USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 917 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 37 MET CE :methyl -179:sc= -0.805 (180deg=-0.814) USER MOD Set 1.2: A 81 THR OG1 : rot -56:sc= 1.31 USER MOD Set 2.1: A 21 TYR OH : rot 79:sc= 0.0698 USER MOD Set 2.2: A 22 SER OG : rot 82:sc= 1.09 USER MOD Set 2.3: A 33 HIS : no HE2:sc= 0.102 K(o=1.3,f=0.51) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0238 (180deg=-0.136) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 ASN : amide:sc= 1.08 K(o=1.1,f=-0.63) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 11 HIS : no HD1:sc= -0.0596 K(o=-0.06,f=-1.3) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 159:sc= -0.141 (180deg=-0.754) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 88:sc= 0.932 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0.00717 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0.927 (180deg=0.923) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 146:sc= -0.04 USER MOD Single : A 48 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.13) USER MOD Single : A 50 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.28) USER MOD Single : A 53 THR OG1 : rot -170:sc= 0.129 USER MOD Single : A 60 TYR OH : rot 165:sc= -0.197 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -155:sc= -0.451 (180deg=-1.77) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0822) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.0571 (180deg=-0.349) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot -49:sc= -0.293 USER MOD Single : A 70 ASN : amide:sc= -0.0166 K(o=-0.017,f=-1.4) USER MOD Single : A 73 SER OG : rot 31:sc= 0.607 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0839 USER MOD Single : A 76 GLN : amide:sc= -0.0362 K(o=-0.036,f=-1) USER MOD Single : A 78 ASN : amide:sc= 1.25 K(o=1.3,f=-1.3!) USER MOD Single : A 80 SER OG : rot 53:sc= 1.2 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 66:sc= 0.489 USER MOD Single : A 87 SER OG : rot 91:sc= 0.16 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -164:sc= -0.55 (180deg=-0.851) USER MOD Single : A 97 ASN : amide:sc= -0.0216 K(o=-0.022,f=-4.9!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc=-0.00644 X(o=-0.0064,f=-0.11) USER MOD Single : A 108 HIS : no HD1:sc= -0.0347 X(o=-0.035,f=-0.015) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HE2:sc= 1.07 K(o=1.1,f=-5.3!) USER MOD Single : A 111 HIS : no HD1:sc=-0.00442 X(o=-0.0044,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.342 10.191 8.457 1.00 50.20 N ATOM 2 CA MET A 1 17.083 10.678 9.066 1.00 12.23 C ATOM 3 C MET A 1 15.881 10.141 8.292 1.00 53.43 C ATOM 4 O MET A 1 15.032 10.904 7.836 1.00 13.41 O ATOM 5 CB MET A 1 17.064 12.214 9.100 1.00 50.31 C ATOM 6 CG MET A 1 17.203 12.872 7.733 1.00 11.00 C ATOM 7 SD MET A 1 17.179 14.673 7.819 1.00 61.34 S ATOM 8 CE MET A 1 17.290 15.095 6.079 1.00 10.05 C ATOM 0 H1 MET A 1 19.152 10.655 8.916 1.00 50.20 H new ATOM 0 H2 MET A 1 18.414 9.162 8.586 1.00 50.20 H new ATOM 0 H3 MET A 1 18.345 10.414 7.441 1.00 50.20 H new ATOM 0 HA MET A 1 17.025 10.313 10.091 1.00 12.23 H new ATOM 0 HB2 MET A 1 16.131 12.544 9.556 1.00 50.31 H new ATOM 0 HB3 MET A 1 17.873 12.562 9.742 1.00 50.31 H new ATOM 0 HG2 MET A 1 18.136 12.547 7.272 1.00 11.00 H new ATOM 0 HG3 MET A 1 16.393 12.533 7.087 1.00 11.00 H new ATOM 0 HE1 MET A 1 17.286 16.179 5.967 1.00 10.05 H new ATOM 0 HE2 MET A 1 18.213 14.690 5.665 1.00 10.05 H new ATOM 0 HE3 MET A 1 16.438 14.672 5.547 1.00 10.05 H new ATOM 20 N ASN A 2 15.806 8.814 8.205 1.00 61.45 N ATOM 21 CA ASN A 2 14.819 8.121 7.372 1.00 64.25 C ATOM 22 C ASN A 2 15.112 8.377 5.904 1.00 31.41 C ATOM 23 O ASN A 2 14.609 9.331 5.312 1.00 15.51 O ATOM 24 CB ASN A 2 13.373 8.527 7.701 1.00 11.43 C ATOM 25 CG ASN A 2 13.016 8.307 9.158 1.00 11.34 C ATOM 26 OD1 ASN A 2 12.624 7.212 9.557 1.00 51.05 O ATOM 27 ND2 ASN A 2 13.128 9.355 9.958 1.00 71.43 N ATOM 0 H ASN A 2 16.429 8.185 8.711 1.00 61.45 H new ATOM 0 HA ASN A 2 14.906 7.056 7.589 1.00 64.25 H new ATOM 0 HB2 ASN A 2 13.230 9.579 7.452 1.00 11.43 H new ATOM 0 HB3 ASN A 2 12.689 7.955 7.074 1.00 11.43 H new ATOM 0 HD21 ASN A 2 12.885 9.271 10.945 1.00 71.43 H new ATOM 0 HD22 ASN A 2 13.457 10.246 9.588 1.00 71.43 H new ATOM 34 N ASN A 3 15.955 7.534 5.331 1.00 63.53 N ATOM 35 CA ASN A 3 16.382 7.705 3.951 1.00 53.33 C ATOM 36 C ASN A 3 15.228 7.442 2.998 1.00 12.20 C ATOM 37 O ASN A 3 14.403 6.555 3.237 1.00 63.41 O ATOM 38 CB ASN A 3 17.539 6.757 3.625 1.00 31.55 C ATOM 39 CG ASN A 3 18.796 7.063 4.418 1.00 75.01 C ATOM 40 OD1 ASN A 3 19.079 8.216 4.746 1.00 33.55 O ATOM 41 ND2 ASN A 3 19.553 6.027 4.743 1.00 63.01 N ATOM 0 H ASN A 3 16.358 6.723 5.800 1.00 63.53 H new ATOM 0 HA ASN A 3 16.718 8.735 3.828 1.00 53.33 H new ATOM 0 HB2 ASN A 3 17.229 5.732 3.826 1.00 31.55 H new ATOM 0 HB3 ASN A 3 17.763 6.819 2.560 1.00 31.55 H new ATOM 0 HD21 ASN A 3 20.406 6.168 5.285 1.00 63.01 H new ATOM 0 HD22 ASN A 3 19.284 5.087 4.452 1.00 63.01 H new ATOM 48 N PRO A 4 15.154 8.211 1.905 1.00 51.15 N ATOM 49 CA PRO A 4 14.164 7.997 0.856 1.00 3.14 C ATOM 50 C PRO A 4 14.448 6.712 0.095 1.00 33.32 C ATOM 51 O PRO A 4 15.357 6.664 -0.737 1.00 34.23 O ATOM 52 CB PRO A 4 14.316 9.217 -0.063 1.00 64.23 C ATOM 53 CG PRO A 4 15.161 10.186 0.698 1.00 3.43 C ATOM 54 CD PRO A 4 16.014 9.362 1.614 1.00 73.12 C ATOM 0 HA PRO A 4 13.154 7.896 1.254 1.00 3.14 H new ATOM 0 HB2 PRO A 4 14.787 8.942 -1.006 1.00 64.23 H new ATOM 0 HB3 PRO A 4 13.345 9.649 -0.306 1.00 64.23 H new ATOM 0 HG2 PRO A 4 15.776 10.781 0.023 1.00 3.43 H new ATOM 0 HG3 PRO A 4 14.542 10.883 1.263 1.00 3.43 H new ATOM 0 HD2 PRO A 4 16.947 9.061 1.137 1.00 73.12 H new ATOM 0 HD3 PRO A 4 16.281 9.908 2.519 1.00 73.12 H new ATOM 62 N SER A 5 13.679 5.674 0.413 1.00 43.14 N ATOM 63 CA SER A 5 13.878 4.343 -0.142 1.00 12.33 C ATOM 64 C SER A 5 15.199 3.740 0.344 1.00 3.21 C ATOM 65 O SER A 5 16.200 3.739 -0.374 1.00 44.53 O ATOM 66 CB SER A 5 13.828 4.363 -1.676 1.00 55.43 C ATOM 67 OG SER A 5 12.616 4.939 -2.141 1.00 61.23 O ATOM 0 H SER A 5 12.898 5.735 1.066 1.00 43.14 H new ATOM 0 HA SER A 5 13.061 3.714 0.212 1.00 12.33 H new ATOM 0 HB2 SER A 5 14.675 4.929 -2.063 1.00 55.43 H new ATOM 0 HB3 SER A 5 13.922 3.347 -2.059 1.00 55.43 H new ATOM 0 HG SER A 5 12.610 4.941 -3.121 1.00 61.23 H new ATOM 73 N ASP A 6 15.200 3.240 1.578 1.00 34.22 N ATOM 74 CA ASP A 6 16.363 2.531 2.112 1.00 50.42 C ATOM 75 C ASP A 6 16.302 1.079 1.666 1.00 55.13 C ATOM 76 O ASP A 6 17.130 0.245 2.028 1.00 63.24 O ATOM 77 CB ASP A 6 16.404 2.629 3.643 1.00 62.44 C ATOM 78 CG ASP A 6 17.799 2.431 4.216 1.00 3.12 C ATOM 79 OD1 ASP A 6 18.574 3.412 4.270 1.00 65.43 O ATOM 80 OD2 ASP A 6 18.121 1.299 4.640 1.00 73.21 O ATOM 0 H ASP A 6 14.414 3.311 2.224 1.00 34.22 H new ATOM 0 HA ASP A 6 17.275 2.990 1.729 1.00 50.42 H new ATOM 0 HB2 ASP A 6 16.027 3.605 3.949 1.00 62.44 H new ATOM 0 HB3 ASP A 6 15.734 1.881 4.067 1.00 62.44 H new ATOM 85 N PHE A 7 15.297 0.811 0.861 1.00 45.15 N ATOM 86 CA PHE A 7 15.120 -0.447 0.189 1.00 13.25 C ATOM 87 C PHE A 7 14.960 -0.164 -1.296 1.00 52.50 C ATOM 88 O PHE A 7 14.523 0.929 -1.669 1.00 31.14 O ATOM 89 CB PHE A 7 13.887 -1.156 0.737 1.00 60.12 C ATOM 90 CG PHE A 7 14.087 -1.776 2.092 1.00 24.21 C ATOM 91 CD1 PHE A 7 13.836 -1.053 3.245 1.00 32.44 C ATOM 92 CD2 PHE A 7 14.524 -3.085 2.207 1.00 64.22 C ATOM 93 CE1 PHE A 7 14.017 -1.622 4.492 1.00 1.13 C ATOM 94 CE2 PHE A 7 14.707 -3.661 3.450 1.00 24.32 C ATOM 95 CZ PHE A 7 14.454 -2.928 4.593 1.00 4.42 C ATOM 0 H PHE A 7 14.561 1.486 0.653 1.00 45.15 H new ATOM 0 HA PHE A 7 15.981 -1.096 0.352 1.00 13.25 H new ATOM 0 HB2 PHE A 7 13.066 -0.442 0.794 1.00 60.12 H new ATOM 0 HB3 PHE A 7 13.586 -1.933 0.035 1.00 60.12 H new ATOM 0 HD1 PHE A 7 13.494 -0.031 3.170 1.00 32.44 H new ATOM 0 HD2 PHE A 7 14.724 -3.662 1.316 1.00 64.22 H new ATOM 0 HE1 PHE A 7 13.817 -1.047 5.384 1.00 1.13 H new ATOM 0 HE2 PHE A 7 15.047 -4.683 3.527 1.00 24.32 H new ATOM 0 HZ PHE A 7 14.598 -3.376 5.565 1.00 4.42 H new ATOM 105 N LYS A 8 15.316 -1.122 -2.139 1.00 70.24 N ATOM 106 CA LYS A 8 15.267 -0.916 -3.581 1.00 70.40 C ATOM 107 C LYS A 8 13.838 -0.752 -4.079 1.00 10.01 C ATOM 108 O LYS A 8 13.599 -0.168 -5.138 1.00 62.01 O ATOM 109 CB LYS A 8 15.991 -2.052 -4.308 1.00 2.31 C ATOM 110 CG LYS A 8 15.568 -3.469 -3.934 1.00 23.25 C ATOM 111 CD LYS A 8 14.267 -3.887 -4.595 1.00 41.10 C ATOM 112 CE LYS A 8 14.088 -5.391 -4.523 1.00 5.34 C ATOM 113 NZ LYS A 8 12.708 -5.815 -4.865 1.00 10.54 N ATOM 0 H LYS A 8 15.641 -2.046 -1.853 1.00 70.24 H new ATOM 0 HA LYS A 8 15.786 0.016 -3.806 1.00 70.40 H new ATOM 0 HB2 LYS A 8 15.843 -1.922 -5.380 1.00 2.31 H new ATOM 0 HB3 LYS A 8 17.060 -1.953 -4.120 1.00 2.31 H new ATOM 0 HG2 LYS A 8 16.356 -4.166 -4.220 1.00 23.25 H new ATOM 0 HG3 LYS A 8 15.459 -3.537 -2.852 1.00 23.25 H new ATOM 0 HD2 LYS A 8 13.429 -3.392 -4.104 1.00 41.10 H new ATOM 0 HD3 LYS A 8 14.262 -3.565 -5.636 1.00 41.10 H new ATOM 0 HE2 LYS A 8 14.791 -5.871 -5.204 1.00 5.34 H new ATOM 0 HE3 LYS A 8 14.332 -5.735 -3.518 1.00 5.34 H new ATOM 0 HZ1 LYS A 8 12.659 -6.854 -4.884 1.00 10.54 H new ATOM 0 HZ2 LYS A 8 12.046 -5.450 -4.151 1.00 10.54 H new ATOM 0 HZ3 LYS A 8 12.451 -5.439 -5.800 1.00 10.54 H new ATOM 127 N SER A 9 12.894 -1.262 -3.315 1.00 50.51 N ATOM 128 CA SER A 9 11.484 -1.082 -3.632 1.00 44.12 C ATOM 129 C SER A 9 10.683 -0.831 -2.361 1.00 35.25 C ATOM 130 O SER A 9 11.070 -1.275 -1.279 1.00 33.14 O ATOM 131 CB SER A 9 10.938 -2.310 -4.366 1.00 10.35 C ATOM 132 OG SER A 9 9.577 -2.132 -4.731 1.00 34.51 O ATOM 0 H SER A 9 13.073 -1.805 -2.470 1.00 50.51 H new ATOM 0 HA SER A 9 11.386 -0.215 -4.285 1.00 44.12 H new ATOM 0 HB2 SER A 9 11.534 -2.497 -5.259 1.00 10.35 H new ATOM 0 HB3 SER A 9 11.034 -3.189 -3.729 1.00 10.35 H new ATOM 0 HG SER A 9 9.257 -2.931 -5.199 1.00 34.51 H new ATOM 138 N PHE A 10 9.567 -0.114 -2.495 1.00 70.33 N ATOM 139 CA PHE A 10 8.668 0.102 -1.373 1.00 73.31 C ATOM 140 C PHE A 10 8.050 -1.221 -0.955 1.00 43.13 C ATOM 141 O PHE A 10 7.729 -1.421 0.209 1.00 61.11 O ATOM 142 CB PHE A 10 7.578 1.124 -1.720 1.00 62.54 C ATOM 143 CG PHE A 10 8.121 2.503 -1.979 1.00 5.12 C ATOM 144 CD1 PHE A 10 8.497 3.320 -0.925 1.00 23.35 C ATOM 145 CD2 PHE A 10 8.261 2.977 -3.272 1.00 25.45 C ATOM 146 CE1 PHE A 10 9.004 4.584 -1.157 1.00 34.21 C ATOM 147 CE2 PHE A 10 8.769 4.240 -3.511 1.00 63.35 C ATOM 148 CZ PHE A 10 9.140 5.046 -2.450 1.00 64.33 C ATOM 0 H PHE A 10 9.269 0.323 -3.367 1.00 70.33 H new ATOM 0 HA PHE A 10 9.243 0.509 -0.541 1.00 73.31 H new ATOM 0 HB2 PHE A 10 7.036 0.782 -2.602 1.00 62.54 H new ATOM 0 HB3 PHE A 10 6.859 1.171 -0.902 1.00 62.54 H new ATOM 0 HD1 PHE A 10 8.393 2.965 0.089 1.00 23.35 H new ATOM 0 HD2 PHE A 10 7.970 2.353 -4.104 1.00 25.45 H new ATOM 0 HE1 PHE A 10 9.294 5.210 -0.326 1.00 34.21 H new ATOM 0 HE2 PHE A 10 8.876 4.597 -4.525 1.00 63.35 H new ATOM 0 HZ PHE A 10 9.535 6.034 -2.633 1.00 64.33 H new ATOM 158 N HIS A 11 7.921 -2.134 -1.918 1.00 55.42 N ATOM 159 CA HIS A 11 7.444 -3.487 -1.642 1.00 70.43 C ATOM 160 C HIS A 11 8.327 -4.155 -0.594 1.00 64.12 C ATOM 161 O HIS A 11 7.841 -4.859 0.287 1.00 64.42 O ATOM 162 CB HIS A 11 7.435 -4.318 -2.937 1.00 55.41 C ATOM 163 CG HIS A 11 7.293 -5.801 -2.727 1.00 72.21 C ATOM 164 ND1 HIS A 11 6.078 -6.434 -2.585 1.00 71.24 N ATOM 165 CD2 HIS A 11 8.233 -6.774 -2.642 1.00 3.01 C ATOM 166 CE1 HIS A 11 6.276 -7.731 -2.422 1.00 61.22 C ATOM 167 NE2 HIS A 11 7.576 -7.963 -2.454 1.00 71.23 N ATOM 0 H HIS A 11 8.141 -1.959 -2.898 1.00 55.42 H new ATOM 0 HA HIS A 11 6.427 -3.428 -1.254 1.00 70.43 H new ATOM 0 HB2 HIS A 11 6.616 -3.974 -3.569 1.00 55.41 H new ATOM 0 HB3 HIS A 11 8.360 -4.128 -3.482 1.00 55.41 H new ATOM 0 HD2 HIS A 11 9.302 -6.638 -2.710 1.00 3.01 H new ATOM 0 HE1 HIS A 11 5.505 -8.475 -2.286 1.00 61.22 H new ATOM 0 HE2 HIS A 11 8.019 -8.877 -2.355 1.00 71.23 H new ATOM 176 N ASP A 12 9.623 -3.916 -0.707 1.00 33.21 N ATOM 177 CA ASP A 12 10.606 -4.495 0.195 1.00 4.00 C ATOM 178 C ASP A 12 10.476 -3.903 1.593 1.00 12.20 C ATOM 179 O ASP A 12 10.615 -4.607 2.594 1.00 64.35 O ATOM 180 CB ASP A 12 12.011 -4.259 -0.361 1.00 1.14 C ATOM 181 CG ASP A 12 12.302 -5.133 -1.561 1.00 34.12 C ATOM 182 OD1 ASP A 12 11.655 -4.939 -2.615 1.00 4.15 O ATOM 183 OD2 ASP A 12 13.173 -6.022 -1.456 1.00 62.41 O ATOM 0 H ASP A 12 10.024 -3.315 -1.427 1.00 33.21 H new ATOM 0 HA ASP A 12 10.427 -5.567 0.271 1.00 4.00 H new ATOM 0 HB2 ASP A 12 12.118 -3.211 -0.642 1.00 1.14 H new ATOM 0 HB3 ASP A 12 12.747 -4.457 0.418 1.00 1.14 H new ATOM 188 N PHE A 13 10.194 -2.609 1.651 1.00 32.24 N ATOM 189 CA PHE A 13 9.989 -1.931 2.923 1.00 52.12 C ATOM 190 C PHE A 13 8.677 -2.386 3.558 1.00 23.21 C ATOM 191 O PHE A 13 8.626 -2.692 4.752 1.00 25.21 O ATOM 192 CB PHE A 13 9.988 -0.412 2.726 1.00 62.14 C ATOM 193 CG PHE A 13 9.858 0.362 4.008 1.00 14.23 C ATOM 194 CD1 PHE A 13 10.951 0.536 4.841 1.00 2.31 C ATOM 195 CD2 PHE A 13 8.640 0.911 4.384 1.00 4.10 C ATOM 196 CE1 PHE A 13 10.836 1.246 6.019 1.00 53.40 C ATOM 197 CE2 PHE A 13 8.519 1.622 5.563 1.00 1.42 C ATOM 198 CZ PHE A 13 9.619 1.788 6.383 1.00 14.41 C ATOM 0 H PHE A 13 10.102 -2.008 0.832 1.00 32.24 H new ATOM 0 HA PHE A 13 10.809 -2.191 3.592 1.00 52.12 H new ATOM 0 HB2 PHE A 13 10.911 -0.118 2.226 1.00 62.14 