USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1221 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 NoAdj-H: A 125 HIS HD1 : A 125 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 146 HIS HD1 : A 146 HIS ND1 : A 202 ZNZN :(H bumps) USER MOD Set 1.1: A 155 GLN : amide:sc= 0.772 X(o=1.6,f=1.4) USER MOD Set 1.2: A 157 ASN : amide:sc= 0.857 X(o=1.6,f=1.4) USER MOD Set 2.1: A 111 GLN : amide:sc= 1 K(o=1.8,f=0.92) USER MOD Set 2.2: A 114 THR OG1 : rot -67:sc= 0.778 USER MOD Set 3.1: A 12 GLN : amide:sc= 2.02 K(o=-6.3,f=-14!) USER MOD Set 3.2: A 52 ASN : amide:sc= -4.57! C(o=-6.3!,f=-11!) USER MOD Set 3.3: A 55 CYS SG : rot -20:sc= -3.75! USER MOD Set 4.1: A 1 MET CE :methyl -144:sc= -0.136 (180deg=-0.677) USER MOD Set 4.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.0153 (180deg=-0.104) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -160:sc= -0.606 USER MOD Single : A 6 SER OG : rot 120:sc= -1.49! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot -145:sc= 0.729 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -109:sc= 1.21 USER MOD Single : A 33 GLN : amide:sc= -0.736 K(o=-0.74,f=-1.9) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.19) USER MOD Single : A 50 ASN : amide:sc= -2.09 K(o=-2.1,f=-6.1!) USER MOD Single : A 56 LYS NZ :NH3+ 149:sc= 2.39 (180deg=1.31) USER MOD Single : A 57 THR OG1 : rot 97:sc= 1.21 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A 71 MET CE :methyl -120:sc= -1.29 (180deg=-1.32) USER MOD Single : A 72 MET CE :methyl 160:sc= -0.0557 (180deg=-0.448) USER MOD Single : A 73 THR OG1 : rot 84:sc= 0.98 USER MOD Single : A 75 CYS SG : rot 85:sc= -4.67! USER MOD Single : A 76 GLN : amide:sc= 1.18 K(o=1.2,f=-0.024) USER MOD Single : A 83 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-1) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= 0.948 (180deg=0.166) USER MOD Single : A 92 MET CE :methyl 161:sc= -0.127 (180deg=-0.597) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.971 K(o=0.97,f=-0.94) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 100 THR OG1 : rot 160:sc= 0.0482 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 162:sc= -1.33 (180deg=-1.52) USER MOD Single : A 107 ASN : amide:sc= 0.919 K(o=0.92,f=-4.8!) USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 113 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.044) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.3) USER MOD Single : A 122 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.2) USER MOD Single : A 128 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0324) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 GLN : amide:sc= -0.886 K(o=-0.89,f=-1.6) USER MOD Single : A 148 MET CE :methyl 179:sc= -0.988 (180deg=-0.997) USER MOD Single : A 149 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0667) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.443 2.516 -23.891 1.00 20.39 N ATOM 2 CA MET A 1 27.096 2.613 -23.281 1.00 19.96 C ATOM 3 C MET A 1 27.226 2.719 -21.772 1.00 19.35 C ATOM 4 O MET A 1 28.206 2.250 -21.197 1.00 19.23 O ATOM 5 CB MET A 1 26.252 1.386 -23.638 1.00 20.24 C ATOM 6 CG MET A 1 26.045 1.192 -25.131 1.00 20.56 C ATOM 7 SD MET A 1 24.980 -0.213 -25.514 1.00 20.81 S ATOM 8 CE MET A 1 25.892 -1.557 -24.753 1.00 20.97 C ATOM 0 H1 MET A 1 28.520 3.198 -24.672 1.00 20.39 H new ATOM 0 H2 MET A 1 29.165 2.728 -23.173 1.00 20.39 H new ATOM 0 H3 MET A 1 28.590 1.553 -24.256 1.00 20.39 H new ATOM 0 HA MET A 1 26.601 3.502 -23.671 1.00 19.96 H new ATOM 0 HB2 MET A 1 26.731 0.496 -23.229 1.00 20.24 H new ATOM 0 HB3 MET A 1 25.279 1.474 -23.155 1.00 20.24 H new ATOM 0 HG2 MET A 1 25.609 2.098 -25.553 1.00 20.56 H new ATOM 0 HG3 MET A 1 27.013 1.050 -25.612 1.00 20.56 H new ATOM 0 HE1 MET A 1 25.795 -2.454 -25.364 1.00 20.97 H new ATOM 0 HE2 MET A 1 26.944 -1.284 -24.674 1.00 20.97 H new ATOM 0 HE3 MET A 1 25.492 -1.751 -23.758 1.00 20.97 H new ATOM 20 N TYR A 2 26.236 3.327 -21.128 1.00 19.08 N ATOM 21 CA TYR A 2 26.282 3.529 -19.682 1.00 18.61 C ATOM 22 C TYR A 2 25.694 2.335 -18.932 1.00 17.62 C ATOM 23 O TYR A 2 25.332 2.442 -17.759 1.00 17.34 O ATOM 24 CB TYR A 2 25.552 4.822 -19.287 1.00 19.12 C ATOM 25 CG TYR A 2 24.094 4.880 -19.700 1.00 19.80 C ATOM 26 CD1 TYR A 2 23.102 4.326 -18.899 1.00 19.93 C ATOM 27 CD2 TYR A 2 23.710 5.502 -20.880 1.00 20.43 C ATOM 28 CE1 TYR A 2 21.771 4.389 -19.264 1.00 20.67 C ATOM 29 CE2 TYR A 2 22.380 5.567 -21.253 1.00 21.16 C ATOM 30 CZ TYR A 2 21.417 5.010 -20.441 1.00 21.27 C ATOM 31 OH TYR A 2 20.091 5.079 -20.807 1.00 22.10 O ATOM 0 H TYR A 2 25.396 3.687 -21.580 1.00 19.08 H new ATOM 0 HA TYR A 2 27.330 3.621 -19.398 1.00 18.61 H new ATOM 0 HB2 TYR A 2 25.614 4.942 -18.205 1.00 19.12 H new ATOM 0 HB3 TYR A 2 26.075 5.669 -19.732 1.00 19.12 H new ATOM 0 HD1 TYR A 2 23.377 3.838 -17.975 1.00 19.93 H new ATOM 0 HD2 TYR A 2 24.462 5.942 -21.517 1.00 20.43 H new ATOM 0 HE1 TYR A 2 21.013 3.954 -18.630 1.00 20.67 H new ATOM 0 HE2 TYR A 2 22.098 6.052 -22.176 1.00 21.16 H new ATOM 0 HH TYR A 2 20.012 5.550 -21.663 1.00 22.10 H new ATOM 41 N SER A 3 25.608 1.201 -19.610 1.00 17.23 N ATOM 42 CA SER A 3 25.075 -0.013 -19.013 1.00 16.40 C ATOM 43 C SER A 3 25.920 -0.471 -17.811 1.00 15.74 C ATOM 44 O SER A 3 25.378 -0.661 -16.721 1.00 15.62 O ATOM 45 CB SER A 3 24.966 -1.117 -20.069 1.00 16.48 C ATOM 46 OG SER A 3 24.342 -0.625 -21.246 1.00 16.86 O ATOM 0 H SER A 3 25.903 1.096 -20.581 1.00 17.23 H new ATOM 0 HA SER A 3 24.076 0.204 -18.635 1.00 16.40 H new ATOM 0 HB2 SER A 3 25.959 -1.497 -20.309 1.00 16.48 H new ATOM 0 HB3 SER A 3 24.393 -1.954 -19.670 1.00 16.48 H new ATOM 0 HG SER A 3 24.283 -1.344 -21.910 1.00 16.86 H new ATOM 52 N PRO A 4 27.260 -0.630 -17.950 1.00 15.46 N ATOM 53 CA PRO A 4 28.102 -1.047 -16.832 1.00 15.00 C ATOM 54 C PRO A 4 28.515 0.121 -15.947 1.00 14.24 C ATOM 55 O PRO A 4 29.457 0.028 -15.162 1.00 13.43 O ATOM 56 CB PRO A 4 29.314 -1.659 -17.526 1.00 15.20 C ATOM 57 CG PRO A 4 29.457 -0.871 -18.783 1.00 15.47 C ATOM 58 CD PRO A 4 28.065 -0.436 -19.182 1.00 15.76 C ATOM 0 HA PRO A 4 27.587 -1.732 -16.159 1.00 15.00 H new ATOM 0 HB2 PRO A 4 30.207 -1.584 -16.906 1.00 15.20 H new ATOM 0 HB3 PRO A 4 29.160 -2.717 -17.736 1.00 15.20 H new ATOM 0 HG2 PRO A 4 30.103 -0.007 -18.627 1.00 15.47 H new ATOM 0 HG3 PRO A 4 29.914 -1.473 -19.568 1.00 15.47 H new ATOM 0 HD2 PRO A 4 28.050 0.604 -19.509 1.00 15.76 H new ATOM 0 HD3 PRO A 4 27.681 -1.035 -20.008 1.00 15.76 H new ATOM 66 N THR A 5 27.784 1.207 -16.068 1.00 14.65 N ATOM 67 CA THR A 5 28.048 2.400 -15.283 1.00 14.22 C ATOM 68 C THR A 5 27.213 2.384 -14.007 1.00 13.17 C ATOM 69 O THR A 5 27.546 3.033 -13.016 1.00 12.56 O ATOM 70 CB THR A 5 27.742 3.671 -16.093 1.00 15.22 C ATOM 71 OG1 THR A 5 28.409 3.607 -17.360 1.00 15.79 O ATOM 72 CG2 THR A 5 28.196 4.913 -15.345 1.00 15.33 C ATOM 0 H THR A 5 26.994 1.292 -16.708 1.00 14.65 H new ATOM 0 HA THR A 5 29.106 2.406 -15.020 1.00 14.22 H new ATOM 0 HB THR A 5 26.664 3.731 -16.244 1.00 15.22 H new ATOM 0 HG1 THR A 5 28.485 4.509 -17.736 1.00 15.79 H new ATOM 0 HG21 THR A 5 27.969 5.799 -15.938 1.00 15.33 H new ATOM 0 HG22 THR A 5 27.675 4.973 -14.389 1.00 15.33 H new ATOM 0 HG23 THR A 5 29.271 4.860 -15.170 1.00 15.33 H new ATOM 80 N SER A 6 26.140 1.605 -14.032 1.00 13.06 N ATOM 81 CA SER A 6 25.272 1.454 -12.872 1.00 12.17 C ATOM 82 C SER A 6 26.037 0.807 -11.718 1.00 11.07 C ATOM 83 O SER A 6 25.630 0.889 -10.559 1.00 10.23 O ATOM 84 CB SER A 6 24.047 0.612 -13.247 1.00 12.55 C ATOM 85 OG SER A 6 23.093 0.576 -12.199 1.00 13.32 O ATOM 0 H SER A 6 25.849 1.065 -14.847 1.00 13.06 H new ATOM 0 HA SER A 6 24.935 2.439 -12.548 1.00 12.17 H new ATOM 0 HB2 SER A 6 23.585 1.022 -14.145 1.00 12.55 H new ATOM 0 HB3 SER A 6 24.363 -0.403 -13.486 1.00 12.55 H new ATOM 0 HG SER A 6 22.245 0.951 -12.516 1.00 13.32 H new ATOM 91 N ILE A 7 27.167 0.189 -12.053 1.00 11.18 N ATOM 92 CA ILE A 7 27.992 -0.507 -11.075 1.00 10.37 C ATOM 93 C ILE A 7 28.705 0.491 -10.157 1.00 9.98 C ATOM 94 O ILE A 7 28.873 0.239 -8.966 1.00 9.20 O ATOM 95 CB ILE A 7 29.031 -1.413 -11.773 1.00 10.88 C ATOM 96 CG1 ILE A 7 28.327 -2.411 -12.700 1.00 11.65 C ATOM 97 CG2 ILE A 7 29.881 -2.151 -10.745 1.00 10.56 C ATOM 98 CD1 ILE A 7 29.276 -3.288 -13.490 1.00 12.15 C ATOM 0 H ILE A 7 27.533 0.158 -13.005 1.00 11.18 H new ATOM 0 HA ILE A 7 27.334 -1.132 -10.472 1.00 10.37 H new ATOM 0 HB ILE A 7 29.690 -0.783 -12.371 1.00 10.88 H new ATOM 0 HG12 ILE A 7 27.672 -3.046 -12.104 1.00 11.65 H new ATOM 0 HG13 ILE A 7 27.692 -1.861 -13.395 1.00 11.65 H new ATOM 0 HG21 ILE A 7 30.606 -2.783 -11.258 1.00 10.56 H new ATOM 0 HG22 ILE A 7 30.407 -1.428 -10.122 1.00 10.56 H new ATOM 0 HG23 ILE A 7 29.239 -2.770 -10.119 1.00 10.56 H new ATOM 0 HD11 ILE A 7 28.703 -3.967 -14.122 1.00 12.15 H new ATOM 0 HD12 ILE A 7 29.915 -2.663 -14.114 1.00 12.15 H new ATOM 0 HD13 ILE A 7 29.894 -3.866 -12.803 1.00 12.15 H new ATOM 110 N LEU A 8 29.129 1.620 -10.712 1.00 10.74 N ATOM 111 CA LEU A 8 29.736 2.673 -9.909 1.00 10.77 C ATOM 112 C LEU A 8 28.657 3.561 -9.301 1.00 10.46 C ATOM 113 O LEU A 8 28.890 4.277 -8.328 1.00 10.30 O ATOM 114 CB LEU A 8 30.739 3.491 -10.742 1.00 11.94 C ATOM 115 CG LEU A 8 30.203 4.187 -12.003 1.00 12.47 C ATOM 116 CD1 LEU A 8 29.496 5.492 -11.661 1.00 12.44 C ATOM 117 CD2 LEU A 8 31.337 4.442 -12.983 1.00 13.09 C ATOM 0 H LEU A 8 29.064 1.829 -11.708 1.00 10.74 H new ATOM 0 HA LEU A 8 30.293 2.212 -9.093 1.00 10.77 H new ATOM 0 HB2 LEU A 8 31.173 4.253 -10.095 1.00 11.94 H new ATOM 0 HB3 LEU A 8 31.550 2.827 -11.042 1.00 11.94 H new ATOM 0 HG LEU A 8 29.472 3.525 -12.467 1.00 12.47 H new ATOM 0 HD11 LEU A 8 29.129 5.958 -12.576 1.00 12.44 H new ATOM 0 HD12 LEU A 8 28.657 5.288 -10.996 1.00 12.44 H new ATOM 0 HD13 LEU A 8 30.195 6.166 -11.166 1.00 12.44 H new ATOM 0 HD21 LEU A 8 30.945 4.935 -13.872 1.00 13.09 H new ATOM 0 HD22 LEU A 8 32.086 5.080 -12.514 1.00 13.09 H new ATOM 0 HD23 LEU A 8 31.794 3.494 -13.266 1.00 13.09 H new ATOM 129 N ASP A 9 27.467 3.490 -9.878 1.00 10.57 N ATOM 130 CA ASP A 9 26.348 4.338 -9.471 1.00 10.51 C ATOM 131 C ASP A 9 25.501 3.634 -8.413 1.00 9.48 C ATOM 132 O ASP A 9 24.304 3.879 -8.276 1.00 9.50 O ATOM 133 CB ASP A 9 25.494 4.729 -10.683 1.00 11.48 C ATOM 134 CG ASP A 9 24.490 5.827 -10.366 1.00 12.16 C ATOM 135 OD1 ASP A 9 23.271 5.568 -10.450 1.00 12.46 O ATOM 136 OD2 ASP A 9 24.917 6.948 -10.011 1.00 12.54 O ATOM 0 H ASP A 9 27.246 2.847 -10.639 1.00 10.57 H new ATOM 0 HA ASP A 9 26.750 5.252 -9.034 1.00 10.51 H new ATOM 0 HB2 ASP A 9 26.147 5.062 -11.490 1.00 11.48 H new ATOM 0 HB3 ASP A 9 24.962 3.850 -11.046 1.00 11.48 H new ATOM 141 N ILE A 10 26.140 2.744 -7.669 1.00 8.74 N ATOM 142 CA ILE A 10 25.486 2.004 -6.591 1.00 7.86 C ATOM 143 C ILE A 10 25.252 2.884 -5.361 1.00 7.43 C ATOM 144 O ILE A 10 25.078 2.390 -4.249 1.00 6.73 O ATOM 145 CB ILE A 10 26.330 0.781 -6.190 1.00 7.25 C ATOM 146 CG1 ILE A 10 27.769 1.219 -5.888 1.00 7.42 C ATOM 147 CG2 ILE A 10 26.289 -0.268 -7.293 1.00 7.55 C ATOM 148 CD1 ILE A 10 28.738 0.073 -5.709 1.00 7.84 C ATOM 0 H ILE A 10 27.126 2.512 -7.792 1.00 8.74 H new ATOM 0 HA ILE A 10 24.517 1.675 -6.967 1.00 7.86 H new ATOM 0 HB ILE A 10 25.915 0.333 -5.287 1.00 7.25 H new ATOM 0 HG12 ILE A 10 28.122 1.855 -6.700 1.00 7.42 H new ATOM 0 HG13 ILE A 10 27.770 1.826 -4.983 1.00 7.42 H new ATOM 0 HG21 ILE A 10 26.889 -1.129 -6.999 1.00 7.55 H new ATOM 0 HG22 ILE A 10 25.259 -0.583 -7.457 1.00 7.55 H new ATOM 0 HG23 ILE A 10 26.690 0.156 -8.214 1.00 7.55 H new ATOM 0 HD11 ILE A 10 29.732 0.467 -5.499 1.00 7.84 H new ATOM 0 HD12 ILE A 10 28.412 -0.552 -4.878 1.00 7.84 H new ATOM 0 HD13 ILE A 10 28.769 -0.523 -6.621 1.00 7.84 H new ATOM 160 N ARG A 11 25.257 4.188 -5.581 1.00 8.07 N ATOM 161 CA ARG A 11 24.994 5.162 -4.534 1.00 7.96 C ATOM 162 C ARG A 11 23.510 5.493 -4.507 1.00 7.79 C ATOM 163 O ARG A 11 22.770 5.102 -5.408 1.00 8.29 O ATOM 164 CB ARG A 11 25.779 6.444 -4.809 1.00 9.08 C ATOM 165 CG ARG A 11 25.391 7.097 -6.125 1.00 9.98 C ATOM 166 CD ARG A 11 25.929 8.509 -6.240 1.00 10.66 C ATOM 167 NE ARG A 11 25.551 9.120 -7.513 1.00 11.50 N ATOM 168 CZ ARG A 11 25.144 10.383 -7.647 1.00 12.34 C ATOM 169 NH1 ARG A 11 25.015 11.166 -6.579 1.00 12.46 N ATOM 170 NH2 ARG A 11 24.842 10.857 -8.850 1.00 13.19 N ATOM 0 H ARG A 11 25.444 4.603 -6.494 1.00 8.07 H new ATOM 0 HA ARG A 11 25.300 4.742 -3.576 1.00 7.96 H new ATOM 0 HB2 ARG A 11 25.612 7.149 -3.995 1.00 9.08 H new ATOM 0 HB3 ARG A 11 26.845 6.217 -4.821 1.00 9.08 H new ATOM 0 HG2 ARG A 11 25.769 6.497 -6.953 1.00 9.98 H new ATOM 0 HG3 ARG A 11 24.305 7.115 -6.214 1.00 9.98 H new ATOM 0 HD2 ARG A 11 25.548 9.114 -5.417 1.00 10.66 H new ATOM 0 HD3 ARG A 11 27.015 8.495 -6.149 1.00 10.66 H new ATOM 0 HE ARG A 11 25.602 8.543 -8.353 1.00 11.50 H new ATOM 0 HH11 ARG A 11 25.228 10.801 -5.651 1.00 12.46 H new ATOM 0 HH12 ARG A 11 24.703 12.131 -6.689 1.00 12.46 H new ATOM 0 HH21 ARG A 11 24.921 10.255 -9.670 1.00 13.19 H new ATOM 0 HH22 ARG A 11 24.531 11.823 -8.954 1.00 13.19 H new ATOM 184 N GLN A 12 23.083 6.225 -3.492 1.00 7.29 N ATOM 185 CA GLN A 12 21.707 6.681 -3.420 1.00 7.16 C ATOM 186 C GLN A 12 21.626 8.159 -3.767 1.00 7.82 C ATOM 187 O GLN A 12 22.259 8.996 -3.119 1.00 8.10 O ATOM 188 CB GLN A 12 21.120 6.457 -2.027 1.00 6.33 C ATOM 189 CG GLN A 12 19.695 6.973 -1.892 1.00 6.44 C ATOM 190 CD GLN A 12 19.154 6.872 -0.482 1.00 6.33 C ATOM 191 OE1 GLN A 12 19.906 6.896 0.491 1.00 6.37 O ATOM 192 NE2 GLN A 12 17.840 6.797 -0.367 1.00 6.60 N ATOM 0 H GLN A 12 23.668 6.515 -2.709 1.00 7.29 H new ATOM 0 HA GLN A 12 21.128 6.101 -4.139 1.00 7.16 H new ATOM 0 HB2 GLN A 12 21.138 5.391 -1.798 1.00 6.33 H new ATOM 0 HB3 GLN A 12 21.751 6.952 -1.289 1.00 6.33 H new ATOM 0 HG2 GLN A 12 19.661 8.014 -2.213 1.00 6.44 H new ATOM 0 HG3 GLN A 12 19.047 6.410 -2.564 1.00 6.44 H new ATOM 0 HE21 GLN A 12 17.255 6.780 -1.202 1.00 6.60 H new ATOM 0 HE22 GLN A 12 17.410 6.756 0.557 1.00 6.60 H new ATOM 201 N GLY A 13 20.869 8.471 -4.807 1.00 8.30 N ATOM 202 CA GLY A 13 20.601 9.854 -5.138 1.00 9.01 C ATOM 203 C GLY A 13 19.645 10.497 -4.146 1.00 8.63 C ATOM 204 O GLY A 13 19.037 9.797 -3.334 1.00 7.84 O ATOM 0 H GLY A 13 20.434 7.789 -5.429 1.00 8.30 H new ATOM 0 HA2 GLY A 13 21.537 10.412 -5.154 1.00 9.01 H new ATOM 0 HA3 GLY A 13 20.178 9.912 -6.141 1.00 9.01 H new ATOM 208 N PRO A 14 19.469 11.826 -4.205 1.00 9.33 N ATOM 209 CA PRO A 14 18.650 12.577 -3.238 1.00 9.17 C ATOM 210 C PRO A 14 17.211 12.070 -3.120 1.00 8.90 C ATOM 211 O PRO A 14 16.618 12.119 -2.045 1.00 8.50 O ATOM 212 CB PRO A 14 18.661 14.011 -3.784 1.00 10.25 C ATOM 213 CG PRO A 14 19.139 13.897 -5.192 1.00 10.91 C ATOM 214 CD PRO A 14 20.058 12.712 -5.217 1.00 10.46 C ATOM 0 HA PRO A 14 19.056 12.476 -2.231 1.00 9.17 H new ATOM 0 HB2 PRO A 14 17.666 14.455 -3.742 1.00 10.25 H new ATOM 0 HB3 PRO A 14 19.320 14.650 -3.196 1.00 10.25 H new ATOM 0 HG2 PRO A 14 18.304 13.759 -5.878 1.00 10.91 H new ATOM 0 HG3 PRO A 14 19.660 14.803 -5.503 1.00 10.91 H new ATOM 0 HD2 PRO A 14 20.086 12.242 -6.200 1.00 10.46 H new ATOM 0 HD3 PRO A 14 21.082 12.988 -4.967 1.00 10.46 H new ATOM 222 N LYS A 15 16.650 11.587 -4.220 1.00 9.36 N ATOM 223 CA LYS A 15 15.269 11.116 -4.215 1.00 9.53 C ATOM 224 C LYS A 15 15.199 9.640 -4.576 1.00 9.20 C ATOM 225 O LYS A 15 14.119 9.093 -4.804 1.00 9.66 O ATOM 226 CB LYS A 15 14.427 11.929 -5.196 1.00 10.67 C ATOM 227 CG LYS A 15 14.884 11.802 -6.639 1.00 11.41 C ATOM 228 CD LYS A 15 13.995 12.599 -7.574 1.00 12.05 C ATOM 229 CE LYS A 15 12.565 12.074 -7.578 1.00 12.96 C ATOM 230 NZ LYS A 15 11.674 12.886 -8.446 1.00 13.55 N ATOM 0 H LYS A 15 17.123 11.511 -5.120 1.00 9.36 H new ATOM 0 HA LYS A 15 14.871 11.247 -3.209 1.00 9.53 H new ATOM 0 HB2 LYS A 15 13.388 11.608 -5.123 1.00 10.67 H new ATOM 0 HB3 LYS A 15 14.457 12.979 -4.905 1.00 10.67 H new ATOM 0 HG2 LYS A 15 15.913 12.150 -6.728 1.00 11.41 H new ATOM 0 HG3 LYS A 15 14.876 10.753 -6.934 1.00 11.41 H new ATOM 0 HD2 LYS A 15 13.997 13.647 -7.273 1.00 12.05 H new ATOM 0 HD3 LYS A 15 14.401 12.557 -8.585 1.00 12.05 H new ATOM 0 HE2 LYS A 15 12.560 11.039 -7.921 1.00 12.96 H new ATOM 0 HE3 LYS A 15 12.176 12.074 -6.560 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 10.711 12.494 -8.419 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 11.657 13.868 -8.104 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 12.029 12.866 -9.423 1.00 13.55 H new ATOM 244 N GLU A 16 16.353 9.010 -4.634 1.00 8.57 N ATOM 245 CA GLU A 16 16.454 7.616 -5.035 1.00 8.39 C ATOM 246 C GLU A 16 15.986 6.691 -3.911 1.00 7.72 C ATOM 247 O GLU A 16 16.458 6.791 -2.778 1.00 6.94 O ATOM 248 CB GLU A 16 17.898 7.306 -5.416 1.00 8.10 C ATOM 249 CG GLU A 16 18.078 5.990 -6.142 1.00 8.26 C ATOM 250 CD GLU A 16 19.212 6.044 -7.144 1.00 9.36 C ATOM 251 OE1 GLU A 16 20.365 6.261 -6.720 1.00 9.85 O ATOM 252 OE2 GLU A 16 18.967 5.865 -8.351 1.00 9.91 O ATOM 0 H GLU A 16 17.247 9.445 -4.406 1.00 8.57 H new ATOM 0 HA GLU A 16 15.808 7.446 -5.896 1.00 8.39 H new ATOM 0 HB2 GLU A 16 18.277 8.111 -6.046 1.00 8.10 H new ATOM 0 HB3 GLU A 16 18.507 7.296 -4.512 1.00 8.10 H new ATOM 0 HG2 GLU A 16 18.273 5.200 -5.417 1.00 8.26 H new ATOM 0 HG3 GLU A 16 17.153 5.730 -6.656 1.00 8.26 H new ATOM 259 N PRO A 17 15.034 5.785 -4.203 1.00 8.28 N ATOM 260 CA PRO A 17 14.514 4.845 -3.211 1.00 8.07 C ATOM 261 C PRO A 17 15.561 3.828 -2.763 1.00 7.31 C ATOM 262 O PRO A 17 16.336 3.333 -3.582 1.00 7.39 O ATOM 263 CB PRO A 17 13.360 4.134 -3.932 1.00 9.21 C ATOM 264 CG