ALA A 42 27.003 14.674 -22.533 1.00 62.44 O ATOM 687 CB ALA A 42 29.975 14.070 -21.765 1.00 24.13 C ATOM 0 H ALA A 42 30.882 13.573 -24.002 1.00 62.22 H new ATOM 0 HA ALA A 42 28.611 12.642 -22.586 1.00 32.23 H new ATOM 0 HB1 ALA A 42 29.354 14.288 -20.896 1.00 24.13 H new ATOM 0 HB2 ALA A 42 30.709 13.308 -21.504 1.00 24.13 H new ATOM 0 HB3 ALA A 42 30.490 14.978 -22.079 1.00 24.13 H new ATOM 693 N GLU A 43 28.232 15.351 -24.293 1.00 31.10 N ATOM 694 CA GLU A 43 27.272 16.366 -24.712 1.00 22.15 C ATOM 695 C GLU A 43 25.994 15.721 -25.240 1.00 11.15 C ATOM 696 O GLU A 43 24.888 16.110 -24.863 1.00 44.43 O ATOM 697 CB GLU A 43 27.884 17.266 -25.787 1.00 64.30 C ATOM 698 CG GLU A 43 28.661 18.445 -25.225 1.00 31.53 C ATOM 699 CD GLU A 43 29.776 18.901 -26.145 1.00 62.11 C ATOM 700 OE1 GLU A 43 29.616 18.779 -27.377 1.00 43.55 O ATOM 701 OE2 GLU A 43 30.809 19.380 -25.632 1.00 63.10 O ATOM 0 H GLU A 43 29.064 15.289 -24.880 1.00 31.10 H new ATOM 0 HA GLU A 43 27.020 16.972 -23.842 1.00 22.15 H new ATOM 0 HB2 GLU A 43 28.548 16.670 -26.413 1.00 64.30 H new ATOM 0 HB3 GLU A 43 27.089 17.640 -26.432 1.00 64.30 H new ATOM 0 HG2 GLU A 43 27.977 19.276 -25.050 1.00 31.53 H new ATOM 0 HG3 GLU A 43 29.083 18.170 -24.258 1.00 31.53 H new ATOM 708 N SER A 44 26.154 14.733 -26.114 1.00 41.12 N ATOM 709 CA SER A 44 25.014 14.037 -26.698 1.00 33.40 C ATOM 710 C SER A 44 24.178 13.360 -25.616 1.00 23.25 C ATOM 711 O SER A 44 22.970 13.181 -25.769 1.00 52.41 O ATOM 712 CB SER A 44 25.490 12.998 -27.715 1.00 31.40 C ATOM 713 OG SER A 44 25.902 11.805 -27.070 1.00 61.24 O ATOM 0 H SER A 44 27.062 14.396 -26.433 1.00 41.12 H new ATOM 0 HA SER A 44 24.392 14.774 -27.206 1.00 33.40 H new ATOM 0 HB2 SER A 44 24.686 12.777 -28.417 1.00 31.40 H new ATOM 0 HB3 SER A 44 26.317 13.406 -28.296 1.00 31.40 H new ATOM 0 HG SER A 44 26.667 11.995 -26.488 1.00 61.24 H new ATOM 719 N TYR A 45 24.831 12.985 -24.521 1.00 43.12 N ATOM 720 CA TYR A 45 24.151 12.326 -23.413 1.00 73.52 C ATOM 721 C TYR A 45 22.913 13.110 -22.990 1.00 13.23 C ATOM 722 O TYR A 45 21.807 12.570 -22.939 1.00 40.22 O ATOM 723 CB TYR A 45 25.100 12.169 -22.224 1.00 64.14 C ATOM 724 CG TYR A 45 24.482 11.453 -21.045 1.00 75.12 C ATOM 725 CD1 TYR A 45 23.725 10.302 -21.226 1.00 32.41 C ATOM 726 CD2 TYR A 45 24.652 11.928 -19.751 1.00 25.11 C ATOM 727 CE1 TYR A 45 23.157 9.644 -20.152 1.00 12.33 C ATOM 728 CE2 TYR A 45 24.090 11.276 -18.671 1.00 15.33 C ATOM 729 CZ TYR A 45 23.342 10.135 -18.876 1.00 44.22 C ATOM 730 OH TYR A 45 22.779 9.484 -17.803 1.00 12.11 O ATOM 0 H TYR A 45 25.831 13.127 -24.378 1.00 43.12 H new ATOM 0 HA TYR A 45 23.836 11.338 -23.750 1.00 73.52 H new ATOM 0 HB2 TYR A 45 25.986 11.622 -22.547 1.00 64.14 H new ATOM 0 HB3 TYR A 45 25.434 13.156 -21.904 1.00 64.14 H new ATOM 0 HD1 TYR A 45 23.578 9.915 -22.223 1.00 32.41 H new ATOM 0 HD2 TYR A 45 25.234 12.823 -19.586 1.00 25.11 H new ATOM 0 HE1 TYR A 45 22.572 8.750 -20.310 1.00 12.33 H new ATOM 0 HE2 TYR A 45 24.235 11.657 -17.671 1.00 15.33 H new ATOM 0 HH TYR A 45 23.006 9.959 -16.976 1.00 12.11 H new ATOM 740 N THR A 46 23.106 14.390 -22.686 1.00 24.10 N ATOM 741 CA THR A 46 22.008 15.251 -22.266 1.00 72.42 C ATOM 742 C THR A 46 21.090 15.582 -23.438 1.00 22.34 C ATOM 743 O THR A 46 19.880 15.734 -23.269 1.00 22.45 O ATOM 744 CB THR A 46 22.527 16.563 -21.648 1.00 75.24 C ATOM 745 OG1 THR A 46 21.430 17.439 -21.367 1.00 54.35 O ATOM 746 CG2 THR A 46 23.506 17.252 -22.586 1.00 51.32 C ATOM 0 H THR A 46 24.014 14.853 -22.723 1.00 24.10 H new ATOM 0 HA THR A 46 21.446 14.701 -21.511 1.00 72.42 H new ATOM 0 HB THR A 46 23.046 16.322 -20.720 1.00 75.24 H new ATOM 0 HG1 THR A 46 21.768 18.270 -20.973 1.00 54.35 H new ATOM 0 HG21 THR A 46 23.859 18.176 -22.129 1.00 51.32 H new ATOM 0 HG22 THR A 46 24.354 16.593 -22.775 1.00 51.32 H new ATOM 0 HG23 THR A 46 23.008 17.481 -23.528 1.00 51.32 H new ATOM 754 N LYS A 47 21.673 15.692 -24.627 1.00 32.33 N ATOM 755 CA LYS A 47 20.908 16.003 -25.828 1.00 73.13 C ATOM 756 C LYS A 47 19.722 15.055 -25.979 1.00 12.53 C ATOM 757 O LYS A 47 18.682 15.427 -26.524 1.00 5.42 O ATOM 758 CB LYS A 47 21.804 15.915 -27.065 1.00 42.45 C ATOM 759 CG LYS A 47 21.075 16.204 -28.366 1.00 62.24 C ATOM 760 CD LYS A 47 20.547 14.930 -29.004 1.00 62.41 C ATOM 761 CE LYS A 47 21.509 14.391 -30.052 1.00 53.02 C ATOM 762 NZ LYS A 47 20.969 14.546 -31.432 1.00 22.34 N ATOM 0 H LYS A 47 22.673 15.570 -24.784 1.00 32.33 H new ATOM 0 HA LYS A 47 20.528 17.020 -25.733 1.00 73.13 H new ATOM 0 HB2 LYS A 47 22.629 16.619 -26.956 1.00 42.45 H new ATOM 0 HB3 LYS A 47 22.241 14.918 -27.117 1.00 42.45 H new ATOM 0 HG2 LYS A 47 20.247 16.887 -28.176 1.00 62.24 H new ATOM 0 HG3 LYS A 47 21.750 16.706 -29.059 1.00 62.24 H new ATOM 0 HD2 LYS A 47 20.386 14.176 -28.234 1.00 62.41 H new ATOM 0 HD3 LYS A 47 19.579 15.127 -29.464 1.00 62.41 H new ATOM 0 HE2 LYS A 47 22.462 14.914 -29.974 1.00 53.02 H new ATOM 0 HE3 LYS A 47 21.707 13.337 -29.856 1.00 53.02 H new ATOM 0 HZ1 LYS A 47 21.653 14.167 -32.117 1.00 22.34 H new ATOM 0 HZ2 LYS A 47 20.072 14.026 -31.514 1.00 22.34 H new ATOM 0 HZ3 LYS A 47 20.804 15.554 -31.629 1.00 22.34 H new ATOM 776 N VAL A 48 19.884 13.830 -25.491 1.00 33.33 N ATOM 777 CA VAL A 48 18.825 12.830 -25.569 1.00 24.23 C ATOM 778 C VAL A 48 18.415 12.355 -24.179 1.00 55.05 C ATOM 779 O VAL A 48 18.012 11.205 -23.999 1.00 41.02 O ATOM 780 CB VAL A 48 19.263 11.614 -26.406 1.00 60.53 C ATOM 781 CG1 VAL A 48 20.291 10.786 -25.650 1.00 1.11 C ATOM 782 CG2 VAL A 48 18.058 10.766 -26.784 1.00 73.20 C ATOM 0 H VAL A 48 20.738 13.506 -25.037 1.00 33.33 H new ATOM 0 HA VAL A 48 17.973 13.307 -26.053 1.00 24.23 H new ATOM 0 HB VAL A 48 19.727 11.976 -27.324 1.00 60.53 H new ATOM 0 HG11 VAL A 48 20.588 9.931 -26.258 1.00 1.11 H new ATOM 0 HG12 VAL A 48 21.166 11.400 -25.435 1.00 1.11 H new ATOM 0 HG13 VAL A 48 19.857 10.433 -24.715 1.00 1.11 H new ATOM 0 HG21 VAL A 48 18.386 9.911 -27.375 1.00 73.20 H new ATOM 0 HG22 VAL A 48 17.563 10.413 -25.879 1.00 73.20 H new ATOM 0 HG23 VAL A 48 17.360 11.365 -27.369 1.00 73.20 H new ATOM 792 N CYS A 49 18.518 13.247 -23.201 1.00 1.31 N ATOM 793 CA CYS A 49 18.157 12.920 -21.826 1.00 63.41 C ATOM 794 C CYS A 49 19.068 11.830 -21.270 1.00 2.11 C ATOM 795 O CYS A 49 19.793 11.158 -22.004 1.00 35.41 O ATOM 796 CB CYS A 49 16.698 12.467 -21.754 1.00 1.52 C ATOM 797 SG CYS A 49 15.555 13.749 -21.189 1.00 2.54 S ATOM 0 H CYS A 49 18.849 14.203 -23.334 1.00 1.31 H new ATOM 0 HA CYS A 49 18.282 13.817 -21.220 1.00 63.41 H new ATOM 0 HB2 CYS A 49 16.385 12.126 -22.741 1.00 1.52 H new ATOM 0 HB3 CYS A 49 16.627 11.611 -21.083 1.00 1.52 H new ATOM 0 HG CYS A 49 14.346 13.272 -21.163 1.00 2.54 H new ATOM 803 N PRO A 50 19.034 11.651 -19.941 1.00 11.30 N ATOM 804 CA PRO A 50 19.851 10.645 -19.256 1.00 42.23 C ATOM 805 C PRO A 50 19.393 9.223 -19.558 1.00 73.41 C ATOM 806 O PRO A 50 18.854 8.537 -18.690 1.00 63.12 O ATOM 807 CB PRO A 50 19.646 10.970 -17.775 1.00 1.14 C ATOM 808 CG PRO A 50 18.323 11.653 -17.716 1.00 62.41 C ATOM 809 CD PRO A 50 18.194 12.417 -19.005 1.00 2.04 C ATOM 0 HA PRO A 50 20.893 10.681 -19.574 1.00 42.23 H new ATOM 0 HB2 PRO A 50 19.652 10.065 -17.167 1.00 1.14 H new ATOM 0 HB3 PRO A 50 20.441 11.613 -17.397 1.00 1.14 H new ATOM 0 HG2 PRO A 50 17.515 10.930 -17.608 1.00 62.41 H new ATOM 0 HG3 PRO A 50 18.267 12.323 -16.858 1.00 62.41 H new ATOM 0 HD2 PRO A 50 17.158 12.465 -19.342 1.00 2.04 H new ATOM 0 HD3 PRO A 50 18.543 13.444 -18.900 1.00 2.04 H new ATOM 817 N ASN A 51 19.610 8.785 -20.794 1.00 42.32 N ATOM 818 CA ASN A 51 19.219 7.443 -21.210 1.00 52.42 C ATOM 819 C ASN A 51 17.706 7.266 -21.122 1.00 40.20 C ATOM 820 O ASN A 51 17.143 7.184 -20.030 1.00 61.12 O ATOM 821 CB ASN A 51 19.918 6.394 -20.344 1.00 11.03 C ATOM 822 CG ASN A 51 21.428 6.532 -20.374 1.00 71.45 C ATOM 823 OD1 ASN A 51 22.091 6.453 -19.340 1.00 73.10 O ATOM 824 ND2 ASN A 51 21.979 6.739 -21.565 1.00 32.51 N ATOM 0 H ASN A 51 20.055 9.340 -21.525 1.00 42.32 H new ATOM 0 HA ASN A 51 19.523 7.308 -22.248 1.00 52.42 H new ATOM 0 HB2 ASN A 51 19.568 6.484 -19.316 1.00 11.03 H new ATOM 0 HB3 ASN A 51 19.640 5.398 -20.689 1.00 11.03 H new ATOM 0 HD21 ASN A 51 22.991 6.839 -21.648 1.00 32.51 H new ATOM 0 HD22 ASN A 51 21.390 6.798 -22.396 1.00 32.51 H new ATOM 831 N ARG A 52 17.054 7.208 -22.279 1.00 22.43 N ATOM 832 CA ARG A 52 15.607 7.041 -22.332 1.00 71.44 C ATOM 833 C ARG A 52 15.236 5.730 -23.020 1.00 71.01 C ATOM 834 O ARG A 52 14.224 5.648 -23.718 1.00 44.20 O ATOM 835 CB ARG A 52 14.964 8.216 -23.070 1.00 54.15 C ATOM 836 CG ARG A 52 15.375 9.575 -22.528 1.00 20.24 C ATOM 837 CD ARG A 52 14.185 10.516 -22.421 1.00 62.23 C ATOM 838 NE ARG A 52 14.159 11.490 -23.509 1.00 40.10 N ATOM 839 CZ ARG A 52 13.628 11.246 -24.702 1.00 65.50 C ATOM 840 NH1 ARG A 52 