H new ATOM 0 HB3 PHE A 13 9.167 -0.141 2.063 1.00 62.14 H new ATOM 0 HD1 PHE A 13 11.905 0.111 4.565 1.00 2.31 H new ATOM 0 HD2 PHE A 13 7.777 0.781 3.748 1.00 4.10 H new ATOM 0 HE1 PHE A 13 11.698 1.378 6.656 1.00 53.40 H new ATOM 0 HE2 PHE A 13 7.566 2.047 5.843 1.00 1.42 H new ATOM 0 HZ PHE A 13 9.527 2.340 7.306 1.00 14.41 H new ATOM 208 N VAL A 14 7.624 -2.440 2.747 1.00 14.12 N ATOM 209 CA VAL A 14 6.314 -2.880 3.213 1.00 63.54 C ATOM 210 C VAL A 14 6.379 -4.307 3.738 1.00 62.14 C ATOM 211 O VAL A 14 5.879 -4.591 4.820 1.00 1.12 O ATOM 212 CB VAL A 14 5.243 -2.810 2.099 1.00 64.41 C ATOM 213 CG1 VAL A 14 3.900 -3.316 2.607 1.00 71.43 C ATOM 214 CG2 VAL A 14 5.105 -1.395 1.569 1.00 44.40 C ATOM 0 H VAL A 14 7.654 -2.183 1.760 1.00 14.12 H new ATOM 0 HA VAL A 14 6.027 -2.199 4.014 1.00 63.54 H new ATOM 0 HB VAL A 14 5.569 -3.454 1.282 1.00 64.41 H new ATOM 0 HG11 VAL A 14 3.163 -3.257 1.806 1.00 71.43 H new ATOM 0 HG12 VAL A 14 4.001 -4.351 2.932 1.00 71.43 H new ATOM 0 HG13 VAL A 14 3.574 -2.702 3.446 1.00 71.43 H new ATOM 0 HG21 VAL A 14 4.346 -1.372 0.787 1.00 44.40 H new ATOM 0 HG22 VAL A 14 4.810 -0.730 2.380 1.00 44.40 H new ATOM 0 HG23 VAL A 14 6.059 -1.066 1.158 1.00 44.40 H new ATOM 224 N ALA A 15 7.018 -5.189 2.971 1.00 14.42 N ATOM 225 CA ALA A 15 7.104 -6.606 3.317 1.00 71.22 C ATOM 226 C ALA A 15 7.725 -6.816 4.693 1.00 12.43 C ATOM 227 O ALA A 15 7.351 -7.743 5.412 1.00 44.04 O ATOM 228 CB ALA A 15 7.899 -7.360 2.265 1.00 61.52 C ATOM 0 H ALA A 15 7.487 -4.944 2.099 1.00 14.42 H new ATOM 0 HA ALA A 15 6.087 -6.997 3.348 1.00 71.22 H new ATOM 0 HB1 ALA A 15 7.954 -8.414 2.537 1.00 61.52 H new ATOM 0 HB2 ALA A 15 7.408 -7.260 1.297 1.00 61.52 H new ATOM 0 HB3 ALA A 15 8.906 -6.948 2.205 1.00 61.52 H new ATOM 234 N SER A 16 8.656 -5.946 5.059 1.00 32.22 N ATOM 235 CA SER A 16 9.328 -6.039 6.345 1.00 72.24 C ATOM 236 C SER A 16 8.322 -5.904 7.487 1.00 74.43 C ATOM 237 O SER A 16 8.336 -6.687 8.436 1.00 51.44 O ATOM 238 CB SER A 16 10.418 -4.961 6.445 1.00 4.34 C ATOM 239 OG SER A 16 11.251 -5.156 7.577 1.00 64.24 O ATOM 0 H SER A 16 8.963 -5.165 4.480 1.00 32.22 H new ATOM 0 HA SER A 16 9.799 -7.018 6.427 1.00 72.24 H new ATOM 0 HB2 SER A 16 11.026 -4.974 5.540 1.00 4.34 H new ATOM 0 HB3 SER A 16 9.952 -3.977 6.502 1.00 4.34 H new ATOM 0 HG SER A 16 11.933 -4.453 7.606 1.00 64.24 H new ATOM 245 N TYR A 17 7.438 -4.922 7.386 1.00 40.42 N ATOM 246 CA TYR A 17 6.383 -4.756 8.376 1.00 51.51 C ATOM 247 C TYR A 17 5.263 -5.767 8.131 1.00 11.01 C ATOM 248 O TYR A 17 4.698 -6.331 9.069 1.00 3.44 O ATOM 249 CB TYR A 17 5.832 -3.326 8.336 1.00 12.50 C ATOM 250 CG TYR A 17 4.656 -3.101 9.263 1.00 42.32 C ATOM 251 CD1 TYR A 17 4.842 -2.938 10.630 1.00 52.14 C ATOM 252 CD2 TYR A 17 3.358 -3.060 8.768 1.00 43.23 C ATOM 253 CE1 TYR A 17 3.766 -2.737 11.477 1.00 12.22 C ATOM 254 CE2 TYR A 17 2.280 -2.863 9.607 1.00 22.03 C ATOM 255 CZ TYR A 17 2.487 -2.701 10.960 1.00 10.23 C ATOM 256 OH TYR A 17 1.409 -2.509 11.797 1.00 14.30 O ATOM 0 H TYR A 17 7.429 -4.232 6.634 1.00 40.42 H new ATOM 0 HA TYR A 17 6.803 -4.936 9.366 1.00 51.51 H new ATOM 0 HB2 TYR A 17 6.629 -2.631 8.600 1.00 12.50 H new ATOM 0 HB3 TYR A 17 5.529 -3.091 7.316 1.00 12.50 H new ATOM 0 HD1 TYR A 17 5.841 -2.969 11.038 1.00 52.14 H new ATOM 0 HD2 TYR A 17 3.190 -3.184 7.708 1.00 43.23 H new ATOM 0 HE1 TYR A 17 3.927 -2.609 12.537 1.00 12.22 H new ATOM 0 HE2 TYR A 17 1.278 -2.836 9.205 1.00 22.03 H new ATOM 0 HH TYR A 17 0.582 -2.509 11.271 1.00 14.30 H new ATOM 266 N MET A 18 4.976 -5.997 6.857 1.00 71.21 N ATOM 267 CA MET A 18 3.881 -6.864 6.426 1.00 12.11 C ATOM 268 C MET A 18 4.012 -8.276 6.988 1.00 3.51 C ATOM 269 O MET A 18 3.026 -8.857 7.448 1.00 54.33 O ATOM 270 CB MET A 18 3.844 -6.916 4.894 1.00 1.41 C ATOM 271 CG MET A 18 2.694 -7.731 4.326 1.00 10.25 C ATOM 272 SD MET A 18 1.083 -6.984 4.648 1.00 11.30 S ATOM 273 CE MET A 18 1.223 -5.436 3.755 1.00 24.12 C ATOM 0 H MET A 18 5.500 -5.585 6.085 1.00 71.21 H new ATOM 0 HA MET A 18 2.952 -6.444 6.811 1.00 12.11 H new ATOM 0 HB2 MET A 18 3.779 -5.899 4.509 1.00 1.41 H new ATOM 0 HB3 MET A 18 4.784 -7.334 4.533 1.00 1.41 H new ATOM 0 HG2 MET A 18 2.830 -7.842 3.250 1.00 10.25 H new ATOM 0 HG3 MET A 18 2.717 -8.733 4.755 1.00 10.25 H new ATOM 0 HE1 MET A 18 0.227 -5.047 3.544 1.00 24.12 H new ATOM 0 HE2 MET A 18 1.774 -4.715 4.360 1.00 24.12 H new ATOM 0 HE3 MET A 18 1.754 -5.603 2.818 1.00 24.12 H new ATOM 283 N LYS A 19 5.230 -8.819 6.972 1.00 61.14 N ATOM 284 CA LYS A 19 5.458 -10.200 7.397 1.00 71.54 C ATOM 285 C LYS A 19 5.089 -10.410 8.866 1.00 64.43 C ATOM 286 O LYS A 19 4.827 -11.534 9.285 1.00 13.32 O ATOM 287 CB LYS A 19 6.904 -10.640 7.093 1.00 32.33 C ATOM 288 CG LYS A 19 7.978 -9.864 7.832 1.00 51.21 C ATOM 289 CD LYS A 19 8.101 -10.334 9.263 1.00 43.34 C ATOM 290 CE LYS A 19 8.738 -9.286 10.140 1.00 13.42 C ATOM 291 NZ LYS A 19 10.219 -9.278 10.021 1.00 51.21 N ATOM 0 H LYS A 19 6.070 -8.326 6.671 1.00 61.14 H new ATOM 0 HA LYS A 19 4.794 -10.840 6.816 1.00 71.54 H new ATOM 0 HB2 LYS A 19 7.006 -11.697 7.339 1.00 32.33 H new ATOM 0 HB3 LYS A 19 7.080 -10.544 6.022 1.00 32.33 H new ATOM 0 HG2 LYS A 19 8.934 -9.985 7.323 1.00 51.21 H new ATOM 0 HG3 LYS A 19 7.740 -8.800 7.814 1.00 51.21 H new ATOM 0 HD2 LYS A 19 7.113 -10.582 9.651 1.00 43.34 H new ATOM 0 HD3 LYS A 19 8.695 -11.247 9.297 1.00 43.34 H new ATOM 0 HE2 LYS A 19 8.348 -8.304 9.871 1.00 13.42 H new ATOM 0 HE3 LYS A 19 8.460 -9.466 11.178 1.00 13.42 H new ATOM 0 HZ1 LYS A 19 10.613 -8.542 10.641 1.00 51.21 H new ATOM 0 HZ2 LYS A 19 10.595 -10.206 10.302 1.00 51.21 H new ATOM 0 HZ3 LYS A 19 10.487 -9.080 9.036 1.00 51.21 H new ATOM 305 N THR A 20 5.058 -9.325 9.633 1.00 71.33 N ATOM 306 CA THR A 20 4.742 -9.399 11.051 1.00 34.35 C ATOM 307 C THR A 20 3.362 -10.020 11.278 1.00 51.41 C ATOM 308 O THR A 20 3.242 -11.067 11.914 1.00 14.05 O ATOM 309 CB THR A 20 4.793 -8.004 11.701 1.00 52.21 C ATOM 310 OG1 THR A 20 5.992 -7.325 11.297 1.00 52.34 O ATOM 311 CG2 THR A 20 4.753 -8.106 13.220 1.00 64.35 C ATOM 0 H THR A 20 5.249 -8.382 9.293 1.00 71.33 H new ATOM 0 HA THR A 20 5.494 -10.035 11.518 1.00 34.35 H new ATOM 0 HB THR A 20 3.920 -7.441 11.370 1.00 52.21 H new ATOM 0 HG1 THR A 20 5.828 -6.842 10.460 1.00 52.34 H new ATOM 0 HG21 THR A 20 4.790 -7.106 13.653 1.00 64.35 H new ATOM 0 HG22 THR A 20 3.831 -8.600 13.527 1.00 64.35 H new ATOM 0 HG23 THR A 20 5.609 -8.684 13.568 1.00 64.35 H new ATOM 319 N TYR A 21 2.321 -9.390 10.739 1.00 14.50 N ATOM 320 CA TYR A 21 0.968 -9.884 10.938 1.00 53.42 C ATOM 321 C TYR A 21 0.653 -10.995 9.939 1.00 42.30 C ATOM 322 O TYR A 21 -0.165 -11.872 10.212 1.00 74.42 O ATOM 323 CB TYR A 21 -0.050 -8.734 10.838 1.00 61.12 C ATOM 324 CG TYR A 21 -0.692 -8.554 9.476 1.00 41.04 C ATOM 325 CD1 TYR A 21 -0.065 -7.832 8.471 1.00 42.53 C ATOM 326 CD2 TYR A 21 -1.937 -9.110 9.203 1.00 34.44 C ATOM 327 CE1 TYR A 21 -0.661 -7.671 7.234 1.00 4.13 C ATOM 328 CE2 TYR A 21 -2.538 -8.953 7.971 1.00 75.14 C ATOM 329 CZ TYR A 21 -1.896 -8.235 6.988 1.00 74.41 C ATOM 330 OH TYR A 21 -2.488 -8.082 5.752 1.00 40.35 O ATOM 0 H TYR A 21 2.390 -8.547 10.169 1.00 14.50 H new ATOM 0 HA TYR A 21 0.894 -10.305 11.941 1.00 53.42 H new ATOM 0 HB2 TYR A 21 -0.837 -8.902 11.573 1.00 61.12 H new ATOM 0 HB3 TYR A 21 0.449 -7.804 11.112 1.00 61.12 H new ATOM 0 HD1 TYR A 21 0.902 -7.389 8.658 1.00 42.53 H new ATOM 0 HD2 TYR A 21 -2.444 -9.676 9.971 1.00 34.44 H new ATOM 0 HE1 TYR A 21 -0.161 -7.105 6.462 1.00 4.13 H new ATOM 0 HE2 TYR A 21 -3.506 -9.391 7.779 1.00 75.14 H new ATOM 0 HH TYR A 21 -2.086 -8.711 5.117 1.00 40.35 H new ATOM 340 N SER A 22 1.329 -10.973 8.790 1.00 32.10 N ATOM 341 CA SER A 22 1.125 -11.993 7.765 1.00 42.35 C ATOM 342 C SER A 22 1.655 -13.348 8.228 1.00 35.02 C ATOM 343 O SER A 22 1.288 -14.391 7.687 1.00 3.12 O ATOM 344 CB SER A 22 1.802 -11.579 6.459 1.00 74.43 C ATOM 345 OG SER A 22 1.285 -10.345 5.984 1.00 60.41 O ATOM 0 H SER A 22 2.020 -10.262 8.548 1.00 32.10 H new ATOM 0 HA SER A 22 0.053 -12.087 7.591 1.00 42.35 H new ATOM 0 HB2 SER A 22 2.877 -11.490 6.615 1.00 74.43 H new ATOM 0 HB3 SER A 22 1.652 -12.353 5.707 1.00 74.43 H new ATOM 0 HG SER A 22 1.724 -9.604 6.453 1.00 60.41 H new ATOM 351 N ARG A 23 2.508 -13.320 9.244 1.00 34.51 N ATOM 352 CA ARG A 23 3.034 -14.537 9.843 1.00 72.21 C ATOM 353 C ARG A 23 1.893 -15.321 10.486 1.00 14.15 C ATOM 354 O ARG A 23 1.956 -16.539 10.619 1.00 53.15 O ATOM 355 CB ARG A 23 4.100 -14.166 10.884 1.00 43.14 C ATOM 356 CG ARG A 23 5.126 -15.253 11.180 1.00 31.11 C ATOM 357 CD ARG A 23 4.569 -16.365 12.054 1.00 3.41 C ATOM 358 NE ARG A 23 5.632 -17.183 12.632 1.00 51.31 N ATOM 359 CZ ARG A 23 5.589 -18.509 12.735 1.00 12.33 C ATOM 360 NH1 ARG A 23 4.575 -19.192 12.215 1.00 70.23 N ATOM 361 NH2 ARG A 23 6.569 -19.150 13.355 1.00 4.10 N ATOM 0 H ARG A 23 2.852 -12.460 9.672 1.00 34.51 H new ATOM 0 HA ARG A 23 3.495 -15.164 9.080 1.00 72.21 H new ATOM 0 HB2 ARG A 23 4.627 -13.276 10.539 1.00 43.14 H new ATOM 0 HB3 ARG A 23 3.599 -13.899 11.814 1.00 43.14 H new ATOM 0 HG2 ARG A 23 5.480 -15.678 10.241 1.00 31.11 H new ATOM 0 HG3 ARG A 23 5.989 -14.807 11.674 1.00 31.11 H new ATOM 0 HD2 ARG A 23 3.967 -15.932 12.853 1.00 3.41 H new ATOM 0 HD3 ARG A 23 3.906 -16.996 11.462 1.00 3.41 H new ATOM 0 HE ARG A 23 6.463 -16.706 12.980 1.00 51.31 H new ATOM 0 HH11 ARG A 23 3.823 -18.700 11.733 1.00 70.23 H new ATOM 0 HH12 ARG A 23 4.549 -20.208 12.298 1.00 70.23 H new ATOM 0 HH21 ARG A 23 7.351 -18.627 13.750 1.00 4.10 H new ATOM 0 HH22 ARG A 23 6.542 -20.166 13.437 1.00 4.10 H new ATOM 375 N ARG A 24 0.836 -14.610 10.860 1.00 51.33 N ATOM 376 CA ARG A 24 -0.319 -15.227 11.493 1.00 50.00 C ATOM 377 C ARG A 24 -1.489 -15.307 10.517 1.00 21.00 C ATOM 378 O ARG A 24 -2.648 -15.408 10.925 1.00 60.44 O ATOM 379 CB ARG A 24 -0.725 -14.443 12.741 1.00 61.11 C ATOM 380 CG ARG A 24 0.308 -14.496 13.848 1.00 43.45 C ATOM 381 CD ARG A 24 -0.156 -13.745 15.079 1.00 43.23 C ATOM 382 NE ARG A 24 0.811 -13.846 16.168 1.00 20.11 N ATOM 383 CZ ARG A 24 0.694 -13.225 17.336 1.00 63.30 C ATOM 384 NH1 ARG A 24 -0.343 -12.431 17.575 1.00 43.53 N ATOM 385 NH2 ARG A 24 1.627 -13.395 18.261 1.00 51.33 N ATOM 0 H ARG A 24 0.757 -13.601 10.734 1.00 51.33 H new ATOM 0 HA ARG A 24 -0.046 -16.240 11.789 1.00 50.00 H new ATOM 0 HB2 ARG A 24 -0.899 -13.403 12.467 1.00 61.11 H new ATOM 0 HB3 ARG A 24 -1.670 -14.836 13.117 1.00 61.11 H new ATOM 0 HG2 ARG A 24 0.510 -15.535 14.109 1.00 43.45 H new ATOM 0 HG3 ARG A 24 1.246 -14.069 13.492 1.00 43.45 H new ATOM 0 HD2 ARG A 24 -0.313 -12.696 14.828 1.00 43.23 H new ATOM 0 HD3 ARG A 24 -1.117 -14.142 15.407 1.00 43.23 H new ATOM 0 HE ARG A 24 1.632 -14.433 16.022 1.00 20.11 H new ATOM 0 HH11 ARG A 24 -1.057 -12.295 16.859 1.00 43.53 H new ATOM 0 HH12 ARG A 24 -0.426 -11.957 18.475 1.00 43.53 H new ATOM 0 HH21 ARG A 24 2.427 -13.999 18.073 1.00 51.33 H new ATOM 0 HH22 ARG A 24 1.545 -12.922 19.161 1.00 51.33 H new ATOM 399 N LEU A 25 -1.184 -15.258 9.228 1.00 4.14 N ATOM 400 CA LEU A 25 -2.183 -15.420 8.201 1.00 41.03 C ATOM 401 C LEU A 25 -2.086 -16.812 7.610 1.00 21.53 C ATOM 402 O LEU A 25 -1.105 -17.526 7.828 1.00 62.31 O ATOM 403 CB LEU A 25 -1.987 -14.391 7.087 1.00 24.21 C ATOM 404 CG LEU A 25 -2.189 -12.931 7.485 1.00 54.42 C ATOM 405 CD1 LEU A 25 -2.053 -12.030 6.269 1.00 5.44 C ATOM 406 CD2 LEU A 25 -3.544 -12.732 8.147 1.00 31.33 C ATOM 0 H LEU A 25 -0.240 -15.105 8.874 1.00 4.14 H new ATOM 0 HA LEU A 25 -3.164 -15.272 8.652 1.00 41.03 H new ATOM 0 HB2 LEU A 25 -0.978 -14.503 6.689 1.00 24.21 H new ATOM 0 HB3 LEU A 25 -2.677 -14.625 6.277 1.00 24.21 H new ATOM 0 HG LEU A 25 -1.417 -12.663 8.207 1.00 54.42 H new ATOM 0 HD11 LEU A 25 -2.199 -10.992 6.567 1.00 5.44 H new ATOM 0 HD12 LEU A 25 -1.058 -12.147 5.839 1.00 5.44 H new ATOM 0 HD13 LEU A 25 -2.804 -12.304 5.528 1.00 5.44 H new ATOM 0 HD21 LEU A 25 -3.664 -11.684 8.421 1.00 31.33 H new ATOM 0 HD22 LEU A 25 -4.334 -13.018 7.453 1.00 31.33 H new ATOM 0 HD23 LEU A 25 -3.606 -13.351 9.042 1.00 31.33 H new ATOM 418 N GLU A 26 -3.105 -17.199 6.879 1.00 11.14 N ATOM 419 CA GLU A 26 -3.074 -18.431 6.128 1.00 34.41 C ATOM 420 C GLU A 26 -2.319 -18.227 4.829 1.00 22.15 C ATOM 421 O GLU A 26 -2.079 -17.091 4.417 1.00 73.45 O ATOM 422 CB GLU A 26 -4.486 -18.904 5.827 1.00 11.34 C ATOM 423 CG GLU A 26 -5.243 -19.384 7.047 1.00 24.11 C ATOM 424 CD GLU A 26 -6.629 -19.875 6.699 1.00 14.55 C ATOM 425 OE1 GLU A 26 -7.551 -19.039 6.585 1.00 72.34 O ATOM 426 OE2 GLU A 26 -6.802 -21.098 6.513 1.00 31.23 O ATOM 0 H GLU A 26 -3.974 -16.672 6.789 1.00 11.14 H new ATOM 0 HA GLU A 26 -2.567 -19.188 6.726 1.00 34.41 H new ATOM 0 HB2 GLU A 26 -5.041 -18.088 5.364 1.00 11.34 H new ATOM 0 HB3 GLU A 26 -4.440 -19.713 5.098 1.00 11.34 H new ATOM 0 HG2 GLU A 26 -4.684 -20.187 7.527 1.00 24.11 H new ATOM 0 HG3 GLU A 26 -5.318 -18.572 7.770 1.00 24.11 H new ATOM 433 N ILE A 27 -1.964 -19.325 4.187 1.00 31.14 N ATOM 434 CA ILE A 27 -1.261 -19.270 2.913 1.00 32.31 C ATOM 435 C ILE A 27 -2.092 -18.519 1.878 1.00 55.31 C ATOM 436 O ILE A 27 -1.575 -17.671 1.151 1.00 14.34 O ATOM 437 CB ILE A 27 -0.926 -20.683 2.386 1.00 45.34 C ATOM 438 CG1 ILE A 27 0.024 -21.400 3.351 1.00 12.43 C ATOM 439 CG2 ILE A 27 -0.315 -20.614 0.996 1.00 13.10 C ATOM 440 CD1 ILE A 27 1.339 -20.676 