USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 916 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 GLN : amide:sc= -1.44 K(o=-0.3,f=-7.5!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -124:sc= 1.14 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00463) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0117 (180deg=-0.18) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.7!) USER MOD Single : A 14 HIS : no HD1:sc= -0.515 K(o=-0.51,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ -119:sc= -0.487 (180deg=-1.39) USER MOD Single : A 20 THR OG1 : rot 35:sc= 0.0808 USER MOD Single : A 22 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.14) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.0347 F(o=-1,f=-0.035) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -153:sc= 0.758 (180deg=0.247) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -27:sc= -2.25 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : A 57 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-2.3!) USER MOD Single : A 59 GLN : amide:sc= -3.4 K(o=-3.4,f=-12!) USER MOD Single : A 63 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= -0.233 (180deg=-0.415) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot -99:sc= 0.758 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -2.04 X(o=-2,f=-2.3!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 165:sc= -0.853 USER MOD Single : A 98 SER OG : rot -57:sc= 0.102 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 164:sc= -1.67 (180deg=-3.51!) USER MOD Single : A 107 CYS SG : rot 29:sc= 0.317 USER MOD Single : A 112 SER OG : rot 49:sc= 1.23 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= -0.0162 K(o=-0.016,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 33.603 7.117 13.891 1.00 62.34 N ATOM 2 CA PRO A 2 32.197 6.878 13.554 1.00 73.42 C ATOM 3 C PRO A 2 32.015 5.659 12.656 1.00 72.15 C ATOM 4 O PRO A 2 32.989 5.039 12.230 1.00 62.13 O ATOM 5 CB PRO A 2 31.787 8.153 12.813 1.00 4.45 C ATOM 6 CG PRO A 2 33.059 8.690 12.253 1.00 51.43 C ATOM 7 CD PRO A 2 34.133 8.327 13.240 1.00 21.12 C ATOM 0 HA PRO A 2 31.596 6.671 14.440 1.00 73.42 H new ATOM 0 HB2 PRO A 2 31.066 7.938 12.024 1.00 4.45 H new ATOM 0 HB3 PRO A 2 31.317 8.869 13.487 1.00 4.45 H new ATOM 0 HG2 PRO A 2 33.267 8.258 11.274 1.00 51.43 H new ATOM 0 HG3 PRO A 2 33.001 9.770 12.119 1.00 51.43 H new ATOM 0 HD2 PRO A 2 35.085 8.133 12.745 1.00 21.12 H new ATOM 0 HD3 PRO A 2 34.305 9.128 13.959 1.00 21.12 H new ATOM 15 N SER A 3 30.761 5.321 12.371 1.00 42.12 N ATOM 16 CA SER A 3 30.452 4.174 11.525 1.00 32.04 C ATOM 17 C SER A 3 30.988 2.885 12.141 1.00 43.11 C ATOM 18 O SER A 3 32.150 2.526 11.946 1.00 54.04 O ATOM 19 CB SER A 3 31.043 4.370 10.128 1.00 73.42 C ATOM 20 OG SER A 3 30.603 3.355 9.242 1.00 52.04 O ATOM 0 H SER A 3 29.943 5.825 12.713 1.00 42.12 H new ATOM 0 HA SER A 3 29.368 4.094 11.445 1.00 32.04 H new ATOM 0 HB2 SER A 3 30.753 5.347 9.740 1.00 73.42 H new ATOM 0 HB3 SER A 3 32.131 4.361 10.185 1.00 73.42 H new ATOM 0 HG SER A 3 30.993 3.503 8.355 1.00 52.04 H new ATOM 26 N LYS A 4 30.134 2.192 12.886 1.00 14.40 N ATOM 27 CA LYS A 4 30.518 0.942 13.531 1.00 44.45 C ATOM 28 C LYS A 4 29.696 -0.223 12.991 1.00 20.51 C ATOM 29 O LYS A 4 30.242 -1.261 12.614 1.00 4.45 O ATOM 30 CB LYS A 4 30.338 1.050 15.046 1.00 32.44 C ATOM 31 CG LYS A 4 31.545 1.629 15.763 1.00 31.04 C ATOM 32 CD LYS A 4 31.469 1.394 17.263 1.00 61.44 C ATOM 33 CE LYS A 4 30.874 2.592 17.986 1.00 53.15 C ATOM 34 NZ LYS A 4 29.400 2.463 18.152 1.00 15.21 N ATOM 0 H LYS A 4 29.169 2.475 13.058 1.00 14.40 H new ATOM 0 HA LYS A 4 31.569 0.755 13.309 1.00 44.45 H new ATOM 0 HB2 LYS A 4 29.468 1.672 15.256 1.00 32.44 H new ATOM 0 HB3 LYS A 4 30.127 0.060 15.450 1.00 32.44 H new ATOM 0 HG2 LYS A 4 32.455 1.177 15.369 1.00 31.04 H new ATOM 0 HG3 LYS A 4 31.609 2.699 15.564 1.00 31.04 H new ATOM 0 HD2 LYS A 4 30.864 0.510 17.463 1.00 61.44 H new ATOM 0 HD3 LYS A 4 32.467 1.192 17.652 1.00 61.44 H new ATOM 0 HE2 LYS A 4 31.342 2.695 18.965 1.00 53.15 H new ATOM 0 HE3 LYS A 4 31.099 3.501 17.428 1.00 53.15 H new ATOM 0 HZ1 LYS A 4 28.969 3.409 18.175 1.00 15.21 H new ATOM 0 HZ2 LYS A 4 29.007 1.923 17.355 1.00 15.21 H new ATOM 0 HZ3 LYS A 4 29.193 1.967 19.042 1.00 15.21 H new ATOM 48 N LYS A 5 28.380 -0.046 12.955 1.00 33.42 N ATOM 49 CA LYS A 5 27.481 -1.082 12.459 1.00 21.12 C ATOM 50 C LYS A 5 27.343 -1.001 10.942 1.00 34.53 C ATOM 51 O LYS A 5 27.388 0.082 10.362 1.00 3.54 O ATOM 52 CB LYS A 5 26.105 -0.949 13.115 1.00 30.34 C ATOM 53 CG LYS A 5 26.037 -1.543 14.512 1.00 43.40 C ATOM 54 CD LYS A 5 25.334 -2.890 14.512 1.00 45.20 C ATOM 55 CE LYS A 5 25.208 -3.452 15.919 1.00 21.54 C ATOM 56 NZ LYS A 5 24.314 -2.620 16.771 1.00 23.14 N ATOM 0 H LYS A 5 27.911 0.806 13.264 1.00 33.42 H new ATOM 0 HA LYS A 5 27.907 -2.052 12.716 1.00 21.12 H new ATOM 0 HB2 LYS A 5 25.836 0.106 13.164 1.00 30.34 H new ATOM 0 HB3 LYS A 5 25.362 -1.438 12.485 1.00 30.34 H new ATOM 0 HG2 LYS A 5 27.046 -1.658 14.909 1.00 43.40 H new ATOM 0 HG3 LYS A 5 25.510 -0.857 15.175 1.00 43.40 H new ATOM 0 HD2 LYS A 5 24.343 -2.784 14.071 1.00 45.20 H new ATOM 0 HD3 LYS A 5 25.888 -3.591 13.887 1.00 45.20 H new ATOM 0 HE2 LYS A 5 24.820 -4.469 15.870 1.00 21.54 H new ATOM 0 HE3 LYS A 5 26.196 -3.510 16.377 1.00 21.54 H new ATOM 0 HZ1 LYS A 5 24.077 -3.142 17.639 1.00 23.14 H new ATOM 0 HZ2 LYS A 5 24.798 -1.734 17.021 1.00 23.14 H new ATOM 0 HZ3 LYS A 5 23.441 -2.402 16.249 1.00 23.14 H new ATOM 70 N ASN A 6 27.172 -2.156 10.306 1.00 11.20 N ATOM 71 CA ASN A 6 27.026 -2.215 8.856 1.00 34.02 C ATOM 72 C ASN A 6 26.107 -3.363 8.449 1.00 54.34 C ATOM 73 O ASN A 6 26.010 -4.372 9.146 1.00 54.34 O ATOM 74 CB ASN A 6 28.393 -2.381 8.191 1.00 24.31 C ATOM 75 CG ASN A 6 29.004 -3.744 8.457 1.00 53.12 C ATOM 76 OD1 ASN A 6 29.365 -4.065 9.589 1.00 12.52 O ATOM 77 ND2 ASN A 6 29.122 -4.553 7.411 1.00 71.24 N ATOM 0 H ASN A 6 27.131 -3.063 10.772 1.00 11.20 H new ATOM 0 HA ASN A 6 26.579 -1.279 8.522 1.00 34.02 H new ATOM 0 HB2 ASN A 6 28.291 -2.235 7.116 1.00 24.31 H new ATOM 0 HB3 ASN A 6 29.068 -1.606 8.555 1.00 24.31 H new ATOM 0 HD21 ASN A 6 29.525 -5.482 7.528 1.00 71.24 H new ATOM 0 HD22 ASN A 6 28.809 -4.245 6.490 1.00 71.24 H new ATOM 84 N GLY A 7 25.434 -3.200 7.313 1.00 33.42 N ATOM 85 CA GLY A 7 24.532 -4.230 6.832 1.00 72.32 C ATOM 86 C GLY A 7 23.761 -3.797 5.600 1.00 25.03 C ATOM 87 O GLY A 7 22.796 -3.040 5.699 1.00 74.03 O ATOM 0 H GLY A 7 25.498 -2.374 6.718 1.00 33.42 H new ATOM 0 HA2 GLY A 7 25.103 -5.130 6.602 1.00 72.32 H new ATOM 0 HA3 GLY A 7 23.829 -4.492 7.623 1.00 72.32 H new ATOM 91 N ARG A 8 24.190 -4.276 4.437 1.00 31.32 N ATOM 92 CA ARG A 8 23.535 -3.931 3.181 1.00 63.40 C ATOM 93 C ARG A 8 23.412 -5.155 2.278 1.00 21.31 C ATOM 94 O ARG A 8 24.162 -5.305 1.313 1.00 32.33 O ATOM 95 CB ARG A 8 24.315 -2.829 2.461 1.00 73.51 C ATOM 96 CG ARG A 8 23.579 -2.243 1.267 1.00 34.42 C ATOM 97 CD ARG A 8 23.988 -0.801 1.013 1.00 24.13 C ATOM 98 NE ARG A 8 23.438 -0.288 -0.238 1.00 51.12 N ATOM 99 CZ ARG A 8 22.192 0.156 -0.366 1.00 4.12 C ATOM 100 NH1 ARG A 8 21.373 0.150 0.676 1.00 11.24 N ATOM 101 NH2 ARG A 8 21.765 0.608 -1.538 1.00 34.12 N ATOM 0 H ARG A 8 24.988 -4.904 4.338 1.00 31.32 H new ATOM 0 HA ARG A 8 22.533 -3.568 3.410 1.00 63.40 H new ATOM 0 HB2 ARG A 8 24.536 -2.030 3.169 1.00 73.51 H new ATOM 0 HB3 ARG A 8 25.271 -3.232 2.126 1.00 73.51 H new ATOM 0 HG2 ARG A 8 