13.083 10.065 -24.959 1.00 74.11 N ATOM 841 NH2 ARG A 52 13.643 12.183 -25.641 1.00 11.33 N ATOM 0 H ARG A 52 17.505 7.274 -23.192 1.00 22.43 H new ATOM 0 HA ARG A 52 15.232 7.014 -21.309 1.00 71.44 H new ATOM 0 HB2 ARG A 52 15.230 8.160 -24.126 1.00 54.15 H new ATOM 0 HB3 ARG A 52 13.880 8.123 -23.009 1.00 54.15 H new ATOM 0 HG2 ARG A 52 15.833 9.453 -21.546 1.00 20.24 H new ATOM 0 HG3 ARG A 52 16.130 10.014 -23.180 1.00 20.24 H new ATOM 0 HD2 ARG A 52 13.262 9.936 -22.431 1.00 62.23 H new ATOM 0 HD3 ARG A 52 14.222 11.040 -21.466 1.00 62.23 H new ATOM 0 HE ARG A 52 14.571 12.408 -23.344 1.00 40.10 H new ATOM 0 HH11 ARG A 52 13.071 9.342 -24.240 1.00 74.11 H new ATOM 0 HH12 ARG A 52 12.676 9.880 -25.876 1.00 74.11 H new ATOM 0 HH21 ARG A 52 14.063 13.092 -25.447 1.00 11.33 H new ATOM 0 HH22 ARG A 52 13.235 11.994 -26.557 1.00 11.33 H new ATOM 855 N CYS A 53 16.061 4.708 -22.819 1.00 14.44 N ATOM 856 CA CYS A 53 15.820 3.402 -23.420 1.00 62.53 C ATOM 857 C CYS A 53 15.022 2.507 -22.477 1.00 45.10 C ATOM 858 O CYS A 53 13.823 2.303 -22.665 1.00 60.11 O ATOM 859 CB CYS A 53 17.147 2.730 -23.779 1.00 52.30 C ATOM 860 SG CYS A 53 16.983 1.010 -24.312 1.00 4.23 S ATOM 0 H CYS A 53 16.902 4.759 -22.245 1.00 14.44 H new ATOM 0 HA CYS A 53 15.238 3.550 -24.329 1.00 62.53 H new ATOM 0 HB2 CYS A 53 17.628 3.301 -24.573 1.00 52.30 H new ATOM 0 HB3 CYS A 53 17.808 2.769 -22.913 1.00 52.30 H new ATOM 0 HG CYS A 53 17.706 0.814 -25.375 1.00 4.23 H new ATOM 866 N ASP A 54 15.697 1.975 -21.463 1.00 55.25 N ATOM 867 CA ASP A 54 15.051 1.102 -20.490 1.00 71.55 C ATOM 868 C ASP A 54 16.045 0.644 -19.427 1.00 54.32 C ATOM 869 O ASP A 54 16.028 1.132 -18.296 1.00 43.22 O ATOM 870 CB ASP A 54 14.439 -0.113 -21.191 1.00 23.04 C ATOM 871 CG ASP A 54 12.935 0.001 -21.340 1.00 0.42 C ATOM 872 OD1 ASP A 54 12.259 0.291 -20.331 1.00 13.35 O ATOM 873 OD2 ASP A 54 12.434 -0.198 -22.466 1.00 21.11 O ATOM 0 H ASP A 54 16.690 2.133 -21.294 1.00 55.25 H new ATOM 0 HA ASP A 54 14.258 1.668 -20.001 1.00 71.55 H new ATOM 0 HB2 ASP A 54 14.891 -0.226 -22.176 1.00 23.04 H new ATOM 0 HB3 ASP A 54 14.678 -1.014 -20.625 1.00 23.04 H new ATOM 878 N LEU A 55 16.908 -0.295 -19.797 1.00 31.34 N ATOM 879 CA LEU A 55 17.909 -0.820 -18.874 1.00 40.23 C ATOM 880 C LEU A 55 18.853 0.284 -18.410 1.00 1.42 C ATOM 881 O LEU A 55 19.299 0.291 -17.263 1.00 4.50 O ATOM 882 CB LEU A 55 18.707 -1.942 -19.541 1.00 10.22 C ATOM 883 CG LEU A 55 19.758 -1.503 -20.561 1.00 62.30 C ATOM 884 CD1 LEU A 55 20.716 -2.645 -20.865 1.00 1.32 C ATOM 885 CD2 LEU A 55 19.090 -1.011 -21.837 1.00 24.12 C ATOM 0 H LEU A 55 16.935 -0.709 -20.729 1.00 31.34 H new ATOM 0 HA LEU A 55 17.390 -1.220 -18.002 1.00 40.23 H new ATOM 0 HB2 LEU A 55 19.205 -2.519 -18.762 1.00 10.22 H new ATOM 0 HB3 LEU A 55 18.006 -2.614 -20.037 1.00 10.22 H new ATOM 0 HG LEU A 55 20.330 -0.680 -20.133 1.00 62.30 H new ATOM 0 HD11 LEU A 55 21.457 -2.314 -21.593 1.00 1.32 H new ATOM 0 HD12 LEU A 55 21.219 -2.951 -19.948 1.00 1.32 H new ATOM 0 HD13 LEU A 55 20.159 -3.489 -21.272 1.00 1.32 H new ATOM 0 HD21 LEU A 55 19.853 -0.703 -22.552 1.00 24.12 H new ATOM 0 HD22 LEU A 55 18.493 -1.814 -22.268 1.00 24.12 H new ATOM 0 HD23 LEU A 55 18.445 -0.163 -21.606 1.00 24.12 H new ATOM 897 N ALA A 56 19.151 1.217 -19.308 1.00 4.40 N ATOM 898 CA ALA A 56 20.039 2.329 -18.989 1.00 73.00 C ATOM 899 C ALA A 56 19.352 3.334 -18.070 1.00 72.51 C ATOM 900 O ALA A 56 19.978 3.901 -17.174 1.00 52.12 O ATOM 901 CB ALA A 56 20.508 3.013 -20.265 1.00 31.33 C ATOM 0 H ALA A 56 18.791 1.225 -20.262 1.00 4.40 H new ATOM 0 HA ALA A 56 20.907 1.930 -18.464 1.00 73.00 H new ATOM 0 HB1 ALA A 56 21.170 3.841 -20.012 1.00 31.33 H new ATOM 0 HB2 ALA A 56 21.045 2.296 -20.886 1.00 31.33 H new ATOM 0 HB3 ALA A 56 19.645 3.393 -20.813 1.00 31.33 H new ATOM 907 N THR A 57 18.060 3.550 -18.298 1.00 0.21 N ATOM 908 CA THR A 57 17.288 4.488 -17.492 1.00 25.31 C ATOM 909 C THR A 57 17.122 3.979 -16.065 1.00 21.42 C ATOM 910 O THR A 57 17.297 4.728 -15.104 1.00 62.52 O ATOM 911 CB THR A 57 15.896 4.739 -18.101 1.00 21.30 C ATOM 912 OG1 THR A 57 16.008 4.935 -19.515 1.00 70.10 O ATOM 913 CG2 THR A 57 15.239 5.955 -17.466 1.00 33.33 C ATOM 0 H THR A 57 17.526 3.088 -19.034 1.00 0.21 H new ATOM 0 HA THR A 57 17.844 5.425 -17.478 1.00 25.31 H new ATOM 0 HB THR A 57 15.275 3.865 -17.904 1.00 21.30 H new ATOM 0 HG1 THR A 57 16.182 5.881 -19.701 1.00 70.10 H new ATOM 0 HG21 THR A 57 14.257 6.113 -17.912 1.00 33.33 H new ATOM 0 HG22 THR A 57 15.129 5.791 -16.394 1.00 33.33 H new ATOM 0 HG23 THR A 57 15.860 6.834 -17.636 1.00 33.33 H new ATOM 921 N ALA A 58 16.784 2.700 -15.933 1.00 55.23 N ATOM 922 CA ALA A 58 16.596 2.090 -14.623 1.00 3.44 C ATOM 923 C ALA A 58 17.929 1.920 -13.901 1.00 11.20 C ATOM 924 O ALA A 58 18.064 2.285 -12.733 1.00 62.25 O ATOM 925 CB ALA A 58 15.893 0.748 -14.760 1.00 43.25 C ATOM 0 H ALA A 58 16.635 2.066 -16.718 1.00 55.23 H new ATOM 0 HA ALA A 58 15.971 2.755 -14.027 1.00 3.44 H new ATOM 0 HB1 ALA A 58 15.760 0.305 -13.773 1.00 43.25 H new ATOM 0 HB2 ALA A 58 14.919 0.894 -15.227 1.00 43.25 H new ATOM 0 HB3 ALA A 58 16.496 0.083 -15.378 1.00 43.25 H new ATOM 931 N ALA A 59 18.910 1.363 -14.603 1.00 40.35 N ATOM 932 CA ALA A 59 20.232 1.146 -14.030 1.00 2.13 C ATOM 933 C ALA A 59 20.804 2.441 -13.463 1.00 22.02 C ATOM 934 O ALA A 59 21.411 2.446 -12.392 1.00 12.25 O ATOM 935 CB ALA A 59 21.172 0.565 -15.075 1.00 63.24 C ATOM 0 H ALA A 59 18.814 1.054 -15.570 1.00 40.35 H new ATOM 0 HA ALA A 59 20.133 0.434 -13.211 1.00 2.13 H new ATOM 0 HB1 ALA A 59 22.156 0.408 -14.633 1.00 63.24 H new ATOM 0 HB2 ALA A 59 20.778 -0.387 -15.430 1.00 63.24 H new ATOM 0 HB3 ALA A 59 21.257 1.257 -15.913 1.00 63.24 H new ATOM 941 N ASP A 60 20.608 3.536 -14.188 1.00 52.43 N ATOM 942 CA ASP A 60 21.104 4.838 -13.757 1.00 41.11 C ATOM 943 C ASP A 60 20.338 5.334 -12.535 1.00 12.21 C ATOM 944 O ASP A 60 20.886 6.046 -11.693 1.00 71.02 O ATOM 945 CB ASP A 60 20.988 5.854 -14.894 1.00 50.24 C ATOM 946 CG ASP A 60 21.665 7.171 -14.566 1.00 75.50 C ATOM 947 OD1 ASP A 60 22.911 7.230 -14.630 1.00 75.13 O ATOM 948 OD2 ASP A 60 20.948 8.142 -14.246 1.00 21.44 O ATOM 0 H ASP A 60 20.109 3.548 -15.077 1.00 52.43 H new ATOM 0 HA ASP A 60 22.154 4.727 -13.485 1.00 41.11 H new ATOM 0 HB2 ASP A 60 21.432 5.436 -15.797 1.00 50.24 H new ATOM 0 HB3 ASP A 60 19.935 6.034 -15.110 1.00 50.24 H new ATOM 953 N ARG A 61 19.067 4.954 -12.445 1.00 43.51 N ATOM 954 CA ARG A 61 18.225 5.363 -11.327 1.00 61.33 C ATOM 955 C ARG A 61 18.774 4.825 -10.009 1.00 14.23 C ATOM 956 O ARG A 61 18.844 5.547 -9.014 1.00 73.52 O ATOM 957 CB ARG A 61 16.792 4.870 -11.534 1.00 72.14 C ATOM 958 CG ARG A 61 15.784 5.991 -11.728 1.00 2.30 C ATOM 959 CD ARG A 61 16.172 6.895 -12.888 1.00 70.42 C ATOM 960 NE ARG A 61 16.844 8.110 -12.435 1.00 72.42 N ATOM 961 CZ ARG A 61 16.205 9.155 -11.923 1.00 13.30 C ATOM 962 NH1 ARG A 61 14.885 9.134 -11.799 1.00 12.20 N ATOM 963 NH2 ARG A 61 16.886 10.225 -11.533 1.00 41.10 N ATOM 0 H ARG A 61 18.598 4.364 -13.132 1.00 43.51 H new ATOM 0 HA ARG A 61 18.225 6.452 -11.283 1.00 61.33 H new ATOM 0 HB2 ARG A 61 16.765 4.214 -12.404 1.00 72.14 H new ATOM 0 HB3 ARG A 61 16.495 4.271 -10.673 1.00 72.14 H new ATOM 0 HG2 ARG A 61 14.797 5.566 -11.911 1.00 2.30 H new ATOM 0 HG3 ARG A 61 15.713 6.580 -10.814 1.00 2.30 H new ATOM 0 HD2 ARG A 61 16.827 6.351 -13.568 1.00 70.42 H new ATOM 0 HD3 ARG A 61 15.279 7.164 -13.452 1.00 70.42 H new ATOM 0 HE ARG A 61 17.860 8.158 -12.516 1.00 72.42 H new ATOM 0 HH11 ARG A 61 14.358 8.313 -12.097 1.00 12.20 H new ATOM 0 HH12 ARG A 61 14.397 9.938 -11.405 1.00 12.20 H new ATOM 0 HH21 ARG A 61 17.902 10.245 -11.626 1.00 41.10 H new ATOM 0 HH22 ARG A 61 16.394 11.027 -11.140 1.00 41.10 H new ATOM 977 N ALA A 62 19.161 3.554 -10.009 1.00 75.21 N ATOM 978 CA ALA A 62 19.704 2.920 -8.814 1.00 52.21 C ATOM 979 C ALA A 62 21.196 3.200 -8.674 1.00 43.35 C ATOM 980 O ALA A 62 21.682 3.501 -7.584 1.00 74.13 O ATOM 981 CB ALA A 62 19.447 1.421 -8.849 1.00 22.14 C ATOM 0 H ALA A 62 19.109 2.943 -10.824 1.00 75.21 H new ATOM 0 HA ALA A 62 19.199 3.344 -7.946 1.00 52.21 H new ATOM 0 HB1 ALA A 62 19.858 0.960 -7.951 1.00 22.14 H new ATOM 0 HB2 ALA A 62 18.374 1.237 -8.893 1.00 22.14 H new ATOM 0 HB3 ALA A 62 19.925 0.990 -9.729 1.00 22.14 H new ATOM 987 N ALA A 63 21.919 3.099 -9.785 1.00 41.01 N ATOM 988 CA ALA A 63 23.356 3.343 -9.786 1.00 61.12 C ATOM 989 C ALA A 63 23.683 4.701 -9.175 1.00 51.33 C ATOM 990 O ALA A 63 24.767 4.903 -8.628 1.00 1.12 O ATOM 991 CB ALA A 63 23.906 3.253 -11.202 1.00 74.12 C ATOM 0 H ALA A 63 21.533 2.850 -10.696 1.00 41.01 H new ATOM 0 HA ALA A 63 23.830 2.575 -9.174 1.00 61.12 H new ATOM 0 HB1 ALA A 63 24.980 3.437 -11.187 1.00 74.12 H new ATOM 0 HB2 ALA A 63 23.714 2.258 -11.604 1.00 74.12 H new ATOM 0 