3.567 1.00 62.21 C ATOM 0 H ILE A 27 -2.150 -20.269 4.526 1.00 31.14 H new ATOM 0 HA ILE A 27 -0.324 -18.739 3.080 1.00 32.31 H new ATOM 0 HB ILE A 27 -1.854 -21.250 2.321 1.00 45.34 H new ATOM 0 HG12 ILE A 27 -0.475 -21.523 4.313 1.00 12.43 H new ATOM 0 HG13 ILE A 27 0.229 -22.400 2.968 1.00 12.43 H new ATOM 0 HG21 ILE A 27 -0.088 -21.622 0.648 1.00 13.10 H new ATOM 0 HG22 ILE A 27 -1.021 -20.144 0.311 1.00 13.10 H new ATOM 0 HG23 ILE A 27 0.603 -20.027 1.031 1.00 13.10 H new ATOM 0 HD11 ILE A 27 1.957 -21.244 4.262 1.00 62.21 H new ATOM 0 HD12 ILE A 27 1.860 -20.576 2.615 1.00 62.21 H new ATOM 0 HD13 ILE A 27 1.146 -19.686 3.980 1.00 62.21 H new ATOM 452 N GLY A 28 -3.387 -18.810 1.845 1.00 51.14 N ATOM 453 CA GLY A 28 -4.274 -18.149 0.911 1.00 11.22 C ATOM 454 C GLY A 28 -4.404 -16.665 1.189 1.00 20.23 C ATOM 455 O GLY A 28 -4.515 -15.863 0.261 1.00 51.24 O ATOM 0 H GLY A 28 -3.838 -19.495 2.451 1.00 51.14 H new ATOM 0 HA2 GLY A 28 -3.903 -18.295 -0.103 1.00 11.22 H new ATOM 0 HA3 GLY A 28 -5.259 -18.613 0.960 1.00 11.22 H new ATOM 459 N THR A 29 -4.372 -16.299 2.464 1.00 61.11 N ATOM 460 CA THR A 29 -4.489 -14.906 2.870 1.00 0.42 C ATOM 461 C THR A 29 -3.182 -14.153 2.617 1.00 61.43 C ATOM 462 O THR A 29 -3.186 -13.049 2.070 1.00 3.22 O ATOM 463 CB THR A 29 -4.876 -14.799 4.355 1.00 53.13 C ATOM 464 OG1 THR A 29 -6.059 -15.576 4.604 1.00 22.31 O ATOM 465 CG2 THR A 29 -5.123 -13.351 4.751 1.00 42.14 C ATOM 0 H THR A 29 -4.265 -16.953 3.239 1.00 61.11 H new ATOM 0 HA THR A 29 -5.277 -14.451 2.270 1.00 0.42 H new ATOM 0 HB THR A 29 -4.050 -15.183 4.953 1.00 53.13 H new ATOM 0 HG1 THR A 29 -6.302 -15.507 5.551 1.00 22.31 H new ATOM 0 HG21 THR A 29 -5.395 -13.303 5.805 1.00 42.14 H new ATOM 0 HG22 THR A 29 -4.217 -12.768 4.583 1.00 42.14 H new ATOM 0 HG23 THR A 29 -5.934 -12.942 4.148 1.00 42.14 H new ATOM 473 N PHE A 30 -2.068 -14.757 3.013 1.00 34.21 N ATOM 474 CA PHE A 30 -0.751 -14.186 2.755 1.00 33.33 C ATOM 475 C PHE A 30 -0.555 -13.985 1.252 1.00 3.11 C ATOM 476 O PHE A 30 -0.178 -12.899 0.802 1.00 44.43 O ATOM 477 CB PHE A 30 0.338 -15.116 3.312 1.00 21.52 C ATOM 478 CG PHE A 30 1.652 -14.441 3.616 1.00 54.24 C ATOM 479 CD1 PHE A 30 2.022 -13.265 2.981 1.00 21.13 C ATOM 480 CD2 PHE A 30 2.516 -14.990 4.550 1.00 11.03 C ATOM 481 CE1 PHE A 30 3.227 -12.653 3.270 1.00 24.23 C ATOM 482 CE2 PHE A 30 3.722 -14.382 4.842 1.00 52.32 C ATOM 483 CZ PHE A 30 4.077 -13.213 4.201 1.00 53.24 C ATOM 0 H PHE A 30 -2.050 -15.645 3.515 1.00 34.21 H new ATOM 0 HA PHE A 30 -0.677 -13.218 3.251 1.00 33.33 H new ATOM 0 HB2 PHE A 30 -0.034 -15.583 4.224 1.00 21.52 H new ATOM 0 HB3 PHE A 30 0.515 -15.917 2.594 1.00 21.52 H new ATOM 0 HD1 PHE A 30 1.360 -12.822 2.252 1.00 21.13 H new ATOM 0 HD2 PHE A 30 2.243 -15.904 5.056 1.00 11.03 H new ATOM 0 HE1 PHE A 30 3.503 -11.738 2.768 1.00 24.23 H new ATOM 0 HE2 PHE A 30 4.386 -14.822 5.571 1.00 52.32 H new ATOM 0 HZ PHE A 30 5.019 -12.737 4.428 1.00 53.24 H new ATOM 493 N ARG A 31 -0.845 -15.029 0.478 1.00 4.24 N ATOM 494 CA ARG A 31 -0.670 -14.996 -0.970 1.00 12.40 C ATOM 495 C ARG A 31 -1.652 -14.030 -1.630 1.00 23.02 C ATOM 496 O ARG A 31 -1.412 -13.549 -2.738 1.00 62.12 O ATOM 497 CB ARG A 31 -0.844 -16.399 -1.556 1.00 72.33 C ATOM 498 CG ARG A 31 -0.178 -16.581 -2.904 1.00 22.44 C ATOM 499 CD ARG A 31 -0.362 -17.994 -3.435 1.00 21.14 C ATOM 500 NE ARG A 31 0.125 -18.128 -4.806 1.00 22.11 N ATOM 501 CZ ARG A 31 0.358 -19.296 -5.409 1.00 14.20 C ATOM 502 NH1 ARG A 31 0.208 -20.436 -4.747 1.00 60.33 N ATOM 503 NH2 ARG A 31 0.760 -19.331 -6.670 1.00 51.30 N ATOM 0 H ARG A 31 -1.205 -15.914 0.835 1.00 4.24 H new ATOM 0 HA ARG A 31 0.340 -14.642 -1.175 1.00 12.40 H new ATOM 0 HB2 ARG A 31 -0.435 -17.129 -0.857 1.00 72.33 H new ATOM 0 HB3 ARG A 31 -1.908 -16.613 -1.654 1.00 72.33 H new ATOM 0 HG2 ARG A 31 -0.595 -15.868 -3.615 1.00 22.44 H new ATOM 0 HG3 ARG A 31 0.886 -16.360 -2.817 1.00 22.44 H new ATOM 0 HD2 ARG A 31 0.168 -18.696 -2.791 1.00 21.14 H new ATOM 0 HD3 ARG A 31 -1.418 -18.262 -3.397 1.00 21.14 H new ATOM 0 HE ARG A 31 0.298 -17.274 -5.337 1.00 22.11 H new ATOM 0 HH11 ARG A 31 -0.087 -20.424 -3.771 1.00 60.33 H new ATOM 0 HH12 ARG A 31 0.388 -21.325 -5.214 1.00 60.33 H new ATOM 0 HH21 ARG A 31 0.894 -18.462 -7.187 1.00 51.30 H new ATOM 0 HH22 ARG A 31 0.936 -20.227 -7.124 1.00 51.30 H new ATOM 517 N HIS A 32 -2.741 -13.734 -0.927 1.00 73.10 N ATOM 518 CA HIS A 32 -3.778 -12.837 -1.434 1.00 45.23 C ATOM 519 C HIS A 32 -3.209 -11.449 -1.727 1.00 31.32 C ATOM 520 O HIS A 32 -3.764 -10.698 -2.527 1.00 4.44 O ATOM 521 CB HIS A 32 -4.929 -12.740 -0.422 1.00 13.34 C ATOM 522 CG HIS A 32 -6.116 -11.964 -0.905 1.00 3.40 C ATOM 523 ND1 HIS A 32 -6.794 -11.059 -0.118 1.00 15.51 N ATOM 524 CD2 HIS A 32 -6.756 -11.978 -2.095 1.00 75.15 C ATOM 525 CE1 HIS A 32 -7.801 -10.551 -0.804 1.00 3.01 C ATOM 526 NE2 HIS A 32 -7.802 -11.092 -2.008 1.00 25.14 N ATOM 0 H HIS A 32 -2.930 -14.105 0.004 1.00 73.10 H new ATOM 0 HA HIS A 32 -4.159 -13.248 -2.369 1.00 45.23 H new ATOM 0 HB2 HIS A 32 -5.252 -13.748 -0.160 1.00 13.34 H new ATOM 0 HB3 HIS A 32 -4.555 -12.277 0.491 1.00 13.34 H new ATOM 0 HD2 HIS A 32 -6.494 -12.575 -2.956 1.00 75.15 H new ATOM 0 HE1 HIS A 32 -8.505 -9.817 -0.441 1.00 3.01 H new ATOM 0 HE2 HIS A 32 -8.469 -10.886 -2.751 1.00 25.14 H new ATOM 535 N HIS A 33 -2.099 -11.118 -1.078 1.00 22.32 N ATOM 536 CA HIS A 33 -1.428 -9.844 -1.316 1.00 21.11 C ATOM 537 C HIS A 33 0.074 -10.054 -1.523 1.00 73.43 C ATOM 538 O HIS A 33 0.899 -9.271 -1.050 1.00 71.43 O ATOM 539 CB HIS A 33 -1.699 -8.848 -0.173 1.00 15.13 C ATOM 540 CG HIS A 33 -1.367 -9.343 1.208 1.00 4.04 C ATOM 541 ND1 HIS A 33 -0.091 -9.345 1.722 1.00 73.21 N ATOM 542 CD2 HIS A 33 -2.167 -9.818 2.192 1.00 52.40 C ATOM 543 CE1 HIS A 33 -0.121 -9.798 2.963 1.00 62.21 C ATOM 544 NE2 HIS A 33 -1.370 -10.091 3.276 1.00 43.24 N ATOM 0 H HIS A 33 -1.645 -11.712 -0.384 1.00 22.32 H new ATOM 0 HA HIS A 33 -1.838 -9.413 -2.229 1.00 21.11 H new ATOM 0 HB2 HIS A 33 -1.127 -7.940 -0.362 1.00 15.13 H new ATOM 0 HB3 HIS A 33 -2.753 -8.571 -0.198 1.00 15.13 H new ATOM 0 HD1 HIS A 33 0.747 -9.044 1.224 1.00 73.21 H new ATOM 0 HD2 HIS A 33 -3.237 -9.957 2.135 1.00 52.40 H new ATOM 0 HE1 HIS A 33 0.734 -9.910 3.613 1.00 62.21 H new ATOM 553 N LYS A 34 0.416 -11.119 -2.242 1.00 52.22 N ATOM 554 CA LYS A 34 1.802 -11.410 -2.590 1.00 71.01 C ATOM 555 C LYS A 34 2.165 -10.820 -3.954 1.00 1.24 C ATOM 556 O LYS A 34 2.906 -9.836 -4.047 1.00 72.31 O ATOM 557 CB LYS A 34 2.026 -12.924 -2.629 1.00 1.51 C ATOM 558 CG LYS A 34 2.299 -13.573 -1.279 1.00 62.21 C ATOM 559 CD LYS A 34 3.756 -13.434 -0.860 1.00 55.23 C ATOM 560 CE LYS A 34 4.075 -14.353 0.308 1.00 44.13 C ATOM 561 NZ LYS A 34 5.508 -14.299 0.699 1.00 2.44 N ATOM 0 H LYS A 34 -0.255 -11.800 -2.597 1.00 52.22 H new ATOM 0 HA LYS A 34 2.438 -10.957 -1.829 1.00 71.01 H new ATOM 0 HB2 LYS A 34 1.147 -13.394 -3.069 1.00 1.51 H new ATOM 0 HB3 LYS A 34 2.865 -13.134 -3.292 1.00 1.51 H new ATOM 0 HG2 LYS A 34 1.660 -13.118 -0.523 1.00 62.21 H new ATOM 0 HG3 LYS A 34 2.035 -14.630 -1.325 1.00 62.21 H new ATOM 0 HD2 LYS A 34 4.405 -13.672 -1.703 1.00 55.23 H new ATOM 0 HD3 LYS A 34 3.961 -12.400 -0.581 1.00 55.23 H new ATOM 0 HE2 LYS A 34 3.458 -14.077 1.163 1.00 44.13 H new ATOM 0 HE3 LYS A 34 3.812 -15.377 0.043 1.00 44.13 H new ATOM 0 HZ1 LYS A 34 5.674 -14.943 1.499 1.00 2.44 H new ATOM 0 HZ2 LYS A 34 6.099 -14.588 -0.107 1.00 2.44 H new ATOM 0 HZ3 LYS A 34 5.755 -13.328 0.979 1.00 2.44 H new ATOM 575 N SER A 35 1.613 -11.416 -5.006 1.00 13.34 N ATOM 576 CA SER A 35 1.989 -11.092 -6.376 1.00 74.43 C ATOM 577 C SER A 35 1.471 -9.720 -6.806 1.00 75.42 C ATOM 578 O SER A 35 1.999 -9.120 -7.743 1.00 12.25 O ATOM 579 CB SER A 35 1.451 -12.173 -7.311 1.00 10.32 C ATOM 580 OG SER A 35 1.750 -13.463 -6.802 1.00 41.44 O ATOM 0 H SER A 35 0.894 -12.136 -4.932 1.00 13.34 H new ATOM 0 HA SER A 35 3.077 -11.055 -6.429 1.00 74.43 H new ATOM 0 HB2 SER A 35 0.373 -12.061 -7.424 1.00 10.32 H new ATOM 0 HB3 SER A 35 1.889 -12.056 -8.302 1.00 10.32 H new ATOM 0 HG SER A 35 1.397 -14.145 -7.411 1.00 41.44 H new ATOM 586 N CYS A 36 0.452 -9.226 -6.112 1.00 15.32 N ATOM 587 CA CYS A 36 -0.156 -7.941 -6.436 1.00 10.41 C ATOM 588 C CYS A 36 0.886 -6.826 -6.481 1.00 70.32 C ATOM 589 O CYS A 36 1.069 -6.178 -7.507 1.00 71.14 O ATOM 590 CB CYS A 36 -1.235 -7.605 -5.410 1.00 10.31 C ATOM 591 SG CYS A 36 -2.566 -8.826 -5.320 1.00 3.40 S ATOM 0 H CYS A 36 0.027 -9.700 -5.315 1.00 15.32 H new ATOM 0 HA CYS A 36 -0.605 -8.020 -7.426 1.00 10.41 H new ATOM 0 HB2 CYS A 36 -0.772 -7.513 -4.427 1.00 10.31 H new ATOM 0 HB3 CYS A 36 -1.663 -6.632 -5.653 1.00 10.31 H new ATOM 0 HG CYS A 36 -3.432 -8.459 -4.423 1.00 3.40 H new ATOM 597 N MET A 37 1.584 -6.628 -5.373 1.00 11.15 N ATOM 598 CA MET A 37 2.596 -5.579 -5.280 1.00 32.23 C ATOM 599 C MET A 37 3.787 -5.887 -6.185 1.00 32.34 C ATOM 600 O MET A 37 4.506 -4.987 -6.612 1.00 42.13 O ATOM 601 CB MET A 37 3.083 -5.431 -3.837 1.00 13.45 C ATOM 602 CG MET A 37 1.976 -5.171 -2.827 1.00 43.54 C ATOM 603 SD MET A 37 2.608 -5.007 -1.145 1.00 42.35 S ATOM 604 CE MET A 37 3.462 -3.436 -1.257 1.00 42.35 C ATOM 0 H MET A 37 1.470 -7.180 -4.523 1.00 11.15 H new ATOM 0 HA MET A 37 2.137 -4.646 -5.605 1.00 32.23 H new ATOM 0 HB2 MET A 37 3.615 -6.338 -3.550 1.00 13.45 H new ATOM 0 HB3 MET A 37 3.801 -4.612 -3.790 1.00 13.45 H new ATOM 0 HG2 MET A 37 1.442 -4.261 -3.102 1.00 43.54 H new ATOM 0 HG3 MET A 37 1.255 -5.987 -2.864 1.00 43.54 H new ATOM 0 HE1 MET A 37 3.923 -3.203 -0.297 1.00 42.35 H new ATOM 0 HE2 MET A 37 4.233 -3.495 -2.025 1.00 42.35 H new ATOM 0 HE3 MET A 37 2.750 -2.653 -1.517 1.00 42.35 H new ATOM 614 N ARG A 38 3.988 -7.168 -6.462 1.00 54.14 N ATOM 615 CA ARG A 38 5.155 -7.629 -7.207 1.00 53.33 C ATOM 616 C ARG A 38 5.094 -7.187 -8.671 1.00 42.24 C ATOM 617 O ARG A 38 6.087 -6.724 -9.232 1.00 61.40 O ATOM 618 CB ARG A 38 5.239 -9.156 -7.123 1.00 2.25 C ATOM 619 CG ARG A 38 6.655 -9.713 -7.033 1.00 74.21 C ATOM 620 CD ARG A 38 7.427 -9.538 -8.330 1.00 51.22 C ATOM 621 NE ARG A 38 8.789 -10.058 -8.230 1.00 62.33 N ATOM 622 CZ ARG A 38 9.647 -10.106 -9.246 1.00 22.30 C ATOM 623 NH1 ARG A 38 9.292 -9.676 -10.449 1.00 12.21 N ATOM 624 NH2 ARG A 38 10.868 -10.587 -9.059 1.00 73.43 N ATOM 0 H ARG A 38 3.352 -7.914 -6.179 1.00 54.14 H new ATOM 0 HA ARG A 38 6.045 -7.184 -6.763 1.00 53.33 H new ATOM 0 HB2 ARG A 38 4.676 -9.490 -6.251 1.00 2.25 H new ATOM 0 HB3 ARG A 38 4.751 -9.582 -8.000 1.00 2.25 H new ATOM 0 HG2 ARG A 38 7.189 -9.213 -6.225 1.00 74.21 H new ATOM 0 HG3 ARG A 38 6.611 -10.772 -6.779 1.00 74.21 H new ATOM 0 HD2 ARG A 38 6.902 -10.050 -9.137 1.00 51.22 H new ATOM 0 HD3 ARG A 38 7.461 -8.481 -8.592 1.00 51.22 H new ATOM 0 HE ARG A 38 9.102 -10.406 -7.324 1.00 62.33 H new ATOM 0 HH11 ARG A 38 8.354 -9.304 -10.602 1.00 12.21 H new ATOM 0 HH12 ARG A 38 9.957 -9.717 -11.222 1.00 12.21 H new ATOM 0 HH21 ARG A 38 11.149 -10.920 -8.137 1.00 73.43 H new ATOM 0 HH22 ARG A 38 11.526 -10.624 -9.837 1.00 73.43 H new ATOM 638 N LYS A 39 3.924 -7.323 -9.281 1.00 13.25 N ATOM 639 CA LYS A 39 3.768 -7.025 -10.704 1.00 14.04 C ATOM 640 C LYS A 39 3.593 -5.524 -10.953 1.00 74.12 C ATOM 641 O LYS A 39 3.692 -5.060 -12.088 1.00 20.43 O ATOM 642 CB LYS A 39 2.571 -7.781 -11.285 1.00 24.03 C ATOM 643 CG LYS A 39 1.231 -7.277 -10.781 1.00 73.25 C ATOM 644 CD LYS A 39 0.090 -7.795 -11.636 1.00 24.05 C ATOM 645 CE LYS A 39 -1.212 -7.089 -11.306 1.00 35.42 C ATOM 646 NZ LYS A 39 -2.266 -7.376 -12.314 1.00 30.43 N ATOM 0 H LYS A 39 3.071 -7.636 -8.818 1.00 13.25 H new ATOM 0 HA LYS A 39 4.681 -7.351 -11.202 1.00 14.04 H new ATOM 0 HB2 LYS A 39 2.594 -7.701 -12.372 1.00 24.03 H new ATOM 0 HB3 LYS A 39 2.667 -8.839 -11.041 1.00 24.03 H new ATOM 0 HG2 LYS A 39 1.087 -7.593 -9.748 1.00 73.25 H new ATOM 0 HG3 LYS A 39 1.225 -6.187 -10.785 1.00 73.25 H new ATOM 0 HD2 LYS A 39 0.328 -7.650 -12.690 1.00 24.05 H new ATOM 0 HD3 LYS A 39 -0.026 -8.868 -11.480 1.00 24.05 H new ATOM 0 HE2 LYS A 39 -1.556 -7.403 -10.321 1.00 35.42 H new ATOM 0 HE3 LYS A 39 -1.040 -6.014 -11.256 1.00 35.42 H new ATOM 0 HZ1 LYS A 39 -3.140 -6.876 -12.054 1.00 30.43 H new ATOM 0 HZ2 LYS A 39 -1.948 -7.054 -13.250 1.00 30.43 H new ATOM 0 HZ3 LYS A 39 -2.448 -8.399 -12.344 1.00 30.43 H new ATOM 660 N PHE A 40 3.336 -4.773 -9.891 1.00 64.55 N ATOM 661 CA PHE A 40 3.080 -3.344 -9.996 1.00 0.35 C ATOM 662 C PHE A 40 4.370 -2.535 -10.107 1.00 53.22 C ATOM 663 O PHE A 40 4.343 -1.303 -10.138 1.00 51.22 O ATOM 664 CB PHE A 40 2.270 -2.881 -8.789 1.00 11.02 C ATOM 665 CG PHE A 40 0.793 -2.791 -9.048 1.00 34.13 C ATOM 666 CD1 PHE A 40 0.021 -3.935 -9.157 1.00 50.23 C ATOM 667 CD2 PHE A 40 0.176 -1.559 -9.174 1.00 50.24 C ATOM 668 CE1 PHE A 40 -1.339 -3.853 -9.387 1.00 72.14 C ATOM 669 CE2 PHE A 40 -1.183 -1.469 -9.406 1.00 13.13 C ATOM 670 CZ PHE A 40 -1.941 -2.618 -9.513 1.00 51.43 C ATOM 0 H PHE A 40 3.299 -5.135 -8.938 1.00 64.55 H new ATOM 0 HA PHE A 40 2.513 -3.172 -10.911 1.00 0.35 H new ATOM 0 HB2 PHE A 40 2.443 -3.569 -7.962 1.00 11.02 H new ATOM 0 HB3 PHE A 40 2.634 -1.904 -8.472 1.00 11.02 H new ATOM 0 HD1 PHE A 40 0.488 -4.904 -9.061 1.00 50.23 H new ATOM 0 HD2 PHE A 40 0.764 -0.657 -9.090 1.00 50.24 H new ATOM 0 HE1 PHE A 40 -1.929 -4.754 -9.468 1.00 72.14 H new ATOM 0 HE2 PHE A 