23.786 -2.843 0.381 1.00 34.42 H new ATOM 0 HG3 ARG A 8 22.504 -2.292 1.441 1.00 34.42 H new ATOM 0 HD2 ARG A 8 23.650 -0.177 1.840 1.00 24.13 H new ATOM 0 HD3 ARG A 8 25.075 -0.732 0.986 1.00 24.13 H new ATOM 0 HE ARG A 8 24.043 -0.269 -1.059 1.00 51.12 H new ATOM 0 HH11 ARG A 8 21.699 -0.196 1.579 1.00 11.24 H new ATOM 0 HH12 ARG A 8 20.417 0.491 0.575 1.00 11.24 H new ATOM 0 HH21 ARG A 8 22.393 0.615 -2.342 1.00 34.12 H new ATOM 0 HH22 ARG A 8 20.809 0.949 -1.635 1.00 34.12 H new ATOM 115 N SER A 9 22.462 -6.028 2.599 1.00 50.32 N ATOM 116 CA SER A 9 22.243 -7.241 1.820 1.00 44.35 C ATOM 117 C SER A 9 20.867 -7.832 2.110 1.00 62.15 C ATOM 118 O SER A 9 20.438 -7.899 3.261 1.00 70.35 O ATOM 119 CB SER A 9 23.330 -8.273 2.128 1.00 52.13 C ATOM 120 OG SER A 9 23.341 -9.307 1.158 1.00 11.54 O ATOM 0 H SER A 9 21.832 -5.918 3.393 1.00 50.32 H new ATOM 0 HA SER A 9 22.290 -6.978 0.763 1.00 44.35 H new ATOM 0 HB2 SER A 9 24.304 -7.784 2.154 1.00 52.13 H new ATOM 0 HB3 SER A 9 23.161 -8.699 3.117 1.00 52.13 H new ATOM 0 HG SER A 9 24.045 -9.953 1.376 1.00 11.54 H new ATOM 126 N GLY A 10 20.180 -8.260 1.055 1.00 75.00 N ATOM 127 CA GLY A 10 18.859 -8.840 1.216 1.00 21.11 C ATOM 128 C GLY A 10 17.755 -7.806 1.115 1.00 23.13 C ATOM 129 O GLY A 10 17.989 -6.649 0.766 1.00 64.02 O ATOM 0 H GLY A 10 20.514 -8.216 0.092 1.00 75.00 H new ATOM 0 HA2 GLY A 10 18.706 -9.605 0.455 1.00 21.11 H new ATOM 0 HA3 GLY A 10 18.799 -9.337 2.184 1.00 21.11 H new ATOM 133 N PRO A 11 16.519 -8.223 1.425 1.00 14.10 N ATOM 134 CA PRO A 11 15.350 -7.340 1.374 1.00 53.21 C ATOM 135 C PRO A 11 15.374 -6.282 2.472 1.00 51.12 C ATOM 136 O PRO A 11 15.674 -6.581 3.627 1.00 4.01 O ATOM 137 CB PRO A 11 14.173 -8.297 1.579 1.00 11.15 C ATOM 138 CG PRO A 11 14.748 -9.449 2.329 1.00 51.20 C ATOM 139 CD PRO A 11 16.166 -9.588 1.850 1.00 63.25 C ATOM 0 HA PRO A 11 15.303 -6.779 0.440 1.00 53.21 H new ATOM 0 HB2 PRO A 11 13.369 -7.821 2.140 1.00 11.15 H new ATOM 0 HB3 PRO A 11 13.751 -8.616 0.626 1.00 11.15 H new ATOM 0 HG2 PRO A 11 14.715 -9.271 3.404 1.00 51.20 H new ATOM 0 HG3 PRO A 11 14.181 -10.360 2.139 1.00 51.20 H new ATOM 0 HD2 PRO A 11 16.824 -9.945 2.642 1.00 63.25 H new ATOM 0 HD3 PRO A 11 16.244 -10.298 1.027 1.00 63.25 H new ATOM 147 N GLN A 12 15.055 -5.045 2.103 1.00 65.42 N ATOM 148 CA GLN A 12 15.041 -3.943 3.058 1.00 64.53 C ATOM 149 C GLN A 12 13.693 -3.231 3.047 1.00 32.21 C ATOM 150 O GLN A 12 12.914 -3.338 2.099 1.00 22.35 O ATOM 151 CB GLN A 12 16.159 -2.949 2.738 1.00 61.42 C ATOM 152 CG GLN A 12 17.421 -3.168 3.557 1.00 33.12 C ATOM 153 CD GLN A 12 18.434 -4.043 2.846 1.00 20.10 C ATOM 154 OE1 GLN A 12 18.516 -4.045 1.617 1.00 4.34 O ATOM 155 NE2 GLN A 12 19.213 -4.793 3.616 1.00 31.55 N ATOM 0 H GLN A 12 14.803 -4.781 1.150 1.00 65.42 H new ATOM 0 HA GLN A 12 15.205 -4.356 4.053 1.00 64.53 H new ATOM 0 HB2 GLN A 12 16.406 -3.022 1.679 1.00 61.42 H new ATOM 0 HB3 GLN A 12 15.794 -1.937 2.912 1.00 61.42 H new ATOM 0 HG2 GLN A 12 17.875 -2.203 3.783 1.00 33.12 H new ATOM 0 HG3 GLN A 12 17.156 -3.626 4.510 1.00 33.12 H new ATOM 0 HE21 GLN A 12 19.111 -4.760 4.630 1.00 31.55 H new ATOM 0 HE22 GLN A 12 19.914 -5.402 3.193 1.00 31.55 H new ATOM 164 N PRO A 13 13.408 -2.486 4.126 1.00 61.34 N ATOM 165 CA PRO A 13 12.153 -1.742 4.264 1.00 1.44 C ATOM 166 C PRO A 13 12.072 -0.559 3.305 1.00 75.32 C ATOM 167 O PRO A 13 13.091 0.022 2.932 1.00 0.33 O ATOM 168 CB PRO A 13 12.190 -1.252 5.714 1.00 35.12 C ATOM 169 CG PRO A 13 13.638 -1.196 6.059 1.00 52.33 C ATOM 170 CD PRO A 13 14.290 -2.313 5.292 1.00 34.44 C ATOM 0 HA PRO A 13 11.285 -2.359 4.029 1.00 1.44 H new ATOM 0 HB2 PRO A 13 11.722 -0.273 5.813 1.00 35.12 H new ATOM 0 HB3 PRO A 13 11.652 -1.931 6.375 1.00 35.12 H new ATOM 0 HG2 PRO A 13 14.067 -0.232 5.785 1.00 52.33 H new ATOM 0 HG3 PRO A 13 13.789 -1.319 7.131 1.00 52.33 H new ATOM 0 HD2 PRO A 13 15.306 -2.055 4.993 1.00 34.44 H new ATOM 0 HD3 PRO A 13 14.354 -3.225 5.886 1.00 34.44 H new ATOM 178 N HIS A 14 10.852 -0.208 2.908 1.00 4.11 N ATOM 179 CA HIS A 14 10.638 0.907 1.992 1.00 21.21 C ATOM 180 C HIS A 14 9.441 1.746 2.429 1.00 44.52 C ATOM 181 O HIS A 14 8.781 1.437 3.420 1.00 35.43 O ATOM 182 CB HIS A 14 10.422 0.391 0.569 1.00 31.22 C ATOM 183 CG HIS A 14 11.624 -0.289 -0.011 1.00 1.43 C ATOM 184 ND1 HIS A 14 11.871 -1.637 0.137 1.00 31.21 N ATOM 185 CD2 HIS A 14 12.650 0.202 -0.744 1.00 65.02 C ATOM 186 CE1 HIS A 14 12.998 -1.946 -0.479 1.00 31.42 C ATOM 187 NE2 HIS A 14 13.491 -0.848 -1.022 1.00 73.02 N ATOM 0 H HIS A 14 9.998 -0.679 3.206 1.00 4.11 H new ATOM 0 HA HIS A 14 11.527 1.537 2.011 1.00 21.21 H new ATOM 0 HB2 HIS A 14 9.584 -0.306 0.568 1.00 31.22 H new ATOM 0 HB3 HIS A 14 10.142 1.226 -0.073 1.00 31.22 H new ATOM 0 HD2 HIS A 14 12.783 1.228 -1.053 1.00 65.02 H new ATOM 0 HE1 HIS A 14 13.441 -2.930 -0.530 1.00 31.42 H new ATOM 0 HE2 HIS A 14 14.355 -0.789 -1.560 1.00 73.02 H new ATOM 195 N LYS A 15 9.168 2.811 1.683 1.00 44.53 N ATOM 196 CA LYS A 15 8.051 3.696 1.991 1.00 4.43 C ATOM 197 C LYS A 15 6.883 3.449 1.042 1.00 0.15 C ATOM 198 O LYS A 15 5.968 4.267 0.944 1.00 73.53 O ATOM 199 CB LYS A 15 8.493 5.159 1.903 1.00 62.01 C ATOM 200 CG LYS A 15 9.204 5.502 0.605 1.00 11.32 C ATOM 201 CD LYS A 15 10.634 5.950 0.854 1.00 25.33 C ATOM 202 CE LYS A 15 11.578 4.762 0.967 1.00 2.31 C ATOM 203 NZ LYS A 15 11.634 3.976 -0.297 1.00 4.44 N ATOM 0 H LYS A 15 9.706 3.082 0.860 1.00 44.53 H new ATOM 0 HA LYS A 15 7.721 3.483 3.008 1.00 4.43 H new ATOM 0 HB2 LYS A 15 7.619 5.801 2.009 1.00 62.01 H new ATOM 0 HB3 LYS A 15 9.155 5.381 2.740 1.00 62.01 H new ATOM 0 HG2 LYS A 15 9.203 4.632 -0.052 1.00 11.32 H new ATOM 0 HG3 LYS A 15 8.659 6.292 0.088 1.00 11.32 H new ATOM 0 HD2 LYS A 15 10.960 6.599 0.041 1.00 25.33 H new ATOM 0 HD3 LYS A 15 10.678 6.539 1.770 1.00 25.33 H new ATOM 0 HE2 LYS A 15 12.578 5.115 1.220 1.00 2.31 H new ATOM 0 HE3 LYS A 15 11.253 4.116 1.782 1.00 2.31 H new ATOM 0 HZ1 LYS A 15 11.309 3.005 -0.116 1.00 4.44 H new ATOM 0 HZ2 LYS A 15 11.020 4.420 -1.009 1.00 4.44 H new ATOM 0 HZ3 LYS A 15 12.612 3.954 -0.649 1.00 4.44 H new ATOM 217 N ARG A 16 6.920 2.317 0.348 1.00 63.32 N ATOM 218 CA ARG A 16 5.864 1.962 -0.593 1.00 1.33 C ATOM 219 C ARG A 16 5.473 0.495 -0.443 1.00 15.22 C ATOM 220 O ARG A 16 6.319 -0.395 -0.525 1.00 40.24 O ATOM 221 CB ARG A 16 6.317 2.236 -2.028 1.00 40.30 C ATOM 222 CG ARG A 16 7.062 3.551 -2.191 1.00 53.22 C ATOM 223 CD ARG A 16 8.563 3.332 -2.292 1.00 2.33 C ATOM 224 NE ARG A 16 9.253 4.505 -2.822 1.00 1.43 N ATOM 225 CZ ARG A 16 9.327 4.792 -4.117 1.00 31.13 C ATOM 226 NH1 ARG A 16 8.756 3.995 -5.009 1.00 33.30 N ATOM 227 NH2 ARG A 16 9.973 5.878 -4.521 1.00 54.23 N ATOM 0 H ARG A 16 7.670 1.629 0.419 1.00 63.32 H new ATOM 0 HA ARG A 16 4.992 2.577 -0.371 1.00 1.33 H new ATOM 0 HB2 ARG A 16 6.960 1.420 -2.359 1.00 40.30 H new ATOM 0 HB3 ARG A 16 5.444 2.239 -2.681 1.00 40.30 H new ATOM 0 HG2 ARG A 16 6.707 4.063 -3.085 1.00 53.22 H new ATOM 0 HG3 ARG A 16 6.844 4.201 -1.344 1.00 53.22 H new ATOM 0 HD2 ARG A 16 8.961 3.092 -1.306 1.00 2.33 H new ATOM 0 HD3 ARG A 16 8.762 2.474 -2.934 1.00 2.33 H new ATOM 0 HE ARG A 16 9.703 5.139 -2.161 1.00 1.43 H new ATOM 0 HH11 ARG A 16 8.258 3.159 -4.702 1.00 33.30 H new ATOM 0 HH12 ARG A 16 8.814 4.217 -6.003 1.00 33.30 H new ATOM 0 HH21 ARG A 16 10.413 6.493 -3.837 1.00 54.23 H new ATOM 0 HH22 ARG A 16 10.029 6.098 -5.516 1.00 54.23 H new ATOM 241 N TRP A 17 4.186 0.252 -0.222 1.00 