HB3 ALA A 63 23.418 3.999 -11.830 1.00 74.12 H new ATOM 997 N LYS A 64 22.739 5.631 -9.273 1.00 11.22 N ATOM 998 CA LYS A 64 22.925 6.971 -8.730 1.00 3.45 C ATOM 999 C LYS A 64 23.165 6.920 -7.224 1.00 61.40 C ATOM 1000 O LYS A 64 23.673 7.872 -6.634 1.00 31.15 O ATOM 1001 CB LYS A 64 21.703 7.841 -9.032 1.00 42.34 C ATOM 1002 CG LYS A 64 21.746 8.495 -10.403 1.00 24.13 C ATOM 1003 CD LYS A 64 22.240 9.930 -10.321 1.00 24.50 C ATOM 1004 CE LYS A 64 23.754 9.991 -10.179 1.00 75.35 C ATOM 1005 NZ LYS A 64 24.346 11.069 -11.019 1.00 31.14 N ATOM 0 H LYS A 64 21.837 5.481 -9.724 1.00 11.22 H new ATOM 0 HA LYS A 64 23.802 7.409 -9.206 1.00 3.45 H new ATOM 0 HB2 LYS A 64 20.804 7.229 -8.959 1.00 42.34 H new ATOM 0 HB3 LYS A 64 21.623 8.617 -8.271 1.00 42.34 H new ATOM 0 HG2 LYS A 64 22.399 7.921 -11.060 1.00 24.13 H new ATOM 0 HG3 LYS A 64 20.751 8.477 -10.847 1.00 24.13 H new ATOM 0 HD2 LYS A 64 21.935 10.473 -11.216 1.00 24.50 H new ATOM 0 HD3 LYS A 64 21.773 10.429 -9.471 1.00 24.50 H new ATOM 0 HE2 LYS A 64 24.014 10.160 -9.134 1.00 75.35 H new ATOM 0 HE3 LYS A 64 24.185 9.031 -10.463 1.00 75.35 H new ATOM 0 HZ1 LYS A 64 25.379 11.078 -10.895 1.00 31.14 H new ATOM 0 HZ2 LYS A 64 24.119 10.894 -12.019 1.00 31.14 H new ATOM 0 HZ3 LYS A 64 23.954 11.988 -10.731 1.00 31.14 H new ATOM 1019 N GLY A 65 22.797 5.800 -6.609 1.00 24.33 N ATOM 1020 CA GLY A 65 22.982 5.645 -5.178 1.00 20.34 C ATOM 1021 C GLY A 65 21.667 5.602 -4.425 1.00 2.14 C ATOM 1022 O GLY A 65 21.633 5.800 -3.211 1.00 31.15 O ATOM 0 H GLY A 65 22.374 4.998 -7.076 1.00 24.33 H new ATOM 0 HA2 GLY A 65 23.539 4.728 -4.984 1.00 20.34 H new ATOM 0 HA3 GLY A 65 23.586 6.470 -4.801 1.00 20.34 H new ATOM 1026 N ALA A 66 20.582 5.345 -5.147 1.00 34.12 N ATOM 1027 CA ALA A 66 19.258 5.277 -4.539 1.00 63.12 C ATOM 1028 C ALA A 66 19.006 6.480 -3.637 1.00 40.21 C ATOM 1029 O ALA A 66 18.905 6.344 -2.418 1.00 25.34 O ATOM 1030 CB ALA A 66 19.105 3.984 -3.753 1.00 34.43 C ATOM 0 H ALA A 66 20.593 5.180 -6.154 1.00 34.12 H new ATOM 0 HA ALA A 66 18.517 5.294 -5.338 1.00 63.12 H new ATOM 0 HB1 ALA A 66 18.112 3.946 -3.304 1.00 34.43 H new ATOM 0 HB2 ALA A 66 19.233 3.134 -4.423 1.00 34.43 H new ATOM 0 HB3 ALA A 66 19.860 3.944 -2.968 1.00 34.43 H new ATOM 1036 N TYR A 67 18.905 7.658 -4.244 1.00 24.43 N ATOM 1037 CA TYR A 67 18.668 8.886 -3.494 1.00 70.44 C ATOM 1038 C TYR A 67 17.503 8.715 -2.525 1.00 14.35 C ATOM 1039 O TYR A 67 17.483 9.312 -1.449 1.00 12.20 O ATOM 1040 CB TYR A 67 18.385 10.045 -4.451 1.00 74.11 C ATOM 1041 CG TYR A 67 19.387 11.172 -4.350 1.00 11.42 C ATOM 1042 CD1 TYR A 67 20.725 10.970 -4.665 1.00 74.24 C ATOM 1043 CD2 TYR A 67 18.996 12.441 -3.939 1.00 54.03 C ATOM 1044 CE1 TYR A 67 21.644 11.997 -4.573 1.00 73.14 C ATOM 1045 CE2 TYR A 67 19.908 13.475 -3.846 1.00 35.51 C ATOM 1046 CZ TYR A 67 21.230 13.247 -4.163 1.00 44.45 C ATOM 1047 OH TYR A 67 22.143 14.274 -4.072 1.00 33.40 O ATOM 0 H TYR A 67 18.984 7.788 -5.253 1.00 24.43 H new ATOM 0 HA TYR A 67 19.566 9.110 -2.918 1.00 70.44 H new ATOM 0 HB2 TYR A 67 18.378 9.667 -5.473 1.00 74.11 H new ATOM 0 HB3 TYR A 67 17.388 10.437 -4.249 1.00 74.11 H new ATOM 0 HD1 TYR A 67 21.052 9.993 -4.988 1.00 74.24 H new ATOM 0 HD2 TYR A 67 17.961 12.622 -3.688 1.00 54.03 H new ATOM 0 HE1 TYR A 67 22.681 11.822 -4.821 1.00 73.14 H new ATOM 0 HE2 TYR A 67 19.587 14.456 -3.527 1.00 35.51 H new ATOM 0 HH TYR A 67 21.690 15.089 -3.770 1.00 33.40 H new ATOM 1057 N GLY A 68 16.532 7.895 -2.914 1.00 72.52 N ATOM 1058 CA GLY A 68 15.376 7.659 -2.069 1.00 71.31 C ATOM 1059 C GLY A 68 14.403 8.821 -2.080 1.00 2.24 C ATOM 1060 O GLY A 68 14.309 9.552 -3.066 1.00 5.42 O ATOM 0 H GLY A 68 16.525 7.389 -3.800 1.00 72.52 H new ATOM 0 HA2 GLY A 68 14.864 6.757 -2.403 1.00 71.31 H new ATOM 0 HA3 GLY A 68 15.708 7.477 -1.047 1.00 71.31 H new ATOM 1064 N TYR A 69 13.676 8.992 -0.981 1.00 61.11 N ATOM 1065 CA TYR A 69 12.702 10.071 -0.869 1.00 43.42 C ATOM 1066 C TYR A 69 11.688 10.010 -2.007 1.00 43.54 C ATOM 1067 O TYR A 69 11.916 10.558 -3.086 1.00 72.04 O ATOM 1068 CB TYR A 69 13.410 11.427 -0.874 1.00 0.43 C ATOM 1069 CG TYR A 69 13.607 12.012 0.507 1.00 51.33 C ATOM 1070 CD1 TYR A 69 12.540 12.142 1.387 1.00 74.33 C ATOM 1071 CD2 TYR A 69 14.861 12.435 0.931 1.00 32.41 C ATOM 1072 CE1 TYR A 69 12.715 12.676 2.648 1.00 10.34 C ATOM 1073 CE2 TYR A 69 15.046 12.969 2.192 1.00 73.04 C ATOM 1074 CZ TYR A 69 13.970 13.088 3.046 1.00 12.23 C ATOM 1075 OH TYR A 69 14.149 13.620 4.303 1.00 72.22 O ATOM 0 H TYR A 69 13.743 8.397 -0.155 1.00 61.11 H new ATOM 0 HA TYR A 69 12.170 9.950 0.074 1.00 43.42 H new ATOM 0 HB2 TYR A 69 14.382 11.318 -1.356 1.00 0.43 H new ATOM 0 HB3 TYR A 69 12.832 12.127 -1.477 1.00 0.43 H new ATOM 0 HD1 TYR A 69 11.556 11.820 1.079 1.00 74.33 H new ATOM 0 HD2 TYR A 69 15.705 12.345 0.264 1.00 32.41 H new ATOM 0 HE1 TYR A 69 11.874 12.771 3.319 1.00 10.34 H new ATOM 0 HE2 TYR A 69 16.028 13.291 2.507 1.00 73.04 H new ATOM 0 HH TYR A 69 15.091 13.859 4.426 1.00 72.22 H new ATOM 1085 N ASP A 70 10.568 9.341 -1.758 1.00 3.22 N ATOM 1086 CA ASP A 70 9.517 9.209 -2.760 1.00 1.12 C ATOM 1087 C ASP A 70 8.141 9.166 -2.102 1.00 4.42 C ATOM 1088 O ASP A 70 7.868 8.305 -1.266 1.00 10.02 O ATOM 1089 CB ASP A 70 9.736 7.947 -3.596 1.00 14.11 C ATOM 1090 CG ASP A 70 9.512 8.187 -5.076 1.00 14.20 C ATOM 1091 OD1 ASP A 70 8.580 8.944 -5.420 1.00 55.13 O ATOM 1092 OD2 ASP A 70 10.269 7.619 -5.890 1.00 51.10 O ATOM 0 H ASP A 70 10.364 8.881 -0.870 1.00 3.22 H new ATOM 0 HA ASP A 70 9.560 10.080 -3.413 1.00 1.12 H new ATOM 0 HB2 ASP A 70 10.751 7.583 -3.440 1.00 14.11 H new ATOM 0 HB3 ASP A 70 9.060 7.165 -3.251 1.00 14.11 H new ATOM 1097 N VAL A 71 7.279 10.103 -2.484 1.00 72.21 N ATOM 1098 CA VAL A 71 5.931 10.172 -1.931 1.00 44.35 C ATOM 1099 C VAL A 71 5.155 8.891 -2.213 1.00 60.12 C ATOM 1100 O VAL A 71 4.221 8.548 -1.489 1.00 54.53 O ATOM 1101 CB VAL A 71 5.150 11.369 -2.506 1.00 5.45 C ATOM 1102 CG1 VAL A 71 4.848 11.152 -3.980 1.00 75.12 C ATOM 1103 CG2 VAL A 71 3.869 11.597 -1.717 1.00 63.54 C ATOM 0 H VAL A 71 7.490 10.824 -3.174 1.00 72.21 H new ATOM 0 HA VAL A 71 6.037 10.299 -0.854 1.00 44.35 H new ATOM 0 HB VAL A 71 5.769 12.262 -2.416 1.00 5.45 H new ATOM 0 HG11 VAL A 71 4.296 12.008 -4.368 1.00 75.12 H new ATOM 0 HG12 VAL A 71 5.782 11.043 -4.531 1.00 75.12 H new ATOM 0 HG13 VAL A 71 4.249 10.249 -4.100 1.00 75.12 H new ATOM 0 HG21 VAL A 71 3.330 12.446 -2.136 1.00 63.54 H new ATOM 0 HG22 VAL A 71 3.244 10.706 -1.773 1.00 63.54 H new ATOM 0 HG23 VAL A 71 4.115 11.802 -0.675 1.00 63.54 H new ATOM 1113 N GLN A 72 5.549 8.187 -3.269 1.00 61.14 N ATOM 1114 CA GLN A 72 4.889 6.943 -3.647 1.00 24.52 C ATOM 1115 C GLN A 72 5.553 6.325 -4.873 1.00 61.40 C ATOM 1116 O GLN A 72 4.876 5.871 -5.796 1.00 72.04 O ATOM 1117 CB GLN A 72 3.406 7.191 -3.926 1.00 41.31 C ATOM 1118 CG GLN A 72 2.498 6.079 -3.427 1.00 1.12 C ATOM 1119 CD GLN A 72 1.884 6.389 -2.076 1.00 2.22 C ATOM 1120 OE1 GLN A 72 0.707 6.736 -1.981 1.00 55.31 O ATOM 1121 NE2 GLN A 72 2.681 6.265 -1.021 1.00 12.33 N ATOM 0 H GLN A 72 6.322 8.457 -3.878 1.00 61.14 H new ATOM 0 HA GLN A 72 4.982 6.245 -2.815 1.00 24.52 H new ATOM 0 HB2 GLN A 72 3.109 8.129 -3.457 1.00 41.31 H new ATOM 0 HB3 GLN A 72 3.262 7.312 -5.000 1.00 41.31 H new ATOM 0 HG2 GLN A 72 1.703 5.911 -4.153 1.00 1.12 H new ATOM 0 HG3 GLN A 72 3.068 5.153 -3.359 1.00 1.12 H new ATOM 0 HE21 GLN A 72 3.651 5.974 -1.146 1.00 12.33 H new ATOM 0 HE22 GLN A 72 2.323 6.460 -0.086 1.00 12.33 H new ATOM 1130 N LEU A 73 6.881 6.310 -4.876 1.00 45.22 N ATOM 1131 CA LEU A 73 7.638 5.748 -5.990 1.00 32.13 C ATOM 1132 C LEU A 73 7.215 6.382 -7.311 1.00 10.42 C ATOM 1133 O LEU A 73 7.077 5.698 -8.325 1.00 53.03 O ATOM 1134 CB LEU A 73 7.440 4.232 -6.052 1.00 43.45 C ATOM 1135 CG LEU A 73 7.845 3.450 -4.802 1.00 50.43 C ATOM 1136 CD1 LEU A 73 9.147 3.992 -4.232 1.00 71.43 C ATOM 1137 CD2 LEU A 73 6.740 3.505 -3.758 1.00 13.42 C ATOM 0 H LEU A 73 7.456 6.680 -4.120 1.00 45.22 H new ATOM 0 HA LEU A 73 8.694 5.965 -5.826 1.00 32.13 H new ATOM 0 HB2 LEU A 73 6.388 4.031 -6.257 1.00 43.45 H new ATOM 0 HB3 LEU A 73 8.009 3.846 -6.898 1.00 43.45 H new ATOM 0 HG LEU A 73 8.001 2.408 -5.083 1.00 50.43 H new ATOM 0 HD11 LEU A 73 9.420 3.423 -3.343 1.00 71.43 H new ATOM 0 HD12 LEU A 73 9.937 3.900 -4.978 1.00 71.43 H new ATOM 0 HD13 LEU A 73 9.019 5.041 -3.966 1.00 71.43 H new ATOM 0 HD21 LEU A 73 7.045 2.943 -2.875 1.00 13.42 H new ATOM 0 HD22 LEU A 73 6.552 4.542 -3.481 1.00 13.42 H new ATOM 0 HD23 LEU A 73 5.829 3.069 -4.169 1.00 13.42 H new ATOM 1149 N THR A 74 7.013 7.696 -7.292 1.00 54.34 N ATOM 1150 CA THR A 74 6.607 8.424 -8.488 1.00 72.13 C ATOM 1151 C THR A 74 7.791 8.655 -9.420 1.00 22.32 C ATOM 1152 O THR A 74 7.617 8.923 -10.609 1.00 13.41 O ATOM 1153 CB THR A 74 5.976 9.783 -8.132 1.00 10.22 