40 -1.652 -0.501 -9.504 1.00 13.13 H new ATOM 0 HZ PHE A 40 -3.003 -2.550 -9.695 1.00 51.43 H new ATOM 680 N LYS A 41 5.497 -3.227 -10.178 1.00 75.11 N ATOM 681 CA LYS A 41 6.780 -2.566 -10.253 1.00 22.13 C ATOM 682 C LYS A 41 7.140 -2.293 -11.701 1.00 53.22 C ATOM 683 O LYS A 41 7.661 -3.156 -12.410 1.00 74.41 O ATOM 684 CB LYS A 41 7.884 -3.391 -9.564 1.00 1.11 C ATOM 685 CG LYS A 41 9.196 -2.629 -9.338 1.00 2.51 C ATOM 686 CD LYS A 41 9.972 -2.418 -10.632 1.00 41.44 C ATOM 687 CE LYS A 41 11.113 -1.431 -10.462 1.00 11.04 C ATOM 688 NZ LYS A 41 11.771 -1.124 -11.763 1.00 12.35 N ATOM 0 H LYS A 41 5.544 -4.246 -10.185 1.00 75.11 H new ATOM 0 HA LYS A 41 6.703 -1.618 -9.721 1.00 22.13 H new ATOM 0 HB2 LYS A 41 7.511 -3.742 -8.602 1.00 1.11 H new ATOM 0 HB3 LYS A 41 8.091 -4.275 -10.168 1.00 1.11 H new ATOM 0 HG2 LYS A 41 8.978 -1.662 -8.886 1.00 2.51 H new ATOM 0 HG3 LYS A 41 9.816 -3.180 -8.631 1.00 2.51 H new ATOM 0 HD2 LYS A 41 10.368 -3.373 -10.976 1.00 41.44 H new ATOM 0 HD3 LYS A 41 9.294 -2.057 -11.406 1.00 41.44 H new ATOM 0 HE2 LYS A 41 10.735 -0.510 -10.019 1.00 11.04 H new ATOM 0 HE3 LYS A 41 11.848 -1.840 -9.769 1.00 11.04 H new ATOM 0 HZ1 LYS A 41 12.567 -0.473 -11.605 1.00 12.35 H new ATOM 0 HZ2 LYS A 41 12.123 -2.004 -12.190 1.00 12.35 H new ATOM 0 HZ3 LYS A 41 11.083 -0.680 -12.404 1.00 12.35 H new ATOM 702 N GLU A 42 6.796 -1.107 -12.141 1.00 32.12 N ATOM 703 CA GLU A 42 7.341 -0.554 -13.361 1.00 75.25 C ATOM 704 C GLU A 42 8.489 0.379 -13.002 1.00 11.13 C ATOM 705 O GLU A 42 9.652 0.105 -13.305 1.00 22.03 O ATOM 706 CB GLU A 42 6.270 0.200 -14.149 1.00 2.11 C ATOM 707 CG GLU A 42 5.221 -0.702 -14.778 1.00 5.12 C ATOM 708 CD GLU A 42 5.817 -1.703 -15.751 1.00 23.12 C ATOM 709 OE1 GLU A 42 6.941 -1.471 -16.248 1.00 63.03 O ATOM 710 OE2 GLU A 42 5.169 -2.734 -16.019 1.00 2.14 O ATOM 0 H GLU A 42 6.131 -0.497 -11.665 1.00 32.12 H new ATOM 0 HA GLU A 42 7.703 -1.365 -13.993 1.00 75.25 H new ATOM 0 HB2 GLU A 42 5.775 0.909 -13.485 1.00 2.11 H new ATOM 0 HB3 GLU A 42 6.752 0.782 -14.934 1.00 2.11 H new ATOM 0 HG2 GLU A 42 4.690 -1.238 -13.992 1.00 5.12 H new ATOM 0 HG3 GLU A 42 4.485 -0.089 -15.299 1.00 5.12 H new ATOM 717 N TYR A 43 8.153 1.459 -12.309 1.00 31.30 N ATOM 718 CA TYR A 43 9.143 2.429 -11.863 1.00 21.31 C ATOM 719 C TYR A 43 8.857 2.884 -10.440 1.00 43.35 C ATOM 720 O TYR A 43 7.854 3.552 -10.179 1.00 62.55 O ATOM 721 CB TYR A 43 9.179 3.649 -12.789 1.00 45.33 C ATOM 722 CG TYR A 43 9.790 3.372 -14.143 1.00 74.11 C ATOM 723 CD1 TYR A 43 11.142 3.075 -14.268 1.00 22.31 C ATOM 724 CD2 TYR A 43 9.017 3.413 -15.295 1.00 22.33 C ATOM 725 CE1 TYR A 43 11.705 2.822 -15.502 1.00 24.31 C ATOM 726 CE2 TYR A 43 9.575 3.160 -16.534 1.00 51.40 C ATOM 727 CZ TYR A 43 10.918 2.866 -16.631 1.00 43.53 C ATOM 728 OH TYR A 43 11.476 2.614 -17.864 1.00 71.03 O ATOM 0 H TYR A 43 7.195 1.686 -12.042 1.00 31.30 H new ATOM 0 HA TYR A 43 10.114 1.935 -11.891 1.00 21.31 H new ATOM 0 HB2 TYR A 43 8.163 4.017 -12.928 1.00 45.33 H new ATOM 0 HB3 TYR A 43 9.743 4.445 -12.303 1.00 45.33 H new ATOM 0 HD1 TYR A 43 11.762 3.042 -13.384 1.00 22.31 H new ATOM 0 HD2 TYR A 43 7.965 3.646 -15.222 1.00 22.33 H new ATOM 0 HE1 TYR A 43 12.757 2.591 -15.582 1.00 24.31 H new ATOM 0 HE2 TYR A 43 8.961 3.193 -17.422 1.00 51.40 H new ATOM 0 HH TYR A 43 10.786 2.684 -18.556 1.00 71.03 H new ATOM 738 N CYS A 44 9.732 2.513 -9.521 1.00 73.31 N ATOM 739 CA CYS A 44 9.658 3.008 -8.161 1.00 11.44 C ATOM 740 C CYS A 44 10.510 4.265 -8.038 1.00 40.20 C ATOM 741 O CYS A 44 11.654 4.224 -7.573 1.00 2.41 O ATOM 742 CB CYS A 44 10.099 1.929 -7.169 1.00 61.33 C ATOM 743 SG CYS A 44 11.491 0.928 -7.741 1.00 54.30 S ATOM 0 H CYS A 44 10.503 1.869 -9.695 1.00 73.31 H new ATOM 0 HA CYS A 44 8.626 3.262 -7.920 1.00 11.44 H new ATOM 0 HB2 CYS A 44 10.370 2.405 -6.227 1.00 61.33 H new ATOM 0 HB3 CYS A 44 9.254 1.273 -6.962 1.00 61.33 H new ATOM 0 HG CYS A 44 12.238 0.605 -6.728 1.00 54.30 H new ATOM 749 N GLU A 45 9.941 5.373 -8.497 1.00 3.11 N ATOM 750 CA GLU A 45 10.653 6.637 -8.610 1.00 53.52 C ATOM 751 C GLU A 45 10.940 7.232 -7.230 1.00 22.13 C ATOM 752 O GLU A 45 10.569 6.657 -6.202 1.00 54.42 O ATOM 753 CB GLU A 45 9.817 7.603 -9.458 1.00 35.12 C ATOM 754 CG GLU A 45 10.641 8.508 -10.360 1.00 22.41 C ATOM 755 CD GLU A 45 9.789 9.275 -11.355 1.00 54.14 C ATOM 756 OE1 GLU A 45 9.173 8.632 -12.233 1.00 43.34 O ATOM 757 OE2 GLU A 45 9.752 10.521 -11.282 1.00 71.45 O ATOM 0 H GLU A 45 8.969 5.419 -8.802 1.00 3.11 H new ATOM 0 HA GLU A 45 11.614 6.466 -9.094 1.00 53.52 H new ATOM 0 HB2 GLU A 45 9.127 7.026 -10.073 1.00 35.12 H new ATOM 0 HB3 GLU A 45 9.212 8.222 -8.795 1.00 35.12 H new ATOM 0 HG2 GLU A 45 11.200 9.214 -9.746 1.00 22.41 H new ATOM 0 HG3 GLU A 45 11.372 7.907 -10.901 1.00 22.41 H new ATOM 764 N GLY A 46 11.609 8.377 -7.215 1.00 63.24 N ATOM 765 CA GLY A 46 11.951 9.037 -5.977 1.00 63.40 C ATOM 766 C GLY A 46 10.756 9.703 -5.338 1.00 74.22 C ATOM 767 O GLY A 46 10.503 10.891 -5.546 1.00 31.41 O ATOM 0 H GLY A 46 11.924 8.864 -8.054 1.00 63.24 H new ATOM 0 HA2 GLY A 46 12.373 8.310 -5.284 1.00 63.40 H new ATOM 0 HA3 GLY A 46 12.723 9.783 -6.166 1.00 63.40 H new ATOM 771 N LEU A 47 10.013 8.925 -4.583 1.00 12.31 N ATOM 772 CA LEU A 47 8.845 9.418 -3.877 1.00 51.33 C ATOM 773 C LEU A 47 9.249 10.020 -2.530 1.00 70.14 C ATOM 774 O LEU A 47 9.656 9.303 -1.614 1.00 10.14 O ATOM 775 CB LEU A 47 7.841 8.268 -3.696 1.00 12.03 C ATOM 776 CG LEU A 47 6.464 8.646 -3.139 1.00 62.22 C ATOM 777 CD1 LEU A 47 5.407 7.702 -3.687 1.00 2.03 C ATOM 778 CD2 LEU A 47 6.459 8.591 -1.619 1.00 2.24 C ATOM 0 H LEU A 47 10.199 7.932 -4.439 1.00 12.31 H new ATOM 0 HA LEU A 47 8.372 10.208 -4.460 1.00 51.33 H new ATOM 0 HB2 LEU A 47 7.698 7.785 -4.662 1.00 12.03 H new ATOM 0 HB3 LEU A 47 8.286 7.527 -3.032 1.00 12.03 H new ATOM 0 HG LEU A 47 6.239 9.666 -3.450 1.00 62.22 H new ATOM 0 HD11 LEU A 47 4.431 7.977 -3.287 1.00 2.03 H new ATOM 0 HD12 LEU A 47 5.386 7.771 -4.775 1.00 2.03 H new ATOM 0 HD13 LEU A 47 5.645 6.680 -3.393 1.00 2.03 H new ATOM 0 HD21 LEU A 47 5.471 8.863 -1.248 1.00 2.24 H new ATOM 0 HD22 LEU A 47 6.704 7.581 -1.291 1.00 2.24 H new ATOM 0 HD23 LEU A 47 7.199 9.289 -1.227 1.00 2.24 H new ATOM 790 N GLN A 48 9.165 11.343 -2.428 1.00 44.14 N ATOM 791 CA GLN A 48 9.439 12.033 -1.175 1.00 2.22 C ATOM 792 C GLN A 48 8.213 12.005 -0.269 1.00 0.43 C ATOM 793 O GLN A 48 7.147 11.537 -0.664 1.00 61.21 O ATOM 794 CB GLN A 48 9.851 13.489 -1.411 1.00 4.51 C ATOM 795 CG GLN A 48 11.297 13.688 -1.851 1.00 33.12 C ATOM 796 CD GLN A 48 11.568 13.190 -3.254 1.00 73.41 C ATOM 797 OE1 GLN A 48 11.388 13.920 -4.227 1.00 22.30 O ATOM 798 NE2 GLN A 48 12.036 11.960 -3.368 1.00 62.53 N ATOM 0 H GLN A 48 8.909 11.958 -3.200 1.00 44.14 H new ATOM 0 HA GLN A 48 10.265 11.509 -0.695 1.00 2.22 H new ATOM 0 HB2 GLN A 48 9.195 13.918 -2.168 1.00 4.51 H new ATOM 0 HB3 GLN A 48 9.687 14.051 -0.491 1.00 4.51 H new ATOM 0 HG2 GLN A 48 11.544 14.748 -1.795 1.00 33.12 H new ATOM 0 HG3 GLN A 48 11.956 13.170 -1.155 1.00 33.12 H new ATOM 0 HE21 GLN A 48 12.171 11.387 -2.535 1.00 62.53 H new ATOM 0 HE22 GLN A 48 12.262 11.584 -4.289 1.00 62.53 H new ATOM 807 N PHE A 49 8.366 12.549 0.931 1.00 63.44 N ATOM 808 CA PHE A 49 7.299 12.544 1.930 1.00 12.21 C ATOM 809 C PHE A 49 6.040 13.247 1.421 1.00 4.15 C ATOM 810 O PHE A 49 4.923 12.783 1.645 1.00 41.04 O ATOM 811 CB PHE A 49 7.789 13.202 3.228 1.00 43.12 C ATOM 812 CG PHE A 49 8.166 14.657 3.094 1.00 23.03 C ATOM 813 CD1 PHE A 49 9.383 15.025 2.539 1.00 3.13 C ATOM 814 CD2 PHE A 49 7.309 15.653 3.536 1.00 5.44 C ATOM 815 CE1 PHE A 49 9.736 16.356 2.427 1.00 22.31 C ATOM 816 CE2 PHE A 49 7.658 16.986 3.425 1.00 33.41 C ATOM 817 CZ PHE A 49 8.871 17.338 2.869 1.00 63.30 C ATOM 0 H PHE A 49 9.225 13.003 1.240 1.00 63.44 H new ATOM 0 HA PHE A 49 7.036 11.505 2.129 1.00 12.21 H new ATOM 0 HB2 PHE A 49 7.008 13.111 3.983 1.00 43.12 H new ATOM 0 HB3 PHE A 49 8.653 12.649 3.596 1.00 43.12 H new ATOM 0 HD1 PHE A 49 10.063 14.262 2.190 1.00 3.13 H new ATOM 0 HD2 PHE A 49 6.358 15.385 3.972 1.00 5.44 H new ATOM 0 HE1 PHE A 49 10.687 16.628 1.994 1.00 22.31 H new ATOM 0 HE2 PHE A 49 6.981 17.752 3.773 1.00 33.41 H new ATOM 0 HZ PHE A 49 9.143 18.379 2.780 1.00 63.30 H new ATOM 827 N HIS A 50 6.224 14.358 0.720 1.00 55.32 N ATOM 828 CA HIS A 50 5.093 15.139 0.228 1.00 35.43 C ATOM 829 C HIS A 50 4.684 14.680 -1.175 1.00 15.33 C ATOM 830 O HIS A 50 3.852 15.303 -1.828 1.00 60.33 O ATOM 831 CB HIS A 50 5.423 16.641 0.248 1.00 22.05 C ATOM 832 CG HIS A 50 4.243 17.531 -0.038 1.00 55.21 C ATOM 833 ND1 HIS A 50 3.209 17.725 0.856 1.00 72.24 N ATOM 834 CD2 HIS A 50 3.933 18.271 -1.132 1.00 13.51 C ATOM 835 CE1 HIS A 50 2.320 18.542 0.323 1.00 5.55 C ATOM 836 NE2 HIS A 50 2.732 18.887 -0.880 1.00 2.22 N ATOM 0 H HIS A 50 7.139 14.738 0.479 1.00 55.32 H new ATOM 0 HA HIS A 50 4.245 14.972 0.892 1.00 35.43 H new ATOM 0 HB2 HIS A 50 5.832 16.900 1.225 1.00 22.05 H new ATOM 0 HB3 HIS A 50 6.203 16.841 -0.487 1.00 22.05 H new ATOM 0 HD2 HIS A 50 4.521 18.359 -2.033 1.00 13.51 H new ATOM 0 HE1 HIS A 50 1.406 18.873 0.795 1.00 5.55 H new ATOM 0 HE2 HIS A 50 2.239 19.510 -1.520 1.00 2.22 H new ATOM 845 N GLU A 51 5.262 13.579 -1.631 1.00 74.12 N ATOM 846 CA GLU A 51 4.855 12.990 -2.899 1.00 62.33 C ATOM 847 C GLU A 51 3.735 11.989 -2.655 1.00 43.44 C ATOM 848 O GLU A 51 2.922 11.713 -3.538 1.00 30.32 O ATOM 849 CB GLU A 51 6.036 12.316 -3.594 1.00 52.33 C ATOM 850 CG GLU A 51 7.075 13.300 -4.109 1.00 20.32 C ATOM 851 CD GLU A 51 6.573 14.120 -5.280 1.00 14.41 C ATOM 852 OE1 GLU A 51 5.791 15.068 -5.064 1.00 4.32 O ATOM 853 OE2 GLU A 51 6.949 13.813 -6.430 1.00 71.43 O ATOM 0 H GLU A 51 6.008 13.079 -1.148 1.00 74.12 H new ATOM 0 HA GLU A 51 4.494 13.782 -3.555 1.00 62.33 H new ATOM 0 HB2 GLU A 51 6.513 11.627 -2.897 1.00 52.33 H new ATOM 0 HB3 GLU A 51 5.665 11.720 -4.428 1.00 52.33 H new ATOM 0 HG2 GLU A 51 7.367 13.970 -3.300 1.00 20.32 H new ATOM 0 HG3 GLU A 51 7.969 12.754 -4.410 1.00 20.32 H new ATOM 860 N LEU A 52 3.697 11.463 -1.439 1.00 43.11 N ATOM 861 CA LEU A 52 2.633 10.567 -1.019 1.00 24.45 C ATOM 862 C LEU A 52 1.484 11.403 -0.448 1.00 44.23 C ATOM 863 O LEU A 52 1.447 11.694 0.749 1.00 44.21 O ATOM 864 CB LEU A 52 3.170 9.578 0.034 1.00 13.40 C ATOM 865 CG LEU A 52 2.499 8.199 0.081 1.00 64.53 C ATOM 866 CD1 LEU A 52 1.027 8.311 0.422 1.00 1.55 C ATOM 867 CD2 LEU A 52 2.684 7.467 -1.237 1.00 41.11 C ATOM 0 H LEU A 52 4.399 11.645 -0.721 1.00 43.11 H new ATOM 0 HA LEU A 52 2.267 9.990 -1.868 1.00 24.45 H new ATOM 0 HB2 LEU A 52 4.235 9.433 -0.145 1.00 13.40 H new ATOM 0 HB3 LEU A 52 3.072 10.039 1.017 1.00 13.40 H new ATOM 0 HG LEU A 52 2.983 7.624 0.870 1.00 64.53 H new ATOM 0 HD11 LEU A 52 0.583 7.316 0.447 1.00 1.55 H new ATOM 0 HD12 LEU A 52 0.915 8.783 1.398 1.00 1.55 H new ATOM 0 HD13 LEU A 52 0.523 8.914 -0.333 1.00 1.55 H new ATOM 0 HD21 LEU A 52 2.201 6.492 -1.182 1.00 41.11 H new ATOM 0 HD22 LEU A 52 2.236 8.049 -2.042 1.00 41.11 H new ATOM 0 HD23 LEU A 52 3.748 7.334 -1.433 1.00 41.11 H new ATOM 879 N THR A 53 0.573 11.821 -1.316 1.00 61.41 N ATOM 880 CA THR A 53 -0.513 12.707 -0.920 1.00 44.44 C ATOM 881 C THR A 53 -1.869 12.105 -1.263 1.00 53.43 C ATOM 882 O THR A 53 -1.947 11.029 -1.857 1.00 53.11 O ATOM 883 CB THR A 53 -0.402 14.069 -1.632 1.00 33.24 C ATOM 884 OG1 THR A 53 -0.414 13.870 -3.052 1.00 0.53 O ATOM 885 CG2 THR A 53 0.862 14.809 -1.223 1.00 63.13 C ATOM 0 H THR A 53 0.565 11.560 -2.302 1.00 61.41 H new ATOM 0 HA THR A 53 -0.431 12.842 0.159 1.00 44.44 H new ATOM 0 HB THR A 53 -1.256 14.679 -1.337 1.00 33.24 H new ATOM 0 HG1 THR A 53 -0.186 14.710 -3.502 1.00 0.53 H new ATOM 0 HG21 THR A 53 0.908 15.765 -1.744 1.00 63.13 H new ATOM 0 HG22 THR A 53 0.850 14.982 -0.147 1.00 63.13 H new ATOM 0 HG23 THR A 53 1.735 14.211 -1.485 1.00 63.13 H new ATOM 893 N GLU A 54 -2.931 12.812 -0.890 1.00 25.31 N ATOM 894 CA GLU A 54 -4.283 12.429 -1.267 1.00 50.21 C ATOM 895 C GLU A 54 -4.417 12.449 -2.784 1.00 73.45 C ATOM 896 O GLU A 54 -5.085 11.600 -3.373 1.00 4.44 O ATOM 897 CB GLU A 54 -5.306 13.381 -0.636 1.00 72.51 C ATOM 898 CG GLU A 54 -6.739 13.113 -1.069 1.00 0.41 C ATOM 899 CD GLU A 54 -7.724 14.092 -0.468 1.00 24.14 C ATOM 900 OE1 GLU A 54 -7.904 15.192 -1.034 1.00 25.35 O ATOM 901 OE2 GLU A 54 -8.330 13.766 0.572 1.00 44.35 O ATOM 0 H GLU A 54 -2.878 13.658 -0.323 1.00 25.31 H new ATOM 0 HA GLU A 54 -4.479 11.421 -0.901 1.00 50.21 H new ATOM 0 HB2 GLU A 54 -5.243 13.301 0.449 1.00 72.51 H new ATOM 0 HB3 GLU A 54 -5.043 14.406 -0.896 1.00 72.51 H new ATOM 0 HG2 GLU A 54 -6.801 13.163 -2.156 1.00 0.41 H new ATOM 0 HG3 GLU A 54 -7.018 12.100 -0.780 1.00 0.41 H new ATOM 908 N ASP A 55 -3.758 13.423 -3.406 1.00 2.11 N ATOM 909 CA ASP A 55 -3.741 13.532 -4.859 1.00 31.33 C ATOM 910 C ASP A 55 -3.115 12.289 -5.470 1.00 45.01 C ATOM 911 O ASP A 55 -3.639 11.729 -6.432 1.00 63.52 O ATOM 912 CB ASP A 55 -2.967 14.779 -5.301 1.00 13.30 C ATOM 913 CG ASP A 55 -2.878 14.900 -6.811 1.00 71.04 C ATOM 914 OD1 ASP A 55 -3.859 15.357 -7.436 1.00 4.21 O ATOM 915 OD2 ASP A 55 -1.827 14.545 -7.384 1.00 5.03 O ATOM 0 H ASP A 55 -3.228 14.149 -2.924 1.00 2.11 H new ATOM 0 HA ASP A 55 -4.770 13.622 -5.208 1.00 31.33 H new ATOM 0 HB2 ASP A 55 -3.452 15.667 -4.896 1.00 13.30 H new ATOM 0 HB3 ASP A 