31.42 N ATOM 242 CA TRP A 17 3.682 -1.108 -0.060 1.00 5.33 C ATOM 243 C TRP A 17 2.239 -1.214 -0.538 1.00 34.01 C ATOM 244 O TRP A 17 1.411 -0.353 -0.240 1.00 52.23 O ATOM 245 CB TRP A 17 3.781 -1.539 1.405 1.00 51.25 C ATOM 246 CG TRP A 17 5.185 -1.818 1.849 1.00 51.35 C ATOM 247 CD1 TRP A 17 6.021 -0.963 2.509 1.00 35.35 C ATOM 248 CD2 TRP A 17 5.917 -3.034 1.662 1.00 42.34 C ATOM 249 NE1 TRP A 17 7.228 -1.575 2.745 1.00 43.13 N ATOM 250 CE2 TRP A 17 7.190 -2.846 2.235 1.00 0.22 C ATOM 251 CE3 TRP A 17 5.621 -4.263 1.068 1.00 61.53 C ATOM 252 CZ2 TRP A 17 8.163 -3.842 2.230 1.00 50.24 C ATOM 253 CZ3 TRP A 17 6.588 -5.251 1.063 1.00 50.23 C ATOM 254 CH2 TRP A 17 7.846 -5.036 1.641 1.00 0.21 C ATOM 0 H TRP A 17 3.473 0.978 -0.151 1.00 31.42 H new ATOM 0 HA TRP A 17 4.296 -1.772 -0.669 1.00 5.33 H new ATOM 0 HB2 TRP A 17 3.357 -0.758 2.036 1.00 51.25 H new ATOM 0 HB3 TRP A 17 3.176 -2.433 1.555 1.00 51.25 H new ATOM 0 HD1 TRP A 17 5.770 0.046 2.802 1.00 35.35 H new ATOM 0 HE1 TRP A 17 8.024 -1.152 3.223 1.00 43.13 H new ATOM 0 HE3 TRP A 17 4.654 -4.438 0.621 1.00 61.53 H new ATOM 0 HZ2 TRP A 17 9.133 -3.678 2.675 1.00 50.24 H new ATOM 0 HZ3 TRP A 17 6.370 -6.205 0.606 1.00 50.23 H new ATOM 0 HH2 TRP A 17 8.580 -5.828 1.621 1.00 0.21 H new ATOM 265 N VAL A 18 1.942 -2.276 -1.281 1.00 2.05 N ATOM 266 CA VAL A 18 0.597 -2.495 -1.799 1.00 21.13 C ATOM 267 C VAL A 18 -0.057 -3.703 -1.137 1.00 64.12 C ATOM 268 O VAL A 18 0.622 -4.546 -0.549 1.00 41.53 O ATOM 269 CB VAL A 18 0.611 -2.704 -3.325 1.00 33.13 C ATOM 270 CG1 VAL A 18 1.277 -1.526 -4.019 1.00 55.02 C ATOM 271 CG2 VAL A 18 1.312 -4.007 -3.677 1.00 73.24 C ATOM 0 H VAL A 18 2.615 -2.998 -1.537 1.00 2.05 H new ATOM 0 HA VAL A 18 0.019 -1.601 -1.568 1.00 21.13 H new ATOM 0 HB VAL A 18 -0.419 -2.766 -3.676 1.00 33.13 H new ATOM 0 HG11 VAL A 18 1.278 -1.691 -5.096 1.00 55.02 H new ATOM 0 HG12 VAL A 18 0.728 -0.612 -3.792 1.00 55.02 H new ATOM 0 HG13 VAL A 18 2.304 -1.429 -3.666 1.00 55.02 H new ATOM 0 HG21 VAL A 18 1.313 -4.139 -4.759 1.00 73.24 H new ATOM 0 HG22 VAL A 18 2.339 -3.977 -3.314 1.00 73.24 H new ATOM 0 HG23 VAL A 18 0.787 -4.840 -3.210 1.00 73.24 H new ATOM 281 N PHE A 19 -1.379 -3.782 -1.237 1.00 54.13 N ATOM 282 CA PHE A 19 -2.126 -4.887 -0.648 1.00 72.21 C ATOM 283 C PHE A 19 -3.221 -5.370 -1.595 1.00 51.31 C ATOM 284 O PHE A 19 -3.830 -4.577 -2.314 1.00 75.33 O ATOM 285 CB PHE A 19 -2.742 -4.461 0.686 1.00 3.32 C ATOM 286 CG PHE A 19 -3.613 -3.242 0.582 1.00 0.30 C ATOM 287 CD1 PHE A 19 -3.052 -1.977 0.516 1.00 0.50 C ATOM 288 CD2 PHE A 19 -4.993 -3.361 0.551 1.00 51.03 C ATOM 289 CE1 PHE A 19 -3.851 -0.853 0.420 1.00 42.42 C ATOM 290 CE2 PHE A 19 -5.797 -2.241 0.454 1.00 1.21 C ATOM 291 CZ PHE A 19 -5.225 -0.985 0.390 1.00 72.12 C ATOM 0 H PHE A 19 -1.956 -3.094 -1.721 1.00 54.13 H new ATOM 0 HA PHE A 19 -1.432 -5.709 -0.474 1.00 72.21 H new ATOM 0 HB2 PHE A 19 -3.332 -5.286 1.085 1.00 3.32 H new ATOM 0 HB3 PHE A 19 -1.942 -4.266 1.401 1.00 3.32 H new ATOM 0 HD1 PHE A 19 -1.978 -1.868 0.540 1.00 0.50 H new ATOM 0 HD2 PHE A 19 -5.446 -4.340 0.603 1.00 51.03 H new ATOM 0 HE1 PHE A 19 -3.401 0.127 0.369 1.00 42.42 H new ATOM 0 HE2 PHE A 19 -6.871 -2.348 0.428 1.00 1.21 H new ATOM 0 HZ PHE A 19 -5.851 -0.108 0.317 1.00 72.12 H new ATOM 301 N THR A 20 -3.466 -6.677 -1.590 1.00 42.54 N ATOM 302 CA THR A 20 -4.485 -7.266 -2.449 1.00 60.30 C ATOM 303 C THR A 20 -5.100 -8.503 -1.803 1.00 41.41 C ATOM 304 O THR A 20 -4.387 -9.407 -1.365 1.00 40.42 O ATOM 305 CB THR A 20 -3.907 -7.653 -3.823 1.00 63.03 C ATOM 306 OG1 THR A 20 -2.759 -8.492 -3.653 1.00 60.24 O ATOM 307 CG2 THR A 20 -3.522 -6.413 -4.617 1.00 21.43 C ATOM 0 H THR A 20 -2.972 -7.347 -1.000 1.00 42.54 H new ATOM 0 HA THR A 20 -5.257 -6.509 -2.588 1.00 60.30 H new ATOM 0 HB THR A 20 -4.674 -8.195 -4.376 1.00 63.03 H new ATOM 0 HG1 THR A 20 -2.886 -9.065 -2.869 1.00 60.24 H new ATOM 0 HG21 THR A 20 -3.116 -6.711 -5.584 1.00 21.43 H new ATOM 0 HG22 THR A 20 -4.404 -5.791 -4.770 1.00 21.43 H new ATOM 0 HG23 THR A 20 -2.770 -5.848 -4.067 1.00 21.43 H new ATOM 315 N LEU A 21 -6.427 -8.537 -1.747 1.00 63.01 N ATOM 316 CA LEU A 21 -7.138 -9.664 -1.155 1.00 35.23 C ATOM 317 C LEU A 21 -8.356 -10.041 -1.993 1.00 64.13 C ATOM 318 O LEU A 21 -9.095 -9.174 -2.456 1.00 53.10 O ATOM 319 CB LEU A 21 -7.573 -9.325 0.272 1.00 32.32 C ATOM 320 CG LEU A 21 -8.231 -10.458 1.061 1.00 61.45 C ATOM 321 CD1 LEU A 21 -7.283 -10.989 2.125 1.00 44.05 C ATOM 322 CD2 LEU A 21 -9.532 -9.984 1.692 1.00 42.04 C ATOM 0 H LEU A 21 -7.032 -7.797 -2.104 1.00 63.01 H new ATOM 0 HA LEU A 21 -6.459 -10.517 -1.129 1.00 35.23 H new ATOM 0 HB2 LEU A 21 -6.698 -8.984 0.826 1.00 32.32 H new ATOM 0 HB3 LEU A 21 -8.269 -8.487 0.229 1.00 32.32 H new ATOM 0 HG LEU A 21 -8.460 -11.269 0.370 1.00 61.45 H new ATOM 0 HD11 LEU A 21 -7.769 -11.794 2.676 1.00 44.05 H new ATOM 0 HD12 LEU A 21 -6.378 -11.369 1.650 1.00 44.05 H new ATOM 0 HD13 LEU A 21 -7.021 -10.185 2.813 1.00 44.05 H new ATOM 0 HD21 LEU A 21 -9.986 -10.804 2.249 1.00 42.04 H new ATOM 0 HD22 LEU A 21 -9.327 -9.155 2.369 1.00 42.04 H new ATOM 0 HD23 LEU A 21 -10.216 -9.654 0.910 1.00 42.04 H new ATOM 334 N ASN A 22 -8.558 -11.341 -2.183 1.00 24.01 N ATOM 335 CA ASN A 22 -9.686 -11.833 -2.964 1.00 73.05 C ATOM 336 C ASN A 22 -10.950 -11.899 -2.112 1.00 72.44 C ATOM 337 O ASN A 22 -10.916 -12.347 -0.967 1.00 61.22 O ATOM 338 CB ASN A 22 -9.372 -13.216 -3.539 1.00 3.14 C ATOM 339 CG ASN A 22 -9.117 -13.177 -5.033 1.00 74.21 C ATOM 340 OD1 ASN A 22 -9.916 -12.633 -5.796 1.00 4.30 O ATOM 341 ND2 ASN A 22 -8.001 -13.757 -5.458 1.00 61.03 N ATOM 0 H ASN A 22 -7.955 -12.072 -1.807 1.00 24.01 H new ATOM 0 HA ASN A 22 -9.858 -11.137 -3.785 1.00 73.05 H new ATOM 0 HB2 ASN A 22 -8.497 -13.626 -3.035 1.00 3.14 H new ATOM 0 HB3 ASN A 22 -10.204 -13.890 -3.333 1.00 3.14 H new ATOM 0 HD21 ASN A 22 -7.777 -13.764 -6.453 1.00 61.03 H new ATOM 0 HD22 ASN A 22 -7.368 -14.196 -4.789 1.00 61.03 H new ATOM 348 N ASN A 23 -12.065 -11.451 -2.681 1.00 4.42 N ATOM 349 CA ASN A 23 -13.340 -11.459 -1.974 1.00 11.13 C ATOM 350 C ASN A 23 -13.207 -10.802 -0.603 1.00 44.12 C ATOM 351 O ASN A 23 -13.338 -11.447 0.437 1.00 5.23 O ATOM 352 CB ASN A 23 -13.851 -12.893 -1.817 1.00 3.42 C ATOM 353 CG ASN A 23 -15.354 -12.954 -1.627 1.00 0.54 C ATOM 354 OD1 ASN A 23 -16.092 -12.345 -2.548 1.00 24.01 O flip ATOM 355 ND2 ASN A 23 -15.846 -13.541 -0.663 1.00 2.02 N flip ATOM 0 H ASN A 23 -12.111 -11.078 -3.629 1.00 4.42 H new ATOM 0 HA ASN A 23 -14.057 -10.887 -2.563 1.00 11.13 H new ATOM 0 HB2 ASN A 23 -13.575 -13.472 -2.698 1.00 3.42 H new ATOM 0 HB3 ASN A 23 -13.360 -13.359 -0.962 1.00 3.42 H new ATOM 0 HD21 ASN A 23 -15.241 -13.995 0.021 1.00 2.02 H new ATOM 0 HD22 ASN A 23 -16.859 -13.573 -0.548 1.00 2.02 H new ATOM 362 N PRO A 24 -12.940 -9.487 -0.601 1.00 33.33 N ATOM 363 CA PRO A 24 -12.784 -8.714 0.635 1.00 54.54 C ATOM 364 C PRO A 24 -14.101 -8.548 1.385 1.00 55.32 C ATOM 365 O PRO A 24 -15.158 -8.385 0.775 1.00 51.23 O ATOM 366 CB PRO A 24 -12.275 -7.357 0.141 1.00 14.24 C ATOM 367 CG PRO A 24 -12.770 -7.253 -1.260 1.00 15.02 C ATOM 368 CD PRO A 24 -12.771 -8.655 -1.804 1.00 13.14 C ATOM 0 HA PRO A 24 -12.115 -9.205 1.342 1.00 54.54 H new ATOM 0 HB2 PRO A 24 -12.657 -6.543 0.757 1.00 14.24 H new ATOM 0 HB3 PRO A 24 -11.187 -7.304 0.181 1.00 14.24 H new ATOM 0 HG2 PRO A 24 -13.771 -6.822 -1.289 1.00 15.02 H new ATOM 0 HG3 PRO A 24 -12.126 -6.604 -1.854 1.00 15.02 H new ATOM 