PRO A 17 13.084 4.952 -5.149 1.00 9.95 C ATOM 265 CD PRO A 17 14.383 5.614 -5.510 1.00 9.45 C ATOM 0 HA PRO A 17 14.206 5.362 -2.302 1.00 8.07 H new ATOM 0 HB2 PRO A 17 13.634 3.113 -4.199 1.00 9.21 H new ATOM 0 HB3 PRO A 17 12.479 4.071 -3.294 1.00 9.21 H new ATOM 0 HG2 PRO A 17 12.725 4.326 -5.966 1.00 9.95 H new ATOM 0 HG3 PRO A 17 12.310 5.694 -4.953 1.00 9.95 H new ATOM 0 HD2 PRO A 17 14.979 4.996 -6.181 1.00 9.45 H new ATOM 0 HD3 PRO A 17 14.225 6.569 -6.012 1.00 9.45 H new ATOM 273 N PHE A 18 15.587 3.534 -1.468 1.00 6.75 N ATOM 274 CA PHE A 18 16.582 2.625 -0.892 1.00 6.11 C ATOM 275 C PHE A 18 16.697 1.323 -1.686 1.00 6.56 C ATOM 276 O PHE A 18 17.755 1.019 -2.240 1.00 6.14 O ATOM 277 CB PHE A 18 16.234 2.308 0.563 1.00 6.14 C ATOM 278 CG PHE A 18 17.240 1.421 1.241 1.00 5.98 C ATOM 279 CD1 PHE A 18 17.048 0.050 1.304 1.00 6.36 C ATOM 280 CD2 PHE A 18 18.381 1.955 1.814 1.00 5.83 C ATOM 281 CE1 PHE A 18 17.971 -0.769 1.924 1.00 6.55 C ATOM 282 CE2 PHE A 18 19.309 1.144 2.435 1.00 6.04 C ATOM 283 CZ PHE A 18 19.104 -0.220 2.490 1.00 6.38 C ATOM 0 H PHE A 18 14.927 3.913 -0.789 1.00 6.75 H new ATOM 0 HA PHE A 18 17.545 3.133 -0.937 1.00 6.11 H new ATOM 0 HB2 PHE A 18 16.151 3.241 1.120 1.00 6.14 H new ATOM 0 HB3 PHE A 18 15.256 1.828 0.598 1.00 6.14 H new ATOM 0 HD1 PHE A 18 16.164 -0.384 0.862 1.00 6.36 H new ATOM 0 HD2 PHE A 18 18.548 3.021 1.775 1.00 5.83 H new ATOM 0 HE1 PHE A 18 17.807 -1.836 1.966 1.00 6.55 H new ATOM 0 HE2 PHE A 18 20.195 1.576 2.877 1.00 6.04 H new ATOM 0 HZ PHE A 18 19.829 -0.857 2.975 1.00 6.38 H new ATOM 293 N ARG A 19 15.597 0.578 -1.760 1.00 7.57 N ATOM 294 CA ARG A 19 15.595 -0.735 -2.404 1.00 8.30 C ATOM 295 C ARG A 19 15.940 -0.652 -3.892 1.00 8.53 C ATOM 296 O ARG A 19 16.125 -1.674 -4.546 1.00 8.98 O ATOM 297 CB ARG A 19 14.235 -1.412 -2.233 1.00 9.53 C ATOM 298 CG ARG A 19 13.090 -0.679 -2.913 1.00 10.28 C ATOM 299 CD ARG A 19 11.798 -1.472 -2.821 1.00 11.35 C ATOM 300 NE ARG A 19 10.683 -0.785 -3.466 1.00 12.03 N ATOM 301 CZ ARG A 19 9.471 -1.315 -3.614 1.00 13.02 C ATOM 302 NH1 ARG A 19 9.218 -2.539 -3.163 1.00 13.43 N ATOM 303 NH2 ARG A 19 8.511 -0.621 -4.216 1.00 13.72 N ATOM 0 H ARG A 19 14.693 0.861 -1.381 1.00 7.57 H new ATOM 0 HA ARG A 19 16.367 -1.328 -1.914 1.00 8.30 H new ATOM 0 HB2 ARG A 19 14.292 -2.425 -2.632 1.00 9.53 H new ATOM 0 HB3 ARG A 19 14.016 -1.500 -1.169 1.00 9.53 H new ATOM 0 HG2 ARG A 19 12.954 0.298 -2.449 1.00 10.28 H new ATOM 0 HG3 ARG A 19 13.338 -0.503 -3.960 1.00 10.28 H new ATOM 0 HD2 ARG A 19 11.939 -2.448 -3.285 1.00 11.35 H new ATOM 0 HD3 ARG A 19 11.556 -1.649 -1.773 1.00 11.35 H new ATOM 0 HE ARG A 19 10.842 0.157 -3.824 1.00 12.03 H new ATOM 0 HH11 ARG A 19 9.953 -3.075 -2.702 1.00 13.43 H new ATOM 0 HH12 ARG A 19 8.288 -2.943 -3.278 1.00 13.43 H new ATOM 0 HH21 ARG A 19 8.703 0.318 -4.565 1.00 13.72 H new ATOM 0 HH22 ARG A 19 7.582 -1.027 -4.329 1.00 13.72 H new ATOM 317 N ASP A 20 16.031 0.558 -4.424 1.00 8.44 N ATOM 318 CA ASP A 20 16.343 0.734 -5.830 1.00 9.01 C ATOM 319 C ASP A 20 17.849 0.779 -6.037 1.00 8.27 C ATOM 320 O ASP A 20 18.382 0.076 -6.892 1.00 8.68 O ATOM 321 CB ASP A 20 15.702 2.007 -6.383 1.00 9.59 C ATOM 322 CG ASP A 20 15.741 2.055 -7.899 1.00 10.55 C ATOM 323 OD1 ASP A 20 14.801 1.551 -8.547 1.00 11.24 O ATOM 324 OD2 ASP A 20 16.717 2.607 -8.448 1.00 10.78 O ATOM 0 H ASP A 20 15.894 1.426 -3.905 1.00 8.44 H new ATOM 0 HA ASP A 20 15.934 -0.118 -6.372 1.00 9.01 H new ATOM 0 HB2 ASP A 20 14.667 2.067 -6.046 1.00 9.59 H new ATOM 0 HB3 ASP A 20 16.220 2.877 -5.980 1.00 9.59 H new ATOM 329 N TYR A 21 18.546 1.583 -5.238 1.00 7.30 N ATOM 330 CA TYR A 21 19.989 1.718 -5.399 1.00 6.73 C ATOM 331 C TYR A 21 20.702 0.488 -4.856 1.00 6.19 C ATOM 332 O TYR A 21 21.739 0.075 -5.380 1.00 6.24 O ATOM 333 CB TYR A 21 20.512 3.005 -4.741 1.00 6.06 C ATOM 334 CG TYR A 21 20.851 2.911 -3.264 1.00 5.92 C ATOM 335 CD1 TYR A 21 19.900 3.179 -2.290 1.00 6.01 C ATOM 336 CD2 TYR A 21 22.137 2.578 -2.850 1.00 6.13 C ATOM 337 CE1 TYR A 21 20.219 3.114 -0.945 1.00 6.36 C ATOM 338 CE2 TYR A 21 22.462 2.509 -1.508 1.00 6.47 C ATOM 339 CZ TYR A 21 21.501 2.779 -0.560 1.00 6.60 C ATOM 340 OH TYR A 21 21.819 2.710 0.776 1.00 7.29 O ATOM 0 H TYR A 21 18.143 2.141 -4.486 1.00 7.30 H new ATOM 0 HA TYR A 21 20.204 1.794 -6.465 1.00 6.73 H new ATOM 0 HB2 TYR A 21 21.405 3.326 -5.278 1.00 6.06 H new ATOM 0 HB3 TYR A 21 19.763 3.786 -4.872 1.00 6.06 H new ATOM 0 HD1 TYR A 21 18.895 3.442 -2.586 1.00 6.01 H new ATOM 0 HD2 TYR A 21 22.895 2.370 -3.590 1.00 6.13 H new ATOM 0 HE1 TYR A 21 19.467 3.325 -0.199 1.00 6.36 H new ATOM 0 HE2 TYR A 21 23.464 2.245 -1.205 1.00 6.47 H new ATOM 0 HH TYR A 21 22.743 3.009 0.908 1.00 7.29 H new ATOM 350 N VAL A 22 20.119 -0.116 -3.829 1.00 5.96 N ATOM 351 CA VAL A 22 20.668 -1.332 -3.249 1.00 5.81 C ATOM 352 C VAL A 22 20.517 -2.485 -4.232 1.00 6.77 C ATOM 353 O VAL A 22 21.291 -3.438 -4.215 1.00 6.77 O ATOM 354 CB VAL A 22 19.982 -1.689 -1.909 1.00 5.93 C ATOM 355 CG1 VAL A 22 20.541 -2.981 -1.328 1.00 6.61 C ATOM 356 CG2 VAL A 22 20.152 -0.553 -0.916 1.00 5.41 C ATOM 0 H VAL A 22 19.265 0.217 -3.381 1.00 5.96 H new ATOM 0 HA VAL A 22 21.724 -1.157 -3.044 1.00 5.81 H new ATOM 0 HB VAL A 22 18.920 -1.839 -2.104 1.00 5.93 H new ATOM 0 HG11 VAL A 22 20.038 -3.204 -0.387 1.00 6.61 H new ATOM 0 HG12 VAL A 22 20.375 -3.798 -2.031 1.00 6.61 H new ATOM 0 HG13 VAL A 22 21.610 -2.867 -1.150 1.00 6.61 H new ATOM 0 HG21 VAL A 22 19.665 -0.815 0.023 1.00 5.41 H new ATOM 0 HG22 VAL A 22 21.214 -0.380 -0.739 1.00 5.41 H new ATOM 0 HG23 VAL A 22 19.699 0.353 -1.319 1.00 5.41 H new ATOM 366 N ASP A 23 19.537 -2.366 -5.118 1.00 7.71 N ATOM 367 CA ASP A 23 19.272 -3.412 -6.101 1.00 8.82 C ATOM 368 C ASP A 23 20.423 -3.501 -7.098 1.00 8.87 C ATOM 369 O ASP A 23 20.806 -4.590 -7.524 1.00 9.30 O ATOM 370 CB ASP A 23 17.953 -3.155 -6.833 1.00 9.88 C ATOM 371 CG ASP A 23 17.543 -4.315 -7.719 1.00 11.09 C ATOM 372 OD1 ASP A 23 17.769 -4.246 -8.948 1.00 11.57 O ATOM 373 OD2 ASP A 23 16.984 -5.303 -7.195 1.00 11.68 O ATOM 0 H ASP A 23 18.914 -1.560 -5.178 1.00 7.71 H new ATOM 0 HA ASP A 23 19.187 -4.362 -5.574 1.00 8.82 H new ATOM 0 HB2 ASP A 23 17.167 -2.965 -6.102 1.00 9.88 H new ATOM 0 HB3 ASP A 23 18.048 -2.255 -7.440 1.00 9.88 H new ATOM 378 N ARG A 24 20.999 -2.350 -7.442 1.00 8.57 N ATOM 379 CA ARG A 24 22.147 -2.321 -8.341 1.00 8.91 C ATOM 380 C ARG A 24 23.389 -2.762 -7.588 1.00 8.10 C ATOM 381 O ARG A 24 24.268 -3.427 -8.141 1.00 8.53 O ATOM 382 CB ARG A 24 22.371 -0.925 -8.932 1.00 9.20 C ATOM 383 CG ARG A 24 21.233 -0.431 -9.808 1.00 9.35 C ATOM 384 CD ARG A 24 20.427 0.652 -9.113 1.00 9.42 C ATOM 385 NE ARG A 24 21.259 1.790 -8.725 1.00 10.13 N ATOM 386 CZ ARG A 24 20.774 2.974 -8.353 1.00 10.62 C ATOM 387 NH1 ARG A 24 19.465 3.185 -8.356 1.00 10.53 N ATOM 388 NH2 ARG A 24 21.595 3.949 -7.978 1.00 11.36 N ATOM 0 H ARG A 24 20.692 -1.434 -7.114 1.00 8.57 H new ATOM 0 HA ARG A 24 21.946 -3.003 -9.167 1.00 8.91 H new ATOM 0 HB2 ARG A 24 22.521 -0.217 -8.117 1.00 9.20 H new ATOM 0 HB3 ARG A 24 23.289 -0.934 -9.519 1.00 9.20 H new ATOM 0 HG2 ARG A 24 21.635 -0.043 -10.744 1.00 9.35 H new ATOM 0 HG3 ARG A 24 20.580 -1.265 -10.063 1.00 9.35 H new ATOM 0 HD2 ARG A 24 19.632 0.994 -9.775 1.00 9.42 H new ATOM 0 HD3 ARG A 24 19.947 0.235 -8.228 1.00 9.42 H new ATOM 0 HE ARG A 24 22.272 1.670 -8.740 1.00 10.13 H new ATOM 0 HH11 ARG A 24 18.829 2.441 -8.643 1.00 10.53 H new ATOM 0 HH12 ARG A 24 19.094 4.091 -8.071 1.00 10.53 H new ATOM 0 HH21 ARG A 24 22.603 3.793 -7.974 1.00 11.36 H new ATOM 0 HH22 ARG A 24 21.217 4.853 -7.694 1.00 11.36 H new ATOM 402 N PHE A 25 23.443 -2.392 -6.315 1.00 7.02 N ATOM 403 CA PHE A 25 24.527 -2.799 -5.440 1.00 6.32 C ATOM 404 C PHE A 25 24.545 -4.314 -5.304 1.00 6.59 C ATOM 405 O PHE A 25 25.604 -4.931 -5.235 1.00 6.62 O ATOM 406 CB PHE A 25 24.358 -2.152 -4.063 1.00 5.33 C ATOM 407 CG PHE A 25 25.462 -2.487 -3.101 1.00 4.98 C ATOM 408 CD1 PHE A 25 26.664 -1.793 -3.134 1.00 4.85 C ATOM 409 CD2 PHE A 25 25.300 -3.490 -2.161 1.00 5.26 C ATOM 410 CE1 PHE A 25 27.679 -2.095 -2.248 1.00 4.99 C ATOM 411 CE2 PHE A 25 26.314 -3.797 -1.272 1.00 5.43 C ATOM 412 CZ PHE A 25 27.506 -3.118 -1.326 1.00 5.29 C ATOM 0 H PHE A 25 22.740 -1.805 -5.865 1.00 7.02 H new ATOM 0 HA PHE A 25 25.473 -2.471 -5.872 1.00 6.32 H new ATOM 0 HB2 PHE A 25 24.308 -1.070 -4.183 1.00 5.33 H new ATOM 0 HB3 PHE A 25 23.407 -2.469 -3.636 1.00 5.33 H new ATOM 0 HD1 PHE A 25 26.807 -1.008 -3.861 1.00 4.85 H new ATOM 0 HD2 PHE A 25 24.371 -4.039 -2.121 1.00 5.26 H new ATOM 0 HE1 PHE A 25 28.604 -1.538 -2.272 1.00 4.99 H new ATOM 0 HE2 PHE A 25 26.168 -4.572 -0.534 1.00 5.43 H new ATOM 0 HZ PHE A 25 28.308 -3.380 -0.652 1.00 5.29 H new ATOM 422 N TYR A 26 23.361 -4.906 -5.294 1.00 7.06 N ATOM 423 CA TYR A 26 23.220 -6.340 -5.126 1.00 7.60 C ATOM 424 C TYR A 26 23.627 -7.048 -6.407 1.00 8.54 C ATOM 425 O TYR A 26 24.191 -8.139 -6.378 1.00 8.87 O ATOM 426 CB TYR A 26 21.777 -6.688 -4.753 1.00 8.10 C ATOM 427 CG TYR A 26 21.582 -8.133 -4.353 1.00 8.84 C ATOM 428 CD1 TYR A 26 21.019 -9.042 -5.239 1.00 9.57 C ATOM 429 CD2 TYR A 26 21.963 -8.587 -3.097 1.00 9.04 C ATOM 430 CE1 TYR A 26 20.838 -10.363 -4.883 1.00 10.37 C ATOM 431 CE2 TYR A 26 21.785 -9.909 -2.736 1.00 9.88 C ATOM 432 CZ TYR A 26 21.228 -10.785 -3.604 1.00 10.50 C ATOM 433 OH TYR A 26 21.042 -12.109 -3.275 1.00 11.44 O ATOM 0 H TYR A 26 22.477 -4.408 -5.402 1.00 7.06 H new ATOM 0 HA TYR A 26 23.872 -6.673 -4.319 1.00 7.60 H new ATOM 0 HB2 TYR A 26 21.459 -6.047 -3.931 1.00 8.10 H new ATOM 0 HB3 TYR A 26 21.129 -6.464 -5.600 1.00 8.10 H new ATOM 0 HD1 TYR A 26 20.718 -8.710 -6.222 1.00 9.57 H new ATOM 0 HD2 TYR A 26 22.404 -7.897 -2.393 1.00 9.04 H new ATOM 0 HE1 TYR A 26 20.402 -11.063 -5.580 1.00 10.37 H new ATOM 0 HE2 TYR A 26 22.092 -10.245 -1.756 1.00 9.88 H new ATOM 0 HH TYR A 26 21.356 -12.266 -2.360 1.00 11.44 H new ATOM 443 N LYS A 27 23.343 -6.402 -7.530 1.00 9.08 N ATOM 444 CA LYS A 27 23.726 -6.916 -8.835 1.00 10.12 C ATOM 445 C LYS A 27 25.232 -7.114 -8.927 1.00 10.01 C ATOM 446 O LYS A 27 25.703 -8.203 -9.256 1.00 10.69 O ATOM 447 CB LYS A 27 23.251 -5.965 -9.927 1.00 10.87 C ATOM 448 CG LYS A 27 21.759 -6.040 -10.191 1.00 11.19 C ATOM 449 CD LYS A 27 21.346 -5.143 -11.346 1.00 12.15 C ATOM 450 CE LYS A 27 21.979 -5.587 -12.658 1.00 12.87 C ATOM 451 NZ LYS A 27 21.522 -4.760 -13.805 1.00 13.47 N ATOM 0 H LYS A 27 22.844 -5.513 -7.561 1.00 9.08 H new ATOM 0 HA LYS A 27 23.251 -7.887 -8.973 1.00 10.12 H new ATOM 0 HB2 LYS A 27 23.511 -4.944 -9.647 1.00 10.87 H new ATOM 0 HB3 LYS A 27 23.786 -6.188 -10.850 1.00 10.87 H new ATOM 0 HG2 LYS A 27 21.480 -7.070 -10.413 1.00 11.19 H new ATOM 0 HG3 LYS A 27 21.215 -5.749 -9.292 1.00 11.19 H new ATOM 0 HD2 LYS A 27 20.260 -5.153 -11.444 1.00 12.15 H new ATOM 0 HD3 LYS A 27 21.638 -4.115 -11.131 1.00 12.15 H new ATOM 0 HE2 LYS A 27 23.064 -5.525 -12.576 1.00 12.87 H new ATOM 0 HE3 LYS A 27 21.733 -6.632 -12.844 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 21.977 -5.096 -14.678 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 20.489 -4.839 -13.900 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 21.780 -3.766 -13.641 1.00 13.47 H new ATOM 465 N THR A 28 25.988 -6.069 -8.622 1.00 9.28 N ATOM 466 CA THR A 28 27.437 -6.157 -8.666 1.00 9.35 C ATOM 467 C THR A 28 27.955 -7.012 -7.511 1.00 8.90 C ATOM 468 O THR A 28 29.011 -7.634 -7.615 1.00 9.29 O ATOM 469 CB THR A 28 28.104 -4.760 -8.638 1.00 9.07 C ATOM 470 OG1 THR A 28 29.524 -4.886 -8.798 1.00 9.27 O ATOM 471 CG2 THR A 28 27.803 -4.019 -7.343 1.00 8.30 C ATOM 0 H THR A 28 25.624 -5.158 -8.344 1.00 9.28 H new ATOM 0 HA THR A 28 27.705 -6.630 -9.611 1.00 9.35 H new ATOM 0 HB THR A 28 27.690 -4.183 -9.465 1.00 9.07 H new ATOM 0 HG1 THR A 28 29.968 -4.681 -7.949 1.00 9.27 H new ATOM 0 HG21 THR A 28 28.288 -3.043 -7.361 1.00 8.30 H new ATOM 0 HG22 THR A 28 26.726 -3.887 -7.241 1.00 8.30 H new ATOM 0 HG23 THR A 28 28.179 -4.596 -6.498 1.00 8.30 H new ATOM 479 N LEU A 29 27.180 -7.077 -6.432 1.00 8.24 N ATOM 480 CA LEU A 29 27.576 -7.820 -5.239 1.00 8.03 C ATOM 481 C LEU A 29 27.651 -9.314 -5.542 1.00 8.87 C ATOM 482 O LEU A 29 28.458 -10.039 -4.958 1.00 9.09 O ATOM 483 CB LEU A 29 26.578 -7.564 -4.105 1.00 7.48 C ATOM 484 CG LEU A 29 27.019 -8.033 -2.718 1.00 7.10 C ATOM 485 CD1 LEU A 29 28.217 -7.228 -2.237 1.00 6.93 C ATOM 486 CD2 LEU A 29 25.869 -7.922 -1.730 1.00 6.99 C ATOM 0 H LEU A 29 26.270 -6.622 -6.359 1.00 8.24 H new ATOM 0 HA LEU A 29 28.563 -7.478 -4.928 1.00 8.03 H new ATOM 0 HB2 LEU A 29 26.374 -6.494 -4.059 1.00 7.48 H new ATOM 0 HB3 LEU A 29 25.638 -8.057 -4.354 1.00 7.48 H new ATOM 0 HG LEU A 29 27.315 -9.080 -2.786 1.00 7.10 H new ATOM 0 HD11 LEU A 29 28.516 -7.576 -1.248 1.00 6.93 H new ATOM 0 HD12 LEU A 29 29.046 -7.357 -2.933 1.00 6.93 H new ATOM 0 HD13 LEU A 29 27.949 -6.173 -2.184 1.00 6.93 H new ATOM 0 HD21 LEU A 29 26.199 -8.260 -0.748 1.00 6.99 H new ATOM 0 HD22 LEU A 29 25.543 -6.884 -1.666 1.00 6.99 H new ATOM 0 HD23 LEU A 29 25.039 -8.543 -2.067 1.00 6.99 H new ATOM 498 N ARG A 30 26.813 -9.763 -6.470 1.00 9.50 N ATOM 499 CA ARG A 30 26.798 -11.160 -6.884 1.00 10.45 C ATOM 500 C ARG A 30 28.025 -11.474 -7.736 1.00 10.98 C ATOM 501 O ARG A 30 28.490 -12.614 -7.781 1.00 11.61 O ATOM 502 CB ARG A 30 25.527 -11.467 -7.683 1.00 11.14 C ATOM 503 CG ARG A 30 24.241 -11.176 -6.928 1.00 11.16 C ATOM 504 CD ARG A 30 23.014 -11.395 -7.804 1.00 11.94 C ATOM 505 NE ARG A 30 23.049 -10.579 -9.021 1.00 12.66 N ATOM 506 CZ ARG A 30 21.968 -10.134 -9.660 1.00 13.44 C ATOM 507 NH1 ARG A 30 20.755 -10.413 -9.201 1.00 13.60 N ATOM 508 NH2 ARG A 30 22.104 -9.417 -10.768 1.00 14.19 N ATOM 0 H ARG A 30 26.132 -9.176 -6.952 1.00 9.50 H new ATOM 0 HA ARG A 30 26.815 -11.782 -5.989 1.00 10.45 H new ATOM 0 HB2 ARG A 30 25.537 -10.882 -8.603 1.00 11.14 H new ATOM 0 HB3 ARG A 30 25.537 -12.518 -7.973 1.00 11.14 H new ATOM 0 HG2 ARG A 30 24.181 -11.819 -6.050 1.00 11.16 H new ATOM 0 HG3 ARG A 30 24.254 -10.147 -6.570 1.00 11.16 H new ATOM 0 HD2 ARG A 30 22.948 -12.448 -8.077 1.00 11.94 H new ATOM 0 HD3 ARG A 30 22.116 -11.156 -7.234 1.00 11.94 H new ATOM 0 HE ARG A 30 23.962 -10.335 -9.404 1.00 12.66 H new ATOM 0 HH11 ARG A 30 20.646 -10.971 -8.354 1.00 13.60 H new ATOM 0 HH12 ARG A 30 19.931 -10.069 -9.695 1.00 13.60 H new ATOM 0 HH21 ARG A 30 23.035 -9.208 -11.129 1.00 14.19 H new ATOM 0 HH22 ARG A 30 21.278 -9.075 -11.259 1.00 14.19 H new ATOM 522 N ALA A 31 28.534 -10.456 -8.416 1.00 10.87 N ATOM 523 CA ALA A 31 29.679 -10.614 -9.303 1.00 11.56 C ATOM 524 C ALA A 31 30.996 -10.473 -8.548 1.00 11.34 C ATOM 525 O ALA A 31 31.866 -11.343 -8.623 1.00 11.93 O ATOM 526 CB ALA A 31 29.609 -9.604 -10.438 1.00 11.84 C ATOM 0 H ALA A 31 28.169 -9.505 -8.370 1.00 10.87 H new ATOM 0 HA ALA A 31 29.642 -11.621 -9.719 1.00 11.56 H new ATOM 0 HB1 ALA A 31 30.470 -9.733 -11.093 1.00 11.84 H new ATOM 0 HB2 ALA A 31 28.693 -9.760 -11.008 1.00 11.84 H new ATOM 0 HB3 ALA A 31 29.613 -8.594 -10.027 1.00 11.84 H new ATOM 532 N GLU A 32 31.137 -9.384 -7.801 1.00 10.61 N ATOM 533 CA GLU A 32 32.387 -9.083 -7.107 1.00 10.60 C ATOM 534 C GLU A 32 32.445 -9.768 -5.742 1.00 10.54 C ATOM 535 O GLU A 32 33.097 -9.283 -4.813 1.00 10.89 O ATOM 536 CB GLU A 32 32.554 -7.568 -6.944 1.00 10.22 C ATOM 537 CG GLU A 32 31.505 -6.933 -6.048 1.00 9.56 C ATOM 538 CD GLU A 32 31.714 -5.445 -5.872 1.00 9.48 C ATOM 539 OE1 GLU A 32 31.193 -4.664 -6.697 1.00 9.47 O ATOM 540 OE2 GLU A 32 32.400 -5.046 -4.907 1.00 9.62 O ATOM 0 H GLU A 32 30.401 -8.693 -7.659 1.00 10.61 H new ATOM 0 HA GLU A 32 33.206 -9.469 -7.713 1.00 10.60 H new ATOM 0 HB2 GLU A 32 33.543 -7.362 -6.534 1.00 10.22 H new ATOM 0 HB3 GLU A 32 32.512 -7.099 -7.927 1.00 10.22 H new ATOM 0 HG2 GLU A 32 30.516 -7.110 -6.471 1.00 9.56 H new ATOM 0 HG3 GLU A 32 31.525 -7.417 -5.072 1.00 9.56 H new ATOM 547 N GLN A 33 31.777 -10.911 -5.633 1.00 10.31 N ATOM 548 CA GLN A 33 31.745 -11.672 -4.391 1.00 10.45 C ATOM 549 C GLN A 33 33.085 -12.360 -4.137 1.00 10.39 C ATOM 550 O GLN A 33 33.298 -12.964 -3.089 1.00 10.09 O ATOM 551 CB GLN A 33 30.597 -12.695 -4.429 1.00 10.44 C ATOM 552 CG GLN A 33 30.609 -13.620 -5.641 1.00 10.76 C ATOM 553 CD GLN A 33 31.616 -14.750 -5.529 1.00 11.12 C ATOM 554 OE1 GLN A 33 31.911 -15.235 -4.436 1.00 11.23 O ATOM 555 NE2 GLN A 33 32.147 -15.177 -6.659 1.00 11.52 N ATOM 0 H GLN A 33 31.247 -11.333 -6.396 1.00 10.31 H new ATOM 0 HA GLN A 33 31.567 -10.983 -3.565 1.00 10.45 H new ATOM 0 HB2 GLN A 33 30.639 -13.302 -3.525 1.00 10.44 H new ATOM 0 HB3 GLN A 33 29.649 -12.158 -4.408 1.00 10.44 H new ATOM 0 HG2 GLN A 33 29.613 -14.043 -5.775 1.00 10.76 H new ATOM 0 HG3 GLN A 33 30.830 -13.034 -6.533 1.00 10.76 H new ATOM 0 HE21 GLN A 33 31.876 -14.748 -7.544 1.00 11.52 H new ATOM 0 HE22 GLN A 33 32.829 -15.936 -6.648 1.00 11.52 H new ATOM 564 N ALA A 34 33.984 -12.251 -5.109 1.00 10.90 N ATOM 565 CA ALA A 34 35.302 -12.860 -5.012 1.00 11.19 C ATOM 566 C ALA A 34 36.076 -12.269 -3.842 1.00 11.09 C ATOM 567 O ALA A 34 36.574 -12.999 -2.981 1.00 11.27 O ATOM 568 CB ALA A 34 36.066 -12.672 -6.312 1.00 11.97 C ATOM 0 H ALA A 34 33.821 -11.743 -5.978 1.00 10.90 H new ATOM 0 HA ALA A 34 35.181 -13.929 -4.836 1.00 11.19 H new ATOM 0 HB1 ALA A 34 37.050 -13.132 -6.225 1.00 11.97 H new ATOM 0 HB2 ALA A 34 35.516 -13.141 -7.128 1.00 11.97 H new ATOM 0 HB3 ALA A 34 36.180 -11.607 -6.516 1.00 11.97 H new ATOM 574 N SER A 35 36.167 -10.948 -3.808 1.00 11.05 N ATOM 575 CA SER A 35 36.776 -10.254 -2.685 1.00 11.21 C ATOM 576 C SER A 35 35.752 -10.117 -1.560 1.00 10.64 C ATOM 577 O SER A 35 35.202 -9.038 -1.329 1.00 10.19 O ATOM 578 CB SER A 35 37.274 -8.880 -3.127 1.00 11.48 C ATOM 579 OG SER A 35 38.049 -8.976 -4.310 1.00 12.02 O ATOM 0 H SER A 35 35.826 -10.334 -4.548 1.00 11.05 H new ATOM 0 HA SER A 35 37.629 -10.827 -2.321 1.00 11.21 H new ATOM 0 HB2 SER A 35 36.424 -8.219 -3.298 1.00 11.48 H new ATOM 0 HB3 SER A 35 37.871 -8.433 -2.332 1.00 11.48 H new ATOM 0 HG SER A 35 38.355 -8.083 -4.574 1.00 12.02 H new ATOM 585 N GLN A 36 35.499 -11.221 -0.864 1.00 10.85 N ATOM 586 CA GLN A 36 34.423 -11.287 0.119 1.00 10.51 C ATOM 587 C GLN A 36 34.597 -10.263 1.235 1.00 10.66 C ATOM 588 O GLN A 36 33.635 -9.607 1.632 1.00 10.26 O ATOM 589 CB GLN A 36 34.316 -12.698 0.705 1.00 11.11 C ATOM 590 CG GLN A 36 35.590 -13.200 1.367 1.00 11.25 C ATOM 591 CD GLN A 36 35.455 -14.611 1.900 1.00 11.80 C ATOM 592 OE1 GLN A 36 34.701 -15.426 1.363 1.00 12.14 O ATOM 593 NE2 GLN A 36 36.185 -14.913 2.960 1.00 12.09 N ATOM 0 H GLN A 36 36.028 -12.087 -0.964 1.00 10.85 H new ATOM 0 HA GLN A 36 33.497 -11.045 -0.403 1.00 10.51 H new ATOM 0 HB2 GLN A 36 33.509 -12.714 1.438 1.00 11.11 H new ATOM 0 HB3 GLN A 36 34.038 -13.389 -0.091 1.00 11.11 H new ATOM 0 HG2 GLN A 36 36.407 -13.165 0.646 1.00 11.25 H new ATOM 0 HG3 GLN A 36 35.857 -12.531 2.185 1.00 11.25 H new ATOM 0 HE21 GLN A 36 36.797 -14.210 3.375 1.00 12.09 H new ATOM 0 HE22 GLN A 36 36.137 -15.849 3.363 1.00 12.09 H new ATOM 602 N GLU A 37 35.822 -10.113 1.718 1.00 11.37 N ATOM 603 CA GLU A 37 36.101 -9.222 2.841 1.00 11.85 C ATOM 604 C GLU A 37 35.632 -7.791 2.581 1.00 11.40 C ATOM 605 O GLU A 37 34.934 -7.202 3.408 1.00 11.56 O ATOM 606 CB GLU A 37 37.594 -9.231 3.192 1.00 12.76 C ATOM 607 CG GLU A 37 38.517 -9.002 2.004 1.00 12.82 C ATOM 608 CD GLU A 37 39.956 -8.789 2.421 1.00 13.79 C ATOM 609 OE1 GLU A 37 40.609 -9.767 2.838 1.00 14.44 O ATOM 610 OE2 GLU A 37 40.451 -7.647 2.325 1.00 13.98 O ATOM 0 H GLU A 37 36.642 -10.597 1.351 1.00 11.37 H new ATOM 0 HA GLU A 37 35.533 -9.605 3.689 1.00 11.85 H new ATOM 0 HB2 GLU A 37 37.784 -8.461 3.939 1.00 12.76 H new ATOM 0 HB3 GLU A 37 37.842 -10.188 3.651 1.00 12.76 H new ATOM 0 HG2 GLU A 37 38.460 -9.859 1.333 1.00 12.82 H new ATOM 0 HG3 GLU A 37 38.172 -8.134 1.442 1.00 12.82 H new ATOM 617 N VAL A 38 35.985 -7.249 1.427 1.00 11.01 N ATOM 618 CA VAL A 38 35.706 -5.855 1.134 1.00 10.78 C ATOM 619 C VAL A 38 34.250 -5.635 0.738 1.00 9.91 C ATOM 620 O VAL A 38 33.684 -4.583 1.014 1.00 9.82 O ATOM 621 CB VAL A 38 36.632 -5.310 0.029 1.00 10.99 C ATOM 622 CG1 VAL A 38 38.075 -5.297 0.502 1.00 11.05 C ATOM 623 CG2 VAL A 38 36.500 -6.118 -1.249 1.00 11.61 C ATOM 0 H VAL A 38 36.464 -7.752 0.680 1.00 11.01 H new ATOM 0 HA VAL A 38 35.898 -5.305 2.055 1.00 10.78 H new ATOM 0 HB VAL A 38 36.326 -4.287 -0.188 1.00 10.99 H new ATOM 0 HG11 VAL A 38 38.714 -4.909 -0.291 1.00 11.05 H new ATOM 0 HG12 VAL A 38 38.163 -4.661 1.383 1.00 11.05 H new ATOM 0 HG13 VAL A 38 38.384 -6.311 0.754 1.00 11.05 H new ATOM 0 HG21 VAL A 38 37.166 -5.709 -2.009 1.00 11.61 H new ATOM 0 HG22 VAL A 38 36.768 -7.156 -1.053 1.00 11.61 H new ATOM 0 HG23 VAL A 38 35.471 -6.071 -1.605 1.00 11.61 H new ATOM 633 N LYS A 39 33.631 -6.632 0.118 1.00 9.40 N ATOM 634 CA LYS A 39 32.248 -6.485 -0.323 1.00 8.62 C ATOM 635 C LYS A 39 31.297 -6.678 0.851 1.00 8.49 C ATOM 636 O LYS A 39 30.214 -6.094 0.895 1.00 8.00 O ATOM 637 CB LYS A 39 31.933 -7.446 -1.482 1.00 8.48 C ATOM 638 CG LYS A 39 32.004 -8.929 -1.141 1.00 8.87 C ATOM 639 CD LYS A 39 30.673 -9.464 -0.631 1.00 8.96 C ATOM 640 CE LYS A 39 30.746 -10.954 -0.349 1.00 9.53 C ATOM 641 NZ LYS A 39 29.444 -11.500 0.118 1.00 9.78 N ATOM 0 H LYS A 39 34.055 -7.536 -0.089 1.00 9.40 H new ATOM 0 HA LYS A 39 32.107 -5.473 -0.702 1.00 8.62 H new ATOM 0 HB2 LYS A 39 30.933 -7.224 -1.854 1.00 8.48 H new ATOM 0 HB3 LYS A 39 32.628 -7.245 -2.297 1.00 8.48 H new ATOM 0 HG2 LYS A 39 32.305 -9.490 -2.026 1.00 8.87 H new ATOM 0 HG3 LYS A 39 32.773 -9.090 -0.385 1.00 8.87 H new ATOM 0 HD2 LYS A 39 30.390 -8.934 0.278 1.00 8.96 H new ATOM 0 HD3 LYS A 39 29.894 -9.270 -1.369 1.00 8.96 H new ATOM 0 HE2 LYS A 39 31.055 -11.479 -1.253 1.00 9.53 H new ATOM 0 HE3 LYS A 39 31.509 -11.143 0.406 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 29.540 -12.520 0.298 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 29.160 -11.018 0.995 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 28.720 -11.344 -0.612 1.00 9.78 H new ATOM 655 N ASN A 40 31.729 -7.478 1.817 1.00 9.12 N ATOM 656 CA ASN A 40 30.977 -7.673 3.047 1.00 9.38 C ATOM 657 C ASN A 40 31.115 -6.433 3.922 1.00 9.55 C ATOM 658 O ASN A 40 30.287 -6.163 4.789 1.00 9.39 O ATOM 659 CB ASN A 40 31.479 -8.915 3.789 1.00 10.35 C ATOM 660 CG ASN A 40 30.623 -9.268 4.990 1.00 10.85 C ATOM 661 OD1 ASN A 40 29.414 -9.034 4.998 1.00 10.92 O ATOM 662 ND2 ASN A 40 31.243 -9.839 6.010 1.00 11.43 N ATOM 0 H ASN A 40 32.601 -8.004 1.771 1.00 9.12 H new ATOM 0 HA ASN A 40 29.925 -7.827 2.807 1.00 9.38 H new ATOM 0 HB2 ASN A 40 31.498 -9.760 3.101 1.00 10.35 H new ATOM 0 HB3 ASN A 40 32.505 -8.747 4.117 1.00 10.35 H new ATOM 0 HD21 ASN A 40 30.717 -10.103 6.843 1.00 11.43 H new ATOM 0 HD22 ASN A 40 32.247 -10.015 5.963 1.00 11.43 H new ATOM 669 N ALA A 41 32.173 -5.673 3.673 1.00 10.04 N ATOM 670 CA ALA A 41 32.377 -4.404 4.353 1.00 10.52 C ATOM 671 C ALA A 41 31.572 -3.316 3.658 1.00 9.85 C ATOM 672 O ALA A 41 30.939 -2.479 4.300 1.00 10.08 O ATOM 673 CB ALA A 41 33.853 -4.045 4.380 1.00 11.43 C ATOM 0 H ALA A 41 32.904 -5.915 3.004 1.00 10.04 H new ATOM 0 HA ALA A 41 32.034 -4.493 5.384 1.00 10.52 H new ATOM 0 HB1 ALA A 41 33.986 -3.092 4.893 1.00 11.43 H new ATOM 0 HB2 ALA A 41 34.407 -4.822 4.907 1.00 11.43 H new ATOM 0 HB3 ALA A 41 34.226 -3.963 3.359 1.00 11.43 H new ATOM 679 N ALA A 42 31.592 -3.353 2.332 1.00 9.19 N ATOM 680 CA ALA A 42 30.883 -2.383 1.512 1.00 8.71 C ATOM 681 C ALA A 42 29.386 -2.385 1.802 1.00 7.86 C ATOM 682 O ALA A 42 28.748 -1.339 1.833 1.00 7.82 O ATOM 683 CB ALA A 42 31.135 -2.659 0.038 1.00 8.58 C ATOM 0 H ALA A 42 32.100 -4.056 1.796 1.00 9.19 H new ATOM 0 HA ALA A 42 31.266 -1.394 1.763 1.00 8.71 H new ATOM 0 HB1 ALA A 42 30.599 -1.927 -0.566 1.00 8.58 H new ATOM 0 HB2 ALA A 42 32.203 -2.588 -0.168 1.00 8.58 H new ATOM 0 HB3 ALA A 42 30.784 -3.661 -0.210 1.00 8.58 H new ATOM 689 N THR A 43 28.824 -3.554 2.031 1.00 7.35 N ATOM 690 CA THR A 43 27.396 -3.649 2.276 1.00 6.63 C ATOM 691 C THR A 43 27.016 -2.956 3.586 1.00 6.87 C ATOM 692 O THR A 43 25.946 -2.366 3.691 1.00 6.42 O ATOM 693 CB THR A 43 26.906 -5.115 2.292 1.00 6.60 C ATOM 694 OG1 THR A 43 25.482 -5.165 2.459 1.00 6.93 O ATOM 695 CG2 THR A 43 27.568 -5.889 3.413 1.00 6.92 C ATOM 0 H THR A 43 29.325 -4.442 2.053 1.00 7.35 H new ATOM 0 HA THR A 43 26.901 -3.140 1.449 1.00 6.63 H new ATOM 0 HB THR A 43 27.175 -5.569 1.338 1.00 6.60 H new ATOM 0 HG1 THR A 43 25.186 -6.099 2.466 1.00 6.93 H new ATOM 0 HG21 THR A 43 27.209 -6.918 3.406 1.00 6.92 H new ATOM 0 HG22 THR A 43 28.649 -5.881 3.272 1.00 6.92 H new ATOM 0 HG23 THR A 43 27.323 -5.426 4.369 1.00 6.92 H new ATOM 703 N GLU A 44 27.891 -3.027 4.584 1.00 7.76 N ATOM 704 CA GLU A 44 27.600 -2.417 5.870 1.00 8.32 C ATOM 705 C GLU A 44 27.991 -0.933 5.903 1.00 8.48 C ATOM 706 O GLU A 44 27.145 -0.073 6.138 1.00 8.35 O ATOM 707 CB GLU A 44 28.250 -3.209 7.018 1.00 9.53 C ATOM 708 CG GLU A 44 29.765 -3.331 6.953 1.00 10.03 C ATOM 709 CD GLU A 44 30.341 -4.048 8.158 1.00 11.07 C ATOM 710 OE1 GLU A 44 30.753 -3.372 9.124 1.00 11.69 O ATOM 711 OE2 GLU A 44 30.382 -5.297 8.147 1.00 11.42 O ATOM 0 H GLU A 44 28.795 -3.495 4.526 1.00 7.76 H new ATOM 0 HA GLU A 44 26.520 -2.457 6.015 1.00 8.32 H new ATOM 0 HB2 GLU A 44 27.981 -2.734 7.962 1.00 9.53 H new ATOM 0 HB3 GLU A 44 27.822 -4.212 7.032 1.00 9.53 H new ATOM 0 HG2 GLU A 44 30.045 -3.868 6.047 1.00 10.03 H new ATOM 0 HG3 GLU A 44 30.204 -2.336 6.882 1.00 10.03 H new ATOM 718 N THR A 45 29.261 -0.627 5.647 1.00 8.95 N ATOM 719 CA THR A 45 29.752 0.737 5.810 1.00 9.49 C ATOM 720 C THR A 45 29.524 1.591 4.560 1.00 8.79 C ATOM 721 O THR A 45 29.321 2.798 4.662 1.00 9.04 O ATOM 722 CB THR A 45 31.250 0.772 6.209 1.00 10.61 C ATOM 723 OG1 THR A 45 31.632 2.108 6.567 1.00 11.34 O ATOM 724 CG2 THR A 45 32.147 0.278 5.082 1.00 11.01 C ATOM 0 H THR A 45 29.961 -1.297 5.329 1.00 8.95 H new ATOM 0 HA THR A 45 29.169 1.167 6.624 1.00 9.49 H new ATOM 0 HB THR A 45 31.376 0.106 7.062 1.00 10.61 H new ATOM 0 HG1 THR A 45 32.579 2.121 6.819 1.00 11.34 H new ATOM 0 HG21 THR A 45 33.188 0.318 5.402 1.00 11.01 H new ATOM 0 HG22 THR A 45 31.884 -0.750 4.831 1.00 11.01 H new ATOM 0 HG23 THR A 45 32.012 0.911 4.205 1.00 11.01 H new ATOM 732 N LEU A 46 29.538 0.975 3.385 1.00 8.07 N ATOM 733 CA LEU A 46 29.457 1.741 2.150 1.00 7.71 C ATOM 734 C LEU A 46 28.015 2.070 1.784 1.00 6.77 C ATOM 735 O LEU A 46 27.748 3.160 1.290 1.00 6.93 O ATOM 736 CB LEU A 46 30.140 1.005 0.998 1.00 7.55 C ATOM 737 CG LEU A 46 30.002 1.670 -0.371 1.00 7.70 C ATOM 738 CD1 LEU A 46 30.857 2.926 -0.455 1.00 7.76 C ATOM 739 CD2 LEU A 46 30.369 0.690 -1.467 1.00 8.22 C ATOM 0 H LEU A 46 29.604 -0.035 3.262 1.00 8.07 H new ATOM 0 HA LEU A 46 29.983 2.680 2.323 1.00 7.71 H new ATOM 0 HB2 LEU A 46 31.200 0.904 1.230 1.00 7.55 H new ATOM 0 HB3 LEU A 46 29.730 -0.003 0.938 1.00 7.55 H new ATOM 0 HG LEU A 46 28.962 1.968 -0.507 1.00 7.70 H new ATOM 0 HD11 LEU A 46 30.741 3.380 -1.439 1.00 7.76 H new ATOM 0 HD12 LEU A 46 30.540 3.634 0.311 1.00 7.76 H new ATOM 0 HD13 LEU A 46 31.903 2.665 -0.297 1.00 7.76 H new ATOM 0 HD21 LEU A 46 30.267 1.175 -2.438 1.00 8.22 H new ATOM 0 HD22 LEU A 46 31.400 0.362 -1.332 1.00 8.22 H new ATOM 0 HD23 LEU A 46 29.705 -0.173 -1.421 1.00 8.22 H new ATOM 751 N LEU A 47 27.085 1.144 2.020 1.00 5.99 N ATOM 752 CA LEU A 47 25.678 1.406 1.704 1.00 5.15 C ATOM 753 C LEU A 47 25.154 2.626 2.459 1.00 5.48 C ATOM 754 O LEU A 47 24.327 3.375 1.943 1.00 5.21 O ATOM 755 CB LEU A 47 24.795 0.189 2.001 1.00 4.73 C ATOM 756 CG LEU A 47 24.817 -0.911 0.934 1.00 4.22 C ATOM 757 CD1 LEU A 47 23.875 -2.042 1.316 1.00 4.20 C ATOM 758 CD2 LEU A 47 24.437 -0.346 -0.428 1.00 4.34 C ATOM 0 H LEU A 47 27.272 0.225 2.420 1.00 5.99 H new ATOM 0 HA LEU A 47 25.630 1.612 0.635 1.00 5.15 H new ATOM 0 HB2 LEU A 47 25.108 -0.243 2.952 1.00 4.73 H new ATOM 0 HB3 LEU A 47 23.767 0.529 2.128 1.00 4.73 H new ATOM 0 HG LEU A 47 25.831 -1.307 0.873 1.00 4.22 H new ATOM 0 HD11 LEU A 47 23.903 -2.814 0.547 1.00 4.20 H new ATOM 0 HD12 LEU A 47 24.186 -2.468 2.270 1.00 4.20 H new ATOM 0 HD13 LEU A 47 22.860 -1.656 1.405 1.00 4.20 H new ATOM 0 HD21 LEU A 47 24.459 -1.143 -1.171 1.00 4.34 H new ATOM 0 HD22 LEU A 47 23.434 0.078 -0.379 1.00 4.34 H new ATOM 0 HD23 LEU A 47 25.146 0.432 -0.710 1.00 4.34 H new ATOM 770 N VAL A 48 25.633 2.825 3.680 1.00 6.32 N ATOM 771 CA VAL A 48 25.263 4.004 4.448 1.00 6.92 C ATOM 772 C VAL A 48 26.110 5.208 4.041 1.00 7.62 C ATOM 773 O VAL A 48 25.680 6.350 4.167 1.00 7.93 O ATOM 774 CB VAL A 48 25.378 3.774 5.970 1.00 7.91 C ATOM 775 CG1 VAL A 48 24.316 2.796 6.446 1.00 7.84 C ATOM 776 CG2 VAL A 48 26.762 3.271 6.349 1.00 8.67 C ATOM 0 H VAL A 48 26.274 2.190 4.156 1.00 6.32 H new ATOM 0 HA VAL A 48 24.216 4.207 4.221 1.00 6.92 H new ATOM 0 HB VAL A 48 25.219 4.733 6.463 1.00 7.91 H new ATOM 0 HG11 VAL A 48 24.414 2.647 7.521 1.00 7.84 H new ATOM 0 HG12 VAL A 48 23.327 3.196 6.224 1.00 7.84 H new ATOM 0 HG13 VAL A 48 24.445 1.842 5.935 1.00 7.84 H new ATOM 0 HG21 VAL A 48 26.811 3.119 7.427 1.00 8.67 H new ATOM 0 HG22 VAL A 48 26.958 2.327 5.840 1.00 8.67 H new ATOM 0 HG23 VAL A 48 27.510 4.006 6.052 1.00 8.67 H new ATOM 786 N GLN A 49 27.306 4.945 3.540 1.00 8.03 N ATOM 787 CA GLN A 49 28.217 6.003 3.119 1.00 8.97 C ATOM 788 C GLN A 49 27.730 6.630 1.817 1.00 8.65 C ATOM 789 O GLN A 49 27.573 7.850 1.726 1.00 9.36 O ATOM 790 CB GLN A 49 29.633 5.430 2.955 1.00 9.65 C ATOM 791 CG GLN A 49 30.756 6.464 2.971 1.00 10.72 C ATOM 792 CD GLN A 49 30.947 7.181 1.647 1.00 11.48 C ATOM 793 OE1 GLN A 49 31.669 6.704 0.771 1.00 11.55 O ATOM 794 NE2 GLN A 49 30.341 8.347 1.503 1.00 12.22 N ATOM 0 H GLN A 49 27.673 4.002 3.413 1.00 8.03 H new ATOM 0 HA GLN A 49 28.242 6.782 3.881 1.00 8.97 H new ATOM 0 HB2 GLN A 49 29.812 4.710 3.754 1.00 9.65 H new ATOM 0 HB3 GLN A 49 29.679 4.881 2.015 1.00 9.65 H new ATOM 0 HG2 GLN A 49 30.547 7.201 3.746 1.00 10.72 H new ATOM 0 HG3 GLN A 49 31.688 5.970 3.244 1.00 10.72 H new ATOM 0 HE21 GLN A 49 29.750 8.710 2.251 1.00 12.22 H new ATOM 0 HE22 GLN A 49 30.464 8.883 0.644 1.00 12.22 H new ATOM 803 N ASN A 50 27.457 5.794 0.820 1.00 7.73 N ATOM 804 CA ASN A 50 27.048 6.277 -0.497 1.00 7.72 C ATOM 805 C ASN A 50 25.563 6.625 -0.527 1.00 7.17 C ATOM 806 O ASN A 50 25.025 6.997 -1.572 1.00 7.27 O ATOM 807 CB ASN A 50 27.382 5.248 -1.590 1.00 7.34 C ATOM 808 CG ASN A 50 26.618 3.933 -1.469 1.00 7.66 C ATOM 809 OD1 ASN A 50 25.509 3.871 -0.947 1.00 8.30 O ATOM 810 ND2 ASN A 50 27.215 2.865 -1.973 1.00 7.49 N ATOM 0 H ASN A 50 27.511 4.778 0.898 1.00 7.73 H new ATOM 0 HA ASN A 50 27.611 7.188 -0.699 1.00 7.72 H new ATOM 0 HB2 ASN A 50 27.171 5.689 -2.564 1.00 7.34 H new ATOM 0 HB3 ASN A 50 28.451 5.038 -1.560 1.00 7.34 H new ATOM 0 HD21 ASN A 50 26.753 1.957 -1.934 1.00 7.49 H new ATOM 0 HD22 ASN A 50 28.137 2.950 -2.400 1.00 7.49 H new ATOM 817 N ALA A 51 24.908 6.497 0.618 1.00 6.83 N ATOM 818 CA ALA A 51 23.501 6.838 0.736 1.00 6.42 C ATOM 819 C ALA A 51 23.300 8.342 0.614 1.00 7.39 C ATOM 820 O ALA A 51 24.253 9.121 0.700 1.00 8.36 O ATOM 821 CB ALA A 51 22.939 6.345 2.061 1.00 5.86 C ATOM 0 H ALA A 51 25.332 6.158 1.481 1.00 6.83 H new ATOM 0 HA ALA A 51 22.966 6.347 -0.077 1.00 6.42 H new ATOM 0 HB1 ALA A 51 21.884 6.610 2.130 1.00 5.86 H new ATOM 0 HB2 ALA A 51 23.045 5.262 2.121 1.00 5.86 H new ATOM 0 HB3 ALA A 51 23.484 6.809 2.883 1.00 5.86 H new ATOM 827 N ASN A 52 22.053 8.742 0.430 1.00 7.23 N ATOM 828 CA ASN A 52 21.698 10.151 0.365 1.00 8.14 C ATOM 829 C ASN A 52 22.032 10.810 1.698 1.00 8.57 C ATOM 830 O ASN A 52 21.642 10.299 2.749 1.00 8.09 O ATOM 831 CB ASN A 52 20.202 10.299 0.047 1.00 7.94 C ATOM 832 CG ASN A 52 19.728 11.743 -0.009 1.00 8.81 C ATOM 833 OD1 ASN A 52 20.462 12.646 -0.402 1.00 9.40 O ATOM 834 ND2 ASN A 52 18.484 11.968 0.382 1.00 9.07 N ATOM 0 H ASN A 52 21.263 8.106 0.322 1.00 7.23 H new ATOM 0 HA ASN A 52 22.265 10.640 -0.427 1.00 8.14 H new ATOM 0 HB2 ASN A 52 19.994 9.820 -0.910 1.00 7.94 H new ATOM 0 HB3 ASN A 52 19.625 9.766 0.802 1.00 7.94 H new ATOM 0 HD21 ASN A 52 18.107 12.916 0.363 1.00 9.07 H new ATOM 0 HD22 ASN A 52 17.902 11.194 0.703 1.00 9.07 H new ATOM 841 N PRO A 53 22.798 11.919 1.670 1.00 9.68 N ATOM 842 CA PRO A 53 23.268 12.619 2.868 1.00 10.41 C ATOM 843 C PRO A 53 22.256 12.642 4.011 1.00 10.13 C ATOM 844 O PRO A 53 22.557 12.210 5.123 1.00 10.29 O ATOM 845 CB PRO A 53 23.515 14.030 2.346 1.00 11.56 C ATOM 846 CG PRO A 53 23.970 13.830 0.941 1.00 11.66 C ATOM 847 CD PRO A 53 23.297 12.575 0.442 1.00 10.51 C ATOM 0 HA PRO A 53 24.138 12.129 3.304 1.00 10.41 H new ATOM 0 HB2 PRO A 53 22.608 14.634 2.388 1.00 11.56 H new ATOM 0 HB3 PRO A 53 24.270 14.547 2.939 1.00 11.56 H new ATOM 0 HG2 PRO A 53 23.701 14.686 0.322 1.00 11.66 H new ATOM 0 HG3 PRO A 53 25.055 13.732 0.896 1.00 11.66 H new ATOM 0 HD2 PRO A 53 22.483 12.806 -0.245 1.00 10.51 H new ATOM 0 HD3 PRO A 53 23.996 11.935 -0.096 1.00 10.51 H new ATOM 855 N ASP A 54 21.049 13.104 3.719 1.00 9.86 N ATOM 856 CA ASP A 54 20.021 13.274 4.744 1.00 9.76 C ATOM 857 C ASP A 54 19.561 11.930 5.297 1.00 8.93 C ATOM 858 O ASP A 54 19.305 11.792 6.493 1.00 9.26 O ATOM 859 CB ASP A 54 18.828 14.025 4.161 1.00 9.71 C ATOM 860 CG ASP A 54 18.068 14.805 5.215 1.00 9.98 C ATOM 861 OD1 ASP A 54 18.601 15.810 5.720 1.00 10.64 O ATOM 862 OD2 ASP A 54 16.930 14.406 5.548 1.00 9.67 O ATOM 0 H ASP A 54 20.754 13.369 2.779 1.00 9.86 H new ATOM 0 HA ASP A 54 20.453 13.849 5.563 1.00 9.76 H new ATOM 0 HB2 ASP A 54 19.175 14.709 3.386 1.00 9.71 H new ATOM 0 HB3 ASP A 54 18.154 13.315 3.681 1.00 9.71 H new ATOM 867 N CYS A 55 19.495 10.938 4.422 1.00 8.04 N ATOM 868 CA CYS A 55 19.013 9.608 4.786 1.00 7.30 C ATOM 869 C CYS A 55 19.926 8.961 5.819 1.00 7.57 C ATOM 870 O CYS A 55 19.480 8.549 6.884 1.00 7.74 O ATOM 871 CB CYS A 55 18.931 8.709 3.553 1.00 6.46 C ATOM 872 SG CYS A 55 17.909 9.367 2.220 1.00 6.30 S ATOM 0 H CYS A 55 19.772 11.028 3.444 1.00 8.04 H new ATOM 0 HA CYS A 55 18.018 9.725 5.215 1.00 7.30 H new ATOM 0 HB2 CYS A 55 19.939 8.541 3.173 1.00 6.46 H new ATOM 0 HB3 CYS A 55 18.537 7.738 3.852 1.00 6.46 H new ATOM 0 HG CYS A 55 17.105 10.271 2.696 1.00 6.30 H new ATOM 878 N LYS A 56 21.210 8.886 5.509 1.00 7.87 N ATOM 879 CA LYS A 56 22.159 8.240 6.403 1.00 8.36 C ATOM 880 C LYS A 56 22.332 9.058 7.679 1.00 9.50 C ATOM 881 O LYS A 56 22.700 8.530 8.730 1.00 10.04 O ATOM 882 CB LYS A 56 23.495 8.027 5.695 1.00 8.58 C ATOM 883 CG LYS A 56 24.224 9.307 5.327 1.00 8.84 C ATOM 884 CD LYS A 56 24.715 9.265 3.891 1.00 8.68 C ATOM 885 CE LYS A 56 25.878 10.211 3.667 1.00 9.50 C ATOM 886 NZ LYS A 56 26.322 10.216 2.248 1.00 9.81 N ATOM 0 H LYS A 56 21.618 9.261 4.652 1.00 7.87 H new ATOM 0 HA LYS A 56 21.768 7.262 6.684 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.141 7.428 6.337 1.00 8.58 H new ATOM 0 HB3 LYS A 56 23.323 7.448 4.788 1.00 8.58 H new ATOM 0 HG2 LYS A 56 23.558 10.160 5.462 1.00 8.84 H new ATOM 0 HG3 LYS A 56 25.069 9.453 5.999 1.00 8.84 H new ATOM 0 HD2 LYS