55 -1.961 14.746 -4.882 1.00 13.30 H new ATOM 920 N PHE A 56 -2.005 11.851 -4.885 1.00 44.53 N ATOM 921 CA PHE A 56 -1.324 10.648 -5.341 1.00 60.33 C ATOM 922 C PHE A 56 -2.248 9.439 -5.241 1.00 65.12 C ATOM 923 O PHE A 56 -2.427 8.711 -6.214 1.00 15.24 O ATOM 924 CB PHE A 56 -0.054 10.407 -4.517 1.00 61.01 C ATOM 925 CG PHE A 56 0.739 9.207 -4.959 1.00 73.43 C ATOM 926 CD1 PHE A 56 1.713 9.329 -5.939 1.00 21.55 C ATOM 927 CD2 PHE A 56 0.516 7.958 -4.394 1.00 11.12 C ATOM 928 CE1 PHE A 56 2.446 8.230 -6.348 1.00 1.14 C ATOM 929 CE2 PHE A 56 1.247 6.858 -4.799 1.00 2.21 C ATOM 930 CZ PHE A 56 2.213 6.994 -5.777 1.00 53.54 C ATOM 0 H PHE A 56 -1.558 12.313 -4.093 1.00 44.53 H new ATOM 0 HA PHE A 56 -1.045 10.789 -6.385 1.00 60.33 H new ATOM 0 HB2 PHE A 56 0.580 11.292 -4.577 1.00 61.01 H new ATOM 0 HB3 PHE A 56 -0.330 10.283 -3.470 1.00 61.01 H new ATOM 0 HD1 PHE A 56 1.901 10.293 -6.388 1.00 21.55 H new ATOM 0 HD2 PHE A 56 -0.238 7.845 -3.629 1.00 11.12 H new ATOM 0 HE1 PHE A 56 3.200 8.338 -7.113 1.00 1.14 H new ATOM 0 HE2 PHE A 56 1.063 5.892 -4.351 1.00 2.21 H new ATOM 0 HZ PHE A 56 2.785 6.135 -6.095 1.00 53.54 H new ATOM 940 N LEU A 57 -2.844 9.245 -4.067 1.00 72.34 N ATOM 941 CA LEU A 57 -3.762 8.134 -3.841 1.00 51.12 C ATOM 942 C LEU A 57 -4.929 8.186 -4.820 1.00 52.13 C ATOM 943 O LEU A 57 -5.322 7.169 -5.388 1.00 34.12 O ATOM 944 CB LEU A 57 -4.293 8.167 -2.403 1.00 54.30 C ATOM 945 CG LEU A 57 -3.425 7.470 -1.346 1.00 44.23 C ATOM 946 CD1 LEU A 57 -3.450 5.965 -1.537 1.00 1.02 C ATOM 947 CD2 LEU A 57 -1.994 7.976 -1.381 1.00 3.03 C ATOM 0 H LEU A 57 -2.706 9.846 -3.255 1.00 72.34 H new ATOM 0 HA LEU A 57 -3.214 7.206 -4.001 1.00 51.12 H new ATOM 0 HB2 LEU A 57 -4.422 9.209 -2.109 1.00 54.30 H new ATOM 0 HB3 LEU A 57 -5.282 7.708 -2.392 1.00 54.30 H new ATOM 0 HG LEU A 57 -3.846 7.709 -0.369 1.00 44.23 H new ATOM 0 HD11 LEU A 57 -2.828 5.491 -0.777 1.00 1.02 H new ATOM 0 HD12 LEU A 57 -4.474 5.604 -1.445 1.00 1.02 H new ATOM 0 HD13 LEU A 57 -3.066 5.717 -2.526 1.00 1.02 H new ATOM 0 HD21 LEU A 57 -1.407 7.461 -0.620 1.00 3.03 H new ATOM 0 HD22 LEU A 57 -1.564 7.782 -2.363 1.00 3.03 H new ATOM 0 HD23 LEU A 57 -1.982 9.048 -1.185 1.00 3.03 H new ATOM 959 N ARG A 58 -5.460 9.384 -5.019 1.00 64.22 N ATOM 960 CA ARG A 58 -6.601 9.593 -5.900 1.00 45.22 C ATOM 961 C ARG A 58 -6.248 9.270 -7.350 1.00 22.33 C ATOM 962 O ARG A 58 -6.960 8.520 -8.020 1.00 43.45 O ATOM 963 CB ARG A 58 -7.081 11.041 -5.791 1.00 71.12 C ATOM 964 CG ARG A 58 -8.327 11.347 -6.603 1.00 1.32 C ATOM 965 CD ARG A 58 -8.751 12.793 -6.422 1.00 53.12 C ATOM 966 NE ARG A 58 -10.001 13.088 -7.112 1.00 73.22 N ATOM 967 CZ ARG A 58 -10.840 14.047 -6.742 1.00 23.44 C ATOM 968 NH1 ARG A 58 -10.544 14.841 -5.720 1.00 11.02 N ATOM 969 NH2 ARG A 58 -11.976 14.225 -7.400 1.00 51.10 N ATOM 0 H ARG A 58 -5.114 10.235 -4.577 1.00 64.22 H new ATOM 0 HA ARG A 58 -7.399 8.919 -5.588 1.00 45.22 H new ATOM 0 HB2 ARG A 58 -7.279 11.268 -4.743 1.00 71.12 H new ATOM 0 HB3 ARG A 58 -6.278 11.703 -6.115 1.00 71.12 H new ATOM 0 HG2 ARG A 58 -8.136 11.149 -7.658 1.00 1.32 H new ATOM 0 HG3 ARG A 58 -9.137 10.685 -6.296 1.00 1.32 H new ATOM 0 HD2 ARG A 58 -8.865 13.007 -5.359 1.00 53.12 H new ATOM 0 HD3 ARG A 58 -7.966 13.450 -6.797 1.00 53.12 H new ATOM 0 HE ARG A 58 -10.245 12.524 -7.926 1.00 73.22 H new ATOM 0 HH11 ARG A 58 -9.667 14.716 -5.214 1.00 11.02 H new ATOM 0 HH12 ARG A 58 -11.193 15.576 -5.441 1.00 11.02 H new ATOM 0 HH21 ARG A 58 -12.206 13.625 -8.192 1.00 51.10 H new ATOM 0 HH22 ARG A 58 -12.620 14.962 -7.115 1.00 51.10 H new ATOM 983 N ASP A 59 -5.142 9.826 -7.823 1.00 51.33 N ATOM 984 CA ASP A 59 -4.728 9.651 -9.212 1.00 72.33 C ATOM 985 C ASP A 59 -4.278 8.220 -9.472 1.00 53.10 C ATOM 986 O ASP A 59 -4.566 7.650 -10.524 1.00 35.01 O ATOM 987 CB ASP A 59 -3.603 10.624 -9.559 1.00 12.12 C ATOM 988 CG ASP A 59 -3.226 10.571 -11.025 1.00 4.13 C ATOM 989 OD1 ASP A 59 -4.012 11.063 -11.862 1.00 15.35 O ATOM 990 OD2 ASP A 59 -2.134 10.062 -11.348 1.00 31.33 O ATOM 0 H ASP A 59 -4.512 10.404 -7.266 1.00 51.33 H new ATOM 0 HA ASP A 59 -5.588 9.861 -9.848 1.00 72.33 H new ATOM 0 HB2 ASP A 59 -3.911 11.638 -9.302 1.00 12.12 H new ATOM 0 HB3 ASP A 59 -2.727 10.394 -8.953 1.00 12.12 H new ATOM 995 N TYR A 60 -3.586 7.641 -8.502 1.00 13.43 N ATOM 996 CA TYR A 60 -3.116 6.267 -8.604 1.00 40.35 C ATOM 997 C TYR A 60 -4.311 5.319 -8.652 1.00 74.11 C ATOM 998 O TYR A 60 -4.301 4.317 -9.370 1.00 54.24 O ATOM 999 CB TYR A 60 -2.209 5.937 -7.411 1.00 51.31 C ATOM 1000 CG TYR A 60 -1.356 4.702 -7.591 1.00 53.33 C ATOM 1001 CD1 TYR A 60 -0.213 4.738 -8.381 1.00 65.43 C ATOM 1002 CD2 TYR A 60 -1.680 3.507 -6.962 1.00 74.00 C ATOM 1003 CE1 TYR A 60 0.578 3.617 -8.541 1.00 34.40 C ATOM 1004 CE2 TYR A 60 -0.892 2.384 -7.115 1.00 53.21 C ATOM 1005 CZ TYR A 60 0.234 2.444 -7.906 1.00 22.44 C ATOM 1006 OH TYR A 60 1.020 1.325 -8.060 1.00 4.53 O ATOM 0 H TYR A 60 -3.336 8.105 -7.629 1.00 13.43 H new ATOM 0 HA TYR A 60 -2.538 6.146 -9.520 1.00 40.35 H new ATOM 0 HB2 TYR A 60 -1.556 6.789 -7.221 1.00 51.31 H new ATOM 0 HB3 TYR A 60 -2.830 5.808 -6.524 1.00 51.31 H new ATOM 0 HD1 TYR A 60 0.061 5.657 -8.878 1.00 65.43 H new ATOM 0 HD2 TYR A 60 -2.563 3.455 -6.343 1.00 74.00 H new ATOM 0 HE1 TYR A 60 1.461 3.660 -9.161 1.00 34.40 H new ATOM 0 HE2 TYR A 60 -1.157 1.463 -6.617 1.00 53.21 H new ATOM 0 HH TYR A 60 0.787 0.665 -7.374 1.00 4.53 H new ATOM 1016 N LEU A 61 -5.342 5.660 -7.886 1.00 2.24 N ATOM 1017 CA LEU A 61 -6.598 4.922 -7.884 1.00 54.03 C ATOM 1018 C LEU A 61 -7.240 4.957 -9.266 1.00 73.34 C ATOM 1019 O LEU A 61 -7.579 3.917 -9.830 1.00 20.35 O ATOM 1020 CB LEU A 61 -7.548 5.535 -6.852 1.00 35.22 C ATOM 1021 CG LEU A 61 -8.964 4.960 -6.822 1.00 33.32 C ATOM 1022 CD1 LEU A 61 -8.950 3.530 -6.312 1.00 25.12 C ATOM 1023 CD2 LEU A 61 -9.868 5.828 -5.960 1.00 14.34 C ATOM 0 H LEU A 61 -5.329 6.457 -7.249 1.00 2.24 H new ATOM 0 HA LEU A 61 -6.397 3.883 -7.623 1.00 54.03 H new ATOM 0 HB2 LEU A 61 -7.106 5.413 -5.863 1.00 35.22 H new ATOM 0 HB3 LEU A 61 -7.616 6.606 -7.041 1.00 35.22 H new ATOM 0 HG LEU A 61 -9.357 4.954 -7.839 1.00 33.32 H new ATOM 0 HD11 LEU A 61 -9.967 3.139 -6.298 1.00 25.12 H new ATOM 0 HD12 LEU A 61 -8.334 2.916 -6.968 1.00 25.12 H new ATOM 0 HD13 LEU A 61 -8.539 3.508 -5.303 1.00 25.12 H new ATOM 0 HD21 LEU A 61 -10.873 5.407 -5.948 1.00 14.34 H new ATOM 0 HD22 LEU A 61 -9.477 5.863 -4.943 1.00 14.34 H new ATOM 0 HD23 LEU A 61 -9.903 6.837 -6.370 1.00 14.34 H new ATOM 1035 N ILE A 62 -7.392 6.163 -9.802 1.00 23.31 N ATOM 1036 CA ILE A 62 -7.989 6.353 -11.122 1.00 41.01 C ATOM 1037 C ILE A 62 -7.179 5.631 -12.198 1.00 74.12 C ATOM 1038 O ILE A 62 -7.743 4.954 -13.058 1.00 71.41 O ATOM 1039 CB ILE A 62 -8.114 7.853 -11.481 1.00 11.24 C ATOM 1040 CG1 ILE A 62 -8.982 8.575 -10.447 1.00 21.22 C ATOM 1041 CG2 ILE A 62 -8.695 8.028 -12.877 1.00 24.43 C ATOM 1042 CD1 ILE A 62 -10.375 7.997 -10.303 1.00 63.04 C ATOM 0 H ILE A 62 -7.109 7.028 -9.342 1.00 23.31 H new ATOM 0 HA ILE A 62 -8.991 5.925 -11.084 1.00 41.01 H new ATOM 0 HB ILE A 62 -7.117 8.293 -11.470 1.00 11.24 H new ATOM 0 HG12 ILE A 62 -8.482 8.539 -9.479 1.00 21.22 H new ATOM 0 HG13 ILE A 62 -9.062 9.626 -10.725 1.00 21.22 H new ATOM 0 HG21 ILE A 62 -8.774 9.090 -13.108 1.00 24.43 H new ATOM 0 HG22 ILE A 62 -8.043 7.546 -13.605 1.00 24.43 H new ATOM 0 HG23 ILE A 62 -9.685 7.573 -12.919 1.00 24.43 H new ATOM 0 HD11 ILE A 62 -10.928 8.562 -9.553 1.00 63.04 H new ATOM 0 HD12 ILE A 62 -10.895 8.058 -11.259 1.00 63.04 H new ATOM 0 HD13 ILE A 62 -10.306 6.954 -9.994 1.00 63.04 H new ATOM 1054 N TYR A 63 -5.858 5.762 -12.132 1.00 22.02 N ATOM 1055 CA TYR A 63 -4.969 5.093 -13.078 1.00 10.50 C ATOM 1056 C TYR A 63 -5.171 3.581 -13.029 1.00 13.42 C ATOM 1057 O TYR A 63 -5.266 2.918 -14.065 1.00 23.40 O ATOM 1058 CB TYR A 63 -3.507 5.439 -12.772 1.00 74.13 C ATOM 1059 CG TYR A 63 -2.515 4.748 -13.683 1.00 72.03 C ATOM 1060 CD1 TYR A 63 -2.281 5.213 -14.970 1.00 4.41 C ATOM 1061 CD2 TYR A 63 -1.812 3.630 -13.251 1.00 12.03 C ATOM 1062 CE1 TYR A 63 -1.378 4.581 -15.804 1.00 51.23 C ATOM 1063 CE2 TYR A 63 -0.907 2.994 -14.077 1.00 2.32 C ATOM 1064 CZ TYR A 63 -0.694 3.473 -15.352 1.00 10.00 C ATOM 1065 OH TYR A 63 0.205 2.840 -16.180 1.00 2.21 O ATOM 0 H TYR A 63 -5.377 6.327 -11.432 1.00 22.02 H new ATOM 0 HA TYR A 63 -5.211 5.443 -14.081 1.00 10.50 H new ATOM 0 HB2 TYR A 63 -3.373 6.518 -12.855 1.00 74.13 H new ATOM 0 HB3 TYR A 63 -3.287 5.169 -11.739 1.00 74.13 H new ATOM 0 HD1 TYR A 63 -2.813 6.083 -15.325 1.00 4.41 H new ATOM 0 HD2 TYR A 63 -1.976 3.252 -12.253 1.00 12.03 H new ATOM 0 HE1 TYR A 63 -1.209 4.953 -16.804 1.00 51.23 H new ATOM 0 HE2 TYR A 63 -0.369 2.126 -13.726 1.00 2.32 H new ATOM 0 HH TYR A 63 0.602 2.078 -15.710 1.00 2.21 H new ATOM 1075 N MET A 64 -5.244 3.046 -11.819 1.00 74.12 N ATOM 1076 CA MET A 64 -5.422 1.619 -11.617 1.00 51.53 C ATOM 1077 C MET A 64 -6.777 1.168 -12.144 1.00 73.35 C ATOM 1078 O MET A 64 -6.884 0.194 -12.889 1.00 4.24 O ATOM 1079 CB MET A 64 -5.311 1.291 -10.129 1.00 51.32 C ATOM 1080 CG MET A 64 -5.290 -0.195 -9.848 1.00 22.35 C ATOM 1081 SD MET A 64 -5.118 -0.583 -8.094 1.00 5.12 S ATOM 1082 CE MET A 64 -3.798 0.529 -7.621 1.00 74.14 C ATOM 0 H MET A 64 -5.182 3.586 -10.956 1.00 74.12 H new ATOM 0 HA MET A 64 -4.642 1.090 -12.165 1.00 51.53 H new ATOM 0 HB2 MET A 64 -4.403 1.743 -9.730 1.00 51.32 H new ATOM 0 HB3 MET A 64 -6.150 1.743 -9.600 1.00 51.32 H new ATOM 0 HG2 MET A 64 -6.210 -0.643 -10.224 1.00 22.35 H new ATOM 0 HG3 MET A 64 -4.466 -0.651 -10.397 1.00 22.35 H new ATOM 0 HE1 MET A 64 -3.282 0.131 -6.747 1.00 74.14 H new ATOM 0 HE2 MET A 64 -3.092 0.627 -8.446 1.00 74.14 H new ATOM 0 HE3 MET A 64 -4.215 1.507 -7.382 1.00 74.14 H new ATOM 1092 N LYS A 65 -7.802 1.891 -11.735 1.00 74.21 N ATOM 1093 CA LYS A 65 -9.175 1.619 -12.147 1.00 1.33 C ATOM 1094 C LYS A 65 -9.313 1.674 -13.672 1.00 31.24 C ATOM 1095 O LYS A 65 -9.835 0.746 -14.288 1.00 43.40 O ATOM 1096 CB LYS A 65 -10.118 2.640 -11.482 1.00 62.35 C ATOM 1097 CG LYS A 65 -11.596 2.252 -11.466 1.00 74.44 C ATOM 1098 CD LYS A 65 -12.237 2.345 -12.842 1.00 21.22 C ATOM 1099 CE LYS A 65 -13.720 2.020 -12.791 1.00 73.43 C ATOM 1100 NZ LYS A 65 -14.501 3.075 -12.091 1.00 71.21 N ATOM 0 H LYS A 65 -7.710 2.688 -11.105 1.00 74.21 H new ATOM 0 HA LYS A 65 -9.447 0.613 -11.827 1.00 1.33 H new ATOM 0 HB2 LYS A 65 -9.790 2.797 -10.455 1.00 62.35 H new ATOM 0 HB3 LYS A 65 -10.016 3.594 -11.999 1.00 62.35 H new ATOM 0 HG2 LYS A 65 -11.697 1.234 -11.090 1.00 74.44 H new ATOM 0 HG3 LYS A 65 -12.132 2.902 -10.774 1.00 74.44 H new ATOM 0 HD2 LYS A 65 -12.098 3.349 -13.242 1.00 21.22 H new ATOM 0 HD3 LYS A 65 -11.737 1.658 -13.524 1.00 21.22 H new ATOM 0 HE2 LYS A 65 -14.100 1.902 -13.806 1.00 73.43 H new ATOM 0 HE3 LYS A 65 -13.864 1.066 -12.284 1.00 73.43 H new ATOM 0 HZ1 LYS A 65 -15.518 2.892 -12.211 1.00 71.21 H new ATOM 0 HZ2 LYS A 65 -14.265 3.067 -11.078 1.00 71.21 H new ATOM 0 HZ3 LYS A 65 -14.267 4.005 -12.494 1.00 71.21 H new ATOM 1114 N LYS A 66 -8.834 2.756 -14.278 1.00 50.41 N ATOM 1115 CA LYS A 66 -9.041 2.986 -15.706 1.00 13.45 C ATOM 1116 C LYS A 66 -8.051 2.220 -16.578 1.00 32.31 C ATOM 1117 O LYS A 66 -8.444 1.334 -17.338 1.00 41.42 O ATOM 1118 CB LYS A 66 -8.951 4.481 -16.024 1.00 24.42 C ATOM 1119 CG LYS A 66 -10.141 5.286 -15.533 1.00 73.54 C ATOM 1120 CD LYS A 66 -11.439 4.766 -16.127 1.00 23.31 C ATOM 1121 CE LYS A 66 -12.598 5.711 -15.861 1.00 53.24 C ATOM 1122 NZ LYS A 66 -12.416 7.018 -16.548 1.00 60.40 N ATOM 0 H LYS A 66 -8.301 3.486 -13.805 1.00 50.41 H new ATOM 0 HA LYS A 66 -10.039 2.614 -15.939 1.00 13.45 H new ATOM 0 HB2 LYS A 66 -8.042 4.884 -15.576 1.00 24.42 H new ATOM 0 HB3 LYS A 66 -8.858 4.608 -17.103 1.00 24.42 H new ATOM 0 HG2 LYS A 66 -10.191 5.239 -14.445 1.00 73.54 H new ATOM 0 HG3 LYS A 66 -10.010 6.334 -15.801 1.00 73.54 H new ATOM 0 HD2 LYS A 66 -11.319 4.631 -17.202 1.00 23.31 H new ATOM 0 HD3 LYS A 66 -11.665 3.786 -15.706 1.00 23.31 H new ATOM 0 HE2 LYS A 66 -13.527 5.250 -16.197 1.00 53.24 H new ATOM 0 HE3 LYS A 66 -12.694 5.875 -14.788 1.00 53.24 H new ATOM 0 HZ1 LYS A 66 -13.330 7.511 -16.603 1.00 60.40 H new ATOM 0 HZ2 LYS A 66 -11.740 7.600 -16.013 1.00 60.40 H new ATOM 0 HZ3 LYS A 66 -12.051 6.857 -17.508 1.00 60.40 H new ATOM 1136 N THR A 67 -6.773 2.552 -16.457 1.00 55.34 N ATOM 1137 CA THR A 67 -5.754 2.022 -17.357 1.00 33.52 C ATOM 1138 C THR A 67 -5.448 0.553 -17.067 1.00 55.40 C ATOM 1139 O THR A 67 -5.323 -0.259 -17.988 1.00 51.15 O ATOM 1140 CB THR A 67 -4.462 2.856 -17.264 1.00 73.31 C ATOM 1141 OG1 THR A 67 -4.763 4.231 -17.545 1.00 71.34 O ATOM 1142 CG2 THR A 67 -3.406 2.355 -18.243 1.00 32.31 C ATOM 0 H THR A 67 -6.415 3.187 -15.743 1.00 55.34 H new ATOM 0 HA THR A 67 -6.152 2.088 -18.370 1.00 33.52 H new ATOM 0 HB THR A 67 -4.062 2.757 -16.255 1.00 73.31 H new ATOM 0 HG1 THR A 67 -3.943 4.764 -17.485 1.00 71.34 H new ATOM 0 HG21 THR A 67 -2.507 2.965 -18.152 1.00 32.31 H new ATOM 0 HG22 THR A 67 -3.164 1.316 -18.017 1.00 32.31 H new ATOM 0 HG23 THR A 67 -3.791 2.425 -19.260 1.00 32.31 H new ATOM 1150 N LEU A 68 -5.341 0.207 -15.792 1.00 12.43 N ATOM 1151 CA LEU A 68 -5.030 -1.164 -15.406 1.00 42.03 C ATOM 1152 C LEU A 68 -6.299 -2.009 -15.362 1.00 12.14 C ATOM 1153 O LEU A 68 -6.236 -3.239 -15.338 1.00 