C ATOM 1154 OG1 THR A 74 4.900 9.596 -7.206 1.00 1.25 O ATOM 1155 CG2 THR A 74 5.461 10.485 -9.380 1.00 23.23 C ATOM 0 H THR A 74 7.124 8.278 -6.461 1.00 54.34 H new ATOM 0 HA THR A 74 5.864 7.808 -8.995 1.00 72.13 H new ATOM 0 HB THR A 74 6.744 10.406 -7.675 1.00 10.22 H new ATOM 0 HG1 THR A 74 4.505 10.465 -6.983 1.00 1.25 H new ATOM 0 HG21 THR A 74 5.020 11.442 -9.103 1.00 23.23 H new ATOM 0 HG22 THR A 74 6.288 10.652 -10.071 1.00 23.23 H new ATOM 0 HG23 THR A 74 4.706 9.864 -9.862 1.00 23.23 H new ATOM 1163 N THR A 75 8.998 8.548 -8.873 1.00 22.13 N ATOM 1164 CA THR A 75 10.212 8.745 -9.655 1.00 10.42 C ATOM 1165 C THR A 75 10.327 7.705 -10.763 1.00 43.32 C ATOM 1166 O THR A 75 10.557 8.044 -11.925 1.00 73.11 O ATOM 1167 CB THR A 75 11.469 8.675 -8.768 1.00 4.52 C ATOM 1168 OG1 THR A 75 11.588 7.371 -8.188 1.00 42.44 O ATOM 1169 CG2 THR A 75 11.413 9.722 -7.666 1.00 1.53 C ATOM 0 H THR A 75 9.161 8.326 -7.891 1.00 22.13 H new ATOM 0 HA THR A 75 10.144 9.738 -10.099 1.00 10.42 H new ATOM 0 HB THR A 75 12.339 8.875 -9.393 1.00 4.52 H new ATOM 0 HG1 THR A 75 10.943 7.278 -7.456 1.00 42.44 H new ATOM 0 HG21 THR A 75 12.311 9.653 -7.053 1.00 1.53 H new ATOM 0 HG22 THR A 75 11.352 10.715 -8.111 1.00 1.53 H new ATOM 0 HG23 THR A 75 10.535 9.549 -7.044 1.00 1.53 H new ATOM 1177 N LEU A 76 10.166 6.438 -10.398 1.00 4.30 N ATOM 1178 CA LEU A 76 10.252 5.347 -11.363 1.00 13.24 C ATOM 1179 C LEU A 76 8.978 5.257 -12.196 1.00 74.34 C ATOM 1180 O LEU A 76 9.025 4.983 -13.396 1.00 25.42 O ATOM 1181 CB LEU A 76 10.498 4.021 -10.642 1.00 22.24 C ATOM 1182 CG LEU A 76 11.959 3.679 -10.346 1.00 10.12 C ATOM 1183 CD1 LEU A 76 12.692 3.316 -11.628 1.00 24.25 C ATOM 1184 CD2 LEU A 76 12.648 4.842 -9.646 1.00 54.04 C ATOM 0 H LEU A 76 9.975 6.141 -9.441 1.00 4.30 H new ATOM 0 HA LEU A 76 11.088 5.550 -12.032 1.00 13.24 H new ATOM 0 HB2 LEU A 76 9.951 4.036 -9.699 1.00 22.24 H new ATOM 0 HB3 LEU A 76 10.073 3.218 -11.245 1.00 22.24 H new ATOM 0 HG LEU A 76 11.983 2.816 -9.681 1.00 10.12 H new ATOM 0 HD11 LEU A 76 13.730 3.076 -11.398 1.00 24.25 H new ATOM 0 HD12 LEU A 76 12.213 2.452 -12.089 1.00 24.25 H new ATOM 0 HD13 LEU A 76 12.659 4.160 -12.317 1.00 24.25 H new ATOM 0 HD21 LEU A 76 13.687 4.581 -9.443 1.00 54.04 H new ATOM 0 HD22 LEU A 76 12.614 5.724 -10.286 1.00 54.04 H new ATOM 0 HD23 LEU A 76 12.138 5.055 -8.707 1.00 54.04 H new ATOM 1196 N LYS A 77 7.838 5.491 -11.554 1.00 24.11 N ATOM 1197 CA LYS A 77 6.551 5.440 -12.236 1.00 35.34 C ATOM 1198 C LYS A 77 6.457 6.524 -13.304 1.00 51.31 C ATOM 1199 O LYS A 77 5.959 6.283 -14.403 1.00 15.40 O ATOM 1200 CB LYS A 77 5.410 5.602 -11.228 1.00 22.11 C ATOM 1201 CG LYS A 77 4.300 4.579 -11.395 1.00 64.54 C ATOM 1202 CD LYS A 77 4.777 3.178 -11.050 1.00 70.42 C ATOM 1203 CE LYS A 77 5.144 3.060 -9.579 1.00 15.33 C ATOM 1204 NZ LYS A 77 6.602 2.827 -9.387 1.00 73.32 N ATOM 0 H LYS A 77 7.780 5.718 -10.561 1.00 24.11 H new ATOM 0 HA LYS A 77 6.464 4.468 -12.722 1.00 35.34 H new ATOM 0 HB2 LYS A 77 5.815 5.525 -10.219 1.00 22.11 H new ATOM 0 HB3 LYS A 77 4.988 6.602 -11.327 1.00 22.11 H new ATOM 0 HG2 LYS A 77 3.459 4.846 -10.755 1.00 64.54 H new ATOM 0 HG3 LYS A 77 3.938 4.598 -12.423 1.00 64.54 H new ATOM 0 HD2 LYS A 77 3.995 2.457 -11.290 1.00 70.42 H new ATOM 0 HD3 LYS A 77 5.642 2.926 -11.663 1.00 70.42 H new ATOM 0 HE2 LYS A 77 4.850 3.971 -9.057 1.00 15.33 H new ATOM 0 HE3 LYS A 77 4.583 2.240 -9.130 1.00 15.33 H new ATOM 0 HZ1 LYS A 77 6.743 2.008 -8.762 1.00 73.32 H new ATOM 0 HZ2 LYS A 77 7.048 2.641 -10.308 1.00 73.32 H new ATOM 0 HZ3 LYS A 77 7.034 3.669 -8.956 1.00 73.32 H new ATOM 1218 N GLU A 78 6.941 7.718 -12.974 1.00 33.43 N ATOM 1219 CA GLU A 78 6.911 8.838 -13.907 1.00 24.04 C ATOM 1220 C GLU A 78 8.029 8.716 -14.939 1.00 33.12 C ATOM 1221 O GLU A 78 7.931 9.254 -16.042 1.00 32.22 O ATOM 1222 CB GLU A 78 7.042 10.163 -13.152 1.00 30.52 C ATOM 1223 CG GLU A 78 6.680 11.378 -13.988 1.00 53.13 C ATOM 1224 CD GLU A 78 7.686 12.504 -13.848 1.00 33.13 C ATOM 1225 OE1 GLU A 78 7.794 13.068 -12.739 1.00 44.32 O ATOM 1226 OE2 GLU A 78 8.365 12.820 -14.847 1.00 53.21 O ATOM 0 H GLU A 78 7.358 7.934 -12.069 1.00 33.43 H new ATOM 0 HA GLU A 78 5.954 8.818 -14.429 1.00 24.04 H new ATOM 0 HB2 GLU A 78 6.401 10.134 -12.271 1.00 30.52 H new ATOM 0 HB3 GLU A 78 8.067 10.269 -12.797 1.00 30.52 H new ATOM 0 HG2 GLU A 78 6.611 11.086 -15.036 1.00 53.13 H new ATOM 0 HG3 GLU A 78 5.695 11.737 -13.692 1.00 53.13 H new ATOM 1233 N ASP A 79 9.090 8.006 -14.572 1.00 32.21 N ATOM 1234 CA ASP A 79 10.226 7.812 -15.465 1.00 61.11 C ATOM 1235 C ASP A 79 9.921 6.742 -16.509 1.00 33.03 C ATOM 1236 O ASP A 79 10.128 6.951 -17.704 1.00 74.35 O ATOM 1237 CB ASP A 79 11.470 7.422 -14.665 1.00 70.52 C ATOM 1238 CG ASP A 79 12.246 8.628 -14.176 1.00 41.51 C ATOM 1239 OD1 ASP A 79 11.607 9.609 -13.741 1.00 34.05 O ATOM 1240 OD2 ASP A 79 13.493 8.592 -14.228 1.00 1.30 O ATOM 0 H ASP A 79 9.187 7.555 -13.662 1.00 32.21 H new ATOM 0 HA ASP A 79 10.416 8.753 -15.981 1.00 61.11 H new ATOM 0 HB2 ASP A 79 11.173 6.814 -13.810 1.00 70.52 H new ATOM 0 HB3 ASP A 79 12.118 6.804 -15.286 1.00 70.52 H new ATOM 1245 N ILE A 80 9.429 5.597 -16.048 1.00 71.21 N ATOM 1246 CA ILE A 80 9.095 4.495 -16.942 1.00 24.22 C ATOM 1247 C ILE A 80 8.016 4.903 -17.939 1.00 31.24 C ATOM 1248 O ILE A 80 8.044 4.496 -19.100 1.00 51.44 O ATOM 1249 CB ILE A 80 8.614 3.260 -16.158 1.00 32.14 C ATOM 1250 CG1 ILE A 80 8.311 2.106 -17.116 1.00 11.30 C ATOM 1251 CG2 ILE A 80 7.385 3.604 -15.330 1.00 11.44 C ATOM 1252 CD1 ILE A 80 9.482 1.728 -17.995 1.00 70.15 C ATOM 0 H ILE A 80 9.253 5.408 -15.061 1.00 71.21 H new ATOM 0 HA ILE A 80 10.007 4.240 -17.482 1.00 24.22 H new ATOM 0 HB ILE A 80 9.409 2.946 -15.481 1.00 32.14 H new ATOM 0 HG12 ILE A 80 8.005 1.234 -16.537 1.00 11.30 H new ATOM 0 HG13 ILE A 80 7.467 2.381 -17.748 1.00 11.30 H new ATOM 0 HG21 ILE A 80 7.057 2.721 -14.782 1.00 11.44 H new ATOM 0 HG22 ILE A 80 7.632 4.398 -14.625 1.00 11.44 H new ATOM 0 HG23 ILE A 80 6.585 3.940 -15.989 1.00 11.44 H new ATOM 0 HD11 ILE A 80 9.196 0.904 -18.648 1.00 70.15 H new ATOM 0 HD12 ILE A 80 9.774 2.586 -18.600 1.00 70.15 H new ATOM 0 HD13 ILE A 80 10.321 1.422 -17.371 1.00 70.15 H new ATOM 1264 N ARG A 81 7.067 5.710 -17.477 1.00 15.01 N ATOM 1265 CA ARG A 81 5.978 6.174 -18.328 1.00 53.11 C ATOM 1266 C ARG A 81 6.470 7.229 -19.314 1.00 43.22 C ATOM 1267 O ARG A 81 5.973 7.325 -20.437 1.00 42.21 O ATOM 1268 CB ARG A 81 4.844 6.747 -17.475 1.00 42.35 C ATOM 1269 CG ARG A 81 5.152 8.118 -16.895 1.00 20.11 C ATOM 1270 CD ARG A 81 3.978 8.661 -16.096 1.00 33.12 C ATOM 1271 NE ARG A 81 3.543 7.729 -15.059 1.00 61.42 N ATOM 1272 CZ ARG A 81 2.377 7.821 -14.430 1.00 72.41 C ATOM 1273 NH1 ARG A 81 1.533 8.798 -14.731 1.00 73.31 N ATOM 1274 NH2 ARG A 81 2.053 6.934 -13.498 1.00 34.40 N ATOM 0 H ARG A 81 7.030 6.056 -16.518 1.00 15.01 H new ATOM 0 HA ARG A 81 5.603 5.320 -18.893 1.00 53.11 H new ATOM 0 HB2 ARG A 81 3.941 6.813 -18.082 1.00 42.35 H new ATOM 0 HB3 ARG A 81 4.629 6.056 -16.659 1.00 42.35 H new ATOM 0 HG2 ARG A 81 6.031 8.054 -16.254 1.00 20.11 H new ATOM 0 HG3 ARG A 81 5.395 8.809 -17.702 1.00 20.11 H new ATOM 0 HD2 ARG A 81 4.260 9.609 -15.637 1.00 33.12 H new ATOM 0 HD3 ARG A 81 3.146 8.868 -16.769 1.00 33.12 H new ATOM 0 HE ARG A 81 4.169 6.965 -14.804 1.00 61.42 H new ATOM 0 HH11 ARG A 81 1.779 9.481 -15.447 1.00 73.31 H new ATOM 0 HH12 ARG A 81 0.638 8.866 -14.246 1.00 73.31 H new ATOM 0 HH21 ARG A 81 2.700 6.181 -13.264 1.00 34.40 H new ATOM 0 HH22 ARG A 81 1.157 7.005 -13.015 1.00 34.40 H new ATOM 1288 N LEU A 82 7.449 8.019 -18.887 1.00 64.03 N ATOM 1289 CA LEU A 82 8.010 9.068 -19.732 1.00 74.02 C ATOM 1290 C LEU A 82 8.839 8.470 -20.865 1.00 12.55 C ATOM 1291 O LEU A 82 8.752 8.912 -22.010 1.00 23.00 O ATOM 1292 CB LEU A 82 8.873 10.016 -18.898 1.00 21.43 C ATOM 1293 CG LEU A 82 9.320 11.303 -19.591 1.00 54.12 C ATOM 1294 CD1 LEU A 82 10.462 11.022 -20.554 1.00 64.14 C ATOM 1295 CD2 LEU A 82 8.151 11.948 -20.321 1.00 52.54 C ATOM 0 H LEU A 82 7.871 7.953 -17.961 1.00 64.03 H new ATOM 0 HA LEU A 82 7.184 9.629 -20.168 1.00 74.02 H new ATOM 0 HB2 LEU A 82 8.317 10.285 -18.000 1.00 21.43 H new ATOM 0 HB3 LEU A 82 9.762 9.475 -18.573 1.00 21.43 H new ATOM 0 HG LEU A 82 9.676 11.998 -18.831 1.00 54.12 H new ATOM 0 HD11 LEU A 82 10.767 11.950 -21.038 1.00 64.14 H new ATOM 0 HD12 LEU A 82 11.306 10.605 -20.005 1.00 64.14 H new ATOM 0 HD13 LEU A 82 10.133 10.309 -21.310 1.00 64.14 H new ATOM 0 HD21 LEU A 82 8.487 12.863 -20.809 1.00 52.54 H new ATOM 0 HD22 LEU A 82 7.765 11.258 -21.071 1.00 52.54 H new ATOM 0 HD23 LEU A 82 7.363 12.186 -19.607 1.00 52.54 H new ATOM 1307 N MET A 83 9.640 7.463 -20.536 1.00 24.41 N ATOM 1308 CA MET A 83 10.482 6.802 -21.527 1.00 5.25 C ATOM 1309 C MET A 83 9.633 6.107 -22.586 1.00 11.31 