0 HD2 PRO A 24 -13.581 -8.809 -2.516 1.00 13.14 H new ATOM 0 HD3 PRO A 24 -11.841 -8.885 -2.324 1.00 13.14 H new ATOM 376 N SER A 25 -14.031 -8.590 2.712 1.00 41.35 N ATOM 377 CA SER A 25 -15.219 -8.447 3.545 1.00 21.31 C ATOM 378 C SER A 25 -15.438 -6.988 3.933 1.00 35.32 C ATOM 379 O SER A 25 -14.508 -6.184 3.914 1.00 41.53 O ATOM 380 CB SER A 25 -15.091 -9.308 4.803 1.00 1.05 C ATOM 381 OG SER A 25 -15.604 -10.611 4.585 1.00 51.43 O ATOM 0 H SER A 25 -13.164 -8.722 3.233 1.00 41.35 H new ATOM 0 HA SER A 25 -16.080 -8.784 2.968 1.00 21.31 H new ATOM 0 HB2 SER A 25 -14.044 -9.371 5.099 1.00 1.05 H new ATOM 0 HB3 SER A 25 -15.627 -8.836 5.626 1.00 1.05 H new ATOM 0 HG SER A 25 -15.509 -11.141 5.404 1.00 51.43 H new ATOM 387 N GLU A 26 -16.677 -6.656 4.285 1.00 25.04 N ATOM 388 CA GLU A 26 -17.019 -5.294 4.677 1.00 0.14 C ATOM 389 C GLU A 26 -16.195 -4.851 5.883 1.00 34.44 C ATOM 390 O GLU A 26 -15.901 -3.667 6.047 1.00 73.10 O ATOM 391 CB GLU A 26 -18.511 -5.192 5.000 1.00 72.20 C ATOM 392 CG GLU A 26 -18.892 -5.829 6.326 1.00 0.41 C ATOM 393 CD GLU A 26 -20.267 -6.467 6.293 1.00 22.52 C ATOM 394 OE1 GLU A 26 -21.255 -5.736 6.075 1.00 12.21 O ATOM 395 OE2 GLU A 26 -20.355 -7.698 6.486 1.00 64.12 O ATOM 0 H GLU A 26 -17.459 -7.311 4.307 1.00 25.04 H new ATOM 0 HA GLU A 26 -16.790 -4.634 3.840 1.00 0.14 H new ATOM 0 HB2 GLU A 26 -18.800 -4.141 5.015 1.00 72.20 H new ATOM 0 HB3 GLU A 26 -19.080 -5.667 4.201 1.00 72.20 H new ATOM 0 HG2 GLU A 26 -18.151 -6.584 6.588 1.00 0.41 H new ATOM 0 HG3 GLU A 26 -18.866 -5.072 7.109 1.00 0.41 H new ATOM 402 N ASP A 27 -15.827 -5.811 6.725 1.00 72.11 N ATOM 403 CA ASP A 27 -15.037 -5.522 7.916 1.00 12.21 C ATOM 404 C ASP A 27 -13.583 -5.241 7.549 1.00 14.10 C ATOM 405 O ASP A 27 -12.992 -4.269 8.018 1.00 52.12 O ATOM 406 CB ASP A 27 -15.111 -6.691 8.899 1.00 11.14 C ATOM 407 CG ASP A 27 -15.349 -6.234 10.325 1.00 21.13 C ATOM 408 OD1 ASP A 27 -14.895 -5.125 10.676 1.00 50.01 O ATOM 409 OD2 ASP A 27 -15.988 -6.986 11.091 1.00 71.01 O ATOM 0 H ASP A 27 -16.063 -6.796 6.605 1.00 72.11 H new ATOM 0 HA ASP A 27 -15.452 -4.632 8.390 1.00 12.21 H new ATOM 0 HB2 ASP A 27 -15.913 -7.365 8.598 1.00 11.14 H new ATOM 0 HB3 ASP A 27 -14.182 -7.260 8.853 1.00 11.14 H new ATOM 414 N GLU A 28 -13.014 -6.099 6.709 1.00 61.33 N ATOM 415 CA GLU A 28 -11.629 -5.943 6.281 1.00 64.50 C ATOM 416 C GLU A 28 -11.437 -4.632 5.524 1.00 20.15 C ATOM 417 O GLU A 28 -10.518 -3.865 5.814 1.00 74.15 O ATOM 418 CB GLU A 28 -11.209 -7.120 5.398 1.00 62.41 C ATOM 419 CG GLU A 28 -9.826 -7.661 5.721 1.00 32.34 C ATOM 420 CD GLU A 28 -8.804 -7.326 4.653 1.00 2.41 C ATOM 421 OE1 GLU A 28 -9.164 -7.354 3.458 1.00 75.43 O ATOM 422 OE2 GLU A 28 -7.644 -7.034 5.012 1.00 63.52 O ATOM 0 H GLU A 28 -13.490 -6.909 6.311 1.00 61.33 H new ATOM 0 HA GLU A 28 -11.001 -5.923 7.172 1.00 64.50 H new ATOM 0 HB2 GLU A 28 -11.938 -7.923 5.506 1.00 62.41 H new ATOM 0 HB3 GLU A 28 -11.233 -6.807 4.354 1.00 62.41 H new ATOM 0 HG2 GLU A 28 -9.495 -7.253 6.676 1.00 32.34 H new ATOM 0 HG3 GLU A 28 -9.882 -8.743 5.838 1.00 32.34 H new ATOM 429 N ARG A 29 -12.310 -4.382 4.554 1.00 32.53 N ATOM 430 CA ARG A 29 -12.237 -3.166 3.755 1.00 43.43 C ATOM 431 C ARG A 29 -12.382 -1.927 4.635 1.00 61.45 C ATOM 432 O ARG A 29 -11.784 -0.886 4.363 1.00 3.04 O ATOM 433 CB ARG A 29 -13.324 -3.170 2.679 1.00 74.40 C ATOM 434 CG ARG A 29 -12.977 -4.016 1.465 1.00 22.51 C ATOM 435 CD ARG A 29 -14.226 -4.487 0.737 1.00 15.43 C ATOM 436 NE ARG A 29 -15.151 -3.388 0.472 1.00 51.24 N ATOM 437 CZ ARG A 29 -16.444 -3.560 0.221 1.00 52.23 C ATOM 438 NH1 ARG A 29 -16.963 -4.780 0.202 1.00 43.11 N ATOM 439 NH2 ARG A 29 -17.222 -2.510 -0.011 1.00 44.25 N ATOM 0 H ARG A 29 -13.077 -5.006 4.303 1.00 32.53 H new ATOM 0 HA ARG A 29 -11.259 -3.137 3.274 1.00 43.43 H new ATOM 0 HB2 ARG A 29 -14.253 -3.538 3.114 1.00 74.40 H new ATOM 0 HB3 ARG A 29 -13.508 -2.145 2.356 1.00 74.40 H new ATOM 0 HG2 ARG A 29 -12.354 -3.437 0.783 1.00 22.51 H new ATOM 0 HG3 ARG A 29 -12.390 -4.879 1.778 1.00 22.51 H new ATOM 0 HD2 ARG A 29 -13.942 -4.957 -0.205 1.00 15.43 H new ATOM 0 HD3 ARG A 29 -14.728 -5.248 1.334 1.00 15.43 H new ATOM 0 HE ARG A 29 -14.784 -2.436 0.480 1.00 51.24 H new ATOM 0 HH11 ARG A 29 -16.369 -5.590 0.380 1.00 43.11 H new ATOM 0 HH12 ARG A 29 -17.956 -4.909 0.009 1.00 43.11 H new ATOM 0 HH21 ARG A 29 -16.827 -1.570 0.003 1.00 44.25 H new ATOM 0 HH22 ARG A 29 -18.215 -2.643 -0.204 1.00 44.25 H new ATOM 453 N LYS A 30 -13.181 -2.048 5.689 1.00 1.23 N ATOM 454 CA LYS A 30 -13.405 -0.940 6.610 1.00 12.13 C ATOM 455 C LYS A 30 -12.152 -0.653 7.432 1.00 53.14 C ATOM 456 O LYS A 30 -11.845 0.501 7.733 1.00 73.23 O ATOM 457 CB LYS A 30 -14.578 -1.254 7.542 1.00 1.21 C ATOM 458 CG LYS A 30 -15.907 -0.704 7.054 1.00 61.44 C ATOM 459 CD LYS A 30 -17.071 -1.269 7.851 1.00 3.21 C ATOM 460 CE LYS A 30 -18.355 -1.271 7.037 1.00 54.31 C ATOM 461 NZ LYS A 30 -19.555 -1.055 7.893 1.00 62.41 N ATOM 0 H LYS A 30 -13.685 -2.902 5.927 1.00 1.23 H new ATOM 0 HA LYS A 30 -13.643 -0.054 6.022 1.00 12.13 H new ATOM 0 HB2 LYS A 30 -14.661 -2.335 7.656 1.00 1.21 H new ATOM 0 HB3 LYS A 30 -14.366 -0.845 8.530 1.00 1.21 H new ATOM 0 HG2 LYS A 30 -15.903 0.383 7.134 1.00 61.44 H new ATOM 0 HG3 LYS A 30 -16.036 -0.945 5.999 1.00 61.44 H new ATOM 0 HD2 LYS A 30 -16.838 -2.286 8.167 1.00 3.21 H new ATOM 0 HD3 LYS A 30 -17.214 -0.679 8.756 1.00 3.21 H new ATOM 0 HE2 LYS A 30 -18.305 -0.490 6.278 1.00 54.31 H new ATOM 0 HE3 LYS A 30 -18.450 -2.221 6.511 1.00 54.31 H new ATOM 0 HZ1 LYS A 30 -20.410 -1.063 7.301 1.00 62.41 H new ATOM 0 HZ2 LYS A 30 -19.617 -1.814 8.601 1.00 62.41 H new ATOM 0 HZ3 LYS A 30 -19.477 -0.137 8.375 1.00 62.41 H new ATOM 475 N LYS A 31 -11.431 -1.709 7.790 1.00 23.43 N ATOM 476 CA LYS A 31 -10.209 -1.572 8.574 1.00 11.33 C ATOM 477 C LYS A 31 -9.153 -0.788 7.802 1.00 4.34 C ATOM 478 O LYS A 31 -8.546 0.143 8.333 1.00 21.04 O ATOM 479 CB LYS A 31 -9.662 -2.950 8.951 1.00 33.41 C ATOM 480 CG LYS A 31 -8.267 -2.908 9.551 1.00 73.54 C ATOM 481 CD LYS A 31 -7.769 -4.301 9.900 1.00 5.42 C ATOM 482 CE LYS A 31 -6.272 -4.433 9.660 1.00 34.04 C ATOM 483 NZ LYS A 31 -5.479 -3.695 10.682 1.00 34.03 N ATOM 0 H LYS A 31 -11.672 -2.671 7.550 1.00 23.43 H new ATOM 0 HA LYS A 31 -10.451 -1.023 9.484 1.00 11.33 H new ATOM 0 HB2 LYS A 31 -10.341 -3.418 9.664 1.00 33.41 H new ATOM 0 HB3 LYS A 31 -9.647 -3.581 8.062 1.00 33.41 H new ATOM 0 HG2 LYS A 31 -7.580 -2.441 8.845 1.00 73.54 H new ATOM 0 HG3 LYS A 31 -8.274 -2.288 10.447 1.00 73.54 H new ATOM 0 HD2 LYS A 31 -7.992 -4.517 10.945 1.00 5.42 H new ATOM 0 HD3 LYS A 31 -8.301 -5.040 9.301 1.00 5.42 H new ATOM 0 HE2 LYS A 31 -5.993 -5.487 9.675 1.00 34.04 H new ATOM 0 HE3 LYS A 31 -6.028 -4.053 8.668 1.00 34.04 H new ATOM 0 HZ1 LYS A 31 -4.564 -3.414 10.275 1.00 34.03 H new ATOM 0 HZ2 LYS A 31 -6.001 -2.846 10.980 1.00 34.03 H new ATOM 0 HZ3 LYS A 31 -5.318 -4.309 11.506 1.00 34.03 H new ATOM 497 N ILE A 32 -8.939 -1.169 6.548 1.00 40.15 N ATOM 498 CA ILE A 32 -7.958 -0.499 5.703 1.00 62.42 C ATOM 499 C ILE A 32 -8.454 0.875 5.267 1.00 73.12 C ATOM 500 O ILE A 32 -7.672 1.817 5.139 1.00 11.02 O ATOM 501 CB ILE A 32 -7.629 -1.335 4.451 1.00 2.35 C ATOM 502 CG1 ILE A 32 -7.474 -2.811 4.823 1.00 5.22 C ATOM 503 CG2 ILE A 32 -6.364 -0.815 3.785 1.00 2.21 C ATOM 504 CD1 ILE A 32 -7.066 -3.687 3.660 1.00 74.44 C ATOM 0 H ILE A 32 -9.432 -1.938 6.094 1.00 40.15 H new ATOM 0 HA ILE A 32 -7.054 -0.383 6.301 