A 56 25.019 8.249 3.640 1.00 8.68 H new ATOM 0 HD3 LYS A 56 23.898 9.528 3.219 1.00 8.68 H new ATOM 0 HE2 LYS A 56 25.587 11.220 3.960 1.00 9.50 H new ATOM 0 HE3 LYS A 56 26.711 9.921 4.307 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 26.696 11.155 2.005 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 27.066 9.502 2.115 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 25.515 9.994 1.631 1.00 9.81 H new ATOM 900 N THR A 57 22.046 10.344 7.578 1.00 9.98 N ATOM 901 CA THR A 57 22.050 11.229 8.728 1.00 11.08 C ATOM 902 C THR A 57 20.984 10.812 9.750 1.00 11.16 C ATOM 903 O THR A 57 21.238 10.806 10.957 1.00 12.08 O ATOM 904 CB THR A 57 21.824 12.687 8.282 1.00 11.53 C ATOM 905 OG1 THR A 57 22.954 13.144 7.530 1.00 12.00 O ATOM 906 CG2 THR A 57 21.598 13.610 9.464 1.00 12.46 C ATOM 0 H THR A 57 21.805 10.803 6.699 1.00 9.98 H new ATOM 0 HA THR A 57 23.026 11.155 9.209 1.00 11.08 H new ATOM 0 HB THR A 57 20.927 12.708 7.662 1.00 11.53 H new ATOM 0 HG1 THR A 57 22.772 13.043 6.572 1.00 12.00 H new ATOM 0 HG21 THR A 57 21.443 14.628 9.106 1.00 12.46 H new ATOM 0 HG22 THR A 57 20.719 13.282 10.019 1.00 12.46 H new ATOM 0 HG23 THR A 57 22.470 13.584 10.118 1.00 12.46 H new ATOM 914 N ILE A 58 19.804 10.441 9.272 1.00 10.34 N ATOM 915 CA ILE A 58 18.727 10.040 10.171 1.00 10.60 C ATOM 916 C ILE A 58 18.848 8.571 10.577 1.00 10.65 C ATOM 917 O ILE A 58 18.319 8.168 11.612 1.00 11.46 O ATOM 918 CB ILE A 58 17.316 10.349 9.601 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.076 9.701 8.233 1.00 8.86 C ATOM 920 CG2 ILE A 58 17.111 11.852 9.506 1.00 10.22 C ATOM 921 CD1 ILE A 58 16.569 8.276 8.303 1.00 8.44 C ATOM 0 H ILE A 58 19.568 10.409 8.280 1.00 10.34 H new ATOM 0 HA ILE A 58 18.841 10.649 11.068 1.00 10.60 H new ATOM 0 HB ILE A 58 16.591 9.918 10.292 1.00 9.96 H new ATOM 0 HG12 ILE A 58 16.357 10.304 7.679 1.00 8.86 H new ATOM 0 HG13 ILE A 58 18.008 9.716 7.668 1.00 8.86 H new ATOM 0 HG21 ILE A 58 16.119 12.059 9.105 1.00 10.22 H new ATOM 0 HG22 ILE A 58 17.202 12.295 10.498 1.00 10.22 H new ATOM 0 HG23 ILE A 58 17.865 12.281 8.847 1.00 10.22 H new ATOM 0 HD11 ILE A 58 16.425 7.891 7.293 1.00 8.44 H new ATOM 0 HD12 ILE A 58 17.296 7.656 8.827 1.00 8.44 H new ATOM 0 HD13 ILE A 58 15.620 8.253 8.839 1.00 8.44 H new ATOM 933 N LEU A 59 19.550 7.775 9.771 1.00 9.90 N ATOM 934 CA LEU A 59 19.747 6.356 10.081 1.00 9.98 C ATOM 935 C LEU A 59 20.425 6.189 11.434 1.00 11.20 C ATOM 936 O LEU A 59 20.043 5.337 12.241 1.00 11.84 O ATOM 937 CB LEU A 59 20.598 5.667 9.011 1.00 9.07 C ATOM 938 CG LEU A 59 19.987 5.594 7.613 1.00 7.91 C ATOM 939 CD1 LEU A 59 20.896 4.803 6.684 1.00 7.28 C ATOM 940 CD2 LEU A 59 18.599 4.971 7.661 1.00 7.92 C ATOM 0 H LEU A 59 19.990 8.084 8.904 1.00 9.90 H new ATOM 0 HA LEU A 59 18.761 5.892 10.106 1.00 9.98 H new ATOM 0 HB2 LEU A 59 21.552 6.190 8.942 1.00 9.07 H new ATOM 0 HB3 LEU A 59 20.814 4.652 9.345 1.00 9.07 H new ATOM 0 HG LEU A 59 19.889 6.608 7.226 1.00 7.91 H new ATOM 0 HD11 LEU A 59 20.450 4.758 5.690 1.00 7.28 H new ATOM 0 HD12 LEU A 59 21.868 5.292 6.623 1.00 7.28 H new ATOM 0 HD13 LEU A 59 21.022 3.792 7.072 1.00 7.28 H new ATOM 0 HD21 LEU A 59 18.184 4.929 6.654 1.00 7.92 H new ATOM 0 HD22 LEU A 59 18.667 3.962 8.067 1.00 7.92 H new ATOM 0 HD23 LEU A 59 17.951 5.575 8.296 1.00 7.92 H new ATOM 952 N LYS A 60 21.428 7.016 11.684 1.00 11.67 N ATOM 953 CA LYS A 60 22.174 6.957 12.932 1.00 12.90 C ATOM 954 C LYS A 60 21.364 7.570 14.069 1.00 13.86 C ATOM 955 O LYS A 60 21.581 7.259 15.237 1.00 14.91 O ATOM 956 CB LYS A 60 23.520 7.666 12.774 1.00 13.23 C ATOM 957 CG LYS A 60 23.402 9.119 12.353 1.00 13.20 C ATOM 958 CD LYS A 60 24.715 9.654 11.811 1.00 13.44 C ATOM 959 CE LYS A 60 25.819 9.598 12.854 1.00 14.35 C ATOM 960 NZ LYS A 60 27.124 10.052 12.305 1.00 14.91 N ATOM 0 H LYS A 60 21.745 7.738 11.037 1.00 11.67 H new ATOM 0 HA LYS A 60 22.363 5.913 13.180 1.00 12.90 H new ATOM 0 HB2 LYS A 60 24.060 7.614 13.719 1.00 13.23 H new ATOM 0 HB3 LYS A 60 24.117 7.131 12.036 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.628 9.216 11.592 1.00 13.20 H new ATOM 0 HG3 LYS A 60 23.088 9.721 13.206 1.00 13.20 H new ATOM 0 HD2 LYS A 60 25.011 9.074 10.937 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.579 10.684 11.480 1.00 13.44 H new ATOM 0 HE2 LYS A 60 25.546 10.222 13.705 1.00 14.35 H new ATOM 0 HE3 LYS A 60 25.916 8.578 13.225 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 27.850 9.999 13.047 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 27.397 9.441 11.509 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 27.039 11.034 11.974 1.00 14.91 H new ATOM 974 N ALA A 61 20.404 8.415 13.712 1.00 13.54 N ATOM 975 CA ALA A 61 19.527 9.034 14.695 1.00 14.41 C ATOM 976 C ALA A 61 18.528 8.017 15.236 1.00 14.65 C ATOM 977 O ALA A 61 18.003 8.172 16.339 1.00 15.64 O ATOM 978 CB ALA A 61 18.802 10.226 14.088 1.00 14.06 C ATOM 0 H ALA A 61 20.214 8.687 12.747 1.00 13.54 H new ATOM 0 HA ALA A 61 20.137 9.390 15.525 1.00 14.41 H new ATOM 0 HB1 ALA A 61 18.151 10.676 14.837 1.00 14.06 H new ATOM 0 HB2 ALA A 61 19.531 10.963 13.751 1.00 14.06 H new ATOM 0 HB3 ALA A 61 18.203 9.894 13.240 1.00 14.06 H new ATOM 984 N LEU A 62 18.273 6.971 14.448 1.00 13.84 N ATOM 985 CA LEU A 62 17.394 5.884 14.865 1.00 14.21 C ATOM 986 C LEU A 62 18.017 5.104 16.018 1.00 14.97 C ATOM 987 O LEU A 62 17.313 4.466 16.801 1.00 15.72 O ATOM 988 CB LEU A 62 17.131 4.942 13.691 1.00 13.37 C ATOM 989 CG LEU A 62 16.521 5.595 12.450 1.00 12.15 C ATOM 990 CD1 LEU A 62 16.540 4.624 11.281 1.00 11.39 C ATOM 991 CD2 LEU A 62 15.099 6.058 12.735 1.00 12.25 C ATOM 0 H LEU A 62 18.666 6.856 13.514 1.00 13.84 H new ATOM 0 HA LEU A 62 16.450 6.315 15.200 1.00 14.21 H new ATOM 0 HB2 LEU A 62 18.072 4.471 13.407 1.00 13.37 H new ATOM 0 HB3 LEU A 62 16.465 4.147 14.027 1.00 13.37 H new ATOM 0 HG LEU A 62 17.119 6.467 12.187 1.00 12.15 H new ATOM 0 HD11 LEU A 62 16.103 5.102 10.404 1.00 11.39 H new ATOM 0 HD12 LEU A 62 17.569 4.337 11.063 1.00 11.39 H new ATOM 0 HD13 LEU A 62 15.962 3.736 11.536 1.00 11.39 H new ATOM 0 HD21 LEU A 62 14.681 6.520 11.841 1.00 12.25 H new ATOM 0 HD22 LEU A 62 14.488 5.202 13.021 1.00 12.25 H new ATOM 0 HD23 LEU A 62 15.109 6.784 13.548 1.00 12.25 H new ATOM 1003 N GLY A 63 19.340 5.150 16.111 1.00 14.89 N ATOM 1004 CA GLY A 63 20.024 4.466 17.187 1.00 15.66 C ATOM 1005 C GLY A 63 21.202 3.636 16.712 1.00 16.04 C ATOM 1006 O GLY A 63 22.342 4.093 16.762 1.00 16.17 O ATOM 0 H GLY A 63 19.949 5.648 15.461 1.00 14.89 H new ATOM 0 HA2 GLY A 63 20.374 5.201 17.912 1.00 15.66 H new ATOM 0 HA3 GLY A 63 19.317 3.819 17.705 1.00 15.66 H new ATOM 1010 N PRO A 64 20.953 2.408 16.228 1.00 16.36 N ATOM 1011 CA PRO A 64 22.016 1.469 15.848 1.00 16.89 C ATOM 1012 C PRO A 64 22.601 1.742 14.466 1.00 16.41 C ATOM 1013 O PRO A 64 23.442 0.987 13.978 1.00 16.65 O ATOM 1014 CB PRO A 64 21.289 0.129 15.854 1.00 17.44 C ATOM 1015 CG PRO A 64 19.898 0.467 15.443 1.00 16.99 C ATOM 1016 CD PRO A 64 19.612 1.828 16.020 1.00 16.40 C ATOM 0 HA PRO A 64 22.871 1.532 16.521 1.00 16.89 H new ATOM 0 HB2 PRO A 64 21.749 -0.577 15.162 1.00 17.44 H new ATOM 0 HB3 PRO A 64 21.312 -0.332 16.841 1.00 17.44 H new ATOM 0 HG2 PRO A 64 19.804 0.476 14.357 1.00 16.99 H new ATOM 0 HG3 PRO A 64 19.190 -0.272 15.818 1.00 16.99 H new ATOM 0 HD2 PRO A 64 19.015 2.434 15.339 1.00 16.40 H new ATOM 0 HD3 PRO A 64 19.056 1.758 16.955 1.00 16.40 H new ATOM 1024 N GLY A 65 22.145 2.812 13.835 1.00 15.83 N ATOM 1025 CA GLY A 65 22.613 3.137 12.503 1.00 15.53 C ATOM 1026 C GLY A 65 21.786 2.455 11.437 1.00 14.59 C ATOM 1027 O GLY A 65 22.195 2.394 10.277 1.00 14.42 O ATOM 0 H GLY A 65 21.459 3.462 14.220 1.00 15.83 H new ATOM 0 HA2 GLY A 65 22.575 4.217 12.357 1.00 15.53 H new ATOM 0 HA3 GLY A 65 23.656 2.838 12.401 1.00 15.53 H new ATOM 1031 N ALA A 66 20.622 1.945 11.857 1.00 14.15 N ATOM 1032 CA ALA A 66 19.684 1.252 10.975 1.00 13.39 C ATOM 1033 C ALA A 66 20.247 -0.088 10.508 1.00 13.11 C ATOM 1034 O ALA A 66 21.216 -0.152 9.755 1.00 12.58 O ATOM 1035 CB ALA A 66 19.305 2.129 9.794 1.00 12.24 C ATOM 0 H ALA A 66 20.305 2.004 12.825 1.00 14.15 H new ATOM 0 HA ALA A 66 18.779 1.046 11.546 1.00 13.39 H new ATOM 0 HB1 ALA A 66 18.607 1.593 9.152 1.00 12.24 H new ATOM 0 HB2 ALA A 66 18.836 3.044 10.156 1.00 12.24 H new ATOM 0 HB3 ALA A 66 20.200 2.381 9.226 1.00 12.24 H new ATOM 1041 N THR A 67 19.622 -1.159 10.974 1.00 13.60 N ATOM 1042 CA THR A 67 20.101 -2.506 10.712 1.00 13.52 C ATOM 1043 C THR A 67 19.771 -2.970 9.290 1.00 12.33 C ATOM 1044 O THR A 67 20.673 -3.151 8.475 1.00 11.64 O ATOM 1045 CB THR A 67 19.522 -3.490 11.743 1.00 14.67 C ATOM 1046 OG1 THR A 67 19.683 -2.945 13.062 1.00 15.33 O ATOM 1047 CG2 THR A 67 20.213 -4.843 11.662 1.00 15.45 C ATOM 0 H THR A 67 18.775 -1.119 11.540 1.00 13.60 H new ATOM 0 HA THR A 67 21.187 -2.487 10.804 1.00 13.52 H new ATOM 0 HB THR A 67 18.464 -3.636 11.524 1.00 14.67 H new ATOM 0 HG1 THR A 67 19.029 -2.229 13.202 1.00 15.33 H new ATOM 0 HG21 THR A 67 19.782 -5.517 12.403 1.00 15.45 H new ATOM 0 HG22 THR A 67 20.075 -5.263 10.666 1.00 15.45 H new ATOM 0 HG23 THR A 67 21.278 -4.720 11.860 1.00 15.45 H new ATOM 1055 N LEU A 68 18.493 -3.176 8.990 1.00 12.22 N ATOM 1056 CA LEU A 68 18.097 -3.577 7.644 1.00 11.25 C ATOM 1057 C LEU A 68 16.744 -2.978 7.277 1.00 11.10 C ATOM 1058 O LEU A 68 16.659 -2.133 6.388 1.00 10.12 O ATOM 1059 CB LEU A 68 18.071 -5.112 7.525 1.00 11.69 C ATOM 1060 CG LEU A 68 17.993 -5.695 6.099 1.00 10.84 C ATOM 1061 CD1 LEU A 68 16.591 -5.581 5.517 1.00 10.70 C ATOM 1062 CD2 LEU A 68 19.002 -5.013 5.184 1.00 9.79 C ATOM 0 H LEU A 68 17.722 -3.074 9.650 1.00 12.22 H new ATOM 0 HA LEU A 68 18.835 -3.193 6.939 1.00 11.25 H new ATOM 0 HB2 LEU A 68 18.967 -5.506 8.005 1.00 11.69 H new ATOM 0 HB3 LEU A 68 17.217 -5.483 8.091 1.00 11.69 H new ATOM 0 HG LEU A 68 18.238 -6.755 6.168 1.00 10.84 H new ATOM 0 HD11 LEU A 68 16.579 -6.003 4.512 1.00 10.70 H new ATOM 0 HD12 LEU A 68 15.890 -6.127 6.148 1.00 10.70 H new ATOM 0 HD13 LEU A 68 16.299 -4.532 5.474 1.00 10.70 H new ATOM 0 HD21 LEU A 68 18.931 -5.438 4.183 1.00 9.79 H new ATOM 0 HD22 LEU A 68 18.790 -3.945 5.140 1.00 9.79 H new ATOM 0 HD23 LEU A 68 20.008 -5.167 5.573 1.00 9.79 H new ATOM 1074 N GLU A 69 15.689 -3.377 7.980 1.00 12.16 N ATOM 1075 CA GLU A 69 14.350 -2.910 7.639 1.00 12.26 C ATOM 1076 C GLU A 69 14.204 -1.448 8.005 1.00 11.96 C ATOM 1077 O GLU A 69 13.407 -0.716 7.415 1.00 11.57 O ATOM 1078 CB GLU A 69 13.271 -3.748 8.334 1.00 13.61 C ATOM 1079 CG GLU A 69 13.360 -3.748 9.854 1.00 14.60 C ATOM 1080 CD GLU A 69 12.241 -4.532 10.506 1.00 15.86 C ATOM 1081 OE1 GLU A 69 12.175 -5.762 10.302 1.00 16.53 O ATOM 1082 OE2 GLU A 69 11.423 -3.925 11.231 1.00 16.24 O ATOM 0 H GLU A 69 15.733 -4.012 8.777 1.00 12.16 H new ATOM 0 HA GLU A 69 14.214 -3.024 6.564 1.00 12.26 H new ATOM 0 HB2 GLU A 69 12.291 -3.374 8.039 1.00 13.61 H new ATOM 0 HB3 GLU A 69 13.340 -4.776 7.978 1.00 13.61 H new ATOM 0 HG2 GLU A 69 14.318 -4.170 10.158 1.00 14.60 H new ATOM 0 HG3 GLU A 69 13.336 -2.720 10.215 1.00 14.60 H new ATOM 1089 N GLU A 70 15.005 -1.031 8.969 1.00 12.26 N ATOM 1090 CA GLU A 70 15.026 0.348 9.405 1.00 12.19 C ATOM 1091 C GLU A 70 15.510 1.238 8.273 1.00 10.92 C ATOM 1092 O GLU A 70 14.819 2.158 7.856 1.00 10.57 O ATOM 1093 CB GLU A 70 15.944 0.498 10.617 1.00 13.06 C ATOM 1094 CG GLU A 70 15.821 -0.639 11.617 1.00 14.21 C ATOM 1095 CD GLU A 70 16.660 -0.415 12.856 1.00 15.02 C ATOM 1096 OE1 GLU A 70 16.195 0.299 13.768 1.00 15.56 O ATOM 1097 OE2 GLU A 70 17.784 -0.951 12.923 1.00 15.23 O ATOM 0 H GLU A 70 15.655 -1.638 9.468 1.00 12.26 H new ATOM 0 HA GLU A 70 14.017 0.648 9.687 1.00 12.19 H new ATOM 0 HB2 GLU A 70 16.977 0.560 10.275 1.00 13.06 H new ATOM 0 HB3 GLU A 70 15.718 1.439 11.119 1.00 13.06 H new ATOM 0 HG2 GLU A 70 14.776 -0.753 11.906 1.00 14.21 H new ATOM 0 HG3 GLU A 70 16.124 -1.572 11.141 1.00 14.21 H new ATOM 1104 N MET A 71 16.684 0.913 7.748 1.00 10.30 N ATOM 1105 CA MET A 71 17.300 1.708 6.692 1.00 9.14 C ATOM 1106 C MET A 71 16.535 1.552 5.384 1.00 8.31 C ATOM 1107 O MET A 71 16.497 2.468 4.565 1.00 7.58 O ATOM 1108 CB MET A 71 18.777 1.320 6.501 1.00 8.85 C ATOM 1109 CG MET A 71 19.000 -0.125 6.083 1.00 8.69 C ATOM 1110 SD MET A 71 20.719 -0.647 6.244 1.00 8.41 S ATOM 1111 CE MET A 71 21.553 0.534 5.182 1.00 8.50 C ATOM 0 H MET A 71 17.231 0.102 8.037 1.00 10.30 H new ATOM 0 HA MET A 71 17.259 2.755 6.993 1.00 9.14 H new ATOM 0 HB2 MET A 71 19.217 1.975 5.749 1.00 8.85 H new ATOM 0 HB3 MET A 71 19.311 1.502 7.434 1.00 8.85 H new ATOM 0 HG2 MET A 71 18.370 -0.775 6.691 1.00 8.69 H new ATOM 0 HG3 MET A 71 18.683 -0.251 5.048 1.00 8.69 H new ATOM 0 HE1 MET A 71 22.071 0.003 4.383 1.00 8.50 H new ATOM 0 HE2 MET A 71 20.820 1.215 4.749 1.00 8.50 H new ATOM 0 HE3 MET A 71 22.275 1.103 5.767 1.00 8.50 H new ATOM 1121 N MET A 72 15.893 0.404 5.212 1.00 8.67 N ATOM 1122 CA MET A 72 15.152 0.132 3.990 1.00 8.32 C ATOM 1123 C MET A 72 13.931 1.030 3.919 1.00 8.63 C ATOM 1124 O MET A 72 13.572 1.538 2.856 1.00 8.10 O ATOM 1125 CB MET A 72 14.720 -1.332 3.928 1.00 9.08 C ATOM 1126 CG MET A 72 14.180 -1.744 2.567 1.00 9.10 C ATOM 1127 SD MET A 72 13.421 -3.378 2.574 1.00 10.28 S ATOM 1128 CE MET A 72 11.934 -3.047 3.515 1.00 11.15 C ATOM 0 H MET A 72 15.871 -0.349 5.899 1.00 8.67 H new ATOM 0 HA MET A 72 15.804 0.335 3.141 1.00 8.32 H new ATOM 0 HB2 MET A 72 15.570 -1.965 4.180 1.00 9.08 H new ATOM 0 HB3 MET A 72 13.955 -1.510 4.684 1.00 9.08 H new ATOM 0 HG2 MET A 72 13.445 -1.010 2.237 1.00 9.10 H new ATOM 0 HG3 MET A 72 14.993 -1.730 1.841 1.00 9.10 H new ATOM 0 HE1 MET A 72 11.198 -3.826 3.318 1.00 11.15 H new ATOM 0 HE2 MET A 72 12.172 -3.033 4.579 1.00 11.15 H new ATOM 0 HE3 MET A 72 11.526 -2.080 3.222 1.00 11.15 H new ATOM 1138 N THR A 73 13.315 1.227 5.068 1.00 9.62 N ATOM 1139 CA THR A 73 12.120 2.037 5.177 1.00 10.09 C ATOM 1140 C THR A 73 12.467 3.519 5.310 1.00 9.53 C ATOM 1141 O THR A 73 11.764 4.386 4.787 1.00 9.49 O ATOM 1142 CB THR A 73 11.295 1.593 6.398 1.00 11.37 C ATOM 1143 OG1 THR A 73 11.009 0.193 6.303 1.00 12.02 O ATOM 1144 CG2 THR A 73 9.994 2.377 6.497 1.00 11.93 C ATOM 0 H THR A 73 13.630 0.829 5.953 1.00 9.62 H new ATOM 0 HA THR A 73 11.536 1.899 4.267 1.00 10.09 H new ATOM 0 HB THR A 73 11.881 1.790 7.296 1.00 11.37 H new ATOM 0 HG1 THR A 73 11.765 -0.320 6.657 1.00 12.02 H new ATOM 0 HG21 THR A 73 9.432 2.042 7.369 1.00 11.93 H new ATOM 0 HG22 THR A 73 10.216 3.440 6.595 1.00 11.93 H new ATOM 0 HG23 THR A 73 9.400 2.212 5.598 1.00 11.93 H new ATOM 1152 N ALA A 74 13.559 3.799 6.005 1.00 9.27 N ATOM 1153 CA ALA A 74 13.947 5.166 6.311 1.00 9.02 C ATOM 1154 C ALA A 74 14.507 5.894 5.092 1.00 8.01 C ATOM 1155 O ALA A 74 14.034 6.971 4.741 1.00 8.00 O ATOM 1156 CB ALA A 74 14.961 5.174 7.442 1.00 9.32 C ATOM 0 H ALA A 74 14.196 3.091 6.370 1.00 9.27 H new ATOM 0 HA ALA A 74 13.050 5.702 6.620 1.00 9.02 H new ATOM 0 HB1 ALA A 74 15.248 6.201 7.666 1.00 9.32 H new ATOM 0 HB2 ALA A 74 14.521 4.718 8.329 1.00 9.32 H new ATOM 0 HB3 ALA A 74 15.843 4.608 7.143 1.00 9.32 H new ATOM 1162 N CYS A 75 15.496 5.293 4.437 1.00 7.31 N ATOM 1163 CA CYS A 75 16.202 5.950 3.337 1.00 6.51 C ATOM 1164 C CYS A 75 15.286 6.247 2.153 1.00 6.63 C ATOM 1165 O CYS A 75 15.565 7.145 1.362 1.00 6.46 O ATOM 1166 CB CYS A 75 17.383 5.099 2.876 1.00 5.86 C ATOM 1167 SG CYS A 75 18.663 4.873 4.127 1.00 6.16 S ATOM 0 H CYS A 75 15.828 4.352 4.647 1.00 7.31 H new ATOM 0 HA CYS A 75 16.565 6.904 3.720 1.00 6.51 H new ATOM 0 HB2 CYS A 75 17.014 4.121 2.569 1.00 5.86 H new ATOM 0 HB3 CYS A 75 17.829 5.562 1.996 1.00 5.86 H new ATOM 0 HG CYS A 75 18.348 3.871 4.894 1.00 6.16 H new ATOM 1173 N GLN A 76 14.198 5.502 2.015 1.00 7.27 N ATOM 1174 CA GLN A 76 13.287 5.740 0.907 1.00 7.76 C ATOM 1175 C GLN A 76 12.357 6.908 1.229 1.00 8.19 C ATOM 1176 O GLN A 76 11.563 6.847 2.166 1.00 8.73 O ATOM 1177 CB GLN A 76 12.482 4.478 0.565 1.00 8.60 C ATOM 1178 CG GLN A 76 11.653 3.935 1.716 1.00 9.19 C ATOM 1179 CD GLN A 76 10.745 2.798 1.297 1.00 10.10 C ATOM 1180 OE1 GLN A 76 9.608 3.022 0.888 1.00 10.49 O ATOM 1181 NE2 GLN A 76 11.229 1.575 1.417 1.00 10.66 N ATOM 0 H GLN A 76 13.929 4.744 2.642 1.00 7.27 H new ATOM 0 HA GLN A 76 13.880 5.998 0.029 1.00 7.76 H new ATOM 0 HB2 GLN A 76 11.820 4.699 -0.272 1.00 8.60 H new ATOM 0 HB3 GLN A 76 13.170 3.702 0.230 1.00 8.60 H new ATOM 0 HG2 GLN A 76 12.319 3.590 2.507 1.00 9.19 H new ATOM 0 HG3 GLN A 76 11.050 4.740 2.136 1.00 9.19 H new ATOM 0 HE21 GLN A 76 12.179 1.434 1.761 1.00 10.66 H new ATOM 0 HE22 GLN A 76 10.653 0.772 1.166 1.00 10.66 H new ATOM 1190 N GLY A 77 12.484 7.980 0.466 1.00 8.13 N ATOM 1191 CA GLY A 77 11.623 9.128 0.657 1.00 8.58 C ATOM 1192 C GLY A 77 12.352 10.312 1.259 1.00 8.30 C ATOM 1193 O GLY A 77 12.204 11.438 0.784 1.00 8.85 O ATOM 0 H GLY A 77 13.169 8.077 -0.284 1.00 8.13 H new ATOM 0 HA2 GLY A 77 11.195 9.420 -0.302 1.00 8.58 H new ATOM 0 HA3 GLY A 77 10.792 8.850 1.306 1.00 8.58 H new ATOM 1197 N VAL A 78 13.136 10.059 2.300 1.00 7.65 N ATOM 1198 CA VAL A 78 13.856 11.121 2.999 1.00 7.69 C ATOM 1199 C VAL A 78 14.831 11.824 2.061 1.00 8.18 C ATOM 1200 O VAL A 78 15.758 11.210 1.538 1.00 8.24 O ATOM 1201 CB VAL A 78 14.615 10.577 4.232 1.00 7.30 C ATOM 1202 CG1 VAL A 78 15.472 11.661 4.870 1.00 7.56 C ATOM 1203 CG2 VAL A 78 13.635 10.017 5.251 1.00 7.23 C ATOM 0 H VAL A 78 13.291 9.126 2.681 1.00 7.65 H new ATOM 0 HA VAL A 78 13.113 11.840 3.344 1.00 7.69 H new ATOM 0 HB VAL A 78 15.274 