C ATOM 1310 O MET A 83 9.810 6.332 -23.783 1.00 70.33 O ATOM 1311 CB MET A 83 11.404 5.787 -20.848 1.00 71.43 C ATOM 1312 CG MET A 83 12.747 6.366 -20.434 1.00 51.03 C ATOM 1313 SD MET A 83 12.582 7.784 -19.333 1.00 33.13 S ATOM 1314 CE MET A 83 14.256 8.419 -19.345 1.00 25.24 C ATOM 0 H MET A 83 9.724 7.086 -19.592 1.00 24.41 H new ATOM 0 HA MET A 83 11.089 7.563 -22.017 1.00 5.25 H new ATOM 0 HB2 MET A 83 10.903 5.387 -19.967 1.00 71.43 H new ATOM 0 HB3 MET A 83 11.572 4.951 -21.527 1.00 71.43 H new ATOM 0 HG2 MET A 83 13.335 5.593 -19.939 1.00 51.03 H new ATOM 0 HG3 MET A 83 13.300 6.665 -21.325 1.00 51.03 H new ATOM 0 HE1 MET A 83 14.530 8.741 -18.340 1.00 25.24 H new ATOM 0 HE2 MET A 83 14.940 7.637 -19.675 1.00 25.24 H new ATOM 0 HE3 MET A 83 14.319 9.267 -20.027 1.00 25.24 H new ATOM 1324 N VAL A 84 8.710 5.262 -22.137 1.00 51.43 N ATOM 1325 CA VAL A 84 7.832 4.535 -23.047 1.00 4.42 C ATOM 1326 C VAL A 84 7.038 5.493 -23.927 1.00 40.52 C ATOM 1327 O VAL A 84 6.774 5.206 -25.094 1.00 1.12 O ATOM 1328 CB VAL A 84 6.852 3.630 -22.277 1.00 40.32 C ATOM 1329 CG1 VAL A 84 6.023 4.450 -21.301 1.00 14.23 C ATOM 1330 CG2 VAL A 84 5.956 2.872 -23.245 1.00 1.02 C ATOM 0 H VAL A 84 8.551 5.064 -21.149 1.00 51.43 H new ATOM 0 HA VAL A 84 8.471 3.914 -23.676 1.00 4.42 H new ATOM 0 HB VAL A 84 7.428 2.903 -21.705 1.00 40.32 H new ATOM 0 HG11 VAL A 84 5.336 3.794 -20.766 1.00 14.23 H new ATOM 0 HG12 VAL A 84 6.683 4.943 -20.588 1.00 14.23 H new ATOM 0 HG13 VAL A 84 5.454 5.201 -21.849 1.00 14.23 H new ATOM 0 HG21 VAL A 84 5.270 2.237 -22.685 1.00 1.02 H new ATOM 0 HG22 VAL A 84 5.386 3.582 -23.845 1.00 1.02 H new ATOM 0 HG23 VAL A 84 6.569 2.253 -23.900 1.00 1.02 H new ATOM 1340 N ASN A 85 6.660 6.634 -23.360 1.00 10.43 N ATOM 1341 CA ASN A 85 5.895 7.636 -24.093 1.00 41.24 C ATOM 1342 C ASN A 85 6.650 8.093 -25.338 1.00 0.10 C ATOM 1343 O ASN A 85 6.073 8.208 -26.419 1.00 5.15 O ATOM 1344 CB ASN A 85 5.596 8.838 -23.195 1.00 74.00 C ATOM 1345 CG ASN A 85 4.246 8.727 -22.512 1.00 50.22 C ATOM 1346 OD1 ASN A 85 3.286 8.218 -23.090 1.00 15.01 O ATOM 1347 ND2 ASN A 85 4.168 9.205 -21.276 1.00 13.42 N ATOM 0 H ASN A 85 6.871 6.888 -22.395 1.00 10.43 H new ATOM 0 HA ASN A 85 4.955 7.182 -24.405 1.00 41.24 H new ATOM 0 HB2 ASN A 85 6.376 8.927 -22.439 1.00 74.00 H new ATOM 0 HB3 ASN A 85 5.625 9.750 -23.791 1.00 74.00 H new ATOM 0 HD21 ASN A 85 3.286 9.159 -20.766 1.00 13.42 H new ATOM 0 HD22 ASN A 85 4.990 9.619 -20.836 1.00 13.42 H new ATOM 1354 N ASN A 86 7.944 8.352 -25.177 1.00 72.50 N ATOM 1355 CA ASN A 86 8.778 8.796 -26.287 1.00 64.25 C ATOM 1356 C ASN A 86 9.233 7.611 -27.134 1.00 64.10 C ATOM 1357 O ASN A 86 9.594 7.771 -28.301 1.00 24.34 O ATOM 1358 CB ASN A 86 9.996 9.560 -25.764 1.00 11.24 C ATOM 1359 CG ASN A 86 10.524 10.566 -26.769 1.00 34.42 C ATOM 1360 OD1 ASN A 86 11.600 10.384 -27.339 1.00 13.03 O ATOM 1361 ND2 ASN A 86 9.766 11.634 -26.991 1.00 23.45 N ATOM 0 H ASN A 86 8.437 8.262 -24.289 1.00 72.50 H new ATOM 0 HA ASN A 86 8.182 9.460 -26.913 1.00 64.25 H new ATOM 0 HB2 ASN A 86 9.729 10.077 -24.843 1.00 11.24 H new ATOM 0 HB3 ASN A 86 10.786 8.852 -25.514 1.00 11.24 H new ATOM 0 HD21 ASN A 86 10.069 12.345 -27.657 1.00 23.45 H new ATOM 0 HD22 ASN A 86 8.881 11.743 -26.496 1.00 23.45 H new ATOM 1368 N CYS A 87 9.213 6.423 -26.539 1.00 52.51 N ATOM 1369 CA CYS A 87 9.623 5.211 -27.238 1.00 64.20 C ATOM 1370 C CYS A 87 8.712 4.935 -28.429 1.00 72.13 C ATOM 1371 O CYS A 87 9.181 4.750 -29.553 1.00 11.43 O ATOM 1372 CB CYS A 87 9.610 4.017 -26.282 1.00 75.14 C ATOM 1373 SG CYS A 87 11.072 3.900 -25.226 1.00 1.24 S ATOM 0 H CYS A 87 8.917 6.274 -25.574 1.00 52.51 H new ATOM 0 HA CYS A 87 10.638 5.360 -27.608 1.00 64.20 H new ATOM 0 HB2 CYS A 87 8.724 4.080 -25.651 1.00 75.14 H new ATOM 0 HB3 CYS A 87 9.522 3.100 -26.865 1.00 75.14 H new ATOM 0 HG CYS A 87 11.062 4.871 -24.362 1.00 1.24 H new ATOM 1379 N ILE A 88 7.408 4.906 -28.176 1.00 12.44 N ATOM 1380 CA ILE A 88 6.431 4.652 -29.227 1.00 51.21 C ATOM 1381 C ILE A 88 6.158 5.913 -30.040 1.00 61.15 C ATOM 1382 O ILE A 88 5.847 5.842 -31.230 1.00 53.22 O ATOM 1383 CB ILE A 88 5.103 4.131 -28.647 1.00 55.34 C ATOM 1384 CG1 ILE A 88 4.470 5.186 -27.737 1.00 72.10 C ATOM 1385 CG2 ILE A 88 5.329 2.834 -27.886 1.00 24.10 C ATOM 1386 CD1 ILE A 88 3.304 5.911 -28.372 1.00 43.40 C ATOM 0 H ILE A 88 7.004 5.055 -27.252 1.00 12.44 H new ATOM 0 HA ILE A 88 6.858 3.889 -29.877 1.00 51.21 H new ATOM 0 HB ILE A 88 4.418 3.931 -29.471 1.00 55.34 H new ATOM 0 HG12 ILE A 88 4.132 4.706 -26.818 1.00 72.10 H new ATOM 0 HG13 ILE A 88 5.230 5.914 -27.455 1.00 72.10 H new ATOM 0 HG21 ILE A 88 4.381 2.479 -27.482 1.00 24.10 H new ATOM 0 HG22 ILE A 88 5.740 2.083 -28.561 1.00 24.10 H new ATOM 0 HG23 ILE A 88 6.028 3.009 -27.069 1.00 24.10 H new ATOM 0 HD11 ILE A 88 2.905 6.643 -27.670 1.00 43.40 H new ATOM 0 HD12 ILE A 88 3.640 6.420 -29.275 1.00 43.40 H new ATOM 0 HD13 ILE A 88 2.525 5.193 -28.629 1.00 43.40 H new ATOM 1398 N LEU A 89 6.279 7.066 -29.392 1.00 55.01 N ATOM 1399 CA LEU A 89 6.047 8.345 -30.055 1.00 71.55 C ATOM 1400 C LEU A 89 7.187 8.675 -31.013 1.00 52.44 C ATOM 1401 O LEU A 89 7.002 8.699 -32.230 1.00 51.34 O ATOM 1402 CB LEU A 89 5.897 9.459 -29.019 1.00 13.40 C ATOM 1403 CG LEU A 89 5.577 10.850 -29.570 1.00 21.51 C ATOM 1404 CD1 LEU A 89 4.325 11.409 -28.913 1.00 51.10 C ATOM 1405 CD2 LEU A 89 6.756 11.789 -29.363 1.00 12.33 C ATOM 0 H LEU A 89 6.536 7.142 -28.408 1.00 55.01 H new ATOM 0 HA LEU A 89 5.124 8.267 -30.630 1.00 71.55 H new ATOM 0 HB2 LEU A 89 5.108 9.176 -28.322 1.00 13.40 H new ATOM 0 HB3 LEU A 89 6.822 9.521 -28.445 1.00 13.40 H new ATOM 0 HG LEU A 89 5.392 10.763 -30.641 1.00 21.51 H new ATOM 0 HD11 LEU A 89 4.113 12.399 -29.317 1.00 51.10 H new ATOM 0 HD12 LEU A 89 3.482 10.747 -29.113 1.00 51.10 H new ATOM 0 HD13 LEU A 89 4.481 11.482 -27.837 1.00 51.10 H new ATOM 0 HD21 LEU A 89 6.511 12.774 -29.761 1.00 12.33 H new ATOM 0 HD22 LEU A 89 6.973 11.871 -28.298 1.00 12.33 H new ATOM 0 HD23 LEU A 89 7.630 11.395 -29.882 1.00 12.33 H new ATOM 1417 N PHE A 90 8.367 8.928 -30.456 1.00 55.12 N ATOM 1418 CA PHE A 90 9.537 9.256 -31.261 1.00 45.30 C ATOM 1419 C PHE A 90 9.801 8.175 -32.304 1.00 71.54 C ATOM 1420 O PHE A 90 9.768 8.435 -33.506 1.00 54.32 O ATOM 1421 CB PHE A 90 10.766 9.427 -30.366 1.00 4.14 C ATOM 1422 CG PHE A 90 11.800 10.355 -30.937 1.00 62.21 C ATOM 1423 CD1 PHE A 90 12.345 10.119 -32.189 1.00 53.53 C ATOM 1424 CD2 PHE A 90 12.227 11.462 -30.222 1.00 41.34 C ATOM 1425 CE1 PHE A 90 13.297 10.971 -32.717 1.00 13.20 C ATOM 1426 CE2 PHE A 90 13.179 12.318 -30.745 1.00 75.12 C ATOM 1427 CZ PHE A 90 13.713 12.072 -31.995 1.00 2.43 C ATOM 0 H PHE A 90 8.538 8.912 -29.451 1.00 55.12 H new ATOM 0 HA PHE A 90 9.339 10.195 -31.779 1.00 45.30 H new ATOM 0 HB2 PHE A 90 10.448 9.804 -29.394 1.00 4.14 H new ATOM 0 HB3 PHE A 90 11.220 8.451 -30.196 1.00 4.14 H new ATOM 0 HD1 PHE A 90 12.022 9.260 -32.759 1.00 53.53 H new ATOM 0 HD2 PHE A 90 11.812 11.659 -29.245 1.00 41.34 H new ATOM 0 HE1 PHE A 90 13.715 10.776 -33.693 1.00 13.20 H new ATOM 0 HE2 PHE A 90 13.504 13.177 -30.177 1.00 75.12 H new ATOM 0 HZ PHE A 90 14.455 12.740 -32.407 1.00 2.43 H new ATOM 1437 N ASN A 91 10.063 6.959 -31.835 1.00 2.12 N ATOM 1438 CA ASN A 91 10.334 5.837 -32.726 1.00 53.24 C ATOM 1439 C ASN A 91 10.631 4.570 -31.931 1.00 22.30 C ATOM 1440 O ASN A 91 11.667 4.464 -31.276 1.00 2.00 O ATOM 1441 CB ASN A 91 11.511 6.163 -33.647 1.00 64.02 C ATOM 1442 CG ASN A 91 11.072 6.438 -35.072 1.00 41.04 C ATOM 1443 OD1 ASN A 91 11.290 7.528 -35.602 1.00 10.15 O ATOM 1444 ND2 ASN A 91 10.449 5.448 -35.701 1.00 24.31 N ATOM 0 H ASN A 91 10.093 6.726 -30.842 1.00 2.12 H new ATOM 0 HA ASN A 91 9.445 5.664 -33.332 1.00 53.24 H new ATOM 0 HB2 ASN A 91 12.042 7.032 -33.259 1.00 64.02 H new ATOM 0 HB3 ASN A 91 12.215 5.331 -33.641 1.00 64.02 H new ATOM 0 HD21 ASN A 91 10.130 5.575 -36.662 1.00 24.31 H new ATOM 0 HD22 ASN A 91 10.289 4.561 -35.223 1.00 24.31 H new ATOM 1451 N GLY A 92 9.714 3.609 -31.994 1.00 21.10 N ATOM 1452 CA GLY A 92 9.897 2.361 -31.276 1.00 15.11 C ATOM 1453 C GLY A 92 8.904 1.297 -31.701 1.00 43.02 C ATOM 1454 O GLY A 92 9.274 0.315 -32.344 1.00 44.22 O ATOM 0 H GLY A 92 8.848 3.673 -32.529 1.00 21.10 H new ATOM 0 HA2 GLY A 92 10.910 1.995 -31.442 1.00 15.11 H new ATOM 0 HA3 GLY A 92 9.795 2.542 -30.206 1.00 15.11 H new ATOM 1458 N ALA A 93 7.640 1.491 -31.340 1.00 61.10 N ATOM 1459 CA ALA A 93 6.592 0.540 -31.689 1.00 14.13 C ATOM 1460 C ALA A 93 5.825 0.997 -32.925 1.00 63.04 C ATOM 1461 O ALA A 93 5.883 0.356 -33.974 1.00 24.10 O ATOM 1462 CB ALA A 93 5.641 0.350 -30.516 1.00 75.04 C ATOM 0 H ALA A 93 7.317 2.298 -30.806 1.00 61.10 H new ATOM 0 HA ALA A 93 7.064 -0.415 -31.919 1.00 14.13 H new ATOM 0 HB1 ALA A 93 4.863 -0.363 -30.790 1.00 75.04 