1.00 62.42 H new ATOM 0 HB ILE A 32 -8.453 -1.243 3.743 1.00 2.35 H new ATOM 0 HG12 ILE A 32 -6.730 -2.902 5.614 1.00 5.22 H new ATOM 0 HG13 ILE A 32 -8.417 -3.176 5.229 1.00 5.22 H new ATOM 0 HG21 ILE A 32 -6.144 -1.415 2.902 1.00 2.21 H new ATOM 0 HG22 ILE A 32 -6.509 0.224 3.490 1.00 2.21 H new ATOM 0 HG23 ILE A 32 -5.531 -0.881 4.485 1.00 2.21 H new ATOM 0 HD11 ILE A 32 -6.975 -4.720 3.997 1.00 74.44 H new ATOM 0 HD12 ILE A 32 -7.821 -3.626 2.876 1.00 74.44 H new ATOM 0 HD13 ILE A 32 -6.107 -3.348 3.268 1.00 74.44 H new ATOM 516 N ARG A 33 -9.760 0.982 5.041 1.00 4.33 N ATOM 517 CA ARG A 33 -10.361 2.242 4.620 1.00 31.12 C ATOM 518 C ARG A 33 -10.437 3.224 5.785 1.00 13.24 C ATOM 519 O ARG A 33 -10.545 4.434 5.584 1.00 11.02 O ATOM 520 CB ARG A 33 -11.760 1.999 4.052 1.00 34.50 C ATOM 521 CG ARG A 33 -12.416 3.250 3.492 1.00 74.12 C ATOM 522 CD ARG A 33 -13.728 3.555 4.198 1.00 1.44 C ATOM 523 NE ARG A 33 -13.516 4.212 5.486 1.00 51.04 N ATOM 524 CZ ARG A 33 -14.490 4.455 6.356 1.00 40.24 C ATOM 525 NH1 ARG A 33 -15.736 4.097 6.078 1.00 51.30 N ATOM 526 NH2 ARG A 33 -14.218 5.057 7.507 1.00 71.05 N ATOM 0 H ARG A 33 -10.421 0.212 5.142 1.00 4.33 H new ATOM 0 HA ARG A 33 -9.731 2.675 3.843 1.00 31.12 H new ATOM 0 HB2 ARG A 33 -11.698 1.248 3.264 1.00 34.50 H new ATOM 0 HB3 ARG A 33 -12.395 1.586 4.836 1.00 34.50 H new ATOM 0 HG2 ARG A 33 -11.738 4.097 3.600 1.00 74.12 H new ATOM 0 HG3 ARG A 33 -12.597 3.121 2.425 1.00 74.12 H new ATOM 0 HD2 ARG A 33 -14.342 4.193 3.562 1.00 1.44 H new ATOM 0 HD3 ARG A 33 -14.282 2.629 4.350 1.00 1.44 H new ATOM 0 HE ARG A 33 -12.568 4.500 5.730 1.00 51.04 H new ATOM 0 HH11 ARG A 33 -15.948 3.634 5.194 1.00 51.30 H new ATOM 0 HH12 ARG A 33 -16.482 4.285 6.748 1.00 51.30 H new ATOM 0 HH21 ARG A 33 -13.260 5.333 7.724 1.00 71.05 H new ATOM 0 HH22 ARG A 33 -14.966 5.243 8.174 1.00 71.05 H new ATOM 540 N ASP A 34 -10.381 2.696 7.003 1.00 71.53 N ATOM 541 CA ASP A 34 -10.443 3.525 8.200 1.00 12.33 C ATOM 542 C ASP A 34 -9.049 3.751 8.778 1.00 54.12 C ATOM 543 O ASP A 34 -8.900 4.297 9.872 1.00 40.54 O ATOM 544 CB ASP A 34 -11.345 2.875 9.251 1.00 40.32 C ATOM 545 CG ASP A 34 -11.705 3.828 10.374 1.00 24.43 C ATOM 546 OD1 ASP A 34 -12.302 4.886 10.087 1.00 43.31 O ATOM 547 OD2 ASP A 34 -11.390 3.514 11.541 1.00 23.21 O ATOM 0 H ASP A 34 -10.293 1.697 7.187 1.00 71.53 H new ATOM 0 HA ASP A 34 -10.862 4.492 7.921 1.00 12.33 H new ATOM 0 HB2 ASP A 34 -12.258 2.520 8.773 1.00 40.32 H new ATOM 0 HB3 ASP A 34 -10.843 2.001 9.667 1.00 40.32 H new ATOM 552 N LEU A 35 -8.032 3.326 8.037 1.00 41.40 N ATOM 553 CA LEU A 35 -6.649 3.481 8.476 1.00 52.14 C ATOM 554 C LEU A 35 -6.281 4.956 8.605 1.00 23.52 C ATOM 555 O LEU A 35 -6.928 5.835 8.036 1.00 62.20 O ATOM 556 CB LEU A 35 -5.701 2.791 7.493 1.00 55.33 C ATOM 557 CG LEU A 35 -5.489 1.292 7.705 1.00 73.01 C ATOM 558 CD1 LEU A 35 -4.703 0.695 6.548 1.00 1.21 C ATOM 559 CD2 LEU A 35 -4.777 1.036 9.025 1.00 61.30 C ATOM 0 H LEU A 35 -8.138 2.872 7.130 1.00 41.40 H new ATOM 0 HA LEU A 35 -6.550 3.014 9.456 1.00 52.14 H new ATOM 0 HB2 LEU A 35 -6.082 2.944 6.483 1.00 55.33 H new ATOM 0 HB3 LEU A 35 -4.731 3.286 7.546 1.00 55.33 H new ATOM 0 HG LEU A 35 -6.465 0.808 7.742 1.00 73.01 H new ATOM 0 HD11 LEU A 35 -4.562 -0.373 6.716 1.00 1.21 H new ATOM 0 HD12 LEU A 35 -5.252 0.846 5.619 1.00 1.21 H new ATOM 0 HD13 LEU A 35 -3.731 1.183 6.478 1.00 1.21 H new ATOM 0 HD21 LEU A 35 -4.634 -0.036 9.160 1.00 61.30 H new ATOM 0 HD22 LEU A 35 -3.807 1.533 9.018 1.00 61.30 H new ATOM 0 HD23 LEU A 35 -5.379 1.428 9.845 1.00 61.30 H new ATOM 571 N PRO A 36 -5.215 5.234 9.370 1.00 2.41 N ATOM 572 CA PRO A 36 -4.734 6.602 9.590 1.00 32.31 C ATOM 573 C PRO A 36 -4.115 7.207 8.335 1.00 1.42 C ATOM 574 O PRO A 36 -3.136 6.685 7.801 1.00 40.30 O ATOM 575 CB PRO A 36 -3.674 6.434 10.682 1.00 74.12 C ATOM 576 CG PRO A 36 -3.204 5.028 10.540 1.00 63.43 C ATOM 577 CD PRO A 36 -4.396 4.236 10.079 1.00 53.23 C ATOM 0 HA PRO A 36 -5.543 7.280 9.863 1.00 32.31 H new ATOM 0 HB2 PRO A 36 -2.855 7.141 10.550 1.00 74.12 H new ATOM 0 HB3 PRO A 36 -4.094 6.613 11.672 1.00 74.12 H new ATOM 0 HG2 PRO A 36 -2.389 4.960 9.820 1.00 63.43 H new ATOM 0 HG3 PRO A 36 -2.825 4.646 11.488 1.00 63.43 H new ATOM 0 HD2 PRO A 36 -4.104 3.416 9.423 1.00 53.23 H new ATOM 0 HD3 PRO A 36 -4.935 3.796 10.918 1.00 53.23 H new ATOM 585 N ILE A 37 -4.691 8.311 7.870 1.00 20.32 N ATOM 586 CA ILE A 37 -4.194 8.988 6.679 1.00 63.41 C ATOM 587 C ILE A 37 -2.852 9.661 6.949 1.00 73.34 C ATOM 588 O ILE A 37 -1.998 9.742 6.066 1.00 55.43 O ATOM 589 CB ILE A 37 -5.193 10.045 6.173 1.00 33.44 C ATOM 590 CG1 ILE A 37 -5.641 10.947 7.325 1.00 32.43 C ATOM 591 CG2 ILE A 37 -6.393 9.371 5.523 1.00 2.35 C ATOM 592 CD1 ILE A 37 -6.446 12.146 6.876 1.00 41.11 C ATOM 0 H ILE A 37 -5.502 8.755 8.300 1.00 20.32 H new ATOM 0 HA ILE A 37 -4.067 8.224 5.912 1.00 63.41 H new ATOM 0 HB ILE A 37 -4.698 10.663 5.424 1.00 33.44 H new ATOM 0 HG12 ILE A 37 -6.237 10.361 8.024 1.00 32.43 H new ATOM 0 HG13 ILE A 37 -4.761 11.293 7.868 1.00 32.43 H new ATOM 0 HG21 ILE A 37 -7.090 10.131 5.170 1.00 2.35 H new ATOM 0 HG22 ILE A 37 -6.058 8.766 4.680 1.00 2.35 H new ATOM 0 HG23 ILE A 37 -6.891 8.732 6.253 1.00 2.35 H new ATOM 0 HD11 ILE A 37 -6.729 12.740 7.745 1.00 41.11 H new ATOM 0 HD12 ILE A 37 -5.846 12.755 6.200 1.00 41.11 H new ATOM 0 HD13 ILE A 37 -7.344 11.808 6.359 1.00 41.11 H new ATOM 604 N SER A 38 -2.673 10.140 8.175 1.00 1.13 N ATOM 605 CA SER A 38 -1.436 10.808 8.562 1.00 43.13 C ATOM 606 C SER A 38 -0.275 9.819 8.606 1.00 32.33 C ATOM 607 O SER A 38 0.892 10.212 8.592 1.00 61.34 O ATOM 608 CB SER A 38 -1.599 11.482 9.926 1.00 73.44 C ATOM 609 OG SER A 38 -1.153 10.634 10.970 1.00 45.13 O ATOM 0 H SER A 38 -3.369 10.078 8.918 1.00 1.13 H new ATOM 0 HA SER A 38 -1.214 11.569 7.814 1.00 43.13 H new ATOM 0 HB2 SER A 38 -1.035 12.414 9.944 1.00 73.44 H new ATOM 0 HB3 SER A 38 -2.646 11.740 10.085 1.00 73.44 H new ATOM 0 HG SER A 38 -1.266 11.088 11.831 1.00 45.13 H new ATOM 615 N LEU A 39 -0.604 8.533 8.661 1.00 33.10 N ATOM 616 CA LEU A 39 0.410 7.485 8.708 1.00 75.01 C ATOM 617 C LEU A 39 1.022 7.258 7.330 1.00 42.04 C ATOM 618 O LEU A 39 2.176 6.843 7.212 1.00 55.51 O ATOM 619 CB LEU A 39 -0.199 6.182 9.229 1.00 73.12 C ATOM 620 CG LEU A 39 0.698 5.336 10.133 1.00 63.15 C ATOM 621 CD1 LEU A 39 -0.111 4.723 11.265 1.00 64.30 C ATOM 622 CD2 LEU A 39 1.397 4.251 9.326 1.00 50.34 C ATOM 0 H LEU A 39 -1.565 8.191 8.674 1.00 33.10 H new ATOM 0 HA LEU A 39 1.199 7.807 9.387 1.00 75.01 H new ATOM 0 HB2 LEU A 39 -1.109 6.424 9.778 1.00 73.12 H new ATOM 0 HB3 LEU A 39 -0.494 5.575 8.373 1.00 73.12 H new ATOM 0 HG LEU A 39 1.459 5.985 10.568 1.00 63.15 H new ATOM 0 HD11 LEU A 39 0.544 4.124 11.898 1.00 64.30 H new ATOM 0 HD12 LEU A 39 -0.564 5.516 11.859 1.00 64.30 H new ATOM 0 HD13 LEU A 39 -0.894 4.088 10.850 1.00 64.30 H new ATOM 0 HD21 LEU A 39 2.031 3.659 9.986 1.00 50.34 H new ATOM 0 HD22 LEU A 39 0.651 3.605 8.863 1.00 50.34 H new ATOM 0 HD23 LEU A 39 2.010 4.712 8.551 1.00 50.34 H new ATOM 634 N PHE A 40 0.243 7.534 6.289 1.00 44.42 N ATOM 635 CA PHE A 40 0.710 7.362 4.918 1.00 74.41 C ATOM 636 C PHE A 40 0.548 8.653 4.122 1.00 41.33 C ATOM 637 O PHE A 40 -0.563 9.157 3.954 1.00 4.23 O ATOM 638 CB PHE A 40 -0.059 6.229 4.234 1.00 24.55 C ATOM 639 CG PHE A 40 -0.319 5.053 5.133 1.00 3.41 C ATOM 640 CD1 PHE A 40 -1.442 5.019 5.943 1.00 14.20 C ATOM 641 CD2 PHE A 40 0.560 3.983 