70.13 O ATOM 1154 CB LEU A 68 -4.324 -1.190 -14.050 1.00 51.41 C ATOM 1155 CG LEU A 68 -3.034 -0.369 -13.979 1.00 23.11 C ATOM 1156 CD1 LEU A 68 -2.443 -0.417 -12.580 1.00 25.24 C ATOM 1157 CD2 LEU A 68 -2.024 -0.866 -15.002 1.00 51.32 C ATOM 0 H LEU A 68 -5.464 0.851 -15.011 1.00 12.43 H new ATOM 0 HA LEU A 68 -4.360 -1.588 -16.154 1.00 42.03 H new ATOM 0 HB2 LEU A 68 -5.014 -0.822 -13.291 1.00 51.41 H new ATOM 0 HB3 LEU A 68 -4.093 -2.225 -13.797 1.00 51.41 H new ATOM 0 HG LEU A 68 -3.278 0.667 -14.213 1.00 23.11 H new ATOM 0 HD11 LEU A 68 -1.527 0.173 -12.552 1.00 25.24 H new ATOM 0 HD12 LEU A 68 -3.160 -0.008 -11.868 1.00 25.24 H new ATOM 0 HD13 LEU A 68 -2.218 -1.450 -12.315 1.00 25.24 H new ATOM 0 HD21 LEU A 68 -1.114 -0.269 -14.935 1.00 51.32 H new ATOM 0 HD22 LEU A 68 -1.788 -1.911 -14.802 1.00 51.32 H new ATOM 0 HD23 LEU A 68 -2.445 -0.774 -16.003 1.00 51.32 H new ATOM 1169 N CYS A 69 -7.444 -1.326 -15.353 1.00 73.42 N ATOM 1170 CA CYS A 69 -8.756 -1.974 -15.350 1.00 2.42 C ATOM 1171 C CYS A 69 -8.947 -2.818 -14.087 1.00 54.54 C ATOM 1172 O CYS A 69 -9.467 -3.934 -14.138 1.00 33.23 O ATOM 1173 CB CYS A 69 -8.942 -2.832 -16.612 1.00 43.04 C ATOM 1174 SG CYS A 69 -10.625 -3.460 -16.848 1.00 11.50 S ATOM 0 H CYS A 69 -7.488 -0.307 -15.348 1.00 73.42 H new ATOM 0 HA CYS A 69 -9.518 -1.194 -15.352 1.00 2.42 H new ATOM 0 HB2 CYS A 69 -8.662 -2.240 -17.484 1.00 43.04 H new ATOM 0 HB3 CYS A 69 -8.255 -3.677 -16.567 1.00 43.04 H new ATOM 0 HG CYS A 69 -11.043 -4.006 -15.745 1.00 11.50 H new ATOM 1180 N ASN A 70 -8.529 -2.278 -12.950 1.00 42.42 N ATOM 1181 CA ASN A 70 -8.759 -2.938 -11.670 1.00 25.40 C ATOM 1182 C ASN A 70 -10.063 -2.457 -11.063 1.00 1.33 C ATOM 1183 O ASN A 70 -10.459 -1.306 -11.256 1.00 1.15 O ATOM 1184 CB ASN A 70 -7.621 -2.683 -10.682 1.00 53.51 C ATOM 1185 CG ASN A 70 -6.346 -3.419 -11.041 1.00 44.43 C ATOM 1186 OD1 ASN A 70 -6.038 -3.638 -12.209 1.00 21.32 O ATOM 1187 ND2 ASN A 70 -5.597 -3.825 -10.029 1.00 52.31 N ATOM 0 H ASN A 70 -8.032 -1.390 -12.887 1.00 42.42 H new ATOM 0 HA ASN A 70 -8.808 -4.010 -11.863 1.00 25.40 H new ATOM 0 HB2 ASN A 70 -7.417 -1.613 -10.641 1.00 53.51 H new ATOM 0 HB3 ASN A 70 -7.939 -2.985 -9.684 1.00 53.51 H new ATOM 0 HD21 ASN A 70 -4.733 -4.337 -10.207 1.00 52.31 H new ATOM 0 HD22 ASN A 70 -5.883 -3.626 -9.071 1.00 52.31 H new ATOM 1194 N ALA A 71 -10.730 -3.341 -10.345 1.00 54.24 N ATOM 1195 CA ALA A 71 -11.983 -3.005 -9.692 1.00 23.21 C ATOM 1196 C ALA A 71 -11.733 -2.182 -8.436 1.00 55.14 C ATOM 1197 O ALA A 71 -10.599 -2.099 -7.957 1.00 60.31 O ATOM 1198 CB ALA A 71 -12.752 -4.270 -9.356 1.00 23.52 C ATOM 0 H ALA A 71 -10.423 -4.303 -10.198 1.00 54.24 H new ATOM 0 HA ALA A 71 -12.580 -2.403 -10.377 1.00 23.21 H new ATOM 0 HB1 ALA A 71 -13.690 -4.007 -8.867 1.00 23.52 H new ATOM 0 HB2 ALA A 71 -12.963 -4.822 -10.272 1.00 23.52 H new ATOM 0 HB3 ALA A 71 -12.156 -4.891 -8.688 1.00 23.52 H new ATOM 1204 N ASP A 72 -12.798 -1.587 -7.905 1.00 51.22 N ATOM 1205 CA ASP A 72 -12.709 -0.750 -6.708 1.00 61.01 C ATOM 1206 C ASP A 72 -12.037 -1.488 -5.558 1.00 63.22 C ATOM 1207 O ASP A 72 -11.063 -1.003 -4.989 1.00 53.11 O ATOM 1208 CB ASP A 72 -14.099 -0.264 -6.273 1.00 40.24 C ATOM 1209 CG ASP A 72 -15.114 -1.386 -6.153 1.00 20.41 C ATOM 1210 OD1 ASP A 72 -15.787 -1.689 -7.158 1.00 52.14 O ATOM 1211 OD2 ASP A 72 -15.244 -1.973 -5.056 1.00 4.04 O ATOM 0 H ASP A 72 -13.740 -1.669 -8.287 1.00 51.22 H new ATOM 0 HA ASP A 72 -12.096 0.114 -6.965 1.00 61.01 H new ATOM 0 HB2 ASP A 72 -14.015 0.245 -5.313 1.00 40.24 H new ATOM 0 HB3 ASP A 72 -14.462 0.470 -6.992 1.00 40.24 H new ATOM 1216 N SER A 73 -12.538 -2.671 -5.236 1.00 11.05 N ATOM 1217 CA SER A 73 -12.011 -3.443 -4.122 1.00 32.13 C ATOM 1218 C SER A 73 -10.576 -3.886 -4.393 1.00 30.21 C ATOM 1219 O SER A 73 -9.768 -4.012 -3.471 1.00 2.41 O ATOM 1220 CB SER A 73 -12.909 -4.648 -3.856 1.00 65.42 C ATOM 1221 OG SER A 73 -14.247 -4.235 -3.613 1.00 74.15 O ATOM 0 H SER A 73 -13.310 -3.117 -5.731 1.00 11.05 H new ATOM 0 HA SER A 73 -11.999 -2.810 -3.235 1.00 32.13 H new ATOM 0 HB2 SER A 73 -12.882 -5.324 -4.711 1.00 65.42 H new ATOM 0 HB3 SER A 73 -12.534 -5.205 -2.997 1.00 65.42 H new ATOM 0 HG SER A 73 -14.434 -3.417 -4.120 1.00 74.15 H new ATOM 1227 N THR A 74 -10.259 -4.096 -5.662 1.00 74.13 N ATOM 1228 CA THR A 74 -8.919 -4.482 -6.064 1.00 53.12 C ATOM 1229 C THR A 74 -7.950 -3.320 -5.858 1.00 13.13 C ATOM 1230 O THR A 74 -6.826 -3.502 -5.392 1.00 11.52 O ATOM 1231 CB THR A 74 -8.904 -4.921 -7.539 1.00 53.14 C ATOM 1232 OG1 THR A 74 -10.027 -5.779 -7.790 1.00 53.03 O ATOM 1233 CG2 THR A 74 -7.616 -5.656 -7.879 1.00 41.12 C ATOM 0 H THR A 74 -10.919 -4.004 -6.435 1.00 74.13 H new ATOM 0 HA THR A 74 -8.603 -5.322 -5.445 1.00 53.12 H new ATOM 0 HB THR A 74 -8.965 -4.031 -8.165 1.00 53.14 H new ATOM 0 HG1 THR A 74 -10.021 -6.059 -8.729 1.00 53.03 H new ATOM 0 HG21 THR A 74 -7.633 -5.954 -8.927 1.00 41.12 H new ATOM 0 HG22 THR A 74 -6.765 -4.999 -7.703 1.00 41.12 H new ATOM 0 HG23 THR A 74 -7.526 -6.542 -7.251 1.00 41.12 H new ATOM 1241 N ALA A 75 -8.407 -2.121 -6.189 1.00 51.31 N ATOM 1242 CA ALA A 75 -7.604 -0.922 -6.015 1.00 52.31 C ATOM 1243 C ALA A 75 -7.458 -0.581 -4.536 1.00 12.10 C ATOM 1244 O ALA A 75 -6.370 -0.234 -4.071 1.00 63.23 O ATOM 1245 CB ALA A 75 -8.226 0.238 -6.772 1.00 23.21 C ATOM 0 H ALA A 75 -9.334 -1.954 -6.581 1.00 51.31 H new ATOM 0 HA ALA A 75 -6.609 -1.109 -6.419 1.00 52.31 H new ATOM 0 HB1 ALA A 75 -7.616 1.131 -6.635 1.00 23.21 H new ATOM 0 HB2 ALA A 75 -8.278 -0.006 -7.833 1.00 23.21 H new ATOM 0 HB3 ALA A 75 -9.231 0.423 -6.393 1.00 23.21 H new ATOM 1251 N GLN A 76 -8.560 -0.708 -3.803 1.00 14.11 N ATOM 1252 CA GLN A 76 -8.595 -0.425 -2.382 1.00 32.43 C ATOM 1253 C GLN A 76 -7.585 -1.276 -1.621 1.00 44.22 C ATOM 1254 O GLN A 76 -6.821 -0.761 -0.804 1.00 24.15 O ATOM 1255 CB GLN A 76 -10.008 -0.679 -1.856 1.00 34.03 C ATOM 1256 CG GLN A 76 -11.013 0.393 -2.254 1.00 45.23 C ATOM 1257 CD GLN A 76 -10.780 1.710 -1.538 1.00 52.22 C ATOM 1258 OE1 GLN A 76 -10.273 1.738 -0.418 1.00 25.35 O ATOM 1259 NE2 GLN A 76 -11.165 2.808 -2.168 1.00 2.54 N ATOM 0 H GLN A 76 -9.456 -1.012 -4.185 1.00 14.11 H new ATOM 0 HA GLN A 76 -8.325 0.620 -2.226 1.00 32.43 H new ATOM 0 HB2 GLN A 76 -10.355 -1.644 -2.225 1.00 34.03 H new ATOM 0 HB3 GLN A 76 -9.974 -0.747 -0.769 1.00 34.03 H new ATOM 0 HG2 GLN A 76 -10.958 0.555 -3.330 1.00 45.23 H new ATOM 0 HG3 GLN A 76 -12.021 0.039 -2.036 1.00 45.23 H new ATOM 0 HE21 GLN A 76 -11.582 2.744 -3.097 1.00 2.54 H new ATOM 0 HE22 GLN A 76 -11.045 3.719 -1.725 1.00 2.54 H new ATOM 1268 N ARG A 77 -7.564 -2.575 -1.905 1.00 23.52 N ATOM 1269 CA ARG A 77 -6.672 -3.490 -1.199 1.00 42.11 C ATOM 1270 C ARG A 77 -5.209 -3.205 -1.546 1.00 40.31 C ATOM 1271 O ARG A 77 -4.316 -3.414 -0.723 1.00 71.35 O ATOM 1272 CB ARG A 77 -7.033 -4.950 -1.502 1.00 73.40 C ATOM 1273 CG ARG A 77 -6.761 -5.381 -2.930 1.00 40.00 C ATOM 1274 CD ARG A 77 -7.266 -6.791 -3.184 1.00 71.34 C ATOM 1275 NE ARG A 77 -6.856 -7.297 -4.492 1.00 15.22 N ATOM 1276 CZ ARG A 77 -7.405 -8.352 -5.090 1.00 73.41 C ATOM 1277 NH1 ARG A 77 -8.461 -8.954 -4.551 1.00 64.43 N ATOM 1278 NH2 ARG A 77 -6.913 -8.786 -6.242 1.00 60.13 N ATOM 0 H ARG A 77 -8.150 -3.016 -2.614 1.00 23.52 H new ATOM 0 HA ARG A 77 -6.801 -3.327 -0.129 1.00 42.11 H new ATOM 0 HB2 ARG A 77 -6.473 -5.597 -0.827 1.00 73.40 H new ATOM 0 HB3 ARG A 77 -8.090 -5.102 -1.285 1.00 73.40 H new ATOM 0 HG2 ARG A 77 -7.244 -4.689 -3.620 1.00 40.00 H new ATOM 0 HG3 ARG A 77 -5.690 -5.334 -3.129 1.00 40.00 H new ATOM 0 HD2 ARG A 77 -6.891 -7.455 -2.405 1.00 71.34 H new ATOM 0 HD3 ARG A 77 -8.354 -6.803 -3.116 1.00 71.34 H new ATOM 0 HE ARG A 77 -6.102 -6.811 -4.977 1.00 15.22 H new ATOM 0 HH11 ARG A 77 -8.854 -8.608 -3.676 1.00 64.43 H new ATOM 0 HH12 ARG A 77 -8.878 -9.762 -5.013 1.00 64.43 H new ATOM 0 HH21 ARG A 77 -6.116 -8.312 -6.667 1.00 60.13 H new ATOM 0 HH22 ARG A 77 -7.331 -9.594 -6.703 1.00 60.13 H new ATOM 1292 N ASN A 78 -4.969 -2.699 -2.752 1.00 21.30 N ATOM 1293 CA ASN A 78 -3.620 -2.322 -3.160 1.00 70.52 C ATOM 1294 C ASN A 78 -3.173 -1.083 -2.407 1.00 31.21 C ATOM 1295 O ASN A 78 -2.095 -1.056 -1.817 1.00 44.04 O ATOM 1296 CB ASN A 78 -3.539 -2.073 -4.670 1.00 4.21 C ATOM 1297 CG ASN A 78 -3.598 -3.354 -5.479 1.00 42.13 C ATOM 1298 OD1 ASN A 78 -3.185 -4.416 -5.016 1.00 44.00 O ATOM 1299 ND2 ASN A 78 -4.106 -3.265 -6.696 1.00 31.01 N ATOM 0 H ASN A 78 -5.686 -2.541 -3.460 1.00 21.30 H new ATOM 0 HA ASN A 78 -2.955 -3.152 -2.919 1.00 70.52 H new ATOM 0 HB2 ASN A 78 -4.358 -1.420 -4.971 1.00 4.21 H new ATOM 0 HB3 ASN A 78 -2.612 -1.547 -4.898 1.00 4.21 H new ATOM 0 HD21 ASN A 78 -4.166 -4.095 -7.286 1.00 31.01 H new ATOM 0 HD22 ASN A 78 -4.438 -2.366 -7.045 1.00 31.01 H new ATOM 1306 N LEU A 79 -4.024 -0.069 -2.408 1.00 33.35 N ATOM 1307 CA LEU A 79 -3.743 1.172 -1.697 1.00 22.22 C ATOM 1308 C LEU A 79 -3.607 0.916 -0.200 1.00 74.21 C ATOM 1309 O LEU A 79 -2.874 1.619 0.497 1.00 71.05 O ATOM 1310 CB LEU A 79 -4.849 2.196 -1.955 1.00 21.03 C ATOM 1311 CG LEU A 79 -4.980 2.668 -3.407 1.00 10.11 C ATOM 1312 CD1 LEU A 79 -6.124 3.659 -3.543 1.00 2.13 C ATOM 1313 CD2 LEU A 79 -3.679 3.292 -3.889 1.00 65.43 C ATOM 0 H LEU A 79 -4.920 -0.080 -2.895 1.00 33.35 H new ATOM 0 HA LEU A 79 -2.799 1.571 -2.068 1.00 22.22 H new ATOM 0 HB2 LEU A 79 -5.800 1.765 -1.643 1.00 21.03 H new ATOM 0 HB3 LEU A 79 -4.671 3.066 -1.322 1.00 21.03 H new ATOM 0 HG LEU A 79 -5.196 1.800 -4.030 1.00 10.11 H new ATOM 0 HD11 LEU A 79 -6.203 3.984 -4.581 1.00 2.13 H new ATOM 0 HD12 LEU A 79 -7.056 3.182 -3.240 1.00 2.13 H new ATOM 0 HD13 LEU A 79 -5.935 4.523 -2.906 1.00 2.13 H new ATOM 0 HD21 LEU A 79 -3.794 3.620 -4.922 1.00 65.43 H new ATOM 0 HD22 LEU A 79 -3.432 4.148 -3.261 1.00 65.43 H new ATOM 0 HD23 LEU A 79 -2.878 2.555 -3.829 1.00 65.43 H new ATOM 1325 N SER A 80 -4.320 -0.096 0.282 1.00 15.33 N ATOM 1326 CA SER A 80 -4.237 -0.505 1.677 1.00 33.45 C ATOM 1327 C SER A 80 -2.797 -0.811 2.089 1.00 63.05 C ATOM 1328 O SER A 80 -2.334 -0.330 3.119 1.00 41.32 O ATOM 1329 CB SER A 80 -5.125 -1.723 1.935 1.00 0.31 C ATOM 1330 OG SER A 80 -6.494 -1.402 1.762 1.00 21.45 O ATOM 0 H SER A 80 -4.966 -0.651 -0.279 1.00 15.33 H new ATOM 0 HA SER A 80 -4.592 0.329 2.283 1.00 33.45 H new ATOM 0 HB2 SER A 80 -4.849 -2.529 1.255 1.00 0.31 H new ATOM 0 HB3 SER A 80 -4.959 -2.090 2.948 1.00 0.31 H new ATOM 0 HG SER A 80 -6.625 -0.992 0.882 1.00 21.45 H new ATOM 1336 N THR A 81 -2.083 -1.589 1.278 1.00 4.23 N ATOM 1337 CA THR A 81 -0.709 -1.962 1.608 1.00 71.34 C ATOM 1338 C THR A 81 0.186 -0.724 1.699 1.00 41.23 C ATOM 1339 O THR A 81 1.074 -0.640 2.551 1.00 53.01 O ATOM 1340 CB THR A 81 -0.117 -2.961 0.586 1.00 73.23 C ATOM 1341 OG1 THR A 81 -0.072 -2.382 -0.726 1.00 11.41 O ATOM 1342 CG2 THR A 81 -0.930 -4.249 0.546 1.00 53.41 C ATOM 0 H THR A 81 -2.428 -1.970 0.397 1.00 4.23 H new ATOM 0 HA THR A 81 -0.741 -2.454 2.580 1.00 71.34 H new ATOM 0 HB THR A 81 0.898 -3.195 0.907 1.00 73.23 H new ATOM 0 HG1 THR A 81 -0.970 -2.086 -0.984 1.00 11.41 H new ATOM 0 HG21 THR A 81 -0.492 -4.933 -0.181 1.00 53.41 H new ATOM 0 HG22 THR A 81 -0.924 -4.714 1.532 1.00 53.41 H new ATOM 0 HG23 THR A 81 -1.957 -4.022 0.258 1.00 53.41 H new ATOM 1350 N ILE A 82 -0.081 0.243 0.832 1.00 52.52 N ATOM 1351 CA ILE A 82 0.654 1.498 0.817 1.00 5.02 C ATOM 1352 C ILE A 82 0.354 2.310 2.078 1.00 61.55 C ATOM 1353 O ILE A 82 1.264 2.720 2.797 1.00 22.34 O ATOM 1354 CB ILE A 82 0.292 2.336 -0.428 1.00 62.25 C ATOM 1355 CG1 ILE A 82 0.547 1.528 -1.703 1.00 21.25 C ATOM 1356 CG2 ILE A 82 1.084 3.635 -0.453 1.00 24.50 C ATOM 1357 CD1 ILE A 82 0.129 2.240 -2.972 1.00 43.12 C ATOM 0 H ILE A 82 -0.811 0.179 0.122 1.00 52.52 H new ATOM 0 HA ILE A 82 1.717 1.259 0.785 1.00 5.02 H new ATOM 0 HB ILE A 82 -0.768 2.585 -0.379 1.00 62.25 H new ATOM 0 HG12 ILE A 82 1.609 1.289 -1.764 1.00 21.25 H new ATOM 0 HG13 ILE A 82 0.011 0.581 -1.635 1.00 21.25 H new ATOM 0 HG21 ILE A 82 0.813 4.209 -1.339 1.00 24.50 H new ATOM 0 HG22 ILE A 82 0.857 4.217 0.440 1.00 24.50 H new ATOM 0 HG23 ILE A 82 2.150 3.411 -0.478 1.00 24.50 H new ATOM 0 HD11 ILE A 82 0.341 1.605 -3.832 1.00 43.12 H new ATOM 0 HD12 ILE A 82 -0.939 2.455 -2.934 1.00 43.12 H new ATOM 0 HD13 ILE A 82 0.684 3.174 -3.065 1.00 43.12 H new ATOM 1369 N LYS A 83 -0.927 2.522 2.356 1.00 64.31 N ATOM 1370 CA LYS A 83 -1.333 3.310 3.509 1.00 52.40 C ATOM 1371 C LYS A 83 -0.883 2.659 4.806 1.00 52.33 C ATOM 1372 O LYS A 83 -0.630 3.355 5.775 1.00 44.52 O ATOM 1373 CB LYS A 83 -2.847 3.580 3.489 1.00 42.44 C ATOM 1374 CG LYS A 83 -3.731 2.372 3.752 1.00 62.11 C ATOM 1375 CD LYS A 83 -4.158 2.308 5.208 1.00 64.23 C ATOM 1376 CE LYS A 83 -5.065 1.119 5.471 1.00 11.54 C ATOM 1377 NZ LYS A 83 -5.541 1.082 6.878 1.00 2.24 N ATOM 0 H LYS A 83 -1.700 2.159 1.798 1.00 64.31 H new ATOM 0 HA LYS A 83 -0.835 4.278 3.451 1.00 52.40 H new ATOM 0 HB2 LYS A 83 -3.072 4.342 4.235 1.00 42.44 H new ATOM 0 HB3 LYS A 83 -3.111 3.997 2.517 1.00 42.44 H new ATOM 0 HG2 LYS A 83 -4.613 2.418 3.114 1.00 62.11 H new ATOM 0 HG3 LYS A 83 -3.194 1.461 3.488 1.00 62.11 H new ATOM 0 HD2 LYS A 83 -3.276 2.241 5.844 1.00 64.23 H new ATOM 0 HD3 LYS A 83 -4.676 3.229 5.477 1.00 64.23 H new ATOM 0 HE2 LYS A 83 -5.922 1.162 4.799 1.00 11.54 H new ATOM 0 HE3 LYS A 83 -4.529 0.197 