H new ATOM 0 HB2 ALA A 93 6.194 -0.029 -29.657 1.00 75.04 H new ATOM 0 HB3 ALA A 93 5.184 1.306 -30.260 1.00 75.04 H new ATOM 1468 N GLU A 94 5.107 2.108 -32.794 1.00 45.22 N ATOM 1469 CA GLU A 94 4.328 2.649 -33.902 1.00 65.30 C ATOM 1470 C GLU A 94 3.314 1.626 -34.404 1.00 34.52 C ATOM 1471 O GLU A 94 2.832 1.715 -35.532 1.00 70.33 O ATOM 1472 CB GLU A 94 5.252 3.070 -35.046 1.00 45.44 C ATOM 1473 CG GLU A 94 4.861 4.390 -35.690 1.00 72.23 C ATOM 1474 CD GLU A 94 5.845 4.835 -36.754 1.00 64.32 C ATOM 1475 OE1 GLU A 94 5.763 4.322 -37.890 1.00 34.20 O ATOM 1476 OE2 GLU A 94 6.698 5.695 -36.452 1.00 24.15 O ATOM 0 H GLU A 94 5.049 2.651 -31.932 1.00 45.22 H new ATOM 0 HA GLU A 94 3.788 3.524 -33.540 1.00 65.30 H new ATOM 0 HB2 GLU A 94 6.272 3.148 -34.669 1.00 45.44 H new ATOM 0 HB3 GLU A 94 5.252 2.290 -35.807 1.00 45.44 H new ATOM 0 HG2 GLU A 94 3.870 4.294 -36.134 1.00 72.23 H new ATOM 0 HG3 GLU A 94 4.792 5.159 -34.920 1.00 72.23 H new ATOM 1483 N GLY A 95 2.994 0.653 -33.556 1.00 30.43 N ATOM 1484 CA GLY A 95 2.039 -0.374 -33.930 1.00 64.25 C ATOM 1485 C GLY A 95 1.994 -1.515 -32.934 1.00 21.42 C ATOM 1486 O GLY A 95 0.968 -2.179 -32.786 1.00 2.33 O ATOM 0 H GLY A 95 3.379 0.558 -32.616 1.00 30.43 H new ATOM 0 HA2 GLY A 95 1.047 0.070 -34.014 1.00 64.25 H new ATOM 0 HA3 GLY A 95 2.298 -0.765 -34.914 1.00 64.25 H new ATOM 1490 N ALA A 96 3.110 -1.746 -32.250 1.00 11.15 N ATOM 1491 CA ALA A 96 3.193 -2.814 -31.262 1.00 22.53 C ATOM 1492 C ALA A 96 3.306 -2.249 -29.850 1.00 32.51 C ATOM 1493 O ALA A 96 4.131 -2.700 -29.054 1.00 54.04 O ATOM 1494 CB ALA A 96 4.376 -3.722 -31.565 1.00 30.31 C ATOM 0 H ALA A 96 3.969 -1.208 -32.362 1.00 11.15 H new ATOM 0 HA ALA A 96 2.275 -3.399 -31.318 1.00 22.53 H new ATOM 0 HB1 ALA A 96 4.426 -4.515 -30.819 1.00 30.31 H new ATOM 0 HB2 ALA A 96 4.253 -4.162 -32.555 1.00 30.31 H new ATOM 0 HB3 ALA A 96 5.297 -3.140 -31.538 1.00 30.31 H new ATOM 1500 N TYR A 97 2.473 -1.261 -29.545 1.00 53.33 N ATOM 1501 CA TYR A 97 2.481 -0.632 -28.230 1.00 2.11 C ATOM 1502 C TYR A 97 2.378 -1.679 -27.125 1.00 13.21 C ATOM 1503 O TYR A 97 2.878 -1.481 -26.018 1.00 62.13 O ATOM 1504 CB TYR A 97 1.329 0.367 -28.111 1.00 74.33 C ATOM 1505 CG TYR A 97 -0.038 -0.276 -28.180 1.00 54.40 C ATOM 1506 CD1 TYR A 97 -0.631 -0.564 -29.403 1.00 54.33 C ATOM 1507 CD2 TYR A 97 -0.738 -0.593 -27.022 1.00 64.43 C ATOM 1508 CE1 TYR A 97 -1.881 -1.150 -29.471 1.00 45.22 C ATOM 1509 CE2 TYR A 97 -1.986 -1.181 -27.081 1.00 15.04 C ATOM 1510 CZ TYR A 97 -2.554 -1.457 -28.307 1.00 42.02 C ATOM 1511 OH TYR A 97 -3.798 -2.041 -28.370 1.00 13.14 O ATOM 0 H TYR A 97 1.783 -0.878 -30.191 1.00 53.33 H new ATOM 0 HA TYR A 97 3.426 -0.101 -28.116 1.00 2.11 H new ATOM 0 HB2 TYR A 97 1.421 0.905 -27.167 1.00 74.33 H new ATOM 0 HB3 TYR A 97 1.415 1.105 -28.908 1.00 74.33 H new ATOM 0 HD1 TYR A 97 -0.106 -0.326 -30.316 1.00 54.33 H new ATOM 0 HD2 TYR A 97 -0.298 -0.376 -26.060 1.00 64.43 H new ATOM 0 HE1 TYR A 97 -2.328 -1.366 -30.430 1.00 45.22 H new ATOM 0 HE2 TYR A 97 -2.515 -1.424 -26.171 1.00 15.04 H new ATOM 0 HH TYR A 97 -4.134 -2.193 -27.462 1.00 13.14 H new ATOM 1521 N ALA A 98 1.724 -2.794 -27.435 1.00 4.12 N ATOM 1522 CA ALA A 98 1.557 -3.874 -26.471 1.00 33.04 C ATOM 1523 C ALA A 98 2.902 -4.327 -25.914 1.00 1.22 C ATOM 1524 O ALA A 98 2.981 -4.843 -24.799 1.00 63.30 O ATOM 1525 CB ALA A 98 0.827 -5.045 -27.112 1.00 25.42 C ATOM 0 H ALA A 98 1.301 -2.972 -28.346 1.00 4.12 H new ATOM 0 HA ALA A 98 0.959 -3.497 -25.641 1.00 33.04 H new ATOM 0 HB1 ALA A 98 0.709 -5.845 -26.381 1.00 25.42 H new ATOM 0 HB2 ALA A 98 -0.155 -4.718 -27.454 1.00 25.42 H new ATOM 0 HB3 ALA A 98 1.403 -5.412 -27.961 1.00 25.42 H new ATOM 1531 N ASP A 99 3.957 -4.131 -26.697 1.00 3.54 N ATOM 1532 CA ASP A 99 5.300 -4.519 -26.281 1.00 42.53 C ATOM 1533 C ASP A 99 5.777 -3.660 -25.114 1.00 64.00 C ATOM 1534 O ASP A 99 6.499 -4.133 -24.237 1.00 65.32 O ATOM 1535 CB ASP A 99 6.275 -4.395 -27.453 1.00 62.23 C ATOM 1536 CG ASP A 99 5.948 -5.354 -28.582 1.00 4.45 C ATOM 1537 OD1 ASP A 99 4.775 -5.390 -29.008 1.00 61.24 O ATOM 1538 OD2 ASP A 99 6.866 -6.067 -29.038 1.00 41.43 O ATOM 0 H ASP A 99 3.908 -3.706 -27.623 1.00 3.54 H new ATOM 0 HA ASP A 99 5.267 -5.558 -25.954 1.00 42.53 H new ATOM 0 HB2 ASP A 99 6.256 -3.373 -27.831 1.00 62.23 H new ATOM 0 HB3 ASP A 99 7.289 -4.585 -27.100 1.00 62.23 H new ATOM 1543 N ALA A 100 5.369 -2.395 -25.111 1.00 25.21 N ATOM 1544 CA ALA A 100 5.754 -1.471 -24.051 1.00 64.05 C ATOM 1545 C ALA A 100 4.886 -1.664 -22.813 1.00 4.24 C ATOM 1546 O ALA A 100 5.282 -1.304 -21.704 1.00 54.12 O ATOM 1547 CB ALA A 100 5.662 -0.035 -24.545 1.00 0.33 C ATOM 0 H ALA A 100 4.772 -1.987 -25.830 1.00 25.21 H new ATOM 0 HA ALA A 100 6.787 -1.683 -23.774 1.00 64.05 H new ATOM 0 HB1 ALA A 100 5.952 0.645 -23.744 1.00 0.33 H new ATOM 0 HB2 ALA A 100 6.330 0.101 -25.396 1.00 0.33 H new ATOM 0 HB3 ALA A 100 4.638 0.180 -24.850 1.00 0.33 H new ATOM 1553 N ALA A 101 3.702 -2.233 -23.009 1.00 34.13 N ATOM 1554 CA ALA A 101 2.778 -2.475 -21.907 1.00 4.51 C ATOM 1555 C ALA A 101 3.256 -3.630 -21.034 1.00 73.30 C ATOM 1556 O ALA A 101 3.068 -3.620 -19.817 1.00 70.34 O ATOM 1557 CB ALA A 101 1.382 -2.756 -22.441 1.00 14.54 C ATOM 0 H ALA A 101 3.359 -2.535 -23.921 1.00 34.13 H new ATOM 0 HA ALA A 101 2.744 -1.577 -21.289 1.00 4.51 H new ATOM 0 HB1 ALA A 101 0.703 -2.935 -21.607 1.00 14.54 H new ATOM 0 HB2 ALA A 101 1.033 -1.898 -23.016 1.00 14.54 H new ATOM 0 HB3 ALA A 101 1.408 -3.637 -23.083 1.00 14.54 H new ATOM 1563 N ARG A 102 3.873 -4.625 -21.663 1.00 73.21 N ATOM 1564 CA ARG A 102 4.375 -5.789 -20.943 1.00 71.33 C ATOM 1565 C ARG A 102 5.433 -5.382 -19.922 1.00 34.24 C ATOM 1566 O ARG A 102 5.341 -5.731 -18.744 1.00 3.41 O ATOM 1567 CB ARG A 102 4.962 -6.807 -21.923 1.00 70.11 C ATOM 1568 CG ARG A 102 4.711 -8.252 -21.523 1.00 43.14 C ATOM 1569 CD ARG A 102 5.932 -8.865 -20.856 1.00 23.20 C ATOM 1570 NE ARG A 102 6.572 -9.869 -21.702 1.00 20.21 N ATOM 1571 CZ ARG A 102 6.075 -11.085 -21.904 1.00 4.42 C ATOM 1572 NH1 ARG A 102 4.939 -11.444 -21.324 1.00 74.51 N ATOM 1573 NH2 ARG A 102 6.716 -11.943 -22.687 1.00 51.45 N ATOM 0 H ARG A 102 4.037 -4.648 -22.669 1.00 73.21 H new ATOM 0 HA ARG A 102 3.539 -6.245 -20.412 1.00 71.33 H new ATOM 0 HB2 ARG A 102 4.537 -6.634 -22.912 1.00 70.11 H new ATOM 0 HB3 ARG A 102 6.036 -6.643 -22.004 1.00 70.11 H new ATOM 0 HG2 ARG A 102 3.861 -8.300 -20.843 1.00 43.14 H new ATOM 0 HG3 ARG A 102 4.446 -8.834 -22.406 1.00 43.14 H new ATOM 0 HD2 ARG A 102 6.649 -8.079 -20.621 1.00 23.20 H new ATOM 0 HD3 ARG A 102 5.638 -9.322 -19.911 1.00 23.20 H new ATOM 0 HE ARG A 102 7.448 -9.624 -22.163 1.00 20.21 H new ATOM 0 HH11 ARG A 102 4.444 -10.787 -20.721 1.00 74.51 H new ATOM 0 HH12 ARG A 102 4.559 -12.378 -21.480 1.00 74.51 H new ATOM 0 HH21 ARG A 102 7.591 -11.670 -23.134 1.00 51.45 H new ATOM 0 HH22 ARG A 102 6.334 -12.876 -22.841 1.00 51.45 H new ATOM 1587 N THR A 103 6.437 -4.642 -20.380 1.00 65.34 N ATOM 1588 CA THR A 103 7.513 -4.189 -19.508 1.00 23.11 C ATOM 1589 C THR A 103 6.976 -3.315 -18.381 1.00 12.03 C ATOM 1590 O THR A 103 7.442 -3.394 -17.244 1.00 1.00 O ATOM 1591 CB THR A 103 8.578 -3.399 -20.292 1.00 55.34 C ATOM 1592 OG1 THR A 103 9.573 -2.894 -19.395 1.00 51.13 O ATOM 1593 CG2 THR A 103 7.942 -2.245 -21.054 1.00 64.32 C ATOM 0 H THR A 103 6.528 -4.343 -21.351 1.00 65.34 H new ATOM 0 HA THR A 103 7.973 -5.082 -19.084 1.00 23.11 H new ATOM 0 HB THR A 103 9.046 -4.074 -21.009 1.00 55.34 H new ATOM 0 HG1 THR A 103 10.247 -2.394 -19.902 1.00 51.13 H new ATOM 0 HG21 THR A 103 8.713 -1.701 -21.600 1.00 64.32 H new ATOM 0 HG22 THR A 103 7.206 -2.635 -21.757 1.00 64.32 H new ATOM 0 HG23 THR A 103 7.452 -1.571 -20.351 1.00 64.32 H new ATOM 1601 N PHE A 104 5.992 -2.482 -18.702 1.00 54.12 N ATOM 1602 CA PHE A 104 5.390 -1.592 -17.716 1.00 23.03 C ATOM 1603 C PHE A 104 4.797 -2.387 -16.556 1.00 74.05 C ATOM 1604 O PHE A 104 5.099 -2.126 -15.393 1.00 11.23 O ATOM 1605 CB PHE A 104 4.306 -0.732 -18.368 1.00 13.15 C ATOM 1606 CG PHE A 104 3.541 0.112 -17.388 1.00 42.44 C ATOM 1607 CD1 PHE A 104 4.099 1.269 -16.868 1.00 15.30 C ATOM 1608 CD2 PHE A 104 2.265 -0.250 -16.989 1.00 21.51 C ATOM 1609 CE1 PHE A 104 3.397 2.047 -15.966 1.00 44.43 C ATOM 1610 CE2 PHE A 104 1.559 0.524 -16.088 1.00 11.02 C ATOM 1611 CZ PHE A 104 2.126 1.675 -15.577 1.00 14.14 C ATOM 0 H PHE A 104 5.594 -2.405 -19.638 1.00 54.12 H new ATOM 0 HA PHE A 104 6.172 -0.942 -17.325 1.00 23.03 H new ATOM 0 HB2 PHE A 104 4.767 -0.083 -19.112 1.00 13.15 H new ATOM 0 HB3 PHE A 104 3.609 -1.381 -18.899 1.00 13.15 H new ATOM 0 HD1 PHE A 104 5.092 1.566 -17.170 1.00 15.30 H new ATOM 0 HD2 PHE A 104 1.816 -1.148 -17.387 1.00 21.51 H new ATOM 0 HE1 PHE A 104 3.843 2.946 -15.566 1.00 44.43 H new ATOM 0 HE2 PHE A 104 0.565 0.229 -15.784 