5.167 1.00 21.24 C ATOM 642 CE1 PHE A 40 -1.684 3.939 6.771 1.00 5.53 C ATOM 643 CE2 PHE A 40 0.324 2.900 5.993 1.00 30.05 C ATOM 644 CZ PHE A 40 -0.800 2.878 6.796 1.00 40.03 C ATOM 0 H PHE A 40 -0.714 7.878 6.369 1.00 44.42 H new ATOM 0 HA PHE A 40 1.769 7.106 4.951 1.00 74.41 H new ATOM 0 HB2 PHE A 40 -1.011 6.615 3.869 1.00 24.55 H new ATOM 0 HB3 PHE A 40 0.503 5.893 3.363 1.00 24.55 H new ATOM 0 HD1 PHE A 40 -2.137 5.846 5.927 1.00 14.20 H new ATOM 0 HD2 PHE A 40 1.440 3.995 4.541 1.00 21.24 H new ATOM 0 HE1 PHE A 40 -2.563 3.925 7.398 1.00 5.53 H new ATOM 0 HE2 PHE A 40 1.017 2.072 6.011 1.00 30.05 H new ATOM 0 HZ PHE A 40 -0.987 2.033 7.442 1.00 40.03 H new ATOM 654 N ASP A 41 1.664 9.184 3.634 1.00 61.31 N ATOM 655 CA ASP A 41 1.648 10.416 2.855 1.00 52.33 C ATOM 656 C ASP A 41 0.696 10.297 1.668 1.00 23.43 C ATOM 657 O ASP A 41 0.178 11.297 1.172 1.00 41.12 O ATOM 658 CB ASP A 41 3.056 10.753 2.363 1.00 64.52 C ATOM 659 CG ASP A 41 3.272 12.244 2.201 1.00 44.31 C ATOM 660 OD1 ASP A 41 2.435 12.897 1.543 1.00 23.41 O ATOM 661 OD2 ASP A 41 4.279 12.759 2.731 1.00 1.53 O ATOM 0 H ASP A 41 2.591 8.780 3.764 1.00 61.31 H new ATOM 0 HA ASP A 41 1.296 11.220 3.501 1.00 52.33 H new ATOM 0 HB2 ASP A 41 3.788 10.357 3.067 1.00 64.52 H new ATOM 0 HB3 ASP A 41 3.232 10.258 1.408 1.00 64.52 H new ATOM 666 N TYR A 42 0.472 9.067 1.218 1.00 1.21 N ATOM 667 CA TYR A 42 -0.414 8.817 0.088 1.00 71.14 C ATOM 668 C TYR A 42 -1.149 7.491 0.255 1.00 71.52 C ATOM 669 O TYR A 42 -0.529 6.439 0.414 1.00 5.24 O ATOM 670 CB TYR A 42 0.381 8.811 -1.219 1.00 40.01 C ATOM 671 CG TYR A 42 -0.460 8.508 -2.438 1.00 71.13 C ATOM 672 CD1 TYR A 42 -1.723 9.066 -2.591 1.00 54.11 C ATOM 673 CD2 TYR A 42 0.008 7.663 -3.437 1.00 34.31 C ATOM 674 CE1 TYR A 42 -2.496 8.792 -3.703 1.00 60.50 C ATOM 675 CE2 TYR A 42 -0.757 7.384 -4.553 1.00 34.32 C ATOM 676 CZ TYR A 42 -2.008 7.950 -4.681 1.00 54.23 C ATOM 677 OH TYR A 42 -2.774 7.674 -5.791 1.00 30.43 O ATOM 0 H TYR A 42 0.892 8.228 1.619 1.00 1.21 H new ATOM 0 HA TYR A 42 -1.152 9.619 0.053 1.00 71.14 H new ATOM 0 HB2 TYR A 42 0.857 9.783 -1.349 1.00 40.01 H new ATOM 0 HB3 TYR A 42 1.179 8.072 -1.146 1.00 40.01 H new ATOM 0 HD1 TYR A 42 -2.107 9.726 -1.827 1.00 54.11 H new ATOM 0 HD2 TYR A 42 0.987 7.217 -3.339 1.00 34.31 H new ATOM 0 HE1 TYR A 42 -3.476 9.234 -3.806 1.00 60.50 H new ATOM 0 HE2 TYR A 42 -0.377 6.726 -5.321 1.00 34.32 H new ATOM 0 HH TYR A 42 -3.723 7.763 -5.564 1.00 30.43 H new ATOM 687 N PHE A 43 -2.476 7.548 0.216 1.00 12.13 N ATOM 688 CA PHE A 43 -3.298 6.352 0.364 1.00 41.54 C ATOM 689 C PHE A 43 -4.393 6.311 -0.698 1.00 51.01 C ATOM 690 O PHE A 43 -5.272 7.173 -0.732 1.00 60.12 O ATOM 691 CB PHE A 43 -3.923 6.306 1.759 1.00 0.34 C ATOM 692 CG PHE A 43 -4.006 4.921 2.334 1.00 61.25 C ATOM 693 CD1 PHE A 43 -4.054 3.814 1.502 1.00 72.31 C ATOM 694 CD2 PHE A 43 -4.036 4.726 3.705 1.00 31.30 C ATOM 695 CE1 PHE A 43 -4.130 2.537 2.027 1.00 52.31 C ATOM 696 CE2 PHE A 43 -4.112 3.452 4.236 1.00 65.23 C ATOM 697 CZ PHE A 43 -4.160 2.356 3.396 1.00 41.42 C ATOM 0 H PHE A 43 -3.005 8.410 0.083 1.00 12.13 H new ATOM 0 HA PHE A 43 -2.656 5.481 0.233 1.00 41.54 H new ATOM 0 HB2 PHE A 43 -3.339 6.935 2.431 1.00 0.34 H new ATOM 0 HB3 PHE A 43 -4.925 6.732 1.714 1.00 0.34 H new ATOM 0 HD1 PHE A 43 -4.032 3.950 0.431 1.00 72.31 H new ATOM 0 HD2 PHE A 43 -4.000 5.579 4.367 1.00 31.30 H new ATOM 0 HE1 PHE A 43 -4.166 1.682 1.368 1.00 52.31 H new ATOM 0 HE2 PHE A 43 -4.134 3.313 5.307 1.00 65.23 H new ATOM 0 HZ PHE A 43 -4.221 1.360 3.809 1.00 41.42 H new ATOM 707 N ILE A 44 -4.333 5.304 -1.563 1.00 23.13 N ATOM 708 CA ILE A 44 -5.319 5.150 -2.625 1.00 21.51 C ATOM 709 C ILE A 44 -5.760 3.696 -2.759 1.00 23.13 C ATOM 710 O ILE A 44 -4.955 2.818 -3.070 1.00 22.23 O ATOM 711 CB ILE A 44 -4.768 5.634 -3.979 1.00 71.11 C ATOM 712 CG1 ILE A 44 -5.678 5.172 -5.119 1.00 53.31 C ATOM 713 CG2 ILE A 44 -3.350 5.124 -4.187 1.00 2.20 C ATOM 714 CD1 ILE A 44 -5.849 6.204 -6.212 1.00 11.43 C ATOM 0 H ILE A 44 -3.612 4.583 -1.549 1.00 23.13 H new ATOM 0 HA ILE A 44 -6.177 5.764 -2.351 1.00 21.51 H new ATOM 0 HB ILE A 44 -4.745 6.724 -3.976 1.00 71.11 H new ATOM 0 HG12 ILE A 44 -5.269 4.260 -5.553 1.00 53.31 H new ATOM 0 HG13 ILE A 44 -6.657 4.920 -4.712 1.00 53.31 H new ATOM 0 HG21 ILE A 44 -2.975 5.475 -5.148 1.00 2.20 H new ATOM 0 HG22 ILE A 44 -2.708 5.497 -3.389 1.00 2.20 H new ATOM 0 HG23 ILE A 44 -3.350 4.034 -4.173 1.00 2.20 H new ATOM 0 HD11 ILE A 44 -6.506 5.808 -6.986 1.00 11.43 H new ATOM 0 HD12 ILE A 44 -6.287 7.109 -5.792 1.00 11.43 H new ATOM 0 HD13 ILE A 44 -4.877 6.439 -6.646 1.00 11.43 H new ATOM 726 N VAL A 45 -7.044 3.449 -2.523 1.00 74.32 N ATOM 727 CA VAL A 45 -7.594 2.102 -2.620 1.00 71.21 C ATOM 728 C VAL A 45 -8.717 2.039 -3.649 1.00 50.33 C ATOM 729 O VAL A 45 -9.398 3.032 -3.901 1.00 53.13 O ATOM 730 CB VAL A 45 -8.131 1.615 -1.261 1.00 3.42 C ATOM 731 CG1 VAL A 45 -8.302 0.104 -1.264 1.00 52.01 C ATOM 732 CG2 VAL A 45 -7.205 2.053 -0.136 1.00 31.23 C ATOM 0 H VAL A 45 -7.723 4.164 -2.263 1.00 74.32 H new ATOM 0 HA VAL A 45 -6.779 1.450 -2.935 1.00 71.21 H new ATOM 0 HB VAL A 45 -9.109 2.066 -1.093 1.00 3.42 H new ATOM 0 HG11 VAL A 45 -8.682 -0.221 -0.296 1.00 52.01 H new ATOM 0 HG12 VAL A 45 -9.007 -0.181 -2.045 1.00 52.01 H new ATOM 0 HG13 VAL A 45 -7.339 -0.371 -1.454 1.00 52.01 H new ATOM 0 HG21 VAL A 45 -7.599 1.701 0.817 1.00 31.23 H new ATOM 0 HG22 VAL A 45 -6.213 1.632 -0.297 1.00 31.23 H new ATOM 0 HG23 VAL A 45 -7.139 3.141 -0.122 1.00 31.23 H new ATOM 742 N GLY A 46 -8.905 0.864 -4.242 1.00 21.22 N ATOM 743 CA GLY A 46 -9.947 0.693 -5.237 1.00 71.21 C ATOM 744 C GLY A 46 -10.541 -0.702 -5.221 1.00 12.41 C ATOM 745 O GLY A 46 -9.845 -1.676 -4.940 1.00 25.11 O ATOM 0 H GLY A 46 -8.354 0.027 -4.051 1.00 21.22 H new ATOM 0 HA2 GLY A 46 -10.737 1.423 -5.060 1.00 71.21 H new ATOM 0 HA3 GLY A 46 -9.538 0.899 -6.226 1.00 71.21 H new ATOM 749 N GLU A 47 -11.833 -0.797 -5.522 1.00 3.44 N ATOM 750 CA GLU A 47 -12.520 -2.083 -5.538 1.00 0.54 C ATOM 751 C GLU A 47 -12.590 -2.644 -6.955 1.00 34.23 C ATOM 752 O GLU A 47 -12.924 -1.930 -7.900 1.00 30.32 O ATOM 753 CB GLU A 47 -13.931 -1.939 -4.963 1.00 40.14 C ATOM 754 CG GLU A 47 -14.359 -3.113 -4.099 1.00 3.01 C ATOM 755 CD GLU A 47 -13.476 -3.291 -2.879 1.00 32.03 C ATOM 756 OE1 GLU A 47 -12.900 -2.286 -2.412 1.00 52.22 O ATOM 757 OE2 GLU A 47 -13.361 -4.435 -2.391 1.00 12.43 O ATOM 0 H GLU A 47 -12.424 0.000 -5.758 1.00 3.44 H new ATOM 0 HA GLU A 47 -11.953 -2.778 -4.919 1.00 0.54 H new ATOM 0 HB2 GLU A 47 -13.981 -1.025 -4.371 1.00 40.14 H new ATOM 0 HB3 GLU A 47 -14.639 -1.826 -5.784 1.00 40.14 H new ATOM 0 HG2 GLU A 47 -15.390 -2.966 -3.778 1.00 3.01 H new ATOM 0 HG3 GLU A 47 -14.337 -4.025 -4.695 1.00 3.01 H new ATOM 764 N GLU A 48 -12.273 -3.928 -7.093 1.00 11.32 N ATOM 765 CA GLU A 48 -12.299 -4.585 -8.394 1.00 51.44 C ATOM 766 C GLU A 48 -13.564 -5.423 -8.556 1.00 1.04 C ATOM 767 O GLU A 48 -13.909 -6.219 -7.684 1.00 15.14 O ATOM 768 CB GLU A 48 -11.062 -5.469 -8.569 1.00 54.52 C ATOM 769 CG GLU A 48 -10.639 -5.643 -10.018 1.00 4.32 C ATOM 770 CD GLU A 48 -11.069 -6.977 -10.595 1.00 63.31 C ATOM 771 OE1 GLU A 48 -10.853 -8.010 -9.928 1.00 32.34 O ATOM 772 OE2 GLU A 48 -11.622 -6.988 -11.715 1.00 65.00 O ATOM 0 H GLU A 48 -11.995 -4.533 -6.320 1.00 11.32 H new ATOM 0 HA GLU A 48 -12.296 -3.812 -9.162 1.00 51.44 H new ATOM 0 HB2 GLU A 48 -10.234 -5.037 -8.007 1.00 54.52 H new