9.776 3.896 1.00 7.30 H new ATOM 0 HG11 VAL A 78 15.994 11.250 5.734 1.00 7.56 H new ATOM 0 HG12 VAL A 78 16.200 12.023 4.144 1.00 7.56 H new ATOM 0 HG13 VAL A 78 14.836 12.487 5.189 1.00 7.56 H new ATOM 0 HG21 VAL A 78 14.184 9.638 6.113 1.00 7.23 H new ATOM 0 HG22 VAL A 78 12.954 10.805 5.572 1.00 7.23 H new ATOM 0 HG23 VAL A 78 13.064 9.206 4.799 1.00 7.23 H new ATOM 1213 N GLY A 79 14.602 13.111 1.844 1.00 8.79 N ATOM 1214 CA GLY A 79 15.440 13.873 0.948 1.00 9.46 C ATOM 1215 C GLY A 79 14.801 14.037 -0.414 1.00 9.86 C ATOM 1216 O GLY A 79 15.243 14.858 -1.223 1.00 10.49 O ATOM 0 H GLY A 79 13.846 13.642 2.276 1.00 8.79 H new ATOM 0 HA2 GLY A 79 15.635 14.855 1.379 1.00 9.46 H new ATOM 0 HA3 GLY A 79 16.404 13.375 0.840 1.00 9.46 H new ATOM 1220 N GLY A 80 13.752 13.267 -0.661 1.00 9.69 N ATOM 1221 CA GLY A 80 13.083 13.309 -1.940 1.00 10.31 C ATOM 1222 C GLY A 80 11.573 13.272 -1.809 1.00 10.42 C ATOM 1223 O GLY A 80 10.977 14.204 -1.274 1.00 10.24 O ATOM 0 H GLY A 80 13.351 12.610 0.008 1.00 9.69 H new ATOM 0 HA2 GLY A 80 13.376 14.215 -2.470 1.00 10.31 H new ATOM 0 HA3 GLY A 80 13.412 12.465 -2.546 1.00 10.31 H new ATOM 1227 N PRO A 81 10.926 12.191 -2.269 1.00 10.92 N ATOM 1228 CA PRO A 81 9.467 12.098 -2.313 1.00 11.29 C ATOM 1229 C PRO A 81 8.837 11.618 -1.003 1.00 11.16 C ATOM 1230 O PRO A 81 8.039 10.680 -0.996 1.00 11.39 O ATOM 1231 CB PRO A 81 9.242 11.073 -3.421 1.00 12.10 C ATOM 1232 CG PRO A 81 10.411 10.149 -3.319 1.00 12.10 C ATOM 1233 CD PRO A 81 11.564 10.968 -2.793 1.00 11.39 C ATOM 0 HA PRO A 81 9.004 13.070 -2.482 1.00 11.29 H new ATOM 0 HB2 PRO A 81 8.301 10.540 -3.283 1.00 12.10 H new ATOM 0 HB3 PRO A 81 9.197 11.550 -4.400 1.00 12.10 H new ATOM 0 HG2 PRO A 81 10.190 9.317 -2.650 1.00 12.10 H new ATOM 0 HG3 PRO A 81 10.652 9.721 -4.292 1.00 12.10 H new ATOM 0 HD2 PRO A 81 12.108 10.436 -2.012 1.00 11.39 H new ATOM 0 HD3 PRO A 81 12.281 11.199 -3.581 1.00 11.39 H new ATOM 1241 N GLY A 82 9.184 12.259 0.103 1.00 10.99 N ATOM 1242 CA GLY A 82 8.544 11.923 1.357 1.00 11.07 C ATOM 1243 C GLY A 82 9.413 12.170 2.569 1.00 10.54 C ATOM 1244 O GLY A 82 10.145 11.281 3.006 1.00 10.90 O ATOM 0 H GLY A 82 9.887 12.996 0.155 1.00 10.99 H new ATOM 0 HA2 GLY A 82 7.627 12.505 1.454 1.00 11.07 H new ATOM 0 HA3 GLY A 82 8.254 10.872 1.337 1.00 11.07 H new ATOM 1248 N HIS A 83 9.321 13.369 3.129 1.00 9.87 N ATOM 1249 CA HIS A 83 10.053 13.697 4.346 1.00 9.50 C ATOM 1250 C HIS A 83 9.408 12.993 5.537 1.00 9.01 C ATOM 1251 O HIS A 83 8.696 13.606 6.331 1.00 8.60 O ATOM 1252 CB HIS A 83 10.076 15.216 4.568 1.00 9.28 C ATOM 1253 CG HIS A 83 10.968 15.652 5.691 1.00 9.71 C ATOM 1254 ND1 HIS A 83 12.337 15.751 5.569 1.00 9.88 N ATOM 1255 CD2 HIS A 83 10.684 16.013 6.965 1.00 10.26 C ATOM 1256 CE1 HIS A 83 12.854 16.151 6.714 1.00 10.48 C ATOM 1257 NE2 HIS A 83 11.874 16.317 7.576 1.00 10.71 N ATOM 0 H HIS A 83 8.748 14.129 2.761 1.00 9.87 H new ATOM 0 HA HIS A 83 11.083 13.354 4.244 1.00 9.50 H new ATOM 0 HB2 HIS A 83 10.401 15.703 3.649 1.00 9.28 H new ATOM 0 HB3 HIS A 83 9.061 15.559 4.769 1.00 9.28 H new ATOM 0 HD2 HIS A 83 9.703 16.054 7.416 1.00 10.26 H new ATOM 0 HE1 HIS A 83 13.903 16.315 6.911 1.00 10.48 H new ATOM 0 HE2 HIS A 83 11.982 16.623 8.543 1.00 10.71 H new ATOM 1266 N LYS A 84 9.679 11.703 5.667 1.00 9.30 N ATOM 1267 CA LYS A 84 9.044 10.883 6.688 1.00 9.11 C ATOM 1268 C LYS A 84 9.775 10.976 8.022 1.00 8.52 C ATOM 1269 O LYS A 84 9.537 10.170 8.914 1.00 8.22 O ATOM 1270 CB LYS A 84 8.979 9.422 6.237 1.00 9.97 C ATOM 1271 CG LYS A 84 10.345 8.781 6.049 1.00 10.46 C ATOM 1272 CD LYS A 84 10.232 7.309 5.688 1.00 11.30 C ATOM 1273 CE LYS A 84 9.511 7.109 4.365 1.00 11.85 C ATOM 1274 NZ LYS A 84 9.525 5.685 3.940 1.00 12.21 N ATOM 0 H LYS A 84 10.339 11.199 5.074 1.00 9.30 H new ATOM 0 HA LYS A 84 8.033 11.265 6.828 1.00 9.11 H new ATOM 0 HB2 LYS A 84 8.416 8.848 6.973 1.00 9.97 H new ATOM 0 HB3 LYS A 84 8.428 9.364 5.298 1.00 9.97 H new ATOM 0 HG2 LYS A 84 10.889 9.307 5.264 1.00 10.46 H new ATOM 0 HG3 LYS A 84 10.926 8.887 6.965 1.00 10.46 H new ATOM 0 HD2 LYS A 84 11.228 6.871 5.629 1.00 11.30 H new ATOM 0 HD3 LYS A 84 9.697 6.781 6.477 1.00 11.30 H new ATOM 0 HE2 LYS A 84 8.480 7.451 4.457 1.00 11.85 H new ATOM 0 HE3 LYS A 84 9.983 7.722 3.597 1.00 11.85 H new ATOM 0 HZ1 LYS A 84 9.210 5.615 2.951 1.00 12.21 H new ATOM 0 HZ2 LYS A 84 10.490 5.307 4.023 1.00 12.21 H new ATOM 0 HZ3 LYS A 84 8.885 5.135 4.547 1.00 12.21 H new ATOM 1288 N ALA A 85 10.658 11.957 8.158 1.00 8.58 N ATOM 1289 CA ALA A 85 11.372 12.167 9.413 1.00 8.36 C ATOM 1290 C ALA A 85 10.383 12.449 10.538 1.00 7.63 C ATOM 1291 O ALA A 85 10.559 11.995 11.668 1.00 7.43 O ATOM 1292 CB ALA A 85 12.369 13.306 9.276 1.00 8.99 C ATOM 0 H ALA A 85 10.897 12.618 7.419 1.00 8.58 H new ATOM 0 HA ALA A 85 11.925 11.260 9.656 1.00 8.36 H new ATOM 0 HB1 ALA A 85 12.892 13.448 10.222 1.00 8.99 H new ATOM 0 HB2 ALA A 85 13.091 13.066 8.495 1.00 8.99 H new ATOM 0 HB3 ALA A 85 11.841 14.222 9.013 1.00 8.99 H new ATOM 1298 N ARG A 86 9.327 13.182 10.203 1.00 7.48 N ATOM 1299 CA ARG A 86 8.247 13.465 11.138 1.00 7.14 C ATOM 1300 C ARG A 86 7.533 12.174 11.524 1.00 6.68 C ATOM 1301 O ARG A 86 7.164 11.978 12.680 1.00 6.49 O ATOM 1302 CB ARG A 86 7.256 14.445 10.503 1.00 7.54 C ATOM 1303 CG ARG A 86 6.104 14.843 11.410 1.00 7.94 C ATOM 1304 CD ARG A 86 5.139 15.769 10.690 1.00 8.47 C ATOM 1305 NE ARG A 86 3.995 16.129 11.523 1.00 9.09 N ATOM 1306 CZ ARG A 86 2.724 15.896 11.192 1.00 9.85 C ATOM 1307 NH1 ARG A 86 2.430 15.235 10.080 1.00 10.10 N ATOM 1308 NH2 ARG A 86 1.746 16.307 11.988 1.00 10.56 N ATOM 0 H ARG A 86 9.197 13.595 9.279 1.00 7.48 H new ATOM 0 HA ARG A 86 8.666 13.914 12.038 1.00 7.14 H new ATOM 0 HB2 ARG A 86 7.794 15.344 10.202 1.00 7.54 H new ATOM 0 HB3 ARG A 86 6.851 13.997 9.595 1.00 7.54 H new ATOM 0 HG2 ARG A 86 5.575 13.951 11.745 1.00 7.94 H new ATOM 0 HG3 ARG A 86 6.492 15.337 12.301 1.00 7.94 H new ATOM 0 HD2 ARG A 86 5.665 16.674 10.387 1.00 8.47 H new ATOM 0 HD3 ARG A 86 4.785 15.286 9.779 1.00 8.47 H new ATOM 0 HE ARG A 86 4.180 16.588 12.415 1.00 9.09 H new ATOM 0 HH11 ARG A 86 3.178 14.901 9.472 1.00 10.10 H new ATOM 0 HH12 ARG A 86 1.456 15.060 9.833 1.00 10.10 H new ATOM 0 HH21 ARG A 86 1.966 16.801 12.853 1.00 10.56 H new ATOM 0 HH22 ARG A 86 0.774 16.129 11.735 1.00 10.56 H new ATOM 1322 N VAL A 87 7.368 11.291 10.547 1.00 6.80 N ATOM 1323 CA VAL A 87 6.715 10.007 10.766 1.00 6.75 C ATOM 1324 C VAL A 87 7.600 9.104 11.618 1.00 6.55 C ATOM 1325 O VAL A 87 7.117 8.376 12.479 1.00 6.49 O ATOM 1326 CB VAL A 87 6.401 9.298 9.429 1.00 7.42 C ATOM 1327 CG1 VAL A 87 5.659 7.991 9.667 1.00 7.80 C ATOM 1328 CG2 VAL A 87 5.596 10.210 8.514 1.00 7.90 C ATOM 0 H VAL A 87 7.680 11.443 9.588 1.00 6.80 H new ATOM 0 HA VAL A 87 5.776 10.200 11.285 1.00 6.75 H new ATOM 0 HB VAL A 87 7.347 9.067 8.940 1.00 7.42 H new ATOM 0 HG11 VAL A 87 5.450 7.512 8.711 1.00 7.80 H new ATOM 0 HG12 VAL A 87 6.274 7.330 10.278 1.00 7.80 H new ATOM 0 HG13 VAL A 87 4.721 8.194 10.184 1.00 7.80 H new ATOM 0 HG21 VAL A 87 5.385 9.692 7.578 1.00 7.90 H new ATOM 0 HG22 VAL A 87 4.658 10.477 9.000 1.00 7.90 H new ATOM 0 HG23 VAL A 87 6.168 11.115 8.307 1.00 7.90 H new ATOM 1338 N LEU A 88 8.902 9.172 11.376 1.00 6.74 N ATOM 1339 CA LEU A 88 9.867 8.383 12.129 1.00 6.96 C ATOM 1340 C LEU A 88 9.877 8.811 13.585 1.00 6.75 C ATOM 1341 O LEU A 88 9.758 7.983 14.489 1.00 6.87 O ATOM 1342 CB LEU A 88 11.268 8.530 11.530 1.00 7.72 C ATOM 1343 CG LEU A 88 11.421 8.023 10.096 1.00 8.06 C ATOM 1344 CD1 LEU A 88 12.849 8.216 9.610 1.00 8.65 C ATOM 1345 CD2 LEU A 88 11.019 6.558 10.000 1.00 8.66 C ATOM 0 H LEU A 88 9.316 9.769 10.660 1.00 6.74 H new ATOM 0 HA LEU A 88 9.572 7.335 12.071 1.00 6.96 H new ATOM 0 HB2 LEU A 88 11.549 9.583 11.558 1.00 7.72 H new ATOM 0 HB3 LEU A 88 11.975 7.995 12.165 1.00 7.72 H new ATOM 0 HG LEU A 88 10.758 8.604 9.455 1.00 8.06 H new ATOM 0 HD11 LEU A 88 12.938 7.849 8.587 1.00 8.65 H new ATOM 0 HD12 LEU A 88 13.103 9.276 9.639 1.00 8.65 H new ATOM 0 HD13 LEU A 88 13.531 7.662 10.255 1.00 8.65 H new ATOM 0 HD21 LEU A 88 11.135 6.216 8.972 1.00 8.66 H new ATOM 0 HD22 LEU A 88 11.655 5.962 10.655 1.00 8.66 H new ATOM 0 HD23 LEU A 88 9.979 6.445 10.305 1.00 8.66 H new ATOM 1357 N ALA A 89 9.999 10.112 13.803 1.00 6.75 N ATOM 1358 CA ALA A 89 9.959 10.670 15.146 1.00 6.99 C ATOM 1359 C ALA A 89 8.620 10.364 15.807 1.00 6.71 C ATOM 1360 O ALA A 89 8.535 10.188 17.024 1.00 7.11 O ATOM 1361 CB ALA A 89 10.203 12.171 15.101 1.00 7.41 C ATOM 0 H ALA A 89 10.127 10.803 13.064 1.00 6.75 H new ATOM 0 HA ALA A 89 10.749 10.210 15.740 1.00 6.99 H new ATOM 0 HB1 ALA A 89 10.170 12.575 16.113 1.00 7.41 H new ATOM 0 HB2 ALA A 89 11.182 12.368 14.663 1.00 7.41 H new ATOM 0 HB3 ALA A 89 9.432 12.647 14.495 1.00 7.41 H new ATOM 1367 N GLU A 90 7.578 10.286 14.991 1.00 6.35 N ATOM 1368 CA GLU A 90 6.245 9.967 15.473 1.00 6.46 C ATOM 1369 C GLU A 90 6.163 8.496 15.875 1.00 6.45 C ATOM 1370 O GLU A 90 5.599 8.158 16.912 1.00 6.84 O ATOM 1371 CB GLU A 90 5.212 10.278 14.387 1.00 6.55 C ATOM 1372 CG GLU A 90 3.777 10.033 14.812 1.00 7.09 C ATOM 1373 CD GLU A 90 3.341 10.938 15.944 1.00 7.80 C ATOM 1374 OE1 GLU A 90 3.151 12.148 15.706 1.00 8.05 O ATOM 1375 OE2 GLU A 90 3.180 10.446 17.078 1.00 8.34 O ATOM 0 H GLU A 90 7.633 10.441 13.984 1.00 6.35 H new ATOM 0 HA GLU A 90 6.032 10.577 16.351 1.00 6.46 H new ATOM 0 HB2 GLU A 90 5.318 11.320 14.087 1.00 6.55 H new ATOM 0 HB3 GLU A 90 5.429 9.670 13.509 1.00 6.55 H new ATOM 0 HG2 GLU A 90 3.118 10.184 13.957 1.00 7.09 H new ATOM 0 HG3 GLU A 90 3.666 8.993 15.120 1.00 7.09 H new ATOM 1382 N ALA A 91 6.779 7.635 15.072 1.00 6.32 N ATOM 1383 CA ALA A 91 6.708 6.197 15.282 1.00 6.63 C ATOM 1384 C ALA A 91 7.534 5.809 16.487 1.00 6.98 C ATOM 1385 O ALA A 91 7.220 4.855 17.194 1.00 7.39 O ATOM 1386 CB ALA A 91 7.183 5.451 14.044 1.00 6.88 C ATOM 0 H ALA A 91 7.337 7.913 14.264 1.00 6.32 H new ATOM 0 HA ALA A 91 5.670 5.921 15.466 1.00 6.63 H new ATOM 0 HB1 ALA A 91 7.122 4.377 14.221 1.00 6.88 H new ATOM 0 HB2 ALA A 91 6.552 5.715 13.195 1.00 6.88 H new ATOM 0 HB3 ALA A 91 8.215 5.725 13.828 1.00 6.88 H new ATOM 1392 N MET A 92 8.582 6.583 16.726 1.00 7.07 N ATOM 1393 CA MET A 92 9.430 6.384 17.899 1.00 7.77 C ATOM 1394 C MET A 92 8.633 6.650 19.170 1.00 8.07 C ATOM 1395 O MET A 92 8.928 6.106 20.230 1.00 8.75 O ATOM 1396 CB MET A 92 10.659 7.297 17.853 1.00 8.13 C ATOM 1397 CG MET A 92 11.653 6.933 16.762 1.00 8.95 C ATOM 1398 SD MET A 92 13.102 8.008 16.743 1.00 9.67 S ATOM 1399 CE MET A 92 13.821 7.647 18.345 1.00 10.32 C ATOM 0 H MET A 92 8.868 7.356 16.125 1.00 7.07 H new ATOM 0 HA MET A 92 9.774 5.350 17.898 1.00 7.77 H new ATOM 0 HB2 MET A 92 10.331 8.326 17.704 1.00 8.13 H new ATOM 0 HB3 MET A 92 11.164 7.260 18.818 1.00 8.13 H new ATOM 0 HG2 MET A 92 11.975 5.901 16.901 1.00 8.95 H new ATOM 0 HG3 MET A 92 11.156 6.985 15.793 1.00 8.95 H new ATOM 0 HE1 MET A 92 14.866 7.956 18.353 1.00 10.32 H new ATOM 0 HE2 MET A 92 13.277 8.189 19.119 1.00 10.32 H new ATOM 0 HE3 MET A 92 13.758 6.576 18.539 1.00 10.32 H new ATOM 1409 N SER A 93 7.628 7.502 19.050 1.00 7.80 N ATOM 1410 CA SER A 93 6.730 7.799 20.153 1.00 8.38 C ATOM 1411 C SER A 93 5.604 6.763 20.225 1.00 8.44 C ATOM 1412 O SER A 93 4.998 6.549 21.276 1.00 9.14 O ATOM 1413 CB SER A 93 6.157 9.209 19.981 1.00 8.44 C ATOM 1414 OG SER A 93 5.298 9.561 21.051 1.00 8.68 O ATOM 0 H SER A 93 7.413 8.005 18.189 1.00 7.80 H new ATOM 0 HA SER A 93 7.287 7.754 21.089 1.00 8.38 H new ATOM 0 HB2 SER A 93 6.974 9.928 19.919 1.00 8.44 H new ATOM 0 HB3 SER A 93 5.609 9.267 19.041 1.00 8.44 H new ATOM 0 HG SER A 93 4.952 10.467 20.909 1.00 8.68 H new ATOM 1420 N GLN A 94 5.341 6.110 19.101 1.00 7.90 N ATOM 1421 CA GLN A 94 4.236 5.165 18.999 1.00 8.16 C ATOM 1422 C GLN A 94 4.622 3.782 19.505 1.00 8.55 C ATOM 1423 O GLN A 94 3.752 2.961 19.768 1.00 9.08 O ATOM 1424 CB GLN A 94 3.727 5.074 17.558 1.00 7.85 C ATOM 1425 CG GLN A 94 3.143 6.378 17.041 1.00 8.03 C ATOM 1426 CD GLN A 94 2.040 6.921 17.929 1.00 8.38 C ATOM 1427 OE1 GLN A 94 1.306 6.167 18.569 1.00 8.64 O ATOM 1428 NE2 GLN A 94 1.929 8.236 17.993 1.00 8.68 N ATOM 0 H GLN A 94 5.881 6.218 18.242 1.00 7.90 H new ATOM 0 HA GLN A 94 3.435 5.542 19.635 1.00 8.16 H new ATOM 0 HB2 GLN A 94 4.548 4.770 16.909 1.00 7.85 H new ATOM 0 HB3 GLN A 94 2.967 4.295 17.497 1.00 7.85 H new ATOM 0 HG2 GLN A 94 3.937 7.120 16.961 1.00 8.03 H new ATOM 0 HG3 GLN A 94 2.750 6.222 16.036 1.00 8.03 H new ATOM 0 HE21 GLN A 94 2.556 8.828 17.448 1.00 8.68 H new ATOM 0 HE22 GLN A 94 1.217 8.659 18.588 1.00 8.68 H new ATOM 1437 N VAL A 95 5.925 3.521 19.622 1.00 8.52 N ATOM 1438 CA VAL A 95 6.424 2.214 20.075 1.00 9.16 C ATOM 1439 C VAL A 95 5.851 1.810 21.437 1.00 9.86 C ATOM 1440 O VAL A 95 5.841 0.627 21.787 1.00 10.49 O ATOM 1441 CB VAL A 95 7.966 2.179 20.150 1.00 9.36 C ATOM 1442 CG1 VAL A 95 8.577 2.392 18.773 1.00 9.64 C ATOM 1443 CG2 VAL A 95 8.485 3.215 21.135 1.00 9.49 C ATOM 0 H VAL A 95 6.659 4.197 19.410 1.00 8.52 H new ATOM 0 HA VAL A 95 6.085 1.498 19.326 1.00 9.16 H new ATOM 0 HB VAL A 95 8.265 1.193 20.507 1.00 9.36 H new ATOM 0 HG11 VAL A 95 9.664 2.364 18.849 1.00 9.64 H new ATOM 0 HG12 VAL A 95 8.240 1.604 18.099 1.00 9.64 H new ATOM 0 HG13 VAL A 95 8.266 3.361 18.383 1.00 9.64 H new ATOM 0 HG21 VAL A 95 9.574 3.171 21.170 1.00 9.49 H new ATOM 0 HG22 VAL A 95 8.172 4.209 20.816 1.00 9.49 H new ATOM 0 HG23 VAL A 95 8.081 3.009 22.126 1.00 9.49 H new ATOM 1453 N THR A 96 5.390 2.791 22.206 1.00 9.91 N ATOM 1454 CA THR A 96 4.748 2.528 23.486 1.00 10.78 C ATOM 1455 C THR A 96 3.413 1.814 23.270 1.00 11.00 C ATOM 1456 O THR A 96 2.977 1.006 24.090 1.00 11.80 O ATOM 1457 CB THR A 96 4.502 3.842 24.248 1.00 11.07 C ATOM 1458 OG1 THR A 96 5.668 4.674 24.162 1.00 10.84 O ATOM 1459 CG2 THR A 96 4.177 3.577 25.710 1.00 11.70 C ATOM 0 H THR A 96 5.450 3.780 21.962 1.00 9.91 H new ATOM 0 HA THR A 96 5.410 1.893 24.074 1.00 10.78 H new ATOM 0 HB THR A 96 3.650 4.346 23.792 1.00 11.07 H new ATOM 0 HG1 THR A 96 5.509 5.511 24.646 1.00 10.84 H new ATOM 0 HG21 THR A 96 4.008 4.524 26.223 1.00 11.70 H new ATOM 0 HG22 THR A 96 3.279 2.963 25.778 1.00 11.70 H new ATOM 0 HG23 THR A 96 5.010 3.054 26.179 1.00 11.70 H new ATOM 1467 N ASN A 97 2.791 2.106 22.140 1.00 10.45 N ATOM 1468 CA ASN A 97 1.494 1.548 21.786 1.00 10.82 C ATOM 1469 C ASN A 97 1.668 0.453 20.743 1.00 10.83 C ATOM 1470 O ASN A 97 2.677 0.411 20.041 1.00 10.47 O ATOM 1471 CB ASN A 97 0.582 2.645 21.222 1.00 10.70 C ATOM 1472 CG ASN A 97 0.062 3.604 22.276 1.00 11.05 C ATOM 1473 OD1 ASN A 97 0.718 3.872 23.284 1.00 11.34 O ATOM 1474 ND2 ASN A 97 -1.132 4.131 22.047 1.00 11.26 N ATOM 0 H ASN A 97 3.173 2.740 21.438 1.00 10.45 H new ATOM 0 HA ASN A 97 1.039 1.128 22.683 1.00 10.82 H new ATOM 0 HB2 ASN A 97 1.130 3.210 20.468 1.00 10.70 H new ATOM 0 HB3 ASN A 97 -0.264 2.179 20.718 1.00 10.70 H new ATOM 0 HD21 ASN A 97 -1.539 4.783 22.717 1.00 11.26 H new ATOM 0 HD22 ASN A 97 -1.644 3.884 21.200 1.00 11.26 H new ATOM 1481 N PRO A 98 0.685 -0.451 20.617 1.00 11.40 N ATOM 1482 CA PRO A 98 0.721 -1.522 19.613 1.00 11.59 C ATOM 1483 C PRO A 98 0.456 -1.008 18.195 1.00 11.38 C ATOM 1484 O PRO A 98 0.094 -1.775 17.299 1.00 11.57 O ATOM 1485 CB PRO A 98 -0.403 -2.456 20.061 1.00 12.45 C ATOM 1486 CG PRO A 98 -1.362 -1.571 20.774 1.00 12.70 C ATOM 1487 CD PRO A 98 -0.527 -0.524 21.456 1.00 12.08 C ATOM 0 HA PRO A 98 1.700 -1.998 19.560 1.00 11.59 H new ATOM 0 HB2 PRO A 98 -0.874 -2.947 19.209 1.00 12.45 H new ATOM 0 HB3 PRO A 98 -0.028 -3.243 20.715 1.00 12.45 H new ATOM 0 HG2 PRO A 98 -2.066 -1.116 20.077 1.00 12.70 H new ATOM 0 HG3 PRO A 98 -1.950 -2.135 21.498 1.00 12.70 H new ATOM 0 HD2 PRO A 98 -1.043 0.435 21.500 1.00 12.08 H new ATOM 0 HD3 PRO A 98 -0.289 -0.806 22.482 1.00 12.08 H new ATOM 1495 N ALA A 99 0.648 0.291 17.999 1.00 11.13 N ATOM 1496 CA ALA A 99 0.442 0.920 16.703 1.00 11.14 C ATOM 1497 C ALA A 99 1.574 0.564 15.750 1.00 10.78 C ATOM 1498 O ALA A 99 1.360 0.396 14.550 1.00 10.91 O ATOM 1499 CB ALA A 99 0.331 2.429 16.859 1.00 11.25 C ATOM 0 H ALA A 99 0.949 0.934 18.731 1.00 11.13 H new ATOM 0 HA ALA A 99 -0.491 0.546 16.282 1.00 11.14 H new ATOM 0 HB1 ALA A 99 0.177 2.886 15.881 1.00 11.25 H new ATOM 0 HB2 ALA A 99 -0.512 2.667 17.507 1.00 11.25 H new ATOM 0 HB3 ALA A 99 1.249 2.818 17.300 1.00 11.25 H new ATOM 1505 N THR A 100 2.774 0.423 16.298 1.00 10.51 N ATOM 1506 CA THR A 100 3.940 0.064 15.508 1.00 10.39 C ATOM 1507 C THR A 100 3.847 -1.391 15.068 1.00 10.51 C ATOM 1508 O THR A 100 4.386 -1.790 14.037 1.00 10.58 O ATOM 1509 CB THR A 100 5.227 0.287 16.314 1.00 10.40 C ATOM 1510 OG1 THR A 100 5.038 -0.180 17.658 1.00 10.60 O ATOM 1511 CG2 THR A 100 5.609 1.759 16.328 1.00 10.63 C ATOM 0 H THR A 100 2.964 0.553 17.292 1.00 10.51 H new ATOM 0 HA THR A 100 3.968 0.702 14.625 1.00 10.39 H new ATOM 0 HB THR A 100 6.035 -0.272 15.842 1.00 10.40 H new ATOM 0 HG1 THR A 100 5.911 -0.341 18.074 1.00 10.60 H new ATOM 0 HG21 THR A 100 6.524 1.892 16.905 1.00 10.63 H new ATOM 0 HG22 THR A 100 5.771 2.103 15.306 1.00 10.63 H new ATOM 0 HG23 THR A 100 4.806 2.339 16.783 1.00 10.63 H new ATOM 1519 N ILE A 101 3.134 -2.170 15.862 1.00 10.71 N ATOM 1520 CA ILE A 101 2.884 -3.566 15.547 1.00 11.06 C ATOM 1521 C ILE A 101 1.814 -3.664 14.471 1.00 11.17 C ATOM 1522 O ILE A 101 1.896 -4.479 13.551 1.00 11.41 O ATOM 1523 CB ILE A 101 2.414 -4.339 16.795 1.00 11.57 C ATOM 1524 CG1 ILE A 101 3.368 -4.096 17.968 1.00 11.88 C ATOM 