1.00 11.02 H new ATOM 0 HZ PHE A 104 1.576 2.283 -14.874 1.00 14.14 H new ATOM 1621 N GLU A 105 3.950 -3.358 -16.885 1.00 12.22 N ATOM 1622 CA GLU A 105 3.312 -4.190 -15.871 1.00 5.10 C ATOM 1623 C GLU A 105 4.352 -4.795 -14.932 1.00 31.31 C ATOM 1624 O GLU A 105 4.115 -4.935 -13.732 1.00 1.53 O ATOM 1625 CB GLU A 105 2.497 -5.303 -16.532 1.00 14.21 C ATOM 1626 CG GLU A 105 1.071 -4.897 -16.865 1.00 12.40 C ATOM 1627 CD GLU A 105 0.103 -6.063 -16.807 1.00 43.21 C ATOM 1628 OE1 GLU A 105 0.382 -7.096 -17.451 1.00 32.33 O ATOM 1629 OE2 GLU A 105 -0.932 -5.942 -16.119 1.00 64.20 O ATOM 0 H GLU A 105 3.690 -3.587 -17.844 1.00 12.22 H new ATOM 0 HA GLU A 105 2.643 -3.558 -15.287 1.00 5.10 H new ATOM 0 HB2 GLU A 105 3.000 -5.616 -17.447 1.00 14.21 H new ATOM 0 HB3 GLU A 105 2.474 -6.168 -15.869 1.00 14.21 H new ATOM 0 HG2 GLU A 105 0.745 -4.124 -16.168 1.00 12.40 H new ATOM 0 HG3 GLU A 105 1.046 -4.458 -17.862 1.00 12.40 H new ATOM 1636 N LYS A 106 5.504 -5.154 -15.487 1.00 63.32 N ATOM 1637 CA LYS A 106 6.582 -5.744 -14.702 1.00 33.43 C ATOM 1638 C LYS A 106 7.089 -4.763 -13.650 1.00 13.21 C ATOM 1639 O LYS A 106 7.294 -5.129 -12.492 1.00 55.14 O ATOM 1640 CB LYS A 106 7.733 -6.169 -15.616 1.00 24.14 C ATOM 1641 CG LYS A 106 8.118 -7.631 -15.470 1.00 73.43 C ATOM 1642 CD LYS A 106 9.295 -7.807 -14.526 1.00 33.43 C ATOM 1643 CE LYS A 106 9.260 -9.164 -13.839 1.00 21.12 C ATOM 1644 NZ LYS A 106 10.573 -9.509 -13.227 1.00 30.53 N ATOM 0 H LYS A 106 5.716 -5.047 -16.479 1.00 63.32 H new ATOM 0 HA LYS A 106 6.188 -6.623 -14.193 1.00 33.43 H new ATOM 0 HB2 LYS A 106 7.453 -5.977 -16.652 1.00 24.14 H new ATOM 0 HB3 LYS A 106 8.604 -5.550 -15.402 1.00 24.14 H new ATOM 0 HG2 LYS A 106 7.264 -8.197 -15.098 1.00 73.43 H new ATOM 0 HG3 LYS A 106 8.371 -8.041 -16.448 1.00 73.43 H new ATOM 0 HD2 LYS A 106 10.227 -7.703 -15.081 1.00 33.43 H new ATOM 0 HD3 LYS A 106 9.282 -7.017 -13.775 1.00 33.43 H new ATOM 0 HE2 LYS A 106 8.489 -9.161 -13.068 1.00 21.12 H new ATOM 0 HE3 LYS A 106 8.984 -9.931 -14.563 1.00 21.12 H new ATOM 0 HZ1 LYS A 106 10.508 -10.440 -12.769 1.00 30.53 H new ATOM 0 HZ2 LYS A 106 11.304 -9.537 -13.966 1.00 30.53 H new ATOM 0 HZ3 LYS A 106 10.825 -8.791 -12.518 1.00 30.53 H new ATOM 1658 N PHE A 107 7.288 -3.514 -14.060 1.00 21.45 N ATOM 1659 CA PHE A 107 7.771 -2.480 -13.152 1.00 54.01 C ATOM 1660 C PHE A 107 6.918 -2.424 -11.888 1.00 32.41 C ATOM 1661 O PHE A 107 7.440 -2.433 -10.774 1.00 13.15 O ATOM 1662 CB PHE A 107 7.761 -1.117 -13.847 1.00 64.04 C ATOM 1663 CG PHE A 107 9.081 -0.750 -14.465 1.00 34.13 C ATOM 1664 CD1 PHE A 107 9.372 -1.107 -15.772 1.00 11.34 C ATOM 1665 CD2 PHE A 107 10.029 -0.048 -13.739 1.00 30.15 C ATOM 1666 CE1 PHE A 107 10.585 -0.771 -16.342 1.00 3.04 C ATOM 1667 CE2 PHE A 107 11.244 0.291 -14.303 1.00 61.15 C ATOM 1668 CZ PHE A 107 11.522 -0.070 -15.607 1.00 61.32 C ATOM 0 H PHE A 107 7.122 -3.194 -15.014 1.00 21.45 H new ATOM 0 HA PHE A 107 8.794 -2.729 -12.869 1.00 54.01 H new ATOM 0 HB2 PHE A 107 6.994 -1.118 -14.621 1.00 64.04 H new ATOM 0 HB3 PHE A 107 7.482 -0.351 -13.123 1.00 64.04 H new ATOM 0 HD1 PHE A 107 8.643 -1.654 -16.351 1.00 11.34 H new ATOM 0 HD2 PHE A 107 9.816 0.238 -12.720 1.00 30.15 H new ATOM 0 HE1 PHE A 107 10.801 -1.056 -17.361 1.00 3.04 H new ATOM 0 HE2 PHE A 107 11.975 0.837 -13.725 1.00 61.15 H new ATOM 0 HZ PHE A 107 12.470 0.195 -16.051 1.00 61.32 H new ATOM 1678 N ALA A 108 5.603 -2.367 -12.071 1.00 13.13 N ATOM 1679 CA ALA A 108 4.677 -2.311 -10.946 1.00 71.32 C ATOM 1680 C ALA A 108 4.734 -3.595 -10.124 1.00 53.44 C ATOM 1681 O ALA A 108 4.610 -3.565 -8.900 1.00 52.34 O ATOM 1682 CB ALA A 108 3.260 -2.061 -11.441 1.00 30.40 C ATOM 0 H ALA A 108 5.155 -2.358 -12.987 1.00 13.13 H new ATOM 0 HA ALA A 108 4.976 -1.484 -10.301 1.00 71.32 H new ATOM 0 HB1 ALA A 108 2.579 -2.022 -10.591 1.00 30.40 H new ATOM 0 HB2 ALA A 108 3.224 -1.114 -11.979 1.00 30.40 H new ATOM 0 HB3 ALA A 108 2.960 -2.869 -12.109 1.00 30.40 H new ATOM 1688 N MET A 109 4.921 -4.720 -10.806 1.00 31.23 N ATOM 1689 CA MET A 109 4.994 -6.014 -10.137 1.00 64.33 C ATOM 1690 C MET A 109 6.137 -6.041 -9.128 1.00 4.55 C ATOM 1691 O MET A 109 5.986 -6.549 -8.017 1.00 43.15 O ATOM 1692 CB MET A 109 5.180 -7.133 -11.164 1.00 51.13 C ATOM 1693 CG MET A 109 4.547 -8.451 -10.749 1.00 15.24 C ATOM 1694 SD MET A 109 3.783 -9.321 -12.131 1.00 11.11 S ATOM 1695 CE MET A 109 2.872 -10.598 -11.266 1.00 0.43 C ATOM 0 H MET A 109 5.025 -4.762 -11.820 1.00 31.23 H new ATOM 0 HA MET A 109 4.057 -6.172 -9.603 1.00 64.33 H new ATOM 0 HB2 MET A 109 4.751 -6.817 -12.115 1.00 51.13 H new ATOM 0 HB3 MET A 109 6.246 -7.288 -11.331 1.00 51.13 H new ATOM 0 HG2 MET A 109 5.308 -9.089 -10.299 1.00 15.24 H new ATOM 0 HG3 MET A 109 3.795 -8.263 -9.983 1.00 15.24 H new ATOM 0 HE1 MET A 109 2.344 -11.221 -11.988 1.00 0.43 H new ATOM 0 HE2 MET A 109 3.565 -11.214 -10.693 1.00 0.43 H new ATOM 0 HE3 MET A 109 2.152 -10.137 -10.590 1.00 0.43 H new ATOM 1705 N GLY A 110 7.282 -5.489 -9.521 1.00 32.21 N ATOM 1706 CA GLY A 110 8.433 -5.461 -8.638 1.00 44.23 C ATOM 1707 C GLY A 110 8.206 -4.593 -7.416 1.00 71.51 C ATOM 1708 O GLY A 110 8.571 -4.969 -6.302 1.00 3.11 O ATOM 0 H GLY A 110 7.432 -5.061 -10.435 1.00 32.21 H new ATOM 0 HA2 GLY A 110 8.668 -6.477 -8.320 1.00 44.23 H new ATOM 0 HA3 GLY A 110 9.299 -5.091 -9.187 1.00 44.23 H new ATOM 1712 N LYS A 111 7.602 -3.428 -7.624 1.00 32.44 N ATOM 1713 CA LYS A 111 7.326 -2.504 -6.530 1.00 51.35 C ATOM 1714 C LYS A 111 6.461 -3.166 -5.463 1.00 25.25 C ATOM 1715 O LYS A 111 6.552 -2.830 -4.281 1.00 55.44 O ATOM 1716 CB LYS A 111 6.628 -1.249 -7.060 1.00 42.04 C ATOM 1717 CG LYS A 111 6.820 -0.028 -6.178 1.00 45.42 C ATOM 1718 CD LYS A 111 5.629 0.191 -5.261 1.00 20.22 C ATOM 1719 CE LYS A 111 4.435 0.749 -6.021 1.00 24.33 C ATOM 1720 NZ LYS A 111 3.157 0.121 -5.584 1.00 44.21 N ATOM 0 H LYS A 111 7.294 -3.101 -8.540 1.00 32.44 H new ATOM 0 HA LYS A 111 8.277 -2.221 -6.078 1.00 51.35 H new ATOM 0 HB2 LYS A 111 7.005 -1.028 -8.059 1.00 42.04 H new ATOM 0 HB3 LYS A 111 5.561 -1.451 -7.159 1.00 42.04 H new ATOM 0 HG2 LYS A 111 7.723 -0.149 -5.580 1.00 45.42 H new ATOM 0 HG3 LYS A 111 6.966 0.853 -6.802 1.00 45.42 H new ATOM 0 HD2 LYS A 111 5.353 -0.752 -4.790 1.00 20.22 H new ATOM 0 HD3 LYS A 111 5.906 0.878 -4.461 1.00 20.22 H new ATOM 0 HE2 LYS A 111 4.380 1.827 -5.870 1.00 24.33 H new ATOM 0 HE3 LYS A 111 4.575 0.583 -7.089 1.00 24.33 H new ATOM 0 HZ1 LYS A 111 2.367 0.528 -6.125 1.00 44.21 H new ATOM 0 HZ2 LYS A 111 3.199 -0.905 -5.751 1.00 44.21 H new ATOM 0 HZ3 LYS A 111 3.011 0.301 -4.570 1.00 44.21 H new ATOM 1734 N ILE A 112 5.626 -4.109 -5.885 1.00 24.40 N ATOM 1735 CA ILE A 112 4.748 -4.820 -4.964 1.00 25.13 C ATOM 1736 C ILE A 112 5.542 -5.761 -4.064 1.00 1.04 C ATOM 1737 O ILE A 112 5.410 -5.724 -2.840 1.00 65.10 O ATOM 1738 CB ILE A 112 3.678 -5.631 -5.718 1.00 43.13 C ATOM 1739 CG1 ILE A 112 2.821 -4.704 -6.583 1.00 35.35 C ATOM 1740 CG2 ILE A 112 2.810 -6.404 -4.737 1.00 54.41 C ATOM 1741 CD1 ILE A 112 2.194 -5.397 -7.772 1.00 54.34 C ATOM 0 H ILE A 112 5.539 -4.399 -6.859 1.00 24.40 H new ATOM 0 HA ILE A 112 4.255 -4.065 -4.352 1.00 25.13 H new ATOM 0 HB ILE A 112 4.178 -6.347 -6.371 1.00 43.13 H new ATOM 0 HG12 ILE A 112 2.032 -4.272 -5.967 1.00 35.35 H new ATOM 0 HG13 ILE A 112 3.438 -3.878 -6.938 1.00 35.35 H new ATOM 0 HG21 ILE A 112 2.059 -6.972 -5.285 1.00 54.41 H new ATOM 0 HG22 ILE A 112 3.433 -7.088 -4.161 1.00 54.41 H new ATOM 0 HG23 ILE A 112 2.315 -5.707 -4.061 1.00 54.41 H new ATOM 0 HD11 ILE A 112 1.601 -4.680 -8.340 1.00 54.34 H new ATOM 0 HD12 ILE A 112 2.978 -5.806 -8.410 1.00 54.34 H new ATOM 0 HD13 ILE A 112 1.551 -6.205 -7.424 1.00 54.34 H new ATOM 1753 N ASP A 113 6.367 -6.602 -4.677 1.00 61.03 N ATOM 1754 CA ASP A 113 7.185 -7.551 -3.932 1.00 22.44 C ATOM 1755 C ASP A 113 8.166 -6.823 -3.018 1.00 33.25 C ATOM 1756 O ASP A 113 8.243 -7.107 -1.823 1.00 0.45 O ATOM 1757 CB ASP A 113 7.947 -8.466 -4.892 1.00 41.44 C ATOM 1758 CG ASP A 113 7.024 -9.366 -5.689 1.00 31.40 C ATOM 1759 OD1 ASP A 113 6.036 -8.852 -6.253 1.00 73.51 O ATOM 1760 OD2 ASP A 113 7.289 -10.586 -5.748 1.00 1.45 O ATOM 0 H ASP A 113 6.487 -6.646 -5.689 1.00 61.03 H new ATOM 0 HA ASP A 113 6.522 -8.157 -3.315 1.00 22.44 H new ATOM 0 HB2 ASP A 113 8.537 -7.858 -5.577 1.00 41.44 H new ATOM 0 HB3 ASP A 113 8.648 -9.079 -4.325 1.00 41.44 H new ATOM 1765 N ALA A 114 8.913 -5.884 -3.588 1.00 65.54 N ATOM 1766 CA ALA A 114 9.888 -5.115 -2.825 1.00 62.20 C ATOM 1767 C ALA A 114 9.221 -4.377 -1.669 1.00 64.31 C ATOM 1768 O ALA A 114 9.741 -4.353 -0.553 1.00 62.01 O ATOM 1769 CB ALA A 114 10.613 -4.133 -3.733 1.00 10.40 C ATOM 0 H ALA A 114 8.862 -5.637 -4.576 1.00 65.54 H new ATOM 0 HA ALA A 114 10.616 -5.810 -2.406 1.00 62.20 H new ATOM 0 HB1 ALA A 114 11.338 -3.565 -3.150 1.00 