ATOM 0 HB3 GLU A 48 -11.262 -6.450 -8.137 1.00 54.52 H new ATOM 0 HG2 GLU A 48 -11.066 -4.838 -10.616 1.00 4.32 H new ATOM 0 HG3 GLU A 48 -9.555 -5.553 -10.089 1.00 4.32 H new ATOM 779 N GLY A 49 -14.251 -5.237 -9.679 1.00 13.14 N ATOM 780 CA GLY A 49 -15.470 -5.982 -9.934 1.00 53.32 C ATOM 781 C GLY A 49 -15.779 -6.098 -11.414 1.00 30.34 C ATOM 782 O GLY A 49 -16.605 -5.356 -11.942 1.00 74.12 O ATOM 0 H GLY A 49 -13.985 -4.584 -10.416 1.00 13.14 H new ATOM 0 HA2 GLY A 49 -15.379 -6.980 -9.506 1.00 53.32 H new ATOM 0 HA3 GLY A 49 -16.303 -5.493 -9.429 1.00 53.32 H new ATOM 786 N ASN A 50 -15.112 -7.032 -12.084 1.00 62.10 N ATOM 787 CA ASN A 50 -15.318 -7.242 -13.513 1.00 1.45 C ATOM 788 C ASN A 50 -16.765 -7.627 -13.803 1.00 13.14 C ATOM 789 O ASN A 50 -17.622 -7.568 -12.921 1.00 43.20 O ATOM 790 CB ASN A 50 -14.375 -8.330 -14.031 1.00 11.53 C ATOM 791 CG ASN A 50 -13.612 -7.893 -15.266 1.00 43.41 C ATOM 792 OD1 ASN A 50 -13.913 -8.322 -16.380 1.00 22.42 O ATOM 793 ND2 ASN A 50 -12.617 -7.034 -15.074 1.00 12.10 N ATOM 0 H ASN A 50 -14.424 -7.655 -11.661 1.00 62.10 H new ATOM 0 HA ASN A 50 -15.100 -6.306 -14.028 1.00 1.45 H new ATOM 0 HB2 ASN A 50 -13.668 -8.598 -13.246 1.00 11.53 H new ATOM 0 HB3 ASN A 50 -14.951 -9.227 -14.261 1.00 11.53 H new ATOM 0 HD21 ASN A 50 -12.068 -6.704 -15.868 1.00 12.10 H new ATOM 0 HD22 ASN A 50 -12.402 -6.704 -14.133 1.00 12.10 H new ATOM 800 N GLU A 51 -17.029 -8.022 -15.044 1.00 54.01 N ATOM 801 CA GLU A 51 -18.373 -8.417 -15.450 1.00 13.22 C ATOM 802 C GLU A 51 -18.926 -9.497 -14.524 1.00 64.14 C ATOM 803 O GLU A 51 -18.211 -10.023 -13.672 1.00 64.02 O ATOM 804 CB GLU A 51 -18.366 -8.922 -16.894 1.00 53.32 C ATOM 805 CG GLU A 51 -17.385 -10.056 -17.138 1.00 10.12 C ATOM 806 CD GLU A 51 -17.000 -10.190 -18.598 1.00 64.41 C ATOM 807 OE1 GLU A 51 -17.859 -10.605 -19.403 1.00 70.14 O ATOM 808 OE2 GLU A 51 -15.838 -9.880 -18.935 1.00 63.34 O ATOM 0 H GLU A 51 -16.331 -8.077 -15.786 1.00 54.01 H new ATOM 0 HA GLU A 51 -19.017 -7.540 -15.383 1.00 13.22 H new ATOM 0 HB2 GLU A 51 -19.369 -9.258 -17.157 1.00 53.32 H new ATOM 0 HB3 GLU A 51 -18.123 -8.093 -17.559 1.00 53.32 H new ATOM 0 HG2 GLU A 51 -16.487 -9.889 -16.543 1.00 10.12 H new ATOM 0 HG3 GLU A 51 -17.825 -10.992 -16.795 1.00 10.12 H new ATOM 815 N GLU A 52 -20.203 -9.822 -14.699 1.00 42.34 N ATOM 816 CA GLU A 52 -20.851 -10.838 -13.879 1.00 73.02 C ATOM 817 C GLU A 52 -20.050 -12.136 -13.887 1.00 24.51 C ATOM 818 O GLU A 52 -19.306 -12.414 -14.827 1.00 73.20 O ATOM 819 CB GLU A 52 -22.273 -11.100 -14.382 1.00 25.32 C ATOM 820 CG GLU A 52 -23.212 -11.621 -13.307 1.00 22.30 C ATOM 821 CD GLU A 52 -24.350 -10.664 -13.013 1.00 75.03 C ATOM 822 OE1 GLU A 52 -25.002 -10.203 -13.974 1.00 22.41 O ATOM 823 OE2 GLU A 52 -24.590 -10.376 -11.822 1.00 11.11 O ATOM 0 H GLU A 52 -20.809 -9.397 -15.401 1.00 42.34 H new ATOM 0 HA GLU A 52 -20.898 -10.467 -12.855 1.00 73.02 H new ATOM 0 HB2 GLU A 52 -22.681 -10.176 -14.792 1.00 25.32 H new ATOM 0 HB3 GLU A 52 -22.234 -11.821 -15.199 1.00 25.32 H new ATOM 0 HG2 GLU A 52 -23.622 -12.581 -13.622 1.00 22.30 H new ATOM 0 HG3 GLU A 52 -22.647 -11.800 -12.392 1.00 22.30 H new ATOM 830 N GLY A 53 -20.206 -12.928 -12.830 1.00 74.54 N ATOM 831 CA GLY A 53 -19.491 -14.187 -12.734 1.00 71.54 C ATOM 832 C GLY A 53 -18.183 -14.055 -11.980 1.00 32.02 C ATOM 833 O GLY A 53 -17.685 -15.028 -11.413 1.00 44.40 O ATOM 0 H GLY A 53 -20.815 -12.720 -12.039 1.00 74.54 H new ATOM 0 HA2 GLY A 53 -20.122 -14.922 -12.235 1.00 71.54 H new ATOM 0 HA3 GLY A 53 -19.292 -14.566 -13.737 1.00 71.54 H new ATOM 837 N ARG A 54 -17.625 -12.849 -11.973 1.00 50.13 N ATOM 838 CA ARG A 54 -16.365 -12.594 -11.285 1.00 53.32 C ATOM 839 C ARG A 54 -16.613 -12.038 -9.886 1.00 12.50 C ATOM 840 O ARG A 54 -17.454 -11.159 -9.695 1.00 15.32 O ATOM 841 CB ARG A 54 -15.509 -11.615 -12.090 1.00 40.44 C ATOM 842 CG ARG A 54 -14.125 -11.391 -11.504 1.00 23.41 C ATOM 843 CD ARG A 54 -13.252 -12.628 -11.649 1.00 31.42 C ATOM 844 NE ARG A 54 -12.025 -12.349 -12.389 1.00 5.32 N ATOM 845 CZ ARG A 54 -10.968 -11.744 -11.857 1.00 64.44 C ATOM 846 NH1 ARG A 54 -10.988 -11.359 -10.589 1.00 34.10 N ATOM 847 NH2 ARG A 54 -9.887 -11.525 -12.595 1.00 63.01 N ATOM 0 H ARG A 54 -18.025 -12.033 -12.436 1.00 50.13 H new ATOM 0 HA ARG A 54 -15.832 -13.540 -11.192 1.00 53.32 H new ATOM 0 HB2 ARG A 54 -15.407 -11.988 -13.109 1.00 40.44 H new ATOM 0 HB3 ARG A 54 -16.027 -10.658 -12.152 1.00 40.44 H new ATOM 0 HG2 ARG A 54 -13.649 -10.548 -12.004 1.00 23.41 H new ATOM 0 HG3 ARG A 54 -14.213 -11.128 -10.450 1.00 23.41 H new ATOM 0 HD2 ARG A 54 -13.000 -13.011 -10.660 1.00 31.42 H new ATOM 0 HD3 ARG A 54 -13.814 -13.410 -12.160 1.00 31.42 H new ATOM 0 HE ARG A 54 -11.976 -12.634 -13.367 1.00 5.32 H new ATOM 0 HH11 ARG A 54 -11.816 -11.527 -10.018 1.00 34.10 H new ATOM 0 HH12 ARG A 54 -10.175 -10.895 -10.184 1.00 34.10 H new ATOM 0 HH21 ARG A 54 -9.867 -11.821 -13.571 1.00 63.01 H new ATOM 0 HH22 ARG A 54 -9.076 -11.061 -12.186 1.00 63.01 H new ATOM 861 N THR A 55 -15.875 -12.556 -8.909 1.00 51.02 N ATOM 862 CA THR A 55 -16.016 -12.113 -7.528 1.00 25.32 C ATOM 863 C THR A 55 -15.249 -10.818 -7.285 1.00 30.20 C ATOM 864 O THR A 55 -14.332 -10.463 -8.026 1.00 53.20 O ATOM 865 CB THR A 55 -15.516 -13.185 -6.541 1.00 23.12 C ATOM 866 OG1 THR A 55 -14.702 -14.142 -7.228 1.00 32.41 O ATOM 867 CG2 THR A 55 -16.685 -13.892 -5.872 1.00 61.33 C ATOM 0 H THR A 55 -15.173 -13.283 -9.049 1.00 51.02 H new ATOM 0 HA THR A 55 -17.079 -11.940 -7.358 1.00 25.32 H new ATOM 0 HB THR A 55 -14.923 -12.691 -5.772 1.00 23.12 H new ATOM 0 HG1 THR A 55 -14.387 -14.819 -6.593 1.00 32.41 H new ATOM 0 HG21 THR A 55 -16.307 -14.644 -5.180 1.00 61.33 H new ATOM 0 HG22 THR A 55 -17.285 -13.165 -5.325 1.00 61.33 H new ATOM 0 HG23 THR A 55 -17.301 -14.374 -6.631 1.00 61.33 H new ATOM 875 N PRO A 56 -15.630 -10.094 -6.222 1.00 74.31 N ATOM 876 CA PRO A 56 -14.990 -8.827 -5.856 1.00 74.24 C ATOM 877 C PRO A 56 -13.571 -9.024 -5.336 1.00 44.12 C ATOM 878 O PRO A 56 -13.268 -10.029 -4.691 1.00 55.35 O ATOM 879 CB PRO A 56 -15.895 -8.280 -4.749 1.00 44.32 C ATOM 880 CG PRO A 56 -16.546 -9.484 -4.162 1.00 23.03 C ATOM 881 CD PRO A 56 -16.715 -10.457 -5.295 1.00 75.42 C ATOM 0 HA PRO A 56 -14.888 -8.159 -6.711 1.00 74.24 H new ATOM 0 HB2 PRO A 56 -15.319 -7.736 -4.000 1.00 44.32 H new ATOM 0 HB3 PRO A 56 -16.634 -7.586 -5.149 1.00 44.32 H new ATOM 0 HG2 PRO A 56 -15.933 -9.911 -3.369 1.00 23.03 H new ATOM 0 HG3 PRO A 56 -17.509 -9.230 -3.719 1.00 23.03 H new ATOM 0 HD2 PRO A 56 -16.625 -11.489 -4.955 1.00 75.42 H new ATOM 0 HD3 PRO A 56 -17.694 -10.361 -5.765 1.00 75.42 H new ATOM 889 N HIS A 57 -12.702 -8.058 -5.620 1.00 33.13 N ATOM 890 CA HIS A 57 -11.313 -8.125 -5.179 1.00 35.21 C ATOM 891 C HIS A 57 -10.824 -6.756 -4.716 1.00 64.33 C ATOM 892 O HIS A 57 -11.122 -5.736 -5.338 1.00 15.32 O ATOM 893 CB HIS A 57 -10.422 -8.644 -6.308 1.00 15.21 C ATOM 894 CG HIS A 57 -8.958 -8.538 -6.012 1.00 51.31 C ATOM 895 ND1 HIS A 57 -8.180 -7.479 -6.431 1.00 54.02 N ATOM 896 CD2 HIS A 57 -8.130 -9.365 -5.333 1.00 21.14 C ATOM 897 CE1 HIS A 57 -6.937 -7.661 -6.024 1.00 1.41 C ATOM 898 NE2 HIS A 57 -6.880 -8.798 -5.354 1.00 44.34 N ATOM 0 H HIS A 57 -12.935 -7.220 -6.153 1.00 33.13 H new ATOM 0 HA HIS A 57 -11.257 -8.815 -4.337 1.00 35.21 H new ATOM 0 HB2 HIS A 57 -10.670 -9.687 -6.505 1.00 15.21 H new ATOM 0 HB3 HIS A 57 -10.642 -8.087 -7.219 1.00 15.21 H new ATOM 0 HD1 HIS A 