5.245 1.00 11.54 H new ATOM 0 HZ1 LYS A 83 -6.157 0.255 7.014 1.00 2.24 H new ATOM 0 HZ2 LYS A 83 -4.725 1.015 7.519 1.00 2.24 H new ATOM 0 HZ3 LYS A 83 -6.075 1.950 7.087 1.00 2.24 H new ATOM 1391 N ILE A 84 -0.771 1.336 4.822 1.00 23.51 N ATOM 1392 CA ILE A 84 -0.249 0.636 5.991 1.00 11.44 C ATOM 1393 C ILE A 84 1.195 1.058 6.287 1.00 21.51 C ATOM 1394 O ILE A 84 1.510 1.445 7.414 1.00 5.42 O ATOM 1395 CB ILE A 84 -0.325 -0.902 5.824 1.00 45.01 C ATOM 1396 CG1 ILE A 84 -1.783 -1.368 5.862 1.00 63.01 C ATOM 1397 CG2 ILE A 84 0.487 -1.606 6.907 1.00 1.55 C ATOM 1398 CD1 ILE A 84 -1.955 -2.853 5.619 1.00 22.45 C ATOM 0 H ILE A 84 -1.032 0.729 4.045 1.00 23.51 H new ATOM 0 HA ILE A 84 -0.879 0.916 6.835 1.00 11.44 H new ATOM 0 HB ILE A 84 0.101 -1.163 4.855 1.00 45.01 H new ATOM 0 HG12 ILE A 84 -2.210 -1.116 6.833 1.00 63.01 H new ATOM 0 HG13 ILE A 84 -2.350 -0.818 5.111 1.00 63.01 H new ATOM 0 HG21 ILE A 84 0.419 -2.685 6.769 1.00 1.55 H new ATOM 0 HG22 ILE A 84 1.530 -1.297 6.839 1.00 1.55 H new ATOM 0 HG23 ILE A 84 0.093 -1.340 7.888 1.00 1.55 H new ATOM 0 HD11 ILE A 84 -3.014 -3.108 5.661 1.00 22.45 H new ATOM 0 HD12 ILE A 84 -1.559 -3.109 4.636 1.00 22.45 H new ATOM 0 HD13 ILE A 84 -1.416 -3.412 6.384 1.00 22.45 H new ATOM 1410 N TYR A 85 2.072 1.011 5.281 1.00 35.15 N ATOM 1411 CA TYR A 85 3.475 1.327 5.511 1.00 71.14 C ATOM 1412 C TYR A 85 3.660 2.829 5.714 1.00 63.21 C ATOM 1413 O TYR A 85 4.498 3.257 6.506 1.00 22.12 O ATOM 1414 CB TYR A 85 4.368 0.792 4.375 1.00 30.21 C ATOM 1415 CG TYR A 85 4.658 1.759 3.238 1.00 71.21 C ATOM 1416 CD1 TYR A 85 5.711 2.666 3.320 1.00 13.52 C ATOM 1417 CD2 TYR A 85 3.892 1.756 2.082 1.00 20.31 C ATOM 1418 CE1 TYR A 85 5.990 3.535 2.285 1.00 14.21 C ATOM 1419 CE2 TYR A 85 4.165 2.624 1.041 1.00 34.04 C ATOM 1420 CZ TYR A 85 5.212 3.514 1.150 1.00 54.14 C ATOM 1421 OH TYR A 85 5.485 4.380 0.116 1.00 45.13 O ATOM 0 H TYR A 85 1.838 0.762 4.320 1.00 35.15 H new ATOM 0 HA TYR A 85 3.790 0.824 6.425 1.00 71.14 H new ATOM 0 HB2 TYR A 85 5.318 0.475 4.806 1.00 30.21 H new ATOM 0 HB3 TYR A 85 3.895 -0.097 3.957 1.00 30.21 H new ATOM 0 HD1 TYR A 85 6.321 2.690 4.211 1.00 13.52 H new ATOM 0 HD2 TYR A 85 3.068 1.064 1.993 1.00 20.31 H new ATOM 0 HE1 TYR A 85 6.815 4.228 2.365 1.00 14.21 H new ATOM 0 HE2 TYR A 85 3.561 2.605 0.146 1.00 34.04 H new ATOM 0 HH TYR A 85 6.351 4.152 -0.282 1.00 45.13 H new ATOM 1431 N VAL A 86 2.863 3.625 5.008 1.00 74.32 N ATOM 1432 CA VAL A 86 2.880 5.071 5.186 1.00 32.23 C ATOM 1433 C VAL A 86 2.427 5.423 6.598 1.00 22.13 C ATOM 1434 O VAL A 86 3.043 6.240 7.273 1.00 72.31 O ATOM 1435 CB VAL A 86 1.971 5.785 4.157 1.00 2.23 C ATOM 1436 CG1 VAL A 86 1.859 7.271 4.467 1.00 43.53 C ATOM 1437 CG2 VAL A 86 2.500 5.580 2.746 1.00 23.34 C ATOM 0 H VAL A 86 2.199 3.293 4.309 1.00 74.32 H new ATOM 0 HA VAL A 86 3.903 5.413 5.027 1.00 32.23 H new ATOM 0 HB VAL A 86 0.976 5.346 4.225 1.00 2.23 H new ATOM 0 HG11 VAL A 86 1.215 7.749 3.729 1.00 43.53 H new ATOM 0 HG12 VAL A 86 1.433 7.404 5.461 1.00 43.53 H new ATOM 0 HG13 VAL A 86 2.849 7.725 4.433 1.00 43.53 H new ATOM 0 HG21 VAL A 86 1.848 6.089 2.036 1.00 23.34 H new ATOM 0 HG22 VAL A 86 3.507 5.989 2.672 1.00 23.34 H new ATOM 0 HG23 VAL A 86 2.524 4.514 2.518 1.00 23.34 H new ATOM 1447 N SER A 87 1.359 4.772 7.034 1.00 33.20 N ATOM 1448 CA SER A 87 0.819 4.960 8.372 1.00 21.41 C ATOM 1449 C SER A 87 1.837 4.561 9.445 1.00 61.32 C ATOM 1450 O SER A 87 1.949 5.218 10.482 1.00 3.11 O ATOM 1451 CB SER A 87 -0.474 4.154 8.505 1.00 1.22 C ATOM 1452 OG SER A 87 -1.590 4.895 8.035 1.00 43.12 O ATOM 0 H SER A 87 0.842 4.098 6.470 1.00 33.20 H new ATOM 0 HA SER A 87 0.600 6.017 8.524 1.00 21.41 H new ATOM 0 HB2 SER A 87 -0.387 3.225 7.941 1.00 1.22 H new ATOM 0 HB3 SER A 87 -0.629 3.880 9.548 1.00 1.22 H new ATOM 0 HG SER A 87 -1.729 4.708 7.083 1.00 43.12 H new ATOM 1458 N ALA A 88 2.595 3.498 9.186 1.00 31.44 N ATOM 1459 CA ALA A 88 3.657 3.083 10.094 1.00 3.14 C ATOM 1460 C ALA A 88 4.761 4.139 10.132 1.00 23.44 C ATOM 1461 O ALA A 88 5.337 4.420 11.184 1.00 3.35 O ATOM 1462 CB ALA A 88 4.218 1.731 9.673 1.00 43.11 C ATOM 0 H ALA A 88 2.493 2.912 8.358 1.00 31.44 H new ATOM 0 HA ALA A 88 3.242 2.982 11.097 1.00 3.14 H new ATOM 0 HB1 ALA A 88 5.010 1.435 10.361 1.00 43.11 H new ATOM 0 HB2 ALA A 88 3.423 0.985 9.693 1.00 43.11 H new ATOM 0 HB3 ALA A 88 4.623 1.803 8.664 1.00 43.11 H new ATOM 1468 N ALA A 89 5.020 4.739 8.977 1.00 34.51 N ATOM 1469 CA ALA A 89 6.012 5.802 8.849 1.00 22.32 C ATOM 1470 C ALA A 89 5.566 7.065 9.573 1.00 64.22 C ATOM 1471 O ALA A 89 6.379 7.929 9.900 1.00 3.04 O ATOM 1472 CB ALA A 89 6.295 6.096 7.384 1.00 4.15 C ATOM 0 H ALA A 89 4.550 4.504 8.103 1.00 34.51 H new ATOM 0 HA ALA A 89 6.934 5.457 9.318 1.00 22.32 H new ATOM 0 HB1 ALA A 89 7.037 6.891 7.309 1.00 4.15 H new ATOM 0 HB2 ALA A 89 6.676 5.197 6.900 1.00 4.15 H new ATOM 0 HB3 ALA A 89 5.375 6.411 6.892 1.00 4.15 H new ATOM 1478 N ILE A 90 4.269 7.191 9.784 1.00 4.21 N ATOM 1479 CA ILE A 90 3.727 8.330 10.505 1.00 14.43 C ATOM 1480 C ILE A 90 3.931 8.158 12.010 1.00 11.12 C ATOM 1481 O ILE A 90 4.104 9.134 12.743 1.00 13.40 O ATOM 1482 CB ILE A 90 2.223 8.523 10.205 1.00 61.01 C ATOM 1483 CG1 ILE A 90 1.998 8.676 8.701 1.00 44.44 C ATOM 1484 CG2 ILE A 90 1.672 9.732 10.950 1.00 53.31 C ATOM 1485 CD1 ILE A 90 0.544 8.613 8.296 1.00 72.10 C ATOM 0 H ILE A 90 3.570 6.519 9.467 1.00 4.21 H new ATOM 0 HA ILE A 90 4.263 9.217 10.167 1.00 14.43 H new ATOM 0 HB ILE A 90 1.689 7.638 10.551 1.00 61.01 H new ATOM 0 HG12 ILE A 90 2.416 9.628 8.375 1.00 44.44 H new ATOM 0 HG13 ILE A 90 2.546 7.892 8.179 1.00 44.44 H new ATOM 0 HG21 ILE A 90 0.612 9.847 10.723 1.00 53.31 H new ATOM 0 HG22 ILE A 90 1.800 9.588 12.023 1.00 53.31 H new ATOM 0 HG23 ILE A 90 2.209 10.628 10.638 1.00 53.31 H new ATOM 0 HD11 ILE A 90 0.462 8.729 7.215 1.00 72.10 H new ATOM 0 HD12 ILE A 90 0.126 7.651 8.591 1.00 72.10 H new ATOM 0 HD13 ILE A 90 -0.006 9.414 8.790 1.00 72.10 H new ATOM 1497 N LYS A 91 3.933 6.908 12.463 1.00 13.10 N ATOM 1498 CA LYS A 91 4.039 6.615 13.887 1.00 61.12 C ATOM 1499 C LYS A 91 5.424 6.965 14.419 1.00 64.30 C ATOM 1500 O LYS A 91 5.556 7.570 15.485 1.00 41.35 O ATOM 1501 CB LYS A 91 3.745 5.138 14.161 1.00 1.25 C ATOM 1502 CG LYS A 91 2.295 4.741 13.946 1.00 25.42 C ATOM 1503 CD LYS A 91 2.045 3.311 14.398 1.00 15.10 C ATOM 1504 CE LYS A 91 0.565 2.963 14.376 1.00 35.14 C ATOM 1505 NZ LYS A 91 0.303 1.588 14.887 1.00 14.11 N ATOM 0 H LYS A 91 3.863 6.084 11.866 1.00 13.10 H new ATOM 0 HA LYS A 91 3.300 7.228 14.402 1.00 61.12 H new ATOM 0 HB2 LYS A 91 4.377 4.528 13.515 1.00 1.25 H new ATOM 0 HB3 LYS A 91 4.024 4.908 15.189 1.00 1.25 H new ATOM 0 HG2 LYS A 91 1.644 5.419 14.498 1.00 25.42 H new ATOM 0 HG3 LYS A 91 2.040 4.842 12.891 1.00 25.42 H new ATOM 0 HD2 LYS A 91 2.590 2.624 13.750 1.00 15.10 H new ATOM 0 HD3 LYS A 91 2.436 3.175 15.406 1.00 15.10 H new ATOM 0 HE2 LYS A 91 0.015 3.684 14.980 1.00 35.14 H new ATOM 0 HE3 LYS A 91 0.189 3.048 13.357 1.00 35.14 H new ATOM 0 HZ1 LYS A 91 -0.718 1.394 14.854 1.00 14.11 H new ATOM 0 HZ2 LYS A 91 0.806 0.896 14.296 1.00 14.11 H new ATOM 0 HZ3 LYS A 91 0.638 1.513 15.869 1.00 14.11 H new ATOM 1519 N LYS A 92 6.453 6.590 13.677 1.00 12.15 N ATOM 1520 CA LYS A 92 7.818 6.876 14.082 1.00 21.45 C ATOM 1521 C LYS A 92 8.736 6.862 12.869 1.00 3.20 C ATOM 1522 O LYS A 92 9.661 6.051 12.775 1.00 1.53 O ATOM 1523 CB LYS A 92 8.285 5.851 15.113 1.00 15.41 C ATOM 1524 CG LYS A 92 9.540 6.254 15.865 1.00 61.42 C ATOM 1525 CD LYS A 92 10.062 5.101 16.698 1.00 31.13 C ATOM 1526 CE LYS A 92 11.228 5.523 17.572 1.00 2.40 C ATOM 1527 NZ LYS A 92 11.872 4.361 18.232 1.00 53.31 N ATOM 0 H LYS A 92 6.369 6.088 12.793 1.00 12.15 H new ATOM 0 HA LYS A 92 7.853 7.867 14.535 1.00 21.45 H new ATOM 0 HB2 LYS A 92 7.483 5.683 15.831 1.00 15.41 H new ATOM 0 HB3 LYS A 92 8.466 4.902 14.609 1.00 15.41 H new ATOM 0 HG2 LYS A 92 10.306 6.574 15.158 1.00 61.42 H new ATOM 0 HG3 LYS A 92 9.325 7.106 16.510 1.00 61.42 H new ATOM 0 HD2 LYS A 92 9.259 4.712 17.325 1.00 31.13 H new ATOM 0 HD3 LYS A 92 10.375 4.290 16.041 1.00 31.13 H new ATOM 0 HE2 LYS A 92 11.964 6.050 16.966 1.00 2.40 H new ATOM 0 HE3 LYS A 92 10.879 6.224 18.330 1.00 2.40 H new ATOM 0 HZ1 LYS A 92 12.664 4.691 18.820 1.00 53.31 H new ATOM 0 HZ2 LYS A 92 11.176 3.872 18.831 1.00 53.31 H new ATOM 0 HZ3 LYS A 92 12.228 3.704 17.508 1.00 53.31 H new ATOM 1541 N GLY A 93 8.454 7.740 11.926 1.00 23.50 N ATOM 1542 CA GLY A 93 9.283 7.838 10.747 1.00 74.53 C ATOM 1543 C GLY A 93 9.542 9.270 10.339 1.00 55.11 C ATOM 1544 O GLY A 93 10.392 9.946 10.921 1.00 14.54 O ATOM 0 H GLY A 93 7.666 8.387 11.954 1.00 23.50 H new ATOM 0 HA2 GLY A 93 10.234 7.339 10.933 1.00 74.53 H new ATOM 0 HA3 GLY A 93 8.802 7.310 9.924 1.00 74.53 H new ATOM 1548 N TYR A 94 8.789 9.742 9.357 1.00 62.11 N ATOM 1549 CA TYR A 94 9.029 11.060 8.782 1.00 52.13 C ATOM 1550 C TYR A 94 7.728 11.679 8.277 1.00 63.51 C ATOM 1551 O TYR A 94 7.574 12.899 8.260 1.00 13.01 O ATOM 1552 CB TYR A 94 10.038 10.944 7.636 1.00 2.35 C ATOM 1553 CG TYR A 94 10.670 12.260 7.233 1.00 14.32 C ATOM 1554 CD1 TYR A 94 11.769 12.762 7.921 1.00 73.21 C ATOM 1555 CD2 TYR A 94 10.176 12.995 6.162 1.00 11.45 C ATOM 1556 CE1 TYR A 94 12.355 13.961 7.555 1.00 62.13 C ATOM 1557 CE2 TYR A 94 10.757 14.194 5.791 1.00 42.13 C ATOM 1558 CZ TYR A 94 11.846 14.672 6.489 1.00 32.45 C ATOM 1559 OH TYR A 94 12.426 15.867 6.117 1.00 13.32 O ATOM 0 H TYR A 94 8.008 9.235 8.941 1.00 62.11 H new ATOM 0 HA TYR A 94 9.434 11.710 9.557 1.00 52.13 H new ATOM 0 HB2 TYR A 94 10.826 10.250 7.929 1.00 2.35 H new ATOM 0 HB3 TYR A 94 9.538 10.512 6.769 1.00 2.35 H new ATOM 0 HD1 TYR A 94 12.172 12.207 8.755 1.00 73.21 H new ATOM 0 HD2 TYR A 94 9.325 12.624 5.611 1.00 11.45 H new ATOM 0 HE1 TYR A 94 13.207 14.338 8.102 1.00 62.13 H new ATOM 0 HE2 TYR A 94 10.359 14.754 4.958 1.00 42.13 H new ATOM 0 HH TYR A 94 11.946 16.238 5.347 1.00 13.32 H new ATOM 1569 N MET A 95 6.798 10.826 7.857 1.00 44.22 N ATOM 1570 CA MET A 95 5.503 11.279 7.372 1.00 21.14 C ATOM 1571 C MET A 95 4.738 12.000 8.473 1.00 54.34 C ATOM 1572 O MET A 95 4.560 11.461 9.566 1.00 63.50 O ATOM 1573 CB MET A 95 4.685 10.091 6.861 1.00 53.34 C ATOM 1574 CG MET A 95 5.236 9.462 5.592 1.00 30.04 C ATOM 1575 SD MET A 95 5.154 10.565 4.167 1.00 14.45 S ATOM 1576 CE MET A 95 3.380 10.794 4.007 1.00 72.32 C ATOM 0 H MET A 95 6.920 9.813 7.844 1.00 44.22 H new ATOM 0 HA MET A 95 5.670 11.976 6.551 1.00 21.14 H new ATOM 0 HB2 MET A 95 4.640 9.331 7.641 1.00 53.34 H new ATOM 0 HB3 MET A 95 3.662 10.419 6.677 1.00 53.34 H new ATOM 0 HG2 MET A 95 6.273 9.169 5.759 1.00 30.04 H new ATOM 0 HG3 MET A 95 4.679 8.551 5.372 1.00 30.04 H new ATOM 0 HE1 MET A 95 3.154 11.207 3.024 1.00 72.32 H new ATOM 0 HE2 MET A 95 2.877 9.834 4.122 1.00 72.32 H new ATOM 0 HE3 MET A 95 3.031 11.481 4.778 1.00 72.32 H new ATOM 1586 N GLU A 96 4.300 13.221 8.177 1.00 42.34 N ATOM 1587 CA GLU A 96 3.559 14.039 9.138 1.00 1.14 C ATOM 1588 C GLU A 96 2.295 13.344 9.586 1.00 64.32 C ATOM 1589 O GLU A 96 2.030 13.185 10.777 1.00 10.21 O ATOM 1590 CB GLU A 96 3.118 15.364 8.504 1.00 72.44 C ATOM 1591 CG GLU A 96 2.470 16.326 9.488 1.00 5.54 C ATOM 1592 CD GLU A 96 1.844 17.521 8.805 1.00 13.54 C ATOM 1593 OE1 GLU A 96 0.683 17.410 8.356 1.00 4.21 O ATOM 1594 OE2 GLU A 96 2.496 18.579 8.722 1.00 24.23 O ATOM 0 H GLU A 96 4.446 13.670 7.273 1.00 42.34 H new ATOM 0 HA GLU A 96 4.231 14.208 9.979 1.00 1.14 H new ATOM 0 HB2 GLU A 96 3.985 15.848 8.054 1.00 72.44 H new ATOM 0 HB3 GLU A 96 2.415 15.155 7.698 1.00 72.44 H new ATOM 0 HG2 GLU A 96 1.707 15.797 10.059 1.00 5.54 H new ATOM 0 HG3 GLU A 96 3.219 16.671 10.201 1.00 5.54 H new ATOM 1601 N ASN A 97 1.537 12.926 8.600 1.00 12.10 N ATOM 1602 CA ASN A 97 0.126 12.691 8.768 1.00 35.43 C ATOM 1603 C ASN A 97 -0.382 11.922 7.560 1.00 73.14 C ATOM 1604 O ASN A 97 0.275 11.930 6.515 1.00 61.13 O ATOM 1605 CB ASN A 97 -0.521 14.069 8.885 1.00 50.02 C ATOM 1606 CG ASN A 97 -2.009 14.063 9.085 1.00 53.33 C ATOM 1607 OD1 ASN A 97 -2.586 13.133 9.645 1.00 32.34 O ATOM 1608 ND2 ASN A 97 -2.630 15.136 8.638 1.00 50.13 N ATOM 0 H ASN A 97 1.883 12.740 7.659 1.00 12.10 H new ATOM 0 HA ASN A 97 -0.109 12.098 9.652 1.00 35.43 H new ATOM 0 HB2 ASN A 97 -0.061 14.599 9.719 1.00 50.02 H new ATOM 0 HB3 ASN A 97 -0.294 14.637 7.983 1.00 50.02 H new ATOM 0 HD21 ASN A 97 -3.640 15.224 8.750 1.00 50.13 H new ATOM 0 HD22 ASN A 97 -2.101 15.878 8.180 1.00 50.13 H new ATOM 1615 N ASP A 98 -1.510 11.241 7.681 1.00 52.33 N ATOM 1616 CA ASP A 98 -1.960 10.382 6.611 1.00 33.35 C ATOM 1617 C ASP A 98 -2.670 11.162 5.516 1.00 44.32 C ATOM 1618 O ASP A 98 -3.408 12.110 5.779 1.00 40.41 O ATOM 1619 CB ASP A 98 -2.878 9.280 7.143 1.00 41.33 C ATOM 1620 CG ASP A 98 -3.949 9.774 8.091 1.00 13.42 C ATOM 1621 OD1 ASP A 98 -3.613 10.167 9.228 1.00 22.25 O ATOM 1622 OD2 ASP A 98 -5.137 9.728 7.719 1.00 44.13 O ATOM 0 H ASP A 98 -2.119 11.268 8.499 1.00 52.33 H new ATOM 0 HA ASP A 98 -1.070 9.926 6.177 1.00 33.35 H new ATOM 0 HB2 ASP A 98 -3.356 8.781 6.300 1.00 41.33 H new ATOM 0 HB3 ASP A 98 -2.272 8.532 7.654 1.00 41.33 H new ATOM 1627 N PRO A 99 -2.441 10.754 4.261 1.00 13.25 N ATOM 1628 CA PRO A 99 -3.165 11.270 3.103 1.00 13.51 C ATOM 1629 C PRO A 99 -4.487 10.533 