1525 CG2 ILE A 101 2.301 -5.827 16.497 1.00 11.78 C ATOM 1526 CD1 ILE A 101 4.767 -4.639 17.752 1.00 12.53 C ATOM 0 H ILE A 101 2.715 -1.856 16.737 1.00 10.71 H new ATOM 0 HA ILE A 101 3.816 -4.006 15.192 1.00 11.06 H new ATOM 0 HB ILE A 101 1.426 -3.971 17.072 1.00 11.57 H new ATOM 0 HG12 ILE A 101 3.431 -3.024 18.155 1.00 11.88 H new ATOM 0 HG13 ILE A 101 2.948 -4.552 18.864 1.00 11.88 H new ATOM 0 HG21 ILE A 101 1.968 -6.353 17.392 1.00 11.78 H new ATOM 0 HG22 ILE A 101 1.580 -5.984 15.694 1.00 11.78 H new ATOM 0 HG23 ILE A 101 3.274 -6.212 16.191 1.00 11.78 H new ATOM 0 HD11 ILE A 101 5.379 -4.426 18.628 1.00 12.53 H new ATOM 0 HD12 ILE A 101 4.719 -5.717 17.596 1.00 12.53 H new ATOM 0 HD13 ILE A 101 5.210 -4.165 16.876 1.00 12.53 H new ATOM 1538 N MET A 102 0.807 -2.815 14.603 1.00 11.16 N ATOM 1539 CA MET A 102 -0.287 -2.752 13.644 1.00 11.48 C ATOM 1540 C MET A 102 0.211 -2.321 12.269 1.00 11.29 C ATOM 1541 O MET A 102 -0.156 -2.913 11.253 1.00 11.61 O ATOM 1542 CB MET A 102 -1.361 -1.780 14.137 1.00 11.78 C ATOM 1543 CG MET A 102 -2.543 -1.647 13.191 1.00 12.25 C ATOM 1544 SD MET A 102 -3.772 -0.469 13.781 1.00 12.74 S ATOM 1545 CE MET A 102 -4.933 -0.508 12.420 1.00 13.25 C ATOM 0 H MET A 102 0.724 -2.152 15.374 1.00 11.16 H new ATOM 0 HA MET A 102 -0.716 -3.750 13.554 1.00 11.48 H new ATOM 0 HB2 MET A 102 -1.721 -2.113 15.110 1.00 11.78 H new ATOM 0 HB3 MET A 102 -0.911 -0.798 14.283 1.00 11.78 H new ATOM 0 HG2 MET A 102 -2.185 -1.333 12.210 1.00 12.25 H new ATOM 0 HG3 MET A 102 -3.012 -2.622 13.062 1.00 12.25 H new ATOM 0 HE1 MET A 102 -5.760 0.171 12.628 1.00 13.25 H new ATOM 0 HE2 MET A 102 -4.430 -0.198 11.504 1.00 13.25 H new ATOM 0 HE3 MET A 102 -5.317 -1.521 12.298 1.00 13.25 H new ATOM 1555 N ILE A 103 1.066 -1.305 12.239 1.00 10.93 N ATOM 1556 CA ILE A 103 1.542 -0.762 10.972 1.00 10.95 C ATOM 1557 C ILE A 103 2.510 -1.737 10.303 1.00 10.91 C ATOM 1558 O ILE A 103 2.647 -1.749 9.082 1.00 11.12 O ATOM 1559 CB ILE A 103 2.209 0.626 11.147 1.00 10.89 C ATOM 1560 CG1 ILE A 103 2.440 1.283 9.781 1.00 11.10 C ATOM 1561 CG2 ILE A 103 3.523 0.506 11.908 1.00 11.06 C ATOM 1562 CD1 ILE A 103 3.022 2.679 9.864 1.00 11.41 C ATOM 0 H ILE A 103 1.441 -0.844 13.068 1.00 10.93 H new ATOM 0 HA ILE A 103 0.672 -0.626 10.330 1.00 10.95 H new ATOM 0 HB ILE A 103 1.536 1.256 11.729 1.00 10.89 H new ATOM 0 HG12 ILE A 103 3.110 0.654 9.195 1.00 11.10 H new ATOM 0 HG13 ILE A 103 1.492 1.326 9.244 1.00 11.10 H new ATOM 0 HG21 ILE A 103 3.971 1.493 12.018 1.00 11.06 H new ATOM 0 HG22 ILE A 103 3.335 0.081 12.894 1.00 11.06 H new ATOM 0 HG23 ILE A 103 4.204 -0.143 11.358 1.00 11.06 H new ATOM 0 HD11 ILE A 103 3.157 3.077 8.858 1.00 11.41 H new ATOM 0 HD12 ILE A 103 2.343 3.324 10.422 1.00 11.41 H new ATOM 0 HD13 ILE A 103 3.986 2.642 10.372 1.00 11.41 H new ATOM 1574 N GLN A 104 3.155 -2.573 11.112 1.00 10.83 N ATOM 1575 CA GLN A 104 4.057 -3.595 10.602 1.00 11.03 C ATOM 1576 C GLN A 104 3.303 -4.572 9.705 1.00 11.28 C ATOM 1577 O GLN A 104 3.791 -4.962 8.642 1.00 11.50 O ATOM 1578 CB GLN A 104 4.716 -4.339 11.764 1.00 11.19 C ATOM 1579 CG GLN A 104 5.534 -5.547 11.340 1.00 11.48 C ATOM 1580 CD GLN A 104 6.225 -6.211 12.510 1.00 11.71 C ATOM 1581 OE1 GLN A 104 5.661 -7.083 13.167 1.00 11.93 O ATOM 1582 NE2 GLN A 104 7.458 -5.814 12.770 1.00 11.88 N ATOM 0 H GLN A 104 3.067 -2.560 12.128 1.00 10.83 H new ATOM 0 HA GLN A 104 4.833 -3.112 10.008 1.00 11.03 H new ATOM 0 HB2 GLN A 104 5.362 -3.647 12.305 1.00 11.19 H new ATOM 0 HB3 GLN A 104 3.942 -4.663 12.460 1.00 11.19 H new ATOM 0 HG2 GLN A 104 4.883 -6.269 10.848 1.00 11.48 H new ATOM 0 HG3 GLN A 104 6.280 -5.239 10.607 1.00 11.48 H new ATOM 0 HE21 GLN A 104 7.890 -5.087 12.200 1.00 11.88 H new ATOM 0 HE22 GLN A 104 7.977 -6.235 13.540 1.00 11.88 H new ATOM 1591 N LYS A 105 2.102 -4.944 10.132 1.00 11.41 N ATOM 1592 CA LYS A 105 1.251 -5.835 9.353 1.00 11.86 C ATOM 1593 C LYS A 105 0.866 -5.177 8.034 1.00 11.85 C ATOM 1594 O LYS A 105 0.709 -5.847 7.011 1.00 12.20 O ATOM 1595 CB LYS A 105 -0.006 -6.198 10.143 1.00 12.25 C ATOM 1596 CG LYS A 105 0.283 -6.948 11.432 1.00 12.76 C ATOM 1597 CD LYS A 105 -0.991 -7.224 12.213 1.00 13.39 C ATOM 1598 CE LYS A 105 -0.712 -8.047 13.461 1.00 14.09 C ATOM 1599 NZ LYS A 105 0.250 -7.372 14.370 1.00 14.37 N ATOM 0 H LYS A 105 1.695 -4.641 11.017 1.00 11.41 H new ATOM 0 HA LYS A 105 1.808 -6.748 9.143 1.00 11.86 H new ATOM 0 HB2 LYS A 105 -0.554 -5.285 10.378 1.00 12.25 H new ATOM 0 HB3 LYS A 105 -0.656 -6.807 9.516 1.00 12.25 H new ATOM 0 HG2 LYS A 105 0.782 -7.890 11.202 1.00 12.76 H new ATOM 0 HG3 LYS A 105 0.969 -6.366 12.047 1.00 12.76 H new ATOM 0 HD2 LYS A 105 -1.458 -6.280 12.495 1.00 13.39 H new ATOM 0 HD3 LYS A 105 -1.701 -7.754 11.578 1.00 13.39 H new ATOM 0 HE2 LYS A 105 -1.646 -8.228 13.992 1.00 14.09 H new ATOM 0 HE3 LYS A 105 -0.316 -9.020 13.172 1.00 14.09 H new ATOM 0 HZ1 LYS A 105 0.185 -7.793 15.319 1.00 14.37 H new ATOM 0 HZ2 LYS A 105 1.216 -7.491 14.004 1.00 14.37 H new ATOM 0 HZ3 LYS A 105 0.023 -6.358 14.425 1.00 14.37 H new ATOM 1613 N GLY A 106 0.723 -3.861 8.066 1.00 11.60 N ATOM 1614 CA GLY A 106 0.404 -3.120 6.869 1.00 11.77 C ATOM 1615 C GLY A 106 1.607 -2.954 5.964 1.00 11.76 C ATOM 1616 O GLY A 106 1.490 -3.055 4.748 1.00 12.03 O ATOM 0 H GLY A 106 0.823 -3.292 8.907 1.00 11.60 H new ATOM 0 HA2 GLY A 106 -0.389 -3.633 6.326 1.00 11.77 H new ATOM 0 HA3 GLY A 106 0.019 -2.138 7.143 1.00 11.77 H new ATOM 1620 N ASN A 107 2.769 -2.708 6.565 1.00 11.60 N ATOM 1621 CA ASN A 107 4.011 -2.535 5.810 1.00 11.78 C ATOM 1622 C ASN A 107 4.420 -3.837 5.139 1.00 12.07 C ATOM 1623 O ASN A 107 5.121 -3.831 4.126 1.00 12.33 O ATOM 1624 CB ASN A 107 5.142 -2.036 6.717 1.00 11.85 C ATOM 1625 CG ASN A 107 4.921 -0.617 7.205 1.00 11.96 C ATOM 1626 OD1 ASN A 107 4.284 0.195 6.531 1.00 11.97 O ATOM 1627 ND2 ASN A 107 5.455 -0.303 8.377 1.00 12.28 N ATOM 0 H ASN A 107 2.878 -2.624 7.576 1.00 11.60 H new ATOM 0 HA ASN A 107 3.828 -1.785 5.040 1.00 11.78 H new ATOM 0 HB2 ASN A 107 5.233 -2.701 7.576 1.00 11.85 H new ATOM 0 HB3 ASN A 107 6.086 -2.086 6.174 1.00 11.85 H new ATOM 0 HD21 ASN A 107 5.346 0.640 8.751 1.00 12.28 H new ATOM 0 HD22 ASN A 107 5.975 -1.004 8.905 1.00 12.28 H new ATOM 1634 N PHE A 108 3.987 -4.952 5.717 1.00 12.19 N ATOM 1635 CA PHE A 108 4.201 -6.261 5.116 1.00 12.69 C ATOM 1636 C PHE A 108 3.526 -6.323 3.748 1.00 12.92 C ATOM 1637 O PHE A 108 4.067 -6.883 2.797 1.00 13.36 O ATOM 1638 CB PHE A 108 3.644 -7.358 6.036 1.00 13.02 C ATOM 1639 CG PHE A 108 3.823 -8.756 5.506 1.00 13.41 C ATOM 1640 CD1 PHE A 108 5.029 -9.424 5.663 1.00 13.60 C ATOM 1641 CD2 PHE A 108 2.786 -9.400 4.851 1.00 13.76 C ATOM 1642 CE1 PHE A 108 5.194 -10.707 5.176 1.00 14.16 C ATOM 1643 CE2 PHE A 108 2.947 -10.682 4.362 1.00 14.30 C ATOM 1644 CZ PHE A 108 4.155 -11.337 4.527 1.00 14.51 C ATOM 0 H PHE A 108 3.484 -4.974 6.604 1.00 12.19 H new ATOM 0 HA PHE A 108 5.271 -6.423 4.986 1.00 12.69 H new ATOM 0 HB2 PHE A 108 4.132 -7.284 7.008 1.00 13.02 H new ATOM 0 HB3 PHE A 108 2.582 -7.176 6.198 1.00 13.02 H new ATOM 0 HD1 PHE A 108 5.848 -8.936 6.171 1.00 13.60 H new ATOM 0 HD2 PHE A 108 1.841 -8.894 4.721 1.00 13.76 H new ATOM 0 HE1 PHE A 108 6.138 -11.216 5.304 1.00 14.16 H new ATOM 0 HE2 PHE A 108 2.131 -11.172 3.852 1.00 14.30 H new ATOM 0 HZ PHE A 108 4.283 -12.340 4.148 1.00 14.51 H new ATOM 1654 N ARG A 109 2.338 -5.737 3.661 1.00 12.75 N ATOM 1655 CA ARG A 109 1.608 -5.681 2.404 1.00 13.13 C ATOM 1656 C ARG A 109 2.093 -4.499 1.564 1.00 13.11 C ATOM 1657 O ARG A 109 2.235 -4.609 0.346 1.00 13.55 O ATOM 1658 CB ARG A 109 0.104 -5.560 2.669 1.00 13.21 C ATOM 1659 CG ARG A 109 -0.754 -5.702 1.421 1.00 13.63 C ATOM 1660 CD ARG A 109 -0.629 -7.090 0.817 1.00 13.95 C ATOM 1661 NE ARG A 109 -1.047 -8.136 1.751 1.00 14.26 N ATOM 1662 CZ ARG A 109 -0.788 -9.432 1.584 1.00 14.71 C ATOM 1663 NH1 ARG A 109 -0.094 -9.847 0.529 1.00 14.89 N ATOM 1664 NH2 ARG A 109 -1.211 -10.311 2.481 1.00 15.12 N ATOM 0 H ARG A 109 1.861 -5.294 4.447 1.00 12.75 H new ATOM 0 HA ARG A 109 1.792 -6.602 1.852 1.00 13.13 H new ATOM 0 HB2 ARG A 109 -0.191 -6.323 3.390 1.00 13.21 H new ATOM 0 HB3 ARG A 109 -0.098 -4.592 3.129 1.00 13.21 H new ATOM 0 HG2 ARG A 109 -1.797 -5.505 1.670 1.00 13.63 H new ATOM 0 HG3 ARG A 109 -0.455 -4.955 0.685 1.00 13.63 H new ATOM 0 HD2 ARG A 109 -1.236 -7.148 -0.087 1.00 13.95 H new ATOM 0 HD3 ARG A 109 0.405 -7.263 0.518 1.00 13.95 H new ATOM 0 HE ARG A 109 -1.569 -7.855 2.581 1.00 14.26 H new ATOM 0 HH11 ARG A 109 0.243 -9.172 -0.157 1.00 14.89 H new ATOM 0 HH12 ARG A 109 0.102 -10.840 0.406 1.00 14.89 H new ATOM 0 HH21 ARG A 109 -1.734 -9.995 3.298 1.00 15.12 H new ATOM 0 HH22 ARG A 109 -1.014 -11.304 2.355 1.00 15.12 H new ATOM 1678 N ASN A 110 2.334 -3.377 2.247 1.00 12.73 N ATOM 1679 CA ASN A 110 2.845 -2.138 1.643 1.00 12.86 C ATOM 1680 C ASN A 110 1.787 -1.451 0.783 1.00 12.47 C ATOM 1681 O ASN A 110 1.408 -0.306 1.048 1.00 12.44 O ATOM 1682 CB ASN A 110 4.116 -2.396 0.823 1.00 13.08 C ATOM 1683 CG ASN A 110 4.695 -1.120 0.233 1.00 13.55 C ATOM 1684 OD1 ASN A 110 4.561 -0.037 0.803 1.00 13.74 O ATOM 1685 ND2 ASN A 110 5.348 -1.241 -0.909 1.00 13.93 N ATOM 0 H ASN A 110 2.178 -3.300 3.252 1.00 12.73 H new ATOM 0 HA ASN A 110 3.099 -1.467 2.464 1.00 12.86 H new ATOM 0 HB2 ASN A 110 4.864 -2.872 1.457 1.00 13.08 H new ATOM 0 HB3 ASN A 110 3.890 -3.095 0.018 1.00 13.08 H new ATOM 0 HD21 ASN A 110 5.763 -0.419 -1.349 1.00 13.93 H new ATOM 0 HD22 ASN A 110 5.438 -2.156 -1.351 1.00 13.93 H new ATOM 1692 N GLN A 111 1.308 -2.150 -0.235 1.00 12.38 N ATOM 1693 CA GLN A 111 0.303 -1.607 -1.133 1.00 12.20 C ATOM 1694 C GLN A 111 -1.039 -1.541 -0.412 1.00 11.61 C ATOM 1695 O GLN A 111 -1.544 -2.559 0.063 1.00 11.50 O ATOM 1696 CB GLN A 111 0.183 -2.481 -2.383 1.00 12.57 C ATOM 1697 CG GLN A 111 -0.192 -1.701 -3.629 1.00 13.05 C ATOM 1698 CD GLN A 111 0.937 -0.807 -4.110 1.00 13.63 C ATOM 1699 OE1 GLN A 111 2.116 -1.135 -3.961 1.00 13.90 O ATOM 1700 NE2 GLN A 111 0.588 0.337 -4.671 1.00 14.01 N ATOM 0 H GLN A 111 1.602 -3.100 -0.460 1.00 12.38 H new ATOM 0 HA GLN A 111 0.600 -0.603 -1.438 1.00 12.20 H new ATOM 0 HB2 GLN A 111 1.131 -2.990 -2.554 1.00 12.57 H new ATOM 0 HB3 GLN A 111 -0.566 -3.253 -2.207 1.00 12.57 H new ATOM 0 HG2 GLN A 111 -0.465 -2.397 -4.422 1.00 13.05 H new ATOM 0 HG3 GLN A 111 -1.072 -1.092 -3.423 1.00 13.05 H new ATOM 0 HE21 GLN A 111 -0.399 0.573 -4.777 1.00 14.01 H new ATOM 0 HE22 GLN A 111 1.305 0.984 -4.998 1.00 14.01 H new ATOM 1709 N ARG A 112 -1.609 -0.349 -0.317 1.00 11.45 N ATOM 1710 CA ARG A 112 -2.829 -0.161 0.458 1.00 11.12 C ATOM 1711 C ARG A 112 -3.945 0.472 -0.374 1.00 10.61 C ATOM 1712 O ARG A 112 -4.639 -0.206 -1.131 1.00 10.60 O ATOM 1713 CB ARG A 112 -2.553 0.713 1.687 1.00 11.41 C ATOM 1714 CG ARG A 112 -1.608 0.103 2.711 1.00 11.96 C ATOM 1715 CD ARG A 112 -1.214 1.137 3.753 1.00 12.50 C ATOM 1716 NE ARG A 112 -0.392 0.584 4.829 1.00 13.09 N ATOM 1717 CZ ARG A 112 0.930 0.738 4.912 1.00 13.79 C ATOM 1718 NH1 ARG A 112 1.605 1.286 3.910 1.00 14.01 N ATOM 1719 NH2 ARG A 112 1.577 0.330 5.996 1.00 14.43 N ATOM 0 H ARG A 112 -1.251 0.496 -0.762 1.00 11.45 H new ATOM 0 HA ARG A 112 -3.161 -1.150 0.775 1.00 11.12 H new ATOM 0 HB2 ARG A 112 -2.137 1.663 1.352 1.00 11.41 H new ATOM 0 HB3 ARG A 112 -3.501 0.935 2.177 1.00 11.41 H new ATOM 0 HG2 ARG A 112 -2.088 -0.747 3.197 1.00 11.96 H new ATOM 0 HG3 ARG A 112 -0.717 -0.277 2.211 1.00 11.96 H new ATOM 0 HD2 ARG A 112 -0.668 1.945 3.266 1.00 12.50 H new ATOM 0 HD3 ARG A 112 -2.116 1.574 4.181 1.00 12.50 H new ATOM 0 HE ARG A 112 -0.858 0.048 5.561 1.00 13.09 H new ATOM 0 HH11 ARG A 112 1.113 1.592 3.071 1.00 14.01 H new ATOM 0 HH12 ARG A 112 2.616 1.401 3.979 1.00 14.01 H new ATOM 0 HH21 ARG A 112 1.063 -0.101 6.765 1.00 14.43 H new ATOM 0 HH22 ARG A 112 2.588 0.447 6.061 1.00 14.43 H new ATOM 1733 N LYS A 113 -4.090 1.786 -0.242 1.00 10.40 N ATOM 1734 CA LYS A 113 -5.229 2.514 -0.794 1.00 10.14 C ATOM 1735 C LYS A 113 -5.033 2.880 -2.264 1.00 9.74 C ATOM 1736 O LYS A 113 -5.502 3.929 -2.711 1.00 9.59 O ATOM 1737 CB LYS A 113 -5.464 3.786 0.015 1.00 10.36 C ATOM 1738 CG LYS A 113 -5.570 3.555 1.514 1.00 10.98 C ATOM 1739 CD LYS A 113 -5.946 4.828 2.258 1.00 11.43 C ATOM 1740 CE LYS A 113 -4.950 5.956 2.014 1.00 11.95 C ATOM 1741 NZ LYS A 113 -3.582 5.607 2.482 1.00 12.41 N ATOM 0 H LYS A 113 -3.421 2.378 0.251 1.00 10.40 H new ATOM 0 HA LYS A 113 -6.095 1.854 -0.732 1.00 10.14 H new ATOM 0 HB2 LYS A 113 -4.648 4.483 -0.178 1.00 10.36 H new ATOM 0 HB3 LYS A 113 -6.380 4.263 -0.334 1.00 10.36 H new ATOM 0 HG2 LYS A 113 -6.316 2.785 1.711 1.00 10.98 H new ATOM 0 HG3 LYS A 113 -4.619 3.181 1.892 1.00 10.98 H new ATOM 0 HD2 LYS A 113 -6.939 5.149 1.945 1.00 11.43 H new ATOM 0 HD3 LYS A 113 -6.001 4.619 3.326 1.00 11.43 H new ATOM 0 HE2 LYS A 113 -4.920 6.188 0.949 1.00 11.95 H new ATOM 0 HE3 LYS A 113 -5.289 6.856 2.527 1.00 11.95 H new ATOM 0 HZ1 LYS A 113 -2.962 6.437 2.390 1.00 12.41 H new ATOM 0 HZ2 LYS A 113 -3.621 5.312 3.479 1.00 12.41 H new ATOM 0 HZ3 LYS A 113 -3.206 4.828 1.905 1.00 12.41 H new ATOM 1755 N THR A 114 -4.351 2.028 -3.012 1.00 9.83 N ATOM 1756 CA THR A 114 -4.030 2.333 -4.396 1.00 9.78 C ATOM 1757 C THR A 114 -5.294 2.403 -5.258 1.00 9.62 C ATOM 1758 O THR A 114 -5.661 3.473 -5.740 1.00 9.64 O ATOM 1759 CB THR A 114 -3.056 1.290 -4.971 1.00 10.31 C ATOM 1760 OG1 THR A 114 -1.985 1.086 -4.044 1.00 10.49 O ATOM 1761 CG2 THR A 114 -2.488 1.746 -6.310 1.00 10.80 C ATOM 0 H THR A 114 -4.010 1.124 -2.686 1.00 9.83 H new ATOM 0 HA THR A 114 -3.550 3.311 -4.414 1.00 9.78 H new ATOM 0 HB THR A 114 -3.600 0.359 -5.131 1.00 10.31 H new ATOM 0 HG1 THR A 114 -1.444 1.901 -3.984 1.00 10.49 H new ATOM 0 HG21 THR A 114 -1.803 0.989 -6.692 1.00 10.80 H new ATOM 0 HG22 THR A 114 -3.302 1.890 -7.020 1.00 10.80 H new ATOM 0 HG23 THR A 114 -1.952 2.686 -6.177 1.00 10.80 H new ATOM 1769 N VAL A 115 -5.969 1.273 -5.432 1.00 9.74 N ATOM 1770 CA VAL A 115 -7.190 1.231 -6.231 1.00 9.92 C ATOM 1771 C VAL A 115 -8.265 0.425 -5.504 1.00 9.30 C ATOM 1772 O VAL A 115 -9.203 -0.073 -6.106 1.00 9.52 O ATOM 1773 CB VAL A 115 -6.948 0.609 -7.632 1.00 10.85 C ATOM 1774 CG1 VAL A 115 -8.085 0.949 -8.582 1.00 11.22 C ATOM 1775 CG2 VAL A 115 -5.617 1.054 -8.222 1.00 11.44 C ATOM 0 H VAL A 115 -5.694 0.376 -5.032 1.00 9.74 H new ATOM 0 HA VAL A 115 -7.520 2.261 -6.369 1.00 9.92 H new ATOM 0 HB VAL A 115 -6.913 -0.473 -7.503 1.00 10.85 H new ATOM 0 HG11 VAL A 115 -7.891 0.501 -9.557 1.00 11.22 H new ATOM 0 HG12 VAL A 115 -9.021 0.559 -8.183 1.00 11.22 H new ATOM 0 HG13 VAL A 115 -8.159 2.031 -8.688 1.00 11.22 H new ATOM 0 HG21 VAL A 115 -5.483 0.598 -9.203 1.00 11.44 H new ATOM 0 HG22 VAL A 115 -5.608 2.139 -8.322 1.00 11.44 H new ATOM 0 HG23 VAL A 115 -4.805 0.744 -7.564 1.00 11.44 H new ATOM 1785 N LYS A 116 -8.130 0.303 -4.197 1.00 8.75 N ATOM 1786 CA LYS A 116 -8.990 -0.588 -3.430 1.00 8.35 C ATOM 1787 C LYS A 116 -10.128 0.163 -2.718 1.00 7.64 C ATOM 1788 O LYS A 116 -9.961 1.301 -2.369 1.00 7.40 O ATOM 1789 CB LYS A 116 -8.132 -1.368 -2.438 1.00 8.50 C ATOM 1790 CG LYS A 116 -7.275 -2.434 -3.103 1.00 9.04 C ATOM 1791 CD LYS A 116 -6.748 -3.439 -2.095 1.00 9.56 C ATOM 1792 CE LYS A 116 -6.044 -4.600 -2.777 1.00 10.24 C ATOM 1793 NZ LYS A 116 -5.707 -5.680 -1.815 1.00 10.72 N ATOM 0 H LYS A 116 -7.437 0.806 -3.643 1.00 8.75 H new ATOM 0 HA LYS A 116 -9.475 -1.280 -4.119 1.00 8.35 H new ATOM 0 HB2 LYS A 116 -7.486 -0.674 -1.900 1.00 8.50 H new ATOM 0 HB3 LYS A 116 -8.779 -1.839 -1.698 1.00 8.50 H new ATOM 0 HG2 LYS A 116 -7.862 -2.952 -3.861 1.00 9.04 H new ATOM 0 HG3 LYS A 116 -6.438 -1.960 -3.616 1.00 9.04 H new ATOM 0 HD2 LYS A 116 -6.056 -2.943 -1.414 1.00 9.56 H new ATOM 0 HD3 LYS A 116 -7.573 -3.817 -1.492 1.00 9.56 H new ATOM 0 HE2 LYS A 116 -6.682 -5.000 -3.565 1.00 10.24 H new ATOM 0 HE3 LYS A 116 -5.133 -4.242 -3.256 1.00 10.24 H new ATOM 0 HZ1 LYS A 116 -5.228 -6.455 -2.317 1.00 10.72 H new ATOM 0 HZ2 LYS A 116 -5.078 -5.304 -1.077 1.00 10.72 H new ATOM 0 HZ3 LYS A 116 -6.579 -6.039 -1.376 1.00 10.72 H new ATOM 1807 N CYS A 117 -11.269 -0.542 -2.558 1.00 7.61 N ATOM 1808 CA CYS A 117 -12.577 -0.104 -1.984 1.00 7.28 C ATOM 1809 C CYS A 117 -12.558 0.265 -0.515 1.00 6.81 C ATOM 1810 O CYS A 117 -11.719 -0.208 0.216 1.00 6.94 O ATOM 1811 CB CYS A 117 -13.534 -1.274 -1.975 1.00 7.77 C ATOM 1812 SG CYS A 117 -13.775 -2.151 -3.522 1.00 8.16 S ATOM 0 H CYS A 117 -11.311 -1.518 -2.850 1.00 7.61 H new ATOM 0 HA CYS A 117 -12.843 0.755 -2.601 1.00 7.28 H new ATOM 0 HB2 CYS A 117 -13.184 -1.991 -1.232 1.00 7.77 H new ATOM 0 HB3 CYS A 117 -14.505 -0.913 -1.637 1.00 7.77 H new ATOM 1817 N PHE A 118 -13.576 1.016 -0.066 1.00 6.60 N ATOM 1818 CA PHE A 118 -13.766 1.248 1.372 1.00 6.49 C ATOM 1819 C PHE A 118 -14.287 -0.032 2.024 1.00 6.66 C ATOM 1820 O PHE A 118 -15.419 -0.117 2.489 1.00 6.96 O ATOM 1821 CB PHE A 118 -14.688 2.456 1.661 1.00 6.75 C ATOM 1822 CG PHE A 118 -16.023 2.455 0.956 1.00 6.84 C ATOM 1823 CD1 PHE A 118 -17.174 2.053 1.619 1.00 7.09 C ATOM 1824 CD2 PHE A 118 -16.129 2.881 -0.359 1.00 7.05 C ATOM 1825 CE1 PHE A 118 -18.400 2.072 0.983 1.00 7.55 C ATOM 1826 CE2 PHE A 118 -17.354 2.900 -0.999 1.00 7.50 C ATOM 1827 CZ PHE A 118 -18.490 2.496 -0.328 1.00 7.76 C ATOM 0 H PHE A 118 -14.268 1.465 -0.666 1.00 6.60 H new ATOM 0 HA PHE A 118 -12.801 1.505 1.809 1.00 6.49 H new ATOM 0 HB2 PHE A 118 -14.867 2.502 2.735 1.00 6.75 H new ATOM 0 HB3 PHE A 118 -14.156 3.367 1.387 1.00 6.75 H new ATOM 0 HD1 PHE A 