10.40 H new ATOM 0 HB2 ALA A 114 11.130 -4.680 -4.521 1.00 10.40 H new ATOM 0 HB3 ALA A 114 9.891 -3.449 -4.179 1.00 10.40 H new ATOM 1775 N TYR A 115 8.069 -3.776 -1.943 1.00 61.33 N ATOM 1776 CA TYR A 115 7.333 -3.035 -0.926 1.00 51.34 C ATOM 1777 C TYR A 115 7.189 -3.857 0.350 1.00 34.43 C ATOM 1778 O TYR A 115 7.526 -3.396 1.441 1.00 42.42 O ATOM 1779 CB TYR A 115 5.951 -2.642 -1.452 1.00 42.20 C ATOM 1780 CG TYR A 115 5.034 -2.085 -0.387 1.00 33.53 C ATOM 1781 CD1 TYR A 115 5.506 -1.195 0.570 1.00 64.53 C ATOM 1782 CD2 TYR A 115 3.694 -2.449 -0.337 1.00 74.43 C ATOM 1783 CE1 TYR A 115 4.672 -0.686 1.545 1.00 12.52 C ATOM 1784 CE2 TYR A 115 2.851 -1.943 0.634 1.00 63.22 C ATOM 1785 CZ TYR A 115 3.345 -1.062 1.573 1.00 22.10 C ATOM 1786 OH TYR A 115 2.510 -0.555 2.542 1.00 23.23 O ATOM 0 H TYR A 115 7.625 -3.787 -2.861 1.00 61.33 H new ATOM 0 HA TYR A 115 7.896 -2.132 -0.692 1.00 51.34 H new ATOM 0 HB2 TYR A 115 6.070 -1.900 -2.242 1.00 42.20 H new ATOM 0 HB3 TYR A 115 5.481 -3.516 -1.903 1.00 42.20 H new ATOM 0 HD1 TYR A 115 6.544 -0.896 0.551 1.00 64.53 H new ATOM 0 HD2 TYR A 115 3.304 -3.140 -1.070 1.00 74.43 H new ATOM 0 HE1 TYR A 115 5.056 0.003 2.282 1.00 12.52 H new ATOM 0 HE2 TYR A 115 1.812 -2.236 0.657 1.00 63.22 H new ATOM 0 HH TYR A 115 2.542 -1.130 3.335 1.00 23.23 H new ATOM 1796 N ILE A 116 6.686 -5.079 0.206 1.00 54.44 N ATOM 1797 CA ILE A 116 6.498 -5.967 1.346 1.00 70.02 C ATOM 1798 C ILE A 116 7.812 -6.199 2.084 1.00 10.21 C ATOM 1799 O ILE A 116 7.836 -6.311 3.310 1.00 72.54 O ATOM 1800 CB ILE A 116 5.920 -7.327 0.911 1.00 13.41 C ATOM 1801 CG1 ILE A 116 4.594 -7.129 0.174 1.00 74.02 C ATOM 1802 CG2 ILE A 116 5.731 -8.232 2.119 1.00 73.43 C ATOM 1803 CD1 ILE A 116 4.003 -8.414 -0.362 1.00 70.33 C ATOM 0 H ILE A 116 6.401 -5.476 -0.689 1.00 54.44 H new ATOM 0 HA ILE A 116 5.790 -5.477 2.014 1.00 70.02 H new ATOM 0 HB ILE A 116 6.625 -7.805 0.230 1.00 13.41 H new ATOM 0 HG12 ILE A 116 3.877 -6.664 0.851 1.00 74.02 H new ATOM 0 HG13 ILE A 116 4.747 -6.436 -0.653 1.00 74.02 H new ATOM 0 HG21 ILE A 116 5.322 -9.189 1.796 1.00 73.43 H new ATOM 0 HG22 ILE A 116 6.692 -8.394 2.606 1.00 73.43 H new ATOM 0 HG23 ILE A 116 5.043 -7.762 2.822 1.00 73.43 H new ATOM 0 HD11 ILE A 116 3.064 -8.198 -0.872 1.00 70.33 H new ATOM 0 HD12 ILE A 116 4.701 -8.870 -1.064 1.00 70.33 H new ATOM 0 HD13 ILE A 116 3.817 -9.101 0.463 1.00 70.33 H new ATOM 1815 N SER A 117 8.904 -6.267 1.330 1.00 62.43 N ATOM 1816 CA SER A 117 10.223 -6.488 1.912 1.00 52.40 C ATOM 1817 C SER A 117 10.663 -5.279 2.733 1.00 60.14 C ATOM 1818 O SER A 117 11.510 -5.393 3.618 1.00 13.14 O ATOM 1819 CB SER A 117 11.248 -6.773 0.813 1.00 50.43 C ATOM 1820 OG SER A 117 12.003 -7.934 1.109 1.00 65.33 O ATOM 0 H SER A 117 8.902 -6.172 0.314 1.00 62.43 H new ATOM 0 HA SER A 117 10.161 -7.352 2.573 1.00 52.40 H new ATOM 0 HB2 SER A 117 10.737 -6.901 -0.141 1.00 50.43 H new ATOM 0 HB3 SER A 117 11.916 -5.919 0.704 1.00 50.43 H new ATOM 0 HG SER A 117 12.650 -8.096 0.391 1.00 65.33 H new ATOM 1826 N GLN A 118 10.081 -4.123 2.430 1.00 4.13 N ATOM 1827 CA GLN A 118 10.414 -2.893 3.139 1.00 11.31 C ATOM 1828 C GLN A 118 9.186 -2.319 3.839 1.00 4.00 C ATOM 1829 O GLN A 118 8.667 -1.273 3.448 1.00 63.31 O ATOM 1830 CB GLN A 118 10.992 -1.861 2.169 1.00 14.41 C ATOM 1831 CG GLN A 118 10.082 -1.559 0.989 1.00 64.43 C ATOM 1832 CD GLN A 118 10.837 -1.003 -0.203 1.00 24.35 C ATOM 1833 OE1 GLN A 118 10.466 0.030 -0.760 1.00 43.01 O ATOM 1834 NE2 GLN A 118 11.904 -1.687 -0.600 1.00 20.35 N ATOM 0 H GLN A 118 9.378 -4.012 1.700 1.00 4.13 H new ATOM 0 HA GLN A 118 11.163 -3.130 3.895 1.00 11.31 H new ATOM 0 HB2 GLN A 118 11.190 -0.936 2.711 1.00 14.41 H new ATOM 0 HB3 GLN A 118 11.950 -2.222 1.795 1.00 14.41 H new ATOM 0 HG2 GLN A 118 9.563 -2.471 0.693 1.00 64.43 H new ATOM 0 HG3 GLN A 118 9.319 -0.844 1.297 1.00 64.43 H new ATOM 0 HE21 GLN A 118 12.176 -2.539 -0.109 1.00 20.35 H new ATOM 0 HE22 GLN A 118 12.452 -1.361 -1.396 1.00 20.35 H new ATOM 1843 N LYS A 119 8.726 -3.010 4.876 1.00 31.12 N ATOM 1844 CA LYS A 119 7.560 -2.570 5.632 1.00 15.14 C ATOM 1845 C LYS A 119 7.969 -2.035 7.001 1.00 34.22 C ATOM 1846 O LYS A 119 7.567 -0.940 7.396 1.00 25.54 O ATOM 1847 CB LYS A 119 6.569 -3.724 5.799 1.00 31.44 C ATOM 1848 CG LYS A 119 5.756 -4.014 4.550 1.00 53.44 C ATOM 1849 CD LYS A 119 4.427 -4.668 4.888 1.00 14.30 C ATOM 1850 CE LYS A 119 4.478 -6.174 4.683 1.00 5.11 C ATOM 1851 NZ LYS A 119 3.611 -6.896 5.654 1.00 31.13 N ATOM 0 H LYS A 119 9.143 -3.878 5.212 1.00 31.12 H new ATOM 0 HA LYS A 119 7.080 -1.765 5.075 1.00 15.14 H new ATOM 0 HB2 LYS A 119 7.116 -4.623 6.083 1.00 31.44 H new ATOM 0 HB3 LYS A 119 5.889 -3.492 6.619 1.00 31.44 H new ATOM 0 HG2 LYS A 119 5.578 -3.086 4.007 1.00 53.44 H new ATOM 0 HG3 LYS A 119 6.325 -4.666 3.888 1.00 53.44 H new ATOM 0 HD2 LYS A 119 4.166 -4.449 5.923 1.00 14.30 H new ATOM 0 HD3 LYS A 119 3.641 -4.241 4.264 1.00 14.30 H new ATOM 0 HE2 LYS A 119 4.163 -6.413 3.667 1.00 5.11 H new ATOM 0 HE3 LYS A 119 5.506 -6.520 4.787 1.00 5.11 H new ATOM 0 HZ1 LYS A 119 3.674 -7.920 5.481 1.00 31.13 H new ATOM 0 HZ2 LYS A 119 3.927 -6.689 6.623 1.00 31.13 H new ATOM 0 HZ3 LYS A 119 2.625 -6.585 5.537 1.00 31.13 H new ATOM 1865 N VAL A 120 8.771 -2.814 7.720 1.00 34.13 N ATOM 1866 CA VAL A 120 9.236 -2.417 9.044 1.00 62.52 C ATOM 1867 C VAL A 120 10.581 -1.704 8.962 1.00 21.23 C ATOM 1868 O VAL A 120 10.879 -0.824 9.769 1.00 73.13 O ATOM 1869 CB VAL A 120 9.368 -3.633 9.980 1.00 23.40 C ATOM 1870 CG1 VAL A 120 9.129 -3.223 11.425 1.00 34.41 C ATOM 1871 CG2 VAL A 120 8.405 -4.734 9.563 1.00 53.14 C ATOM 0 H VAL A 120 9.112 -3.723 7.408 1.00 34.13 H new ATOM 0 HA VAL A 120 8.490 -1.734 9.451 1.00 62.52 H new ATOM 0 HB VAL A 120 10.383 -4.022 9.901 1.00 23.40 H new ATOM 0 HG11 VAL A 120 9.226 -4.095 12.072 1.00 34.41 H new ATOM 0 HG12 VAL A 120 9.863 -2.472 11.716 1.00 34.41 H new ATOM 0 HG13 VAL A 120 8.126 -2.808 11.524 1.00 34.41 H new ATOM 0 HG21 VAL A 120 8.512 -5.585 10.235 1.00 53.14 H new ATOM 0 HG22 VAL A 120 7.382 -4.360 9.611 1.00 53.14 H new ATOM 0 HG23 VAL A 120 8.629 -5.047 8.543 1.00 53.14 H new ATOM 1881 N GLY A 121 11.391 -2.090 7.981 1.00 22.21 N ATOM 1882 CA GLY A 121 12.696 -1.477 7.812 1.00 54.04 C ATOM 1883 C GLY A 121 12.636 0.037 7.867 1.00 62.44 C ATOM 1884 O GLY A 121 13.569 0.685 8.339 1.00 62.33 O ATOM 0 H GLY A 121 11.167 -2.816 7.300 1.00 22.21 H new ATOM 0 HA2 GLY A 121 13.368 -1.840 8.590 1.00 54.04 H new ATOM 0 HA3 GLY A 121 13.119 -1.786 6.856 1.00 54.04 H new ATOM 1888 N GLY A 122 11.535 0.602 7.381 1.00 44.54 N ATOM 1889 CA GLY A 122 11.379 2.045 7.384 1.00 3.33 C ATOM 1890 C GLY A 122 10.503 2.537 6.249 1.00 20.52 C ATOM 1891 O GLY A 122 10.946 3.318 5.406 1.00 11.14 O ATOM 0 H GLY A 122 10.749 0.087 6.985 1.00 44.54 H new ATOM 0 HA2 GLY A 122 10.947 2.358 8.334 1.00 3.33 H new ATOM 0 HA3 GLY A 122 12.360 2.513 7.310 1.00 3.33 H new ATOM 1895 N LEU A 123 9.257 2.077 6.225 1.00 52.13 N ATOM 1896 CA LEU A 123 8.316 2.473 5.183 1.00 54.40 C ATOM 1897 C LEU A 123 6.882 2.435 5.701 1.00 14.14 C ATOM 1898 O LEU A 123 6.168 3.437 5.655 1.00 62.44 O ATOM 1899 CB LEU A 123 8.455 1.556 3.967 1.00 51.44 C ATOM 1900 CG LEU A 123 8.192 2.202 2.606 1.00 74.13 C ATOM 1901 CD1 LEU A 123 9.440 2.908 2.099 1.00 31.33 C ATOM 1902 CD2 LEU A 123 7.723 1.158 1.602 1.00 14.53 C ATOM 0 H LEU A 123 8.875 1.430 6.915 1.00 52.13 H new ATOM 0 HA LEU A 123 8.549 3.496 4.888 1.00 54.40 H new ATOM 0 HB2 LEU A 123 9.464 1.143 3.962 1.00 51.44 H new ATOM 0 HB3 LEU A 123 7.768 0.718 4.088 1.00 51.44 H new ATOM 0 HG LEU A 123 7.403 2.944 2.725 1.00 74.13 H new ATOM 0 HD11 LEU A 123 9.233 3.361 1.130 1.00 31.33 H new ATOM 0 HD12 LEU A 123 9.732 3.683 2.807 1.00 31.33 H new ATOM 0 HD13 LEU A 123 10.250 2.186 1.996 1.00 31.33 H new ATOM 0 HD21 LEU A 123 7.541 1.635 0.639 1.00 14.53 H new ATOM 0 HD22 LEU A 123 8.490 0.392 1.488 1.00 14.53 H new ATOM 0 HD23 LEU A 123 6.802 0.698 1.959 1.00 14.53 H new ATOM 1914 N GLU A 124 6.468 1.273 6.197 1.00 13.11 N ATOM 1915 CA GLU A 124 5.119 1.106 6.726 1.00 61.23 C ATOM 1916 C GLU A 124 5.136 0.281 8.010 1.00 44.24 C ATOM 1917 O GLU A 124 5.144 0.830 9.111 1.00 74.20 O ATOM 1918 CB GLU A 124 4.220 0.433 5.687 1.00 51.05 C ATOM 1919 CG GLU A 124 4.483 -1.055 5.526 1.00 11.10 C ATOM 1920 CD GLU A 124 3.309 -1.906 5.969 1.00 12.04 C ATOM 1921 OE1 GLU A 124 2.408 -2.151 5.140 1.00 60.42 O ATOM 1922 OE2 GLU A 124 3.290 -2.326 7.145 1.00 24.21 O ATOM 0 H GLU A 124 7.047 0.434 6.244 1.00 13.11 H new ATOM 0 HA GLU A 124 4.721 2.095 6.955 1.00 61.23 H new ATOM 0 HB2 GLU A 124 3.178 0.580 5.971 1.00 51.05 H new ATOM 0 HB3 GLU A 124 4.361 0.924 4.724 1.00 51.05 H new ATOM 0 HG2 GLU A 124 4.709 -1.269 4.481 1.00 11.10 H new ATOM 0 HG3 GLU A 124 5.365 -1.329 6.105 1.00 11.10 H new TER 1929 GLU A 124