2.927 1.00 34.32 C ATOM 1630 O PRO A 99 -5.279 10.826 2.033 1.00 3.12 O ATOM 1631 CB PRO A 99 -2.208 10.975 1.951 1.00 1.53 C ATOM 1632 CG PRO A 99 -1.482 9.741 2.364 1.00 5.31 C ATOM 1633 CD PRO A 99 -1.415 9.764 3.870 1.00 12.31 C ATOM 0 HA PRO A 99 -3.426 12.325 3.182 1.00 13.51 H new ATOM 0 HB2 PRO A 99 -2.749 10.822 1.017 1.00 1.53 H new ATOM 0 HB3 PRO A 99 -1.519 11.803 1.788 1.00 1.53 H new ATOM 0 HG2 PRO A 99 -2.002 8.850 2.013 1.00 5.31 H new ATOM 0 HG3 PRO A 99 -0.482 9.717 1.932 1.00 5.31 H new ATOM 0 HD2 PRO A 99 -1.626 8.782 4.294 1.00 12.31 H new ATOM 0 HD3 PRO A 99 -0.425 10.056 4.221 1.00 12.31 H new ATOM 1641 N PHE A 100 -4.690 9.559 3.804 1.00 62.41 N ATOM 1642 CA PHE A 100 -5.870 8.707 3.799 1.00 74.04 C ATOM 1643 C PHE A 100 -6.922 9.277 4.746 1.00 11.50 C ATOM 1644 O PHE A 100 -7.930 8.632 5.046 1.00 13.05 O ATOM 1645 CB PHE A 100 -5.456 7.316 4.268 1.00 2.42 C ATOM 1646 CG PHE A 100 -6.317 6.190 3.759 1.00 51.31 C ATOM 1647 CD1 PHE A 100 -6.170 5.722 2.463 1.00 21.15 C ATOM 1648 CD2 PHE A 100 -7.265 5.595 4.579 1.00 55.25 C ATOM 1649 CE1 PHE A 100 -6.954 4.683 1.991 1.00 63.30 C ATOM 1650 CE2 PHE A 100 -8.050 4.555 4.115 1.00 61.12 C ATOM 1651 CZ PHE A 100 -7.893 4.097 2.818 1.00 41.32 C ATOM 0 H PHE A 100 -4.030 9.336 4.549 1.00 62.41 H new ATOM 0 HA PHE A 100 -6.293 8.656 2.796 1.00 74.04 H new ATOM 0 HB2 PHE A 100 -4.427 7.136 3.957 1.00 2.42 H new ATOM 0 HB3 PHE A 100 -5.468 7.298 5.358 1.00 2.42 H new ATOM 0 HD1 PHE A 100 -5.435 6.173 1.813 1.00 21.15 H new ATOM 0 HD2 PHE A 100 -7.391 5.948 5.592 1.00 55.25 H new ATOM 0 HE1 PHE A 100 -6.832 4.331 0.977 1.00 63.30 H new ATOM 0 HE2 PHE A 100 -8.784 4.101 4.764 1.00 61.12 H new ATOM 0 HZ PHE A 100 -8.503 3.284 2.454 1.00 41.32 H new ATOM 1661 N LYS A 101 -6.649 10.485 5.217 1.00 3.14 N ATOM 1662 CA LYS A 101 -7.475 11.185 6.177 1.00 61.33 C ATOM 1663 C LYS A 101 -8.955 11.167 5.790 1.00 21.20 C ATOM 1664 O LYS A 101 -9.807 10.776 6.589 1.00 32.54 O ATOM 1665 CB LYS A 101 -6.981 12.622 6.258 1.00 20.35 C ATOM 1666 CG LYS A 101 -6.080 12.900 7.443 1.00 71.22 C ATOM 1667 CD LYS A 101 -6.673 12.392 8.741 1.00 53.10 C ATOM 1668 CE LYS A 101 -5.658 12.507 9.853 1.00 3.15 C ATOM 1669 NZ LYS A 101 -6.173 11.982 11.144 1.00 53.33 N ATOM 0 H LYS A 101 -5.825 11.015 4.932 1.00 3.14 H new ATOM 0 HA LYS A 101 -7.395 10.684 7.141 1.00 61.33 H new ATOM 0 HB2 LYS A 101 -6.442 12.862 5.341 1.00 20.35 H new ATOM 0 HB3 LYS A 101 -7.842 13.289 6.305 1.00 20.35 H new ATOM 0 HG2 LYS A 101 -5.111 12.429 7.279 1.00 71.22 H new ATOM 0 HG3 LYS A 101 -5.904 13.973 7.521 1.00 71.22 H new ATOM 0 HD2 LYS A 101 -7.565 12.965 8.992 1.00 53.10 H new ATOM 0 HD3 LYS A 101 -6.983 11.353 8.627 1.00 53.10 H new ATOM 0 HE2 LYS A 101 -4.756 11.962 9.576 1.00 3.15 H new ATOM 0 HE3 LYS A 101 -5.374 13.552 9.976 1.00 3.15 H new ATOM 0 HZ1 LYS A 101 -5.441 12.082 11.876 1.00 53.33 H new ATOM 0 HZ2 LYS A 101 -7.019 12.518 11.424 1.00 53.33 H new ATOM 0 HZ3 LYS A 101 -6.420 10.977 11.037 1.00 53.33 H new ATOM 1683 N ASP A 102 -9.245 11.564 4.557 1.00 41.05 N ATOM 1684 CA ASP A 102 -10.629 11.691 4.091 1.00 62.04 C ATOM 1685 C ASP A 102 -11.178 10.363 3.613 1.00 30.41 C ATOM 1686 O ASP A 102 -12.390 10.185 3.500 1.00 74.20 O ATOM 1687 CB ASP A 102 -10.741 12.726 2.970 1.00 33.33 C ATOM 1688 CG ASP A 102 -11.270 14.058 3.459 1.00 51.10 C ATOM 1689 OD1 ASP A 102 -10.597 14.703 4.289 1.00 51.50 O ATOM 1690 OD2 ASP A 102 -12.357 14.476 3.007 1.00 71.34 O ATOM 0 H ASP A 102 -8.543 11.805 3.858 1.00 41.05 H new ATOM 0 HA ASP A 102 -11.222 12.026 4.942 1.00 62.04 H new ATOM 0 HB2 ASP A 102 -9.761 12.873 2.517 1.00 33.33 H new ATOM 0 HB3 ASP A 102 -11.399 12.342 2.190 1.00 33.33 H new ATOM 1695 N PHE A 103 -10.282 9.435 3.332 1.00 43.05 N ATOM 1696 CA PHE A 103 -10.684 8.098 2.928 1.00 63.44 C ATOM 1697 C PHE A 103 -11.216 7.347 4.141 1.00 12.11 C ATOM 1698 O PHE A 103 -12.065 6.464 4.022 1.00 25.51 O ATOM 1699 CB PHE A 103 -9.513 7.351 2.290 1.00 61.11 C ATOM 1700 CG PHE A 103 -9.021 7.980 1.015 1.00 43.31 C ATOM 1701 CD1 PHE A 103 -9.658 7.723 -0.189 1.00 11.53 C ATOM 1702 CD2 PHE A 103 -7.923 8.825 1.020 1.00 62.24 C ATOM 1703 CE1 PHE A 103 -9.208 8.298 -1.364 1.00 52.43 C ATOM 1704 CE2 PHE A 103 -7.469 9.402 -0.151 1.00 13.02 C ATOM 1705 CZ PHE A 103 -8.112 9.138 -1.345 1.00 42.34 C ATOM 0 H PHE A 103 -9.273 9.581 3.375 1.00 43.05 H new ATOM 0 HA PHE A 103 -11.473 8.169 2.180 1.00 63.44 H new ATOM 0 HB2 PHE A 103 -8.690 7.305 3.004 1.00 61.11 H new ATOM 0 HB3 PHE A 103 -9.816 6.324 2.086 1.00 61.11 H new ATOM 0 HD1 PHE A 103 -10.515 7.066 -0.210 1.00 11.53 H new ATOM 0 HD2 PHE A 103 -7.416 9.035 1.950 1.00 62.24 H new ATOM 0 HE1 PHE A 103 -9.713 8.090 -2.296 1.00 52.43 H new ATOM 0 HE2 PHE A 103 -6.612 10.059 -0.133 1.00 13.02 H new ATOM 0 HZ PHE A 103 -7.758 9.587 -2.261 1.00 42.34 H new ATOM 1715 N GLY A 104 -10.709 7.715 5.311 1.00 45.21 N ATOM 1716 CA GLY A 104 -11.272 7.225 6.551 1.00 65.22 C ATOM 1717 C GLY A 104 -12.438 8.090 6.983 1.00 55.13 C ATOM 1718 O GLY A 104 -13.585 7.643 6.963 1.00 54.32 O ATOM 0 H GLY A 104 -9.915 8.346 5.422 1.00 45.21 H new ATOM 0 HA2 GLY A 104 -11.604 6.194 6.424 1.00 65.22 H new ATOM 0 HA3 GLY A 104 -10.507 7.221 7.328 1.00 65.22 H new ATOM 1722 N LEU A 105 -12.123 9.336 7.341 1.00 64.31 N ATOM 1723 CA LEU A 105 -13.113 10.366 7.674 1.00 63.42 C ATOM 1724 C LEU A 105 -14.064 9.912 8.782 1.00 74.44 C ATOM 1725 O LEU A 105 -15.073 9.253 8.524 1.00 33.14 O ATOM 1726 CB LEU A 105 -13.902 10.777 6.422 1.00 51.05 C ATOM 1727 CG LEU A 105 -14.319 12.255 6.354 1.00 74.44 C ATOM 1728 CD1 LEU A 105 -14.955 12.560 5.010 1.00 75.35 C ATOM 1729 CD2 LEU A 105 -15.280 12.617 7.477 1.00 73.13 C ATOM 0 H LEU A 105 -11.160 9.664 7.409 1.00 64.31 H new ATOM 0 HA LEU A 105 -12.568 11.232 8.050 1.00 63.42 H new ATOM 0 HB2 LEU A 105 -13.299 10.548 5.543 1.00 51.05 H new ATOM 0 HB3 LEU A 105 -14.800 10.162 6.362 1.00 51.05 H new ATOM 0 HG LEU A 105 -13.419 12.859 6.473 1.00 74.44 H new ATOM 0 HD11 LEU A 105 -15.246 13.610 4.975 1.00 75.35 H new ATOM 0 HD12 LEU A 105 -14.239 12.355 4.214 1.00 75.35 H new ATOM 0 HD13 LEU A 105 -15.837 11.934 4.875 1.00 75.35 H new ATOM 0 HD21 LEU A 105 -15.553 13.669 7.397 1.00 73.13 H new ATOM 0 HD22 LEU A 105 -16.177 12.002 7.401 1.00 73.13 H new ATOM 0 HD23 LEU A 105 -14.799 12.439 8.439 1.00 73.13 H new ATOM 1741 N GLU A 106 -13.747 10.281 10.012 1.00 45.41 N ATOM 1742 CA GLU A 106 -14.588 9.927 11.143 1.00 15.45 C ATOM 1743 C GLU A 106 -15.504 11.085 11.520 1.00 43.23 C ATOM 1744 O GLU A 106 -15.047 12.206 11.750 1.00 10.32 O ATOM 1745 CB GLU A 106 -13.740 9.522 12.351 1.00 73.53 C ATOM 1746 CG GLU A 106 -14.569 9.197 13.586 1.00 53.13 C ATOM 1747 CD GLU A 106 -13.727 8.764 14.765 1.00 12.20 C ATOM 1748 OE1 GLU A 106 -13.246 9.638 15.515 1.00 22.10 O ATOM 1749 OE2 GLU A 106 -13.541 7.545 14.953 1.00 43.54 O ATOM 0 H GLU A 106 -12.917 10.823 10.252 1.00 45.41 H new ATOM 0 HA GLU A 106 -15.200 9.076 10.845 1.00 15.45 H new ATOM 0 HB2 GLU A 106 -13.137 8.653 12.088 1.00 73.53 H new ATOM 0 HB3 GLU A 106 -13.048 10.330 12.588 1.00 73.53 H new ATOM 0 HG2 GLU A 106 -15.153 10.074 13.866 1.00 53.13 H new ATOM 0 HG3 GLU A 106 -15.278 8.406 13.343 1.00 53.13 H new ATOM 1756 N HIS A 107 -16.797 10.807 11.577 1.00 52.51 N ATOM 1757 CA HIS A 107 -17.765 11.790 12.036 1.00 73.02 C ATOM 1758 C HIS A 107 -17.969 11.648 13.535 1.00 3.24 C ATOM 1759 O HIS A 107 -18.439 10.617 14.013 1.00 11.31 O ATOM 1760 CB HIS A 107 -19.096 11.637 11.299 1.00 14.43 C ATOM 1761 CG HIS A 107 -19.073 12.187 9.905 1.00 53.22 C ATOM 1762 ND1 HIS A 107 -19.505 13.457 9.598 1.00 5.25 N ATOM 1763 CD2 HIS A 107 -18.663 11.642 8.735 1.00 21.04 C ATOM 1764 CE1 HIS A 107 -19.364 13.670 8.305 1.00 24.41 C ATOM 1765 NE2 HIS A 107 -18.855 12.588 7.759 1.00 73.44 N ATOM 0 H HIS A 107 -17.200 9.909 11.311 1.00 52.51 H new ATOM 0 HA HIS A 107 -17.377 12.785 11.820 1.00 73.02 H new ATOM 0 HB2 HIS A 107 -19.362 10.581 11.260 1.00 14.43 H new ATOM 0 HB3 HIS A 107 -19.877 12.141 11.867 1.00 14.43 H new ATOM 0 HD2 HIS A 107 -18.261 10.649 8.596 1.00 21.04 H new ATOM 0 HE1 HIS A 107 -19.623 14.579 7.783 1.00 24.41 H new ATOM 0 HE2 HIS A 107 -18.638 12.470 6.769 1.00 73.44 H new ATOM 1774 N HIS A 108 -17.601 12.685 14.267 1.00 64.21 N ATOM 1775 CA HIS A 108 -17.654 12.658 15.723 1.00 34.33 C ATOM 1776 C HIS A 108 -19.086 12.815 16.217 1.00 20.24 C ATOM 1777 O HIS A 108 -19.969 13.253 15.475 1.00 34.21 O ATOM 1778 CB HIS A 108 -16.768 13.759 16.316 1.00 14.22 C ATOM 1779 CG HIS A 108 -15.297 13.530 16.124 1.00 23.31 C ATOM 1780 ND1 HIS A 108 -14.401 13.479 17.172 1.00 11.34 N ATOM 1781 CD2 HIS A 108 -14.565 13.343 14.999 1.00 43.01 C ATOM 1782 CE1 HIS A 108 -13.185 13.273 16.700 1.00 32.14 C ATOM 1783 NE2 HIS A 108 -13.258 13.187 15.385 1.00 42.11 N ATOM 0 H HIS A 108 -17.260 13.563 13.876 1.00 64.21 H new ATOM 0 HA HIS A 108 -17.279 11.690 16.055 1.00 34.33 H new ATOM 0 HB2 HIS A 108 -17.039 14.712 15.862 1.00 14.22 H new ATOM 0 HB3 HIS A 108 -16.976 13.843 17.383 1.00 14.22 H new ATOM 0 HD2 HIS A 108 -14.941 13.321 13.987 1.00 43.01 H new ATOM 0 HE1 HIS A 108 -12.284 13.189 17.290 1.00 32.14 H new ATOM 0 HE2 HIS A 108 -12.470 13.030 14.757 1.00 42.11 H new ATOM 1792 N HIS A 109 -19.311 12.452 17.469 1.00 52.51 N ATOM 1793 CA HIS A 109 -20.632 12.534 18.069 1.00 52.34 C ATOM 1794 C HIS A 109 -20.649 13.638 19.117 1.00 53.22 C ATOM 1795 O HIS A 109 -19.861 13.605 20.061 1.00 63.32 O ATOM 1796 CB HIS A 109 -20.995 11.187 18.704 1.00 12.25 C ATOM 1797 CG HIS A 109 -22.420 11.082 19.158 1.00 74.13 C ATOM 1798 ND1 HIS A 109 -22.796 11.041 20.485 1.00 24.20 N ATOM 1799 CD2 HIS A 109 -23.565 10.989 18.445 1.00 52.41 C ATOM 1800 CE1 HIS A 109 -24.108 10.929 20.563 1.00 13.33 C ATOM 1801 NE2 HIS A 109 -24.601 10.894 19.341 1.00 52.21 N ATOM 0 H HIS A 109 -18.589 12.095 18.094 1.00 52.51 H new ATOM 0 HA HIS A 109 -21.369 12.768 17.300 1.00 52.34 H new ATOM 0 HB2 HIS A 109 -20.796 10.394 17.983 1.00 12.25 H new ATOM 0 HB3 HIS A 109 -20.340 11.013 19.558 1.00 12.25 H new ATOM 0 HD2 HIS A 109 -23.649 10.989 17.368 1.00 52.41 H new ATOM 0 HE1 HIS A 109 -24.683 10.875 21.476 1.00 13.33 H new ATOM 0 HE2 HIS A 109 -25.589 10.810 19.101 1.00 52.21 H new ATOM 1810 N HIS A 110 -21.532 14.617 18.951 1.00 70.42 N ATOM 1811 CA HIS A 110 -21.562 15.760 19.861 1.00 24.41 C ATOM 1812 C HIS A 110 -22.032 15.336 21.251 1.00 24.11 C ATOM 1813 O HIS A 110 -23.014 14.602 21.394 1.00 11.24 O ATOM 1814 CB HIS A 110 -22.436 16.909 19.311 1.00 62.21 C ATOM 1815 CG HIS A 110 -23.924 16.714 19.440 1.00 15.31 C ATOM 1816 ND1 HIS A 110 -24.707 17.441 20.315 1.00 23.10 N ATOM 1817 CD2 HIS A 110 -24.775 15.890 18.783 1.00 14.40 C ATOM 1818 CE1 HIS A 110 -25.966 17.069 20.190 1.00 14.23 C ATOM 1819 NE2 HIS A 110 -26.037 16.132 19.266 1.00 5.13 N ATOM 0 H HIS A 110 -22.228 14.645 18.206 1.00 70.42 H new ATOM 0 HA HIS A 110 -20.543 16.138 19.943 1.00 24.41 H new ATOM 0 HB2 HIS A 110 -22.162 17.829 19.827 1.00 62.21 H new ATOM 0 HB3 HIS A 110 -22.196 17.051 18.257 1.00 62.21 H new ATOM 0 HD1 HIS A 110 -24.365 18.155 20.958 1.00 23.10 H new ATOM 0 HD2 HIS A 110 -24.509 15.174 18.019 1.00 14.40 H new ATOM 0 HE1 HIS A 110 -26.799 17.466 20.751 1.00 14.23 H new ATOM 1828 N HIS A 111 -21.308 15.785 22.263 1.00 31.14 N ATOM 1829 CA HIS A 111 -21.655 15.499 23.647 1.00 74.30 C ATOM 1830 C HIS A 111 -22.793 16.412 24.077 1.00 50.15 C ATOM 1831 O HIS A 111 -23.816 15.955 24.588 1.00 44.05 O ATOM 1832 CB HIS A 111 -20.426 15.697 24.545 1.00 0.43 C ATOM 1833 CG HIS A 111 -20.665 15.431 26.002 1.00 1.11 C ATOM 1834 ND1 HIS A 111 -20.415 14.217 26.598 1.00 64.31 N ATOM 1835 CD2 HIS A 111 -21.104 16.246 26.989 1.00 72.50 C ATOM 1836 CE1 HIS A 111 -20.687 14.297 27.888 1.00 22.33 C ATOM 1837 NE2 HIS A 111 -21.107 15.520 28.150 1.00 60.51 N ATOM 0 H HIS A 111 -20.469 16.354 22.151 1.00 31.14 H new ATOM 0 HA HIS A 111 -21.981 14.463 23.740 1.00 74.30 H new ATOM 0 HB2 HIS A 111 -19.628 15.041 24.196 1.00 0.43 H new ATOM 0 HB3 HIS A 111 -20.070 16.721 24.430 1.00 0.43 H new ATOM 0 HD2 HIS A 111 -21.398 17.280 26.881 1.00 72.50 H new ATOM 0 HE1 HIS A 111 -20.583 13.497 28.606 1.00 22.33 H new ATOM 0 HE2 HIS A 111 -21.388 15.868 29.067 1.00 60.51 H new ATOM 1846 N HIS A 112 -22.606 17.701 23.849 1.00 21.24 N ATOM 1847 CA HIS A 112 -23.634 18.688 24.119 1.00 2.43 C ATOM 1848 C HIS A 112 -23.639 19.716 22.996 1.00 35.34 C ATOM 1849 O HIS A 112 -22.969 20.759 23.137 1.00 37.49 O ATOM 1850 CB HIS A 112 -23.393 19.372 25.472 1.00 10.44 C ATOM 1851 CG HIS A 112 -24.506 20.285 25.893 1.00 31.31 C ATOM 1852 ND1 HIS A 112 -24.446 21.656 25.773 1.00 32.04 N ATOM 1853 CD2 HIS A 112 -25.711 20.014 26.448 1.00 75.24 C ATOM 1854 CE1 HIS A 112 -25.561 22.187 26.237 1.00 14.31 C ATOM 1855 NE2 HIS A 112 -26.347 21.213 26.654 1.00 50.23 N ATOM 1856 OXT HIS A 112 -24.277 19.452 21.960 1.00 37.49 O ATOM 0 H HIS A 112 -21.741 18.090 23.473 1.00 21.24 H new ATOM 0 HA HIS A 112 -24.604 18.193 24.167 1.00 2.43 H new ATOM 0 HB2 HIS A 112 -23.254 18.607 26.236 1.00 10.44 H new ATOM 0 HB3 HIS A 112 -22.466 19.943 25.420 1.00 10.44 H new ATOM 0 HD2 HIS A 112 -26.100 19.035 26.685 1.00 75.24 H new ATOM 0 HE1 HIS A 112 -25.792 23.242 26.270 1.00 14.31 H new ATOM 0 HE2 HIS A 112 -27.274 21.331 27.062 1.00 50.23 H new TER 1865 HIS A 112