118 -17.110 1.721 2.645 1.00 7.09 H new ATOM 0 HD2 PHE A 118 -15.244 3.202 -0.889 1.00 7.05 H new ATOM 0 HE1 PHE A 118 -19.288 1.755 1.511 1.00 7.55 H new ATOM 0 HE2 PHE A 118 -17.422 3.231 -2.025 1.00 7.50 H new ATOM 0 HZ PHE A 118 -19.448 2.511 -0.827 1.00 7.76 H new ATOM 1837 N ASN A 119 -13.405 -1.014 2.052 1.00 6.83 N ATOM 1838 CA ASN A 119 -13.726 -2.388 2.396 1.00 7.37 C ATOM 1839 C ASN A 119 -12.484 -3.231 2.170 1.00 7.84 C ATOM 1840 O ASN A 119 -12.121 -4.065 3.000 1.00 8.35 O ATOM 1841 CB ASN A 119 -14.875 -2.913 1.523 1.00 7.76 C ATOM 1842 CG ASN A 119 -15.001 -4.428 1.544 1.00 8.38 C ATOM 1843 OD1 ASN A 119 -14.388 -5.119 0.735 1.00 8.64 O ATOM 1844 ND2 ASN A 119 -15.802 -4.948 2.459 1.00 8.90 N ATOM 0 H ASN A 119 -12.419 -0.875 1.830 1.00 6.83 H new ATOM 0 HA ASN A 119 -14.044 -2.441 3.437 1.00 7.37 H new ATOM 0 HB2 ASN A 119 -15.812 -2.472 1.864 1.00 7.76 H new ATOM 0 HB3 ASN A 119 -14.722 -2.582 0.496 1.00 7.76 H new ATOM 0 HD21 ASN A 119 -15.929 -5.959 2.511 1.00 8.90 H new ATOM 0 HD22 ASN A 119 -16.293 -4.338 3.113 1.00 8.90 H new ATOM 1851 N CYS A 120 -11.818 -2.976 1.044 1.00 7.96 N ATOM 1852 CA CYS A 120 -10.621 -3.713 0.682 1.00 8.71 C ATOM 1853 C CYS A 120 -9.386 -2.788 0.707 1.00 8.75 C ATOM 1854 O CYS A 120 -8.251 -3.263 0.667 1.00 9.54 O ATOM 1855 CB CYS A 120 -10.799 -4.393 -0.702 1.00 9.25 C ATOM 1856 SG CYS A 120 -10.538 -3.308 -2.134 1.00 9.45 S ATOM 0 H CYS A 120 -12.093 -2.262 0.370 1.00 7.96 H new ATOM 0 HA CYS A 120 -10.457 -4.500 1.418 1.00 8.71 H new ATOM 0 HB2 CYS A 120 -10.105 -5.231 -0.770 1.00 9.25 H new ATOM 0 HB3 CYS A 120 -11.805 -4.808 -0.759 1.00 9.25 H new ATOM 1861 N GLY A 121 -9.613 -1.466 0.805 1.00 8.15 N ATOM 1862 CA GLY A 121 -8.508 -0.512 0.798 1.00 8.48 C ATOM 1863 C GLY A 121 -8.907 0.960 1.011 1.00 8.66 C ATOM 1864 O GLY A 121 -8.337 1.619 1.880 1.00 9.05 O ATOM 0 H GLY A 121 -10.539 -1.046 0.888 1.00 8.15 H new ATOM 0 HA2 GLY A 121 -7.800 -0.796 1.577 1.00 8.48 H new ATOM 0 HA3 GLY A 121 -7.984 -0.595 -0.154 1.00 8.48 H new ATOM 1868 N LYS A 122 -9.877 1.484 0.240 1.00 8.64 N ATOM 1869 CA LYS A 122 -10.191 2.912 0.257 1.00 9.14 C ATOM 1870 C LYS A 122 -11.522 3.225 -0.439 1.00 9.38 C ATOM 1871 O LYS A 122 -12.458 3.699 0.196 1.00 9.60 O ATOM 1872 CB LYS A 122 -9.078 3.705 -0.405 1.00 10.04 C ATOM 1873 CG LYS A 122 -9.374 5.186 -0.427 1.00 10.62 C ATOM 1874 CD LYS A 122 -8.155 6.019 -0.794 1.00 11.49 C ATOM 1875 CE LYS A 122 -8.458 7.511 -0.774 1.00 12.13 C ATOM 1876 NZ LYS A 122 -9.376 7.922 -1.868 1.00 12.70 N ATOM 0 H LYS A 122 -10.452 0.936 -0.399 1.00 8.64 H new ATOM 0 HA LYS A 122 -10.284 3.203 1.303 1.00 9.14 H new ATOM 0 HB2 LYS A 122 -8.143 3.530 0.127 1.00 10.04 H new ATOM 0 HB3 LYS A 122 -8.936 3.348 -1.425 1.00 10.04 H new ATOM 0 HG2 LYS A 122 -10.173 5.383 -1.142 1.00 10.62 H new ATOM 0 HG3 LYS A 122 -9.739 5.495 0.552 1.00 10.62 H new ATOM 0 HD2 LYS A 122 -7.345 5.804 -0.097 1.00 11.49 H new ATOM 0 HD3 LYS A 122 -7.806 5.733 -1.786 1.00 11.49 H new ATOM 0 HE2 LYS A 122 -8.901 7.775 0.186 1.00 12.13 H new ATOM 0 HE3 LYS A 122 -7.525 8.069 -0.858 1.00 12.13 H new ATOM 0 HZ1 LYS A 122 -9.456 8.959 -1.883 1.00 12.70 H new ATOM 0 HZ2 LYS A 122 -9.000 7.591 -2.779 1.00 12.70 H new ATOM 0 HZ3 LYS A 122 -10.315 7.505 -1.708 1.00 12.70 H new ATOM 1890 N GLU A 123 -11.564 3.002 -1.751 1.00 9.61 N ATOM 1891 CA GLU A 123 -12.784 3.129 -2.550 1.00 10.15 C ATOM 1892 C GLU A 123 -12.613 2.750 -4.039 1.00 10.16 C ATOM 1893 O GLU A 123 -13.545 2.936 -4.822 1.00 9.77 O ATOM 1894 CB GLU A 123 -13.199 4.563 -2.537 1.00 10.72 C ATOM 1895 CG GLU A 123 -12.140 5.420 -3.185 1.00 11.36 C ATOM 1896 CD GLU A 123 -12.428 6.898 -3.082 1.00 12.15 C ATOM 1897 OE1 GLU A 123 -12.006 7.517 -2.088 1.00 12.53 O ATOM 1898 OE2 GLU A 123 -13.079 7.444 -3.993 1.00 12.54 O ATOM 0 H GLU A 123 -10.747 2.726 -2.295 1.00 9.61 H new ATOM 0 HA GLU A 123 -13.508 2.446 -2.106 1.00 10.15 H new ATOM 0 HB2 GLU A 123 -14.145 4.680 -3.066 1.00 10.72 H new ATOM 0 HB3 GLU A 123 -13.365 4.891 -1.511 1.00 10.72 H new ATOM 0 HG2 GLU A 123 -11.177 5.211 -2.720 1.00 11.36 H new ATOM 0 HG3 GLU A 123 -12.052 5.146 -4.236 1.00 11.36 H new ATOM 1905 N GLY A 124 -11.451 2.238 -4.431 1.00 10.81 N ATOM 1906 CA GLY A 124 -11.120 2.105 -5.845 1.00 11.18 C ATOM 1907 C GLY A 124 -12.072 1.228 -6.644 1.00 11.06 C ATOM 1908 O GLY A 124 -12.248 1.436 -7.843 1.00 11.83 O ATOM 0 H GLY A 124 -10.726 1.910 -3.793 1.00 10.81 H new ATOM 0 HA2 GLY A 124 -11.100 3.098 -6.294 1.00 11.18 H new ATOM 0 HA3 GLY A 124 -10.113 1.696 -5.931 1.00 11.18 H new ATOM 1912 N HIS A 125 -12.690 0.254 -5.999 1.00 10.27 N ATOM 1913 CA HIS A 125 -13.640 -0.618 -6.689 1.00 10.32 C ATOM 1914 C HIS A 125 -15.023 -0.328 -6.126 1.00 9.72 C ATOM 1915 O HIS A 125 -15.318 0.806 -5.747 1.00 9.32 O ATOM 1916 CB HIS A 125 -13.314 -2.124 -6.506 1.00 10.21 C ATOM 1917 CG HIS A 125 -11.854 -2.492 -6.518 1.00 10.68 C ATOM 1918 ND1 HIS A 125 -11.324 -3.392 -5.616 1.00 10.37 N ATOM 1919 CD2 HIS A 125 -10.857 -2.070 -7.336 1.00 11.65 C ATOM 1920 CE1 HIS A 125 -10.039 -3.488 -5.882 1.00 11.18 C ATOM 1921 NE2 HIS A 125 -9.705 -2.706 -6.924 1.00 11.94 N ATOM 0 H HIS A 125 -12.557 0.044 -5.010 1.00 10.27 H new ATOM 0 HA HIS A 125 -13.585 -0.413 -7.758 1.00 10.32 H new ATOM 0 HB2 HIS A 125 -13.744 -2.456 -5.561 1.00 10.21 H new ATOM 0 HB3 HIS A 125 -13.815 -2.682 -7.297 1.00 10.21 H new ATOM 0 HD2 HIS A 125 -10.948 -1.370 -8.153 1.00 11.65 H new ATOM 0 HE1 HIS A 125 -9.346 -4.111 -5.337 1.00 11.18 H new ATOM 0 HE2 HIS A 125 -8.776 -2.603 -7.332 1.00 11.94 H new ATOM 1929 N ILE A 126 -15.869 -1.337 -6.063 1.00 9.89 N ATOM 1930 CA ILE A 126 -17.130 -1.212 -5.360 1.00 9.58 C ATOM 1931 C ILE A 126 -17.096 -2.085 -4.114 1.00 9.30 C ATOM 1932 O ILE A 126 -16.913 -3.302 -4.191 1.00 9.89 O ATOM 1933 CB ILE A 126 -18.366 -1.557 -6.229 1.00 10.51 C ATOM 1934 CG1 ILE A 126 -18.227 -2.921 -6.925 1.00 11.44 C ATOM 1935 CG2 ILE A 126 -18.612 -0.454 -7.245 1.00 10.87 C ATOM 1936 CD1 ILE A 126 -17.347 -2.924 -8.161 1.00 12.22 C ATOM 0 H ILE A 126 -15.707 -2.250 -6.489 1.00 9.89 H new ATOM 0 HA ILE A 126 -17.243 -0.162 -5.090 1.00 9.58 H new ATOM 0 HB ILE A 126 -19.227 -1.630 -5.564 1.00 10.51 H new ATOM 0 HG12 ILE A 126 -17.825 -3.638 -6.209 1.00 11.44 H new ATOM 0 HG13 ILE A 126 -19.220 -3.273 -7.204 1.00 11.44 H new ATOM 0 HG21 ILE A 126 -19.482 -0.705 -7.851 1.00 10.87 H new ATOM 0 HG22 ILE A 126 -18.791 0.487 -6.724 1.00 10.87 H new ATOM 0 HG23 ILE A 126 -17.739 -0.351 -7.889 1.00 10.87 H new ATOM 0 HD11 ILE A 126 -17.312 -3.930 -8.580 1.00 12.22 H new ATOM 0 HD12 ILE A 126 -17.757 -2.237 -8.901 1.00 12.22 H new ATOM 0 HD13 ILE A 126 -16.339 -2.608 -7.891 1.00 12.22 H new ATOM 1948 N ALA A 127 -17.252 -1.443 -2.963 1.00 8.62 N ATOM 1949 CA ALA A 127 -17.105 -2.101 -1.672 1.00 8.50 C ATOM 1950 C ALA A 127 -18.099 -3.238 -1.494 1.00 9.47 C ATOM 1951 O ALA A 127 -17.896 -4.127 -0.670 1.00 9.79 O ATOM 1952 CB ALA A 127 -17.263 -1.086 -0.552 1.00 7.91 C ATOM 0 H ALA A 127 -17.484 -0.452 -2.899 1.00 8.62 H new ATOM 0 HA ALA A 127 -16.105 -2.534 -1.634 1.00 8.50 H new ATOM 0 HB1 ALA A 127 -17.152 -1.586 0.410 1.00 7.91 H new ATOM 0 HB2 ALA A 127 -16.500 -0.314 -0.650 1.00 7.91 H new ATOM 0 HB3 ALA A 127 -18.251 -0.629 -0.612 1.00 7.91 H new ATOM 1958 N LYS A 128 -19.166 -3.215 -2.278 1.00 10.12 N ATOM 1959 CA LYS A 128 -20.198 -4.241 -2.179 1.00 11.20 C ATOM 1960 C LYS A 128 -19.805 -5.510 -2.937 1.00 11.91 C ATOM 1961 O LYS A 128 -20.425 -6.559 -2.763 1.00 12.77 O ATOM 1962 CB LYS A 128 -21.540 -3.722 -2.705 1.00 11.83 C ATOM 1963 CG LYS A 128 -21.581 -3.496 -4.209 1.00 11.76 C ATOM 1964 CD LYS A 128 -22.996 -3.193 -4.679 1.00 12.45 C ATOM 1965 CE LYS A 128 -23.077 -3.056 -6.192 1.00 12.66 C ATOM 1966 NZ LYS A 128 -22.294 -1.898 -6.694 1.00 13.15 N ATOM 0 H LYS A 128 -19.341 -2.503 -2.987 1.00 10.12 H new ATOM 0 HA LYS A 128 -20.301 -4.489 -1.123 1.00 11.20 H new ATOM 0 HB2 LYS A 128 -22.321 -4.433 -2.435 1.00 11.83 H new ATOM 0 HB3 LYS A 128 -21.775 -2.784 -2.202 1.00 11.83 H new ATOM 0 HG2 LYS A 128 -20.922 -2.669 -4.474 1.00 11.76 H new ATOM 0 HG3 LYS A 128 -21.205 -4.381 -4.723 1.00 11.76 H new ATOM 0 HD2 LYS A 128 -23.665 -3.988 -4.351 1.00 12.45 H new ATOM 0 HD3 LYS A 128 -23.343 -2.271 -4.212 1.00 12.45 H new ATOM 0 HE2 LYS A 128 -22.709 -3.970 -6.658 1.00 12.66 H new ATOM 0 HE3 LYS A 128 -24.120 -2.944 -6.489 1.00 12.66 H new ATOM 0 HZ1 LYS A 128 -22.473 -1.773 -7.711 1.00 13.15 H new ATOM 0 HZ2 LYS A 128 -22.580 -1.038 -6.184 1.00 13.15 H new ATOM 0 HZ3 LYS A 128 -21.280 -2.071 -6.540 1.00 13.15 H new ATOM 1980 N ASN A 129 -18.782 -5.422 -3.776 1.00 11.70 N ATOM 1981 CA ASN A 129 -18.389 -6.558 -4.605 1.00 12.56 C ATOM 1982 C ASN A 129 -17.156 -7.251 -4.039 1.00 12.29 C ATOM 1983 O ASN A 129 -16.919 -8.431 -4.304 1.00 13.04 O ATOM 1984 CB ASN A 129 -18.127 -6.100 -6.039 1.00 13.04 C ATOM 1985 CG ASN A 129 -17.894 -7.252 -6.999 1.00 13.96 C ATOM 1986 OD1 ASN A 129 -18.842 -7.837 -7.524 1.00 14.48 O ATOM 1987 ND2 ASN A 129 -16.636 -7.568 -7.257 1.00 14.33 N ATOM 0 H ASN A 129 -18.213 -4.585 -3.902 1.00 11.70 H new ATOM 0 HA ASN A 129 -19.209 -7.276 -4.606 1.00 12.56 H new ATOM 0 HB2 ASN A 129 -18.976 -5.511 -6.387 1.00 13.04 H new ATOM 0 HB3 ASN A 129 -17.257 -5.443 -6.051 1.00 13.04 H new ATOM 0 HD21 ASN A 129 -16.423 -8.321 -7.912 1.00 14.33 H new ATOM 0 HD22 ASN A 129 -15.879 -7.059 -6.801 1.00 14.33 H new ATOM 1994 N CYS A 130 -16.378 -6.525 -3.252 1.00 11.34 N ATOM 1995 CA CYS A 130 -15.193 -7.098 -2.639 1.00 11.22 C ATOM 1996 C CYS A 130 -15.546 -7.858 -1.369 1.00 11.41 C ATOM 1997 O CYS A 130 -16.191 -7.326 -0.467 1.00 10.94 O ATOM 1998 CB CYS A 130 -14.145 -6.022 -2.359 1.00 10.26 C ATOM 1999 SG CYS A 130 -12.959 -5.836 -3.706 1.00 10.18 S ATOM 0 H CYS A 130 -16.545 -5.545 -3.024 1.00 11.34 H new ATOM 0 HA CYS A 130 -14.764 -7.809 -3.345 1.00 11.22 H new ATOM 0 HB2 CYS A 130 -14.646 -5.069 -2.187 1.00 10.26 H new ATOM 0 HB3 CYS A 130 -13.611 -6.271 -1.442 1.00 10.26 H new ATOM 2004 N ARG A 131 -15.144 -9.118 -1.326 1.00 12.28 N ATOM 2005 CA ARG A 131 -15.354 -9.942 -0.152 1.00 12.72 C ATOM 2006 C ARG A 131 -14.116 -9.905 0.732 1.00 12.49 C ATOM 2007 O ARG A 131 -13.117 -10.580 0.476 1.00 12.99 O ATOM 2008 CB ARG A 131 -15.707 -11.381 -0.545 1.00 13.93 C ATOM 2009 CG ARG A 131 -14.734 -12.019 -1.523 1.00 14.54 C ATOM 2010 CD ARG A 131 -15.087 -13.471 -1.785 1.00 15.39 C ATOM 2011 NE ARG A 131 -15.010 -14.282 -0.570 1.00 15.94 N ATOM 2012 CZ ARG A 131 -15.638 -15.444 -0.409 1.00 16.74 C ATOM 2013 NH1 ARG A 131 -16.392 -15.943 -1.382 1.00 17.08 N ATOM 2014 NH2 ARG A 131 -15.509 -16.107 0.733 1.00 17.31 N ATOM 0 H ARG A 131 -14.669 -9.591 -2.095 1.00 12.28 H new ATOM 0 HA ARG A 131 -16.197 -9.541 0.410 1.00 12.72 H new ATOM 0 HB2 ARG A 131 -15.750 -11.991 0.357 1.00 13.93 H new ATOM 0 HB3 ARG A 131 -16.704 -11.391 -0.984 1.00 13.93 H new ATOM 0 HG2 ARG A 131 -14.743 -11.465 -2.462 1.00 14.54 H new ATOM 0 HG3 ARG A 131 -13.721 -11.955 -1.125 1.00 14.54 H new ATOM 0 HD2 ARG A 131 -16.094 -13.530 -2.197 1.00 15.39 H new ATOM 0 HD3 ARG A 131 -14.411 -13.879 -2.536 1.00 15.39 H new ATOM 0 HE ARG A 131 -14.440 -13.935 0.201 1.00 15.94 H new ATOM 0 HH11 ARG A 131 -16.493 -15.435 -2.261 1.00 17.08 H new ATOM 0 HH12 ARG A 131 -16.870 -16.834 -1.251 1.00 17.08 H new ATOM 0 HH21 ARG A 131 -14.931 -15.725 1.482 1.00 17.31 H new ATOM 0 HH22 ARG A 131 -15.988 -16.998 0.862 1.00 17.31 H new ATOM 2028 N ALA A 132 -14.189 -9.097 1.768 1.00 11.89 N ATOM 2029 CA ALA A 132 -13.074 -8.895 2.671 1.00 11.80 C ATOM 2030 C ALA A 132 -13.565 -8.990 4.105 1.00 11.49 C ATOM 2031 O ALA A 132 -14.771 -8.940 4.348 1.00 10.98 O ATOM 2032 CB ALA A 132 -12.437 -7.537 2.402 1.00 11.27 C ATOM 0 H ALA A 132 -15.023 -8.561 2.009 1.00 11.89 H new ATOM 0 HA ALA A 132 -12.320 -9.665 2.510 1.00 11.80 H new ATOM 0 HB1 ALA A 132 -11.599 -7.387 3.082 1.00 11.27 H new ATOM 0 HB2 ALA A 132 -12.080 -7.500 1.373 1.00 11.27 H new ATOM 0 HB3 ALA A 132 -13.176 -6.751 2.558 1.00 11.27 H new ATOM 2038 N PRO A 133 -12.655 -9.143 5.085 1.00 11.98 N ATOM 2039 CA PRO A 133 -13.029 -9.181 6.500 1.00 11.96 C ATOM 2040 C PRO A 133 -13.551 -7.835 6.993 1.00 11.21 C ATOM 2041 O PRO A 133 -13.886 -7.676 8.168 1.00 11.39 O ATOM 2042 CB PRO A 133 -11.730 -9.553 7.225 1.00 12.84 C ATOM 2043 CG PRO A 133 -10.803 -10.033 6.159 1.00 13.32 C ATOM 2044 CD PRO A 133 -11.206 -9.316 4.905 1.00 12.82 C ATOM 0 HA PRO A 133 -13.838 -9.889 6.681 1.00 11.96 H new ATOM 0 HB2 PRO A 133 -11.313 -8.693 7.750 1.00 12.84 H new ATOM 0 HB3 PRO A 133 -11.905 -10.328 7.971 1.00 12.84 H new ATOM 0 HG2 PRO A 133 -9.766 -9.815 6.417 1.00 13.32 H new ATOM 0 HG3 PRO A 133 -10.880 -11.113 6.033 1.00 13.32 H new ATOM 0 HD2 PRO A 133 -10.693 -8.360 4.803 1.00 12.82 H new ATOM 0 HD3 PRO A 133 -10.975 -9.899 4.013 1.00 12.82 H new ATOM 2052 N ARG A 134 -13.596 -6.880 6.063 1.00 10.58 N ATOM 2053 CA ARG A 134 -14.131 -5.541 6.293 1.00 10.01 C ATOM 2054 C ARG A 134 -13.284 -4.743 7.271 1.00 9.69 C ATOM 2055 O ARG A 134 -13.119 -5.120 8.430 1.00 10.21 O ATOM 2056 CB ARG A 134 -15.579 -5.594 6.796 1.00 10.03 C ATOM 2057 CG ARG A 134 -16.581 -6.108 5.773 1.00 10.19 C ATOM 2058 CD ARG A 134 -18.001 -6.091 6.327 1.00 10.81 C ATOM 2059 NE ARG A 134 -18.490 -4.729 6.569 1.00 11.15 N ATOM 2060 CZ ARG A 134 -18.452 -4.113 7.754 1.00 11.83 C ATOM 2061 NH1 ARG A 134 -17.971 -4.734 8.826 1.00 12.25 N ATOM 2062 NH2 ARG A 134 -18.916 -2.876 7.868 1.00 12.30 N ATOM 0 H ARG A 134 -13.255 -7.020 5.112 1.00 10.58 H new ATOM 0 HA ARG A 134 -14.107 -5.035 5.328 1.00 10.01 H new ATOM 0 HB2 ARG A 134 -15.621 -6.231 7.679 1.00 10.03 H new ATOM 0 HB3 ARG A 134 -15.879 -4.594 7.110 1.00 10.03 H new ATOM 0 HG2 ARG A 134 -16.532 -5.494 4.874 1.00 10.19 H new ATOM 0 HG3 ARG A 134 -16.315 -7.124 5.480 1.00 10.19 H new ATOM 0 HD2 ARG A 134 -18.667 -6.594 5.627 1.00 10.81 H new ATOM 0 HD3 ARG A 134 -18.032 -6.656 7.259 1.00 10.81 H new ATOM 0 HE ARG A 134 -18.885 -4.218 5.780 1.00 11.15 H new ATOM 0 HH11 ARG A 134 -17.626 -5.691 8.749 1.00 12.25 H new ATOM 0 HH12 ARG A 134 -17.947 -4.254 9.726 1.00 12.25 H new ATOM 0 HH21 ARG A 134 -19.300 -2.398 7.053 1.00 12.30 H new ATOM 0 HH22 ARG A 134 -18.889 -2.402 8.771 1.00 12.30 H new ATOM 2076 N LYS A 135 -12.745 -3.633 6.795 1.00 9.06 N ATOM 2077 CA LYS A 135 -12.111 -2.664 7.672 1.00 9.00 C ATOM 2078 C LYS A 135 -13.192 -1.982 8.493 1.00 9.08 C ATOM 2079 O LYS A 135 -14.378 -2.284 8.331 1.00 9.30 O ATOM 2080 CB LYS A 135 -11.342 -1.620 6.853 1.00 8.75 C ATOM 2081 CG LYS A 135 -10.295 -2.213 5.924 1.00 8.95 C ATOM 2082 CD LYS A 135 -9.165 -2.873 6.696 1.00 9.28 C ATOM 2083 CE LYS A 135 -8.171 -3.534 5.755 1.00 9.72 C ATOM 2084 NZ LYS A 135 -7.030 -4.145 6.486 1.00 10.11 N ATOM 0 H LYS A 135 -12.734 -3.381 5.807 1.00 9.06 H new ATOM 0 HA LYS A 135 -11.402 -3.171 8.327 1.00 9.00 H new ATOM 0 HB2 LYS A 135 -12.052 -1.042 6.262 1.00 8.75 H new ATOM 0 HB3 LYS A 135 -10.855 -0.924 7.536 1.00 8.75 H new ATOM 0 HG2 LYS A 135 -10.764 -2.947 5.268 1.00 8.95 H new ATOM 0 HG3 LYS A 135 -9.889 -1.428 5.285 1.00 8.95 H new ATOM 0 HD2 LYS A 135 -8.653 -2.128 7.305 1.00 9.28 H new ATOM 0 HD3 LYS A 135 -9.574 -3.617 7.379 1.00 9.28 H new ATOM 0 HE2 LYS A 135 -8.680 -4.301 5.172 1.00 9.72 H new ATOM 0 HE3 LYS A 135 -7.794 -2.794 5.049 1.00 9.72 H new ATOM 0 HZ1 LYS A 135 -6.377 -4.584 5.806 1.00 10.11 H new ATOM 0 HZ2 LYS A 135 -6.528 -3.409 7.023 1.00 10.11 H new ATOM 0 HZ3 LYS A 135 -7.386 -4.870 7.142 1.00 10.11 H new ATOM 2098 N LYS A 136 -12.808 -1.074 9.370 1.00 9.17 N ATOM 2099 CA LYS A 136 -13.802 -0.304 10.097 1.00 9.54 C ATOM 2100 C LYS A 136 -14.590 0.544 9.106 1.00 9.54 C ATOM 2101 O LYS A 136 -15.697 0.169 8.703 1.00 9.99 O ATOM 2102 CB LYS A 136 -13.167 0.567 11.189 1.00 10.03 C ATOM 2103 CG LYS A 136 -12.904 -0.179 12.494 1.00 10.42 C ATOM 2104 CD LYS A 136 -11.747 -1.162 12.381 1.00 10.60 C ATOM 2105 CE LYS A 136 -10.409 -0.440 12.355 1.00 11.32 C ATOM 2106 NZ LYS A 136 -9.261 -1.384 12.336 1.00 11.69 N ATOM 0 H LYS A 136 -11.838 -0.854 9.594 1.00 9.17 H new ATOM 0 HA LYS A 136 -14.476 -0.993 10.606 1.00 9.54 H new ATOM 0 HB2 LYS A 136 -12.226 0.972 10.817 1.00 10.03 H new ATOM 0 HB3 LYS A 136 -13.821 1.415 11.391 1.00 10.03 H new ATOM 0 HG2 LYS A 136 -12.689 0.541 13.283 1.00 10.42 H new ATOM 0 HG3 LYS A 136 -13.805 -0.716 12.790 1.00 10.42 H new ATOM 0 HD2 LYS A 136 -11.772 -1.855 13.222 1.00 10.60 H new ATOM 0 HD3 LYS A 136 -11.859 -1.757 11.474 1.00 10.60 H new ATOM 0 HE2 LYS A 136 -10.362 0.203 11.476 1.00 11.32 H new ATOM 0 HE3 LYS A 136 -10.330 0.207 13.229 1.00 11.32 H new ATOM 0 HZ1 LYS A 136 -8.370 -0.847 12.319 1.00 11.69 H new ATOM 0 HZ2 LYS A 136 -9.289 -1.981 13.187 1.00 11.69 H new ATOM 0 HZ3 LYS A 136 -9.320 -1.985 11.489 1.00 11.69 H new ATOM 2120 N GLY A 137 -14.005 1.660 8.700 1.00 9.28 N ATOM 2121 CA GLY A 137 -14.571 2.465 7.635 1.00 9.53 C ATOM 2122 C GLY A 137 -15.928 3.065 7.960 1.00 9.53 C ATOM 2123 O GLY A 137 -16.607 2.658 8.905 1.00 9.44 O ATOM 0 H GLY A 137 -13.138 2.027 9.093 1.00 9.28 H new ATOM 0 HA2 GLY A 137 -13.878 3.272 7.397 1.00 9.53 H new ATOM 0 HA3 GLY A 137 -14.664 1.850 6.740 1.00 9.53 H new ATOM 2127 N CYS A 138 -16.317 4.044 7.171 1.00 9.89 N ATOM 2128 CA CYS A 138 -17.635 4.624 7.262 1.00 10.22 C ATOM 2129 C CYS A 138 -18.315 4.477 5.911 1.00 9.92 C ATOM 2130 O CYS A 138 -18.036 5.234 4.986 1.00 9.94 O ATOM 2131 CB CYS A 138 -17.527 6.101 7.651 1.00 11.12 C ATOM 2132 SG CYS A 138 -19.086 6.869 8.150 1.00 12.01 S ATOM 0 H CYS A 138 -15.727 4.458 6.450 1.00 9.89 H new ATOM 0 HA CYS A 138 -18.222 4.114 8.026 1.00 10.22 H new ATOM 0 HB2 CYS A 138 -16.813 6.196 8.469 1.00 11.12 H new ATOM 0 HB3 CYS A 138 -17.119 6.656 6.806 1.00 11.12 H new ATOM 2137 N TRP A 139 -19.230 3.524 5.809 1.00 9.89 N ATOM 2138 CA TRP A 139 -19.854 3.188 4.529 1.00 9.90 C ATOM 2139 C TRP A 139 -20.950 4.188 4.171 1.00 10.86 C ATOM 2140 O TRP A 139 -21.747 3.964 3.258 1.00 11.32 O ATOM 2141 CB TRP A 139 -20.426 1.767 4.583 1.00 9.65 C ATOM 2142 CG TRP A 139 -19.386 0.691 4.733 1.00 9.03 C ATOM 2143 CD1 TRP A 139 -18.421 0.598 5.697 1.00 8.51 C ATOM 2144 CD2 TRP A 139 -19.224 -0.459 3.894 1.00 9.20 C ATOM 2145 NE1 TRP A 139 -17.667 -0.532 5.504 1.00 8.35 N ATOM 2146 CE2 TRP A 139 -18.140 -1.199 4.406 1.00 8.78 C ATOM 2147 CE3 TRP A 139 -19.889 -0.936 2.760 1.00 9.91 C ATOM 2148 CZ2 TRP A 139 -17.708 -2.386 3.820 1.00 9.11 C ATOM 2149 CZ3 TRP A 139 -19.460 -2.115 2.181 1.00 10.19 C ATOM 2150 CH2 TRP A 139 -18.379 -2.829 2.713 1.00 9.81 C ATOM 0 H TRP A 139 -19.560 2.966 6.597 1.00 9.89 H new ATOM 0 HA TRP A 139 -19.090 3.237 3.753 1.00 9.90 H new ATOM 0 HB2 TRP A 139 -21.125 1.700 5.416 1.00 9.65 H new ATOM 0 HB3 TRP A 139 -20.996 1.582 3.673 1.00 9.65 H new ATOM 0 HD1 TRP A 139 -18.274 1.311 6.495 1.00 8.51 H new ATOM 0 HE1 TRP A 139 -16.882 -0.827 6.084 1.00 8.35 H new ATOM 0 HE3 TRP A 139 -20.724 -0.392 2.344 1.00 9.91 H new ATOM 0 HZ2 TRP A 139 -16.873 -2.938 4.225 1.00 9.11 H new ATOM 0 HZ3 TRP A 139 -19.966 -2.492 1.305 1.00 10.19 H new ATOM 0 HH2 TRP A 139 -18.069 -3.749 2.239 1.00 9.81 H new ATOM 2161 N LYS A 140 -20.980 5.294 4.897 1.00 11.35 N ATOM 2162 CA LYS A 140 -21.967 6.332 4.678 1.00 12.41 C ATOM 2163 C LYS A 140 -21.366 7.488 3.892 1.00 12.91 C ATOM 2164 O LYS A 140 -21.977 8.005 2.959 1.00 13.52 O ATOM 2165 CB LYS A 140 -22.486 6.831 6.022 1.00 13.04 C ATOM 2166 CG LYS A 140 -23.706 7.737 5.919 1.00 14.05 C ATOM 2167 CD LYS A 140 -24.843 7.075 5.157 1.00 14.34 C ATOM 2168 CE LYS A 140 -26.062 7.979 5.085 1.00 15.50 C ATOM 2169 NZ LYS A 140 -27.077 7.464 4.129 1.00 16.11 N ATOM 0 H LYS A 140 -20.323 5.494 5.651 1.00 11.35 H new ATOM 0 HA LYS A 140 -22.792 5.916 4.099 1.00 12.41 H new ATOM 0 HB2 LYS A 140 -22.736 5.972 6.645 1.00 13.04 H new ATOM 0 HB3 LYS A 140 -21.687 7.371 6.530 1.00 13.04 H new ATOM 0 HG2 LYS A 140 -24.046 8.002 6.920 1.00 14.05 H new ATOM 0 HG3 LYS A 140 -23.427 8.665 5.420 1.00 14.05 H new ATOM 0 HD2 LYS A 140 -24.512 6.827 4.149 1.00 14.34 H new ATOM 0 HD3 LYS A 140 -25.112 6.137 5.643 1.00 14.34 H new ATOM 0 HE2 LYS A 140 -26.508 8.067 6.076 1.00 15.50 H new ATOM 0 HE3 LYS A 140 -25.754 8.980 4.784 1.00 15.50 H new ATOM 0 HZ1 LYS A 140 -27.893 8.108 4.109 1.00 16.11 H new ATOM 0 HZ2 LYS A 140 -26.659 7.404 3.178 1.00 16.11 H new ATOM 0 HZ3 LYS A 140 -27.390 6.519 4.430 1.00 16.11 H new ATOM 2183 N CYS A 141 -20.163 7.887 4.278 1.00 12.82 N ATOM 2184 CA CYS A 141 -19.499 9.005 3.627 1.00 13.44 C ATOM 2185 C CYS A 141 -18.233 8.535 2.914 1.00 13.01 C ATOM 2186 O CYS A 141 -17.714 9.220 2.033 1.00 13.56 O ATOM 2187 CB CYS A 141 -19.153 10.078 4.656 1.00 13.82 C ATOM 2188 SG CYS A 141 -17.925 9.549 5.867 1.00 13.97 S ATOM 0 H CYS A 141 -19.630 7.456 5.034 1.00 12.82 H new ATOM 0 HA CYS A 141 -20.177 9.428 2.886 1.00 13.44 H new ATOM 0 HB2 CYS A 141 -18.781 10.961 4.136 1.00 13.82 H new ATOM 0 HB3 CYS A 141 -20.062 10.375 5.179 1.00 13.82 H new ATOM 2193 N GLY A 142 -17.749 7.356 3.291 1.00 12.16 N ATOM 2194 CA GLY A 142 -16.559 6.807 2.660 1.00 11.86 C ATOM 2195 C GLY A 142 -15.280 7.052 3.450 1.00 11.95 C ATOM 2196 O GLY A 142 -14.186 6.796 2.948 1.00 12.26 O ATOM 0 H GLY A 142 -18.157 6.771 4.020 1.00 12.16 H new ATOM 0 HA2 GLY A 142 -16.692 5.734 2.525 1.00 11.86 H new ATOM 0 HA3 GLY A 142 -16.451 7.242 1.667 1.00 11.86 H new ATOM 2200 N LYS A 143 -15.402 7.551 4.674 1.00 11.90 N ATOM 2201 CA LYS A 143 -14.232 7.786 5.523 1.00 12.23 C ATOM 2202 C LYS A 143 -13.748 6.488 6.166 1.00 11.90 C ATOM 2203 O LYS A 143 -14.338 5.427 5.964 1.00 11.44 O ATOM 2204 CB LYS A 143 -14.544 8.819 6.607 1.00 13.11 C ATOM 2205 CG LYS A 143 -14.663 10.241 6.078 1.00 13.82 C ATOM 2206 CD LYS A 143 -13.322 10.803 5.628 1.00 14.46 C ATOM 2207 CE LYS A 143 -12.374 11.002 6.802 1.00 15.30 C ATOM 2208 NZ LYS A 143 -11.110 11.665 6.390 1.00 15.88 N ATOM 0 H LYS A 143 -16.293 7.801 5.103 1.00 11.90 H new ATOM 0 HA LYS A 143 -13.437 8.174 4.886 1.00 12.23 H new ATOM 0 HB2 LYS A 143 -15.476 8.545 7.101 1.00 13.11 H new ATOM 0 HB3 LYS A 143 -13.761 8.786 7.364 1.00 13.11 H new ATOM 0 HG2 LYS A 143 -15.361 10.258 5.241 1.00 13.82 H new ATOM 0 HG3 LYS A 143 -15.081 10.882 6.855 1.00 13.82 H new ATOM 0 HD2 LYS A 143 -12.868 10.126 4.904 1.00 14.46 H new ATOM 0 HD3 LYS A 143 -13.478 11.755 5.120 1.00 14.46 H new ATOM 0 HE2 LYS A 143 -12.866 11.603 7.567 1.00 15.30 H new ATOM 0 HE3 LYS A 143 -12.147 10.036 7.252 1.00 15.30 H new ATOM 0 HZ1 LYS A 143 -10.493 11.782 7.219 1.00 15.88 H new ATOM 0 HZ2 LYS A 143 -10.627 11.080 5.678 1.00 15.88 H new ATOM 0 HZ3 LYS A 143 -11.324 12.598 5.984 1.00 15.88 H new ATOM 2222 N GLU A 144 -12.676 6.589 6.944 1.00 12.31 N ATOM 2223 CA GLU A 144 -12.044 5.417 7.550 1.00 12.29 C ATOM 2224 C GLU A 144 -12.588 5.148 8.953 1.00 12.31 C ATOM 2225 O GLU A 144 -12.534 4.018 9.445 1.00 12.33 O ATOM 2226 CB GLU A 144 -10.524 5.610 7.599 1.00 13.02 C ATOM 2227 CG GLU A 144 -9.775 4.426 8.188 1.00 13.41 C ATOM 2228 CD GLU A 144 -8.273 4.616 8.176 1.00 13.89 C ATOM 2229 OE1 GLU A 144 -7.616 4.124 7.232 1.00 14.11 O ATOM 2230 OE2 GLU A 144 -7.744 5.253 9.109 1.00 14.20 O ATOM 0 H GLU A 144 -12.223 7.474 7.172 1.00 12.31 H new ATOM 0 HA GLU A 144 -12.279 4.550 6.932 1.00 12.29 H new ATOM 0 HB2 GLU A 144 -10.158 5.794 6.589 1.00 13.02 H new ATOM 0 HB3 GLU A 144 -10.299 6.500 8.187 1.00 13.02 H new ATOM 0 HG2 GLU A 144 -10.108 4.265 9.213 1.00 13.41 H new ATOM 0 HG3 GLU A 144 -10.027 3.527 7.626 1.00 13.41 H new ATOM 2237 N GLY A 145 -13.109 6.181 9.595 1.00 12.50 N ATOM 2238 CA GLY A 145 -13.639 6.024 10.936 1.00 12.76 C ATOM 2239 C GLY A 145 -15.137 6.235 10.995 1.00 12.89 C ATOM 2240 O GLY A 145 -15.881 5.629 10.221 1.00 13.35 O ATOM 0 H GLY A 145 -13.175 7.125 9.214 1.00 12.50 H new ATOM 0 HA2 GLY A 145 -13.401 5.025 11.303 1.00 12.76 H new ATOM 0 HA3 GLY A 145 -13.149 6.734 11.603 1.00 12.76 H new ATOM 2244 N HIS A 146 -15.572 7.096 11.919 1.00 12.67 N ATOM 2245 CA HIS A 146 -16.989 7.438 12.094 1.00 12.99 C ATOM 2246 C HIS A 146 -17.783 6.264 12.664 1.00 12.58 C ATOM 2247 O HIS A 146 -17.357 5.111 12.605 1.00 11.92 O ATOM 2248 CB HIS A 146 -17.632 7.893 10.773 1.00 13.11 C ATOM 2249 CG HIS A 146 -17.099 9.185 10.232 1.00 13.73 C ATOM 2250 ND1 HIS A 146 -17.835 9.967 9.366 1.00 13.78 N ATOM 2251 CD2 HIS A 146 -15.909 9.789 10.468 1.00 14.46 C ATOM 2252 CE1 HIS A 146 -17.075 11.020 9.105 1.00 14.54 C ATOM 2253 NE2 HIS A 146 -15.900 10.954 9.752 1.00 14.96 N ATOM 0 H HIS A 146 -14.951 7.578 12.569 1.00 12.67 H new ATOM 0 HA HIS A 146 -17.021 8.265 12.803 1.00 12.99 H new ATOM 0 HB2 HIS A 146 -17.486 7.113 10.025 1.00 13.11 H new ATOM 0 HB3 HIS A 146 -18.707 7.993 10.923 1.00 13.11 H new ATOM 0 HD2 HIS A 146 -15.117 9.420 11.102 1.00 14.46 H new ATOM 0 HE1 HIS A 146 -17.364 11.831 8.453 1.00 14.54 H new ATOM 0 HE2 HIS A 146 -15.146 11.640 9.716 1.00 14.96 H new ATOM 2261 N GLN A 147 -18.934 6.583 13.240 1.00 13.15 N ATOM 2262 CA GLN A 147 -19.835 5.579 13.789 1.00 13.06 C ATOM 2263 C GLN A 147 -20.767 5.064 12.701 1.00 12.82 C ATOM 2264 O GLN A 147 -21.450 4.057 12.883 1.00 13.08 O ATOM 2265 CB GLN A 147 -20.670 6.152 14.945 1.00 14.01 C ATOM 2266 CG GLN A 147 -19.851 6.700 16.107 1.00 14.38 C ATOM 2267 CD GLN A 147 -19.296 8.088 15.844 1.00 14.79 C ATOM 2268 OE1 GLN A 147 -18.194 8.241 15.320 1.00 14.85 O ATOM 2269 NE2 GLN A 147 -20.056 9.107 16.210 1.00 15.24 N ATOM 0 H GLN A 147 -19.269 7.541 13.340 1.00 13.15 H new ATOM 0 HA GLN A 147 -19.227 4.760 14.173 1.00 13.06 H new ATOM 0 HB2 GLN A 147 -21.305 6.949 14.557 1.00 14.01 H new ATOM 0 HB3 GLN A 147 -21.332 5.371 15.320 1.00 14.01 H new ATOM 0 HG2 GLN A 147 -20.474 6.728 17.001 1.00 14.38 H new ATOM 0 HG3 GLN A 147 -19.026 6.019 16.315 1.00 14.38 H new ATOM 0 HE21 GLN A 147 -20.964 8.937 16.642 1.00 15.24 H new ATOM 0 HE22 GLN A 147 -19.734 10.063 16.060 1.00 15.24 H new ATOM 2278 N MET A 148 -20.804 5.801 11.589 1.00 12.52 N ATOM 2279 CA MET A 148 -21.656 5.494 10.432 1.00 12.47 C ATOM 2280 C MET A 148 -23.131 5.765 10.729 1.00 13.37 C ATOM 2281 O MET A 148 -23.807 6.432 9.951 1.00 13.85 O ATOM 2282 CB MET A 148 -21.460 4.054 9.942 1.00 11.69 C ATOM 2283 CG MET A 148 -22.343 3.697 8.755 1.00 11.72 C ATOM 2284 SD MET A 148 -21.943 2.092 8.040 1.00 11.68 S ATOM 2285 CE MET A 148 -23.237 1.949 6.809 1.00 11.96 C ATOM 0 H MET A 148 -20.237 6.639 11.462 1.00 12.52 H new ATOM 0 HA MET A 148 -21.345 6.163 9.630 1.00 12.47 H new ATOM 0 HB2 MET A 148 -20.416 3.911 9.665 1.00 11.69 H new ATOM 0 HB3 MET A 148 -21.670 3.367 10.762 1.00 11.69 H new ATOM 0 HG2 MET A 148 -23.386 3.698 9.071 1.00 11.72 H new ATOM 0 HG3 MET A 148 -22.241 4.466 7.989 1.00 11.72 H new ATOM 0 HE1 MET A 148 -23.119 1.012 6.264 1.00 11.96 H new ATOM 0 HE2 MET A 148 -24.210 1.963 7.300 1.00 11.96 H new ATOM 0 HE3 MET A 148 -23.171 2.785 6.113 1.00 11.96 H new ATOM 2295 N LYS A 149 -23.622 5.256 11.854 1.00 13.75 N ATOM 2296 CA LYS A 149 -25.002 5.491 12.267 1.00 14.74 C ATOM 2297 C LYS A 149 -25.239 6.978 12.513 1.00 15.59 C ATOM 2298 O LYS A 149 -26.296 7.517 12.186 1.00 16.38 O ATOM 2299 CB LYS A 149 -25.327 4.710 13.543 1.00 15.07 C ATOM 2300 CG LYS A 149 -25.092 3.211 13.444 1.00 14.89 C ATOM 2301 CD LYS A 149 -25.889 2.584 12.313 1.00 14.96 C ATOM 2302 CE LYS A 149 -25.934 1.069 12.440 1.00 15.59 C ATOM 2303 NZ LYS A 149 -24.576 0.472 12.517 1.00 15.96 N ATOM 0 H LYS A 149 -23.084 4.676 12.498 1.00 13.75 H new ATOM 0 HA LYS A 149 -25.654 5.148 11.464 1.00 14.74 H new ATOM 0 HB2 LYS A 149 -24.723 5.106 14.360 1.00 15.07 H new ATOM 0 HB3 LYS A 149 -26.371 4.885 13.804 1.00 15.07 H new ATOM 0 HG2 LYS A 149 -24.030 3.020 13.289 1.00 14.89 H new ATOM 0 HG3 LYS A 149 -25.367 2.738 14.387 1.00 14.89 H new ATOM 0 HD2 LYS A 149 -26.904 2.981 12.317 1.00 14.96 H new ATOM 0 HD3 LYS A 149 -25.443 2.858 11.357 1.00 14.96 H new ATOM 0 HE2 LYS A 149 -26.500 0.797 13.331 1.00 15.59 H new ATOM 0 HE3 LYS A 149 -26.465 0.650 11.585 1.00 15.59 H new ATOM 0 HZ1 LYS A 149 -24.644 -0.561 12.415 1.00 15.96 H new ATOM 0 HZ2 LYS A 149 -23.984 0.857 11.754 1.00 15.96 H new ATOM 0 HZ3 LYS A 149 -24.148 0.701 13.436 1.00 15.96 H new ATOM 2317 N ASP A 150 -24.234 7.628 13.085 1.00 15.52 N ATOM 2318 CA ASP A 150 -24.308 9.050 13.413 1.00 16.41 C ATOM 2319 C ASP A 150 -23.996 9.903 12.186 1.00 16.34 C ATOM 2320 O ASP A 150 -24.281 11.100 12.149 1.00 17.13 O ATOM 2321 CB ASP A 150 -23.324 9.360 14.547 1.00 16.67 C ATOM 2322 CG ASP A 150 -23.303 10.825 14.941 1.00 17.24 C ATOM 2323 OD1 ASP A 150 -24.290 11.299 15.540 1.00 17.41 O ATOM 2324 OD2 ASP A 150 -22.306 11.513 14.636 1.00 17.63 O ATOM 0 H ASP A 150 -23.348 7.189 13.335 1.00 15.52 H new ATOM 0 HA ASP A 150 -25.320 9.289 13.739 1.00 16.41 H new ATOM 0 HB2 ASP A 150 -23.585 8.760 15.419 1.00 16.67 H new ATOM 0 HB3 ASP A 150 -22.322 9.059 14.241 1.00 16.67 H new ATOM 2329 N CYS A 151 -23.429 9.265 11.176 1.00 15.51 N ATOM 2330 CA CYS A 151 -23.023 9.949 9.961 1.00 15.54 C ATOM 2331 C CYS A 151 -24.233 10.188 9.067 1.00 15.97 C ATOM 2332 O CYS A 151 -24.818 9.246 8.528 1.00 15.64 O ATOM 2333 CB CYS A 151 -21.979 9.113 9.225 1.00 14.63 C ATOM 2334 SG CYS A 151 -21.068 9.989 7.933 1.00 14.46 S ATOM 0 H CYS A 151 -23.238 8.263 11.175 1.00 15.51 H new ATOM 0 HA CYS A 151 -22.587 10.913 10.221 1.00 15.54 H new ATOM 0 HB2 CYS A 151 -21.266 8.727 9.953 1.00 14.63 H new ATOM 0 HB3 CYS A 151 -22.475 8.252 8.778 1.00 14.63 H new ATOM 2339 N THR A 152 -24.619 11.443 8.934 1.00 16.85 N ATOM 2340 CA THR A 152 -25.735 11.803 8.088 1.00 17.48 C ATOM 2341 C THR A 152 -25.284 12.823 7.046 1.00 17.79 C ATOM 2342 O THR A 152 -24.537 13.754 7.354 1.00 18.21 O ATOM 2343 CB THR A 152 -26.916 12.357 8.921 1.00 18.43 C ATOM 2344 OG1 THR A 152 -28.056 12.585 8.083 1.00 18.64 O ATOM 2345 CG2 THR A 152 -26.540 13.651 9.633 1.00 18.95 C ATOM 0 H THR A 152 -24.173 12.231 9.404 1.00 16.85 H new ATOM 0 HA THR A 152 -26.086 10.905 7.579 1.00 17.48 H new ATOM 0 HB THR A 152 -27.162 11.609 9.675 1.00 18.43 H new ATOM 0 HG1 THR A 152 -28.795 12.934 8.624 1.00 18.64 H new ATOM 0 HG21 THR A 152 -27.393 14.011 10.208 1.00 18.95 H new ATOM 0 HG22 THR A 152 -25.702 13.466 10.305 1.00 18.95 H new ATOM 0 HG23 THR A 152 -26.256 14.402 8.896 1.00 18.95 H new ATOM 2353 N GLU A 153 -25.705 12.623 5.808 1.00 17.71 N ATOM 2354 CA GLU A 153 -25.335 13.519 4.729 1.00 18.13 C ATOM 2355 C GLU A 153 -26.586 14.127 4.108 1.00 19.12 C ATOM 2356 O GLU A 153 -27.420 13.413 3.546 1.00 19.35 O ATOM 2357 CB GLU A 153 -24.524 12.774 3.666 1.00 17.70 C ATOM 2358 CG GLU A 153 -23.841 13.696 2.670 1.00 17.60 C ATOM 2359 CD GLU A 153 -22.811 14.594 3.328 1.00 17.59 C ATOM 2360 OE1 GLU A 153 -23.201 15.588 3.976 1.00 17.64 O ATOM 2361 OE2 GLU A 153 -21.601 14.312 3.198 1.00 17.65 O ATOM 0 H GLU A 153 -26.304 11.847 5.527 1.00 17.71 H new ATOM 0 HA GLU A 153 -24.715 14.319 5.135 1.00 18.13 H new ATOM 0 HB2 GLU A 153 -23.769 12.161 4.159 1.00 17.70 H new ATOM 0 HB3 GLU A 153 -25.184 12.094 3.127 1.00 17.70 H new ATOM 0 HG2 GLU A 153 -23.358 13.098 1.897 1.00 17.60 H new ATOM 0 HG3 GLU A 153 -24.592 14.311 2.174 1.00 17.60 H new ATOM 2368 N ARG A 154 -26.714 15.441 4.216 1.00 19.80 N ATOM 2369 CA ARG A 154 -27.902 16.135 3.735 1.00 20.84 C ATOM 2370 C ARG A 154 -27.852 16.329 2.219 1.00 21.28 C ATOM 2371 O ARG A 154 -27.540 17.409 1.718 1.00 21.68 O ATOM 2372 CB ARG A 154 -28.079 17.478 4.457 1.00 21.38 C ATOM 2373 CG ARG A 154 -26.870 18.398 4.380 1.00 21.89 C ATOM 2374 CD ARG A 154 -27.139 19.725 5.067 1.00 22.33 C ATOM 2375 NE ARG A 154 -26.029 20.660 4.893 1.00 22.67 N ATOM 2376 CZ ARG A 154 -25.945 21.844 5.498 1.00 23.08 C ATOM 2377 NH1 ARG A 154 -26.910 22.260 6.310 1.00 23.21 N ATOM 2378 NH2 ARG A 154 -24.895 22.621 5.274 1.00 23.48 N ATOM 0 H ARG A 154 -26.010 16.050 4.633 1.00 19.80 H new ATOM 0 HA ARG A 154 -28.768 15.513 3.961 1.00 20.84 H new ATOM 0 HB2 ARG A 154 -28.940 17.994 4.033 1.00 21.38 H new ATOM 0 HB3 ARG A 154 -28.307 17.286 5.505 1.00 21.38 H new ATOM 0 HG2 ARG A 154 -26.012 17.913 4.845 1.00 21.89 H new ATOM 0 HG3 ARG A 154 -26.610 18.573 3.336 1.00 21.89 H new ATOM 0 HD2 ARG A 154 -28.051 20.165 4.664 1.00 22.33 H new ATOM 0 HD3 ARG A 154 -27.309 19.556 6.130 1.00 22.33 H new ATOM 0 HE ARG A 154 -25.270 20.388 4.268 1.00 22.67 H new ATOM 0 HH11 ARG A 154 -27.726 21.671 6.476 1.00 23.21 H new ATOM 0 HH12 ARG A 154 -26.835 23.168 6.768 1.00 23.21 H new ATOM 0 HH21 ARG A 154 -24.157 22.311 4.641 1.00 23.48 H new ATOM 0 HH22 ARG A 154 -24.825 23.529 5.734 1.00 23.48 H new ATOM 2392 N GLN A 155 -28.150 15.267 1.493 1.00 21.32 N ATOM 2393 CA GLN A 155 -28.202 15.324 0.043 1.00 21.85 C ATOM 2394 C GLN A 155 -29.609 14.998 -0.444 1.00 22.14 C ATOM 2395 O GLN A 155 -30.170 13.954 -0.107 1.00 22.34 O ATOM 2396 CB GLN A 155 -27.175 14.370 -0.575 1.00 21.93 C ATOM 2397 CG GLN A 155 -27.288 12.935 -0.087 1.00 22.12 C ATOM 2398 CD GLN A 155 -26.325 12.005 -0.793 1.00 22.30 C ATOM 2399 OE1 GLN A 155 -26.648 11.432 -1.833 1.00 22.37 O ATOM 2400 NE2 GLN A 155 -25.134 11.851 -0.242 1.00 22.51 N ATOM 0 H GLN A 155 -28.361 14.350 1.886 1.00 21.32 H new ATOM 0 HA GLN A 155 -27.951 16.336 -0.275 1.00 21.85 H new ATOM 0 HB2 GLN A 155 -27.289 14.384 -1.659 1.00 21.93 H new ATOM 0 HB3 GLN A 155 -26.173 14.739 -0.355 1.00 21.93 H new ATOM 0 HG2 GLN A 155 -27.098 12.903 0.986 1.00 22.12 H new ATOM 0 HG3 GLN A 155 -28.308 12.582 -0.240 1.00 22.12 H new ATOM 0 HE21 GLN A 155 -24.904 12.344 0.621 1.00 22.51 H new ATOM 0 HE22 GLN A 155 -24.445 11.240 -0.680 1.00 22.51 H new ATOM 2409 N ALA A 156 -30.182 15.903 -1.220 1.00 22.27 N ATOM 2410 CA ALA A 156 -31.540 15.741 -1.709 1.00 22.67 C ATOM 2411 C ALA A 156 -31.547 15.074 -3.078 1.00 23.02 C ATOM 2412 O ALA A 156 -31.469 15.743 -4.112 1.00 23.30 O ATOM 2413 CB ALA A 156 -32.248 17.086 -1.757 1.00 22.74 C ATOM 0 H ALA A 156 -29.724 16.762 -1.526 1.00 22.27 H new ATOM 0 HA ALA A 156 -32.080 15.093 -1.019 1.00 22.67 H new ATOM 0 HB1 ALA A 156 -33.265 16.949 -2.125 1.00 22.74 H new ATOM 0 HB2 ALA A 156 -32.280 17.516 -0.756 1.00 22.74 H new ATOM 0 HB3 ALA A 156 -31.708 17.758 -2.424 1.00 22.74 H new ATOM 2419 N ASN A 157 -31.630 13.753 -3.072 1.00 23.11 N ATOM 2420 CA ASN A 157 -31.637 12.975 -4.303 1.00 23.57 C ATOM 2421 C ASN A 157 -33.021 12.982 -4.930 1.00 23.76 C ATOM 2422 O ASN A 157 -33.931 12.338 -4.370 1.00 23.91 O ATOM 2423 CB ASN A 157 -31.198 11.532 -4.041 1.00 23.80 C ATOM 2424 CG ASN A 157 -29.742 11.430 -3.632 1.00 23.98 C ATOM 2425 OD1 ASN A 157 -28.858 11.320 -4.478 1.00 23.92 O ATOM 2426 ND2 ASN A 157 -29.480 11.459 -2.336 1.00 24.30 N ATOM 2427 OXT ASN A 157 -33.198 13.624 -5.984 1.00 23.85 O ATOM 0 H ASN A 157 -31.694 13.193 -2.222 1.00 23.11 H new ATOM 0 HA ASN A 157 -30.930 13.436 -4.992 1.00 23.57 H new ATOM 0 HB2 ASN A 157 -31.822 11.103 -3.257 1.00 23.80 H new ATOM 0 HB3 ASN A 157 -31.361 10.938 -4.940 1.00 23.80 H new ATOM 0 HD21 ASN A 157 -28.516 11.389 -2.009 1.00 24.30 H new ATOM 0 HD22 ASN A 157 -30.241 11.552 -1.664 1.00 24.30 H new TER 2434 ASN A 157 HETATM 2435 ZN ZN A 201 -12.104 -3.701 -3.789 1.00 9.38 ZN HETATM 2436 ZN ZN A 202 -18.934 9.149 7.890 1.00 13.43 ZN