57 -8.513 -6.680 -6.971 1.00 54.02 H new ATOM 0 HD2 HIS A 57 -8.402 -10.298 -4.862 1.00 21.14 H new ATOM 0 HE1 HIS A 57 -6.108 -6.994 -6.208 1.00 1.41 H new ATOM 906 N LEU A 58 -10.071 -6.742 -3.622 1.00 2.41 N ATOM 907 CA LEU A 58 -9.540 -5.498 -3.075 1.00 42.21 C ATOM 908 C LEU A 58 -8.125 -5.240 -3.583 1.00 22.02 C ATOM 909 O LEU A 58 -7.284 -6.138 -3.586 1.00 23.33 O ATOM 910 CB LEU A 58 -9.544 -5.547 -1.546 1.00 54.22 C ATOM 911 CG LEU A 58 -9.965 -4.260 -0.835 1.00 22.34 C ATOM 912 CD1 LEU A 58 -9.740 -4.381 0.664 1.00 24.45 C ATOM 913 CD2 LEU A 58 -9.204 -3.068 -1.395 1.00 51.45 C ATOM 0 H LEU A 58 -9.814 -7.577 -3.096 1.00 2.41 H new ATOM 0 HA LEU A 58 -10.180 -4.681 -3.408 1.00 42.21 H new ATOM 0 HB2 LEU A 58 -10.212 -6.348 -1.230 1.00 54.22 H new ATOM 0 HB3 LEU A 58 -8.543 -5.814 -1.208 1.00 54.22 H new ATOM 0 HG LEU A 58 -11.029 -4.102 -1.011 1.00 22.34 H new ATOM 0 HD11 LEU A 58 -10.045 -3.456 1.154 1.00 24.45 H new ATOM 0 HD12 LEU A 58 -10.330 -5.210 1.055 1.00 24.45 H new ATOM 0 HD13 LEU A 58 -8.683 -4.564 0.860 1.00 24.45 H new ATOM 0 HD21 LEU A 58 -9.516 -2.161 -0.877 1.00 51.45 H new ATOM 0 HD22 LEU A 58 -8.134 -3.218 -1.250 1.00 51.45 H new ATOM 0 HD23 LEU A 58 -9.415 -2.969 -2.460 1.00 51.45 H new ATOM 925 N GLN A 59 -7.870 -4.007 -4.009 1.00 61.21 N ATOM 926 CA GLN A 59 -6.556 -3.632 -4.517 1.00 41.43 C ATOM 927 C GLN A 59 -6.282 -2.151 -4.275 1.00 45.05 C ATOM 928 O GLN A 59 -6.916 -1.285 -4.877 1.00 30.41 O ATOM 929 CB GLN A 59 -6.455 -3.944 -6.011 1.00 53.44 C ATOM 930 CG GLN A 59 -5.260 -3.294 -6.689 1.00 63.35 C ATOM 931 CD GLN A 59 -3.940 -3.711 -6.071 1.00 32.34 C ATOM 932 OE1 GLN A 59 -3.692 -3.471 -4.889 1.00 0.42 O ATOM 933 NE2 GLN A 59 -3.085 -4.341 -6.868 1.00 1.13 N ATOM 0 H GLN A 59 -8.555 -3.252 -4.012 1.00 61.21 H new ATOM 0 HA GLN A 59 -5.807 -4.214 -3.980 1.00 41.43 H new ATOM 0 HB2 GLN A 59 -6.395 -5.024 -6.145 1.00 53.44 H new ATOM 0 HB3 GLN A 59 -7.368 -3.612 -6.506 1.00 53.44 H new ATOM 0 HG2 GLN A 59 -5.260 -3.556 -7.747 1.00 63.35 H new ATOM 0 HG3 GLN A 59 -5.358 -2.210 -6.629 1.00 63.35 H new ATOM 0 HE21 GLN A 59 -3.332 -4.519 -7.842 1.00 1.13 H new ATOM 0 HE22 GLN A 59 -2.181 -4.647 -6.507 1.00 1.13 H new ATOM 942 N GLY A 60 -5.331 -1.867 -3.390 1.00 14.03 N ATOM 943 CA GLY A 60 -4.990 -0.490 -3.084 1.00 32.15 C ATOM 944 C GLY A 60 -3.523 -0.318 -2.744 1.00 30.01 C ATOM 945 O GLY A 60 -2.861 -1.265 -2.319 1.00 35.41 O ATOM 0 H GLY A 60 -4.791 -2.566 -2.880 1.00 14.03 H new ATOM 0 HA2 GLY A 60 -5.238 0.141 -3.937 1.00 32.15 H new ATOM 0 HA3 GLY A 60 -5.597 -0.146 -2.246 1.00 32.15 H new ATOM 949 N PHE A 61 -3.012 0.894 -2.933 1.00 23.12 N ATOM 950 CA PHE A 61 -1.612 1.186 -2.646 1.00 12.40 C ATOM 951 C PHE A 61 -1.491 2.300 -1.610 1.00 45.10 C ATOM 952 O PHE A 61 -2.245 3.272 -1.636 1.00 74.40 O ATOM 953 CB PHE A 61 -0.879 1.585 -3.929 1.00 13.34 C ATOM 954 CG PHE A 61 0.465 2.207 -3.682 1.00 5.21 C ATOM 955 CD1 PHE A 61 1.422 1.545 -2.930 1.00 23.23 C ATOM 956 CD2 PHE A 61 0.773 3.454 -4.203 1.00 20.25 C ATOM 957 CE1 PHE A 61 2.660 2.115 -2.701 1.00 1.34 C ATOM 958 CE2 PHE A 61 2.009 4.029 -3.977 1.00 44.11 C ATOM 959 CZ PHE A 61 2.955 3.358 -3.226 1.00 15.30 C ATOM 0 H PHE A 61 -3.546 1.689 -3.283 1.00 23.12 H new ATOM 0 HA PHE A 61 -1.154 0.284 -2.240 1.00 12.40 H new ATOM 0 HB2 PHE A 61 -0.752 0.702 -4.555 1.00 13.34 H new ATOM 0 HB3 PHE A 61 -1.498 2.286 -4.489 1.00 13.34 H new ATOM 0 HD1 PHE A 61 1.198 0.572 -2.518 1.00 23.23 H new ATOM 0 HD2 PHE A 61 0.038 3.982 -4.792 1.00 20.25 H new ATOM 0 HE1 PHE A 61 3.396 1.589 -2.112 1.00 1.34 H new ATOM 0 HE2 PHE A 61 2.235 5.002 -4.387 1.00 44.11 H new ATOM 0 HZ PHE A 61 3.923 3.804 -3.050 1.00 15.30 H new ATOM 969 N ALA A 62 -0.535 2.151 -0.699 1.00 21.53 N ATOM 970 CA ALA A 62 -0.313 3.143 0.345 1.00 3.23 C ATOM 971 C ALA A 62 1.176 3.396 0.555 1.00 65.14 C ATOM 972 O ALA A 62 1.970 2.459 0.627 1.00 63.12 O ATOM 973 CB ALA A 62 -0.962 2.695 1.646 1.00 0.23 C ATOM 0 H ALA A 62 0.098 1.352 -0.663 1.00 21.53 H new ATOM 0 HA ALA A 62 -0.772 4.078 0.026 1.00 3.23 H new ATOM 0 HB1 ALA A 62 -0.788 3.446 2.417 1.00 0.23 H new ATOM 0 HB2 ALA A 62 -2.034 2.572 1.494 1.00 0.23 H new ATOM 0 HB3 ALA A 62 -0.529 1.745 1.960 1.00 0.23 H new ATOM 979 N ASN A 63 1.548 4.668 0.651 1.00 44.35 N ATOM 980 CA ASN A 63 2.943 5.044 0.850 1.00 24.12 C ATOM 981 C ASN A 63 3.236 5.282 2.328 1.00 23.15 C ATOM 982 O ASN A 63 2.721 6.224 2.931 1.00 72.12 O ATOM 983 CB ASN A 63 3.275 6.301 0.044 1.00 1.31 C ATOM 984 CG ASN A 63 3.860 5.978 -1.317 1.00 63.20 C ATOM 985 OD1 ASN A 63 4.795 5.185 -1.431 1.00 31.44 O ATOM 986 ND2 ASN A 63 3.311 6.593 -2.358 1.00 63.21 N ATOM 0 H ASN A 63 0.903 5.456 0.594 1.00 44.35 H new ATOM 0 HA ASN A 63 3.568 4.222 0.501 1.00 24.12 H new ATOM 0 HB2 ASN A 63 2.371 6.896 -0.084 1.00 1.31 H new ATOM 0 HB3 ASN A 63 3.982 6.912 0.605 1.00 1.31 H new ATOM 0 HD21 ASN A 63 3.663 6.416 -3.299 1.00 63.21 H new ATOM 0 HD22 ASN A 63 2.537 7.243 -2.217 1.00 63.21 H new ATOM 993 N PHE A 64 4.068 4.422 2.907 1.00 31.11 N ATOM 994 CA PHE A 64 4.430 4.538 4.315 1.00 32.10 C ATOM 995 C PHE A 64 5.320 5.755 4.549 1.00 20.23 C ATOM 996 O PHE A 64 6.357 5.913 3.905 1.00 24.55 O ATOM 997 CB PHE A 64 5.146 3.270 4.786 1.00 53.14 C ATOM 998 CG PHE A 64 4.323 2.428 5.718 1.00 74.23 C ATOM 999 CD1 PHE A 64 4.091 2.838 7.021 1.00 74.22 C ATOM 1000 CD2 PHE A 64 3.780 1.226 5.291 1.00 43.41 C ATOM 1001 CE1 PHE A 64 3.334 2.064 7.881 1.00 42.23 C ATOM 1002 CE2 PHE A 64 3.023 0.449 6.146 1.00 33.43 C ATOM 1003 CZ PHE A 64 2.799 0.869 7.443 1.00 74.24 C ATOM 0 H PHE A 64 4.504 3.637 2.423 1.00 31.11 H new ATOM 0 HA PHE A 64 3.513 4.664 4.891 1.00 32.10 H new ATOM 0 HB2 PHE A 64 5.420 2.673 3.916 1.00 53.14 H new ATOM 0 HB3 PHE A 64 6.073 3.550 5.286 1.00 53.14 H new ATOM 0 HD1 PHE A 64 4.506 3.772 7.369 1.00 74.22 H new ATOM 0 HD2 PHE A 64 3.951 0.893 4.278 1.00 43.41 H new ATOM 0 HE1 PHE A 64 3.161 2.394 8.895 1.00 42.23 H new ATOM 0 HE2 PHE A 64 2.607 -0.486 5.801 1.00 33.43 H new ATOM 0 HZ PHE A 64 2.206 0.264 8.113 1.00 74.24 H new ATOM 1013 N VAL A 65 4.906 6.614 5.476 1.00 62.33 N ATOM 1014 CA VAL A 65 5.665 7.817 5.796 1.00 21.34 C ATOM 1015 C VAL A 65 7.026 7.467 6.387 1.00 22.41 C ATOM 1016 O VAL A 65 7.969 8.255 6.313 1.00 22.31 O ATOM 1017 CB VAL A 65 4.902 8.714 6.789 1.00 21.42 C ATOM 1018 CG1 VAL A 65 5.735 9.932 7.158 1.00 63.33 C ATOM 1019 CG2 VAL A 65 3.560 9.131 6.207 1.00 45.54 C ATOM 0 H VAL A 65 4.050 6.499 6.018 1.00 62.33 H new ATOM 0 HA VAL A 65 5.807 8.360 4.862 1.00 21.34 H new ATOM 0 HB VAL A 65 4.716 8.143 7.699 1.00 21.42 H new ATOM 0 HG11 VAL A 65 5.179 10.554 7.860 1.00 63.33 H new ATOM 0 HG12 VAL A 65 6.668 9.608 7.619 1.00 63.33 H new ATOM 0 HG13 VAL A 65 5.955 10.508 6.259 1.00 63.33 H new ATOM 0 HG21 VAL A 65 3.034 9.764 6.922 1.00 45.54 H new ATOM 0 HG22 VAL A 65 3.721 9.684 5.282 1.00 45.54 H new ATOM 0 HG23 VAL A 65 2.962 8.244 6.000 1.00 45.54 H new ATOM 1029 N LYS A 66 7.122 6.278 6.974 1.00 44.31 N ATOM 1030 CA LYS A 66 8.369 5.821 7.577 1.00 74.22 C ATOM 1031 C LYS A 66 8.791 4.474 6.998 1.00 34.13 C ATOM 1032 O LYS A 66 7.957 3.699 6.530 1.00 74.04 O ATOM 1033 CB LYS A 66 8.214 5.710 9.095 1.00 31.32 C ATOM 1034 CG LYS A 66 8.608 6.973 9.841 1.00 65.21 C ATOM 1035 CD LYS A 66 7.523 8.033 9.756 1.00 71.40 C ATOM 1036 CE LYS A 66 8.109 9.435 9.795 1.00 42.52 C ATOM 1037 NZ LYS A 66 7.395 10.308 10.767 1.00 10.42 N ATOM 0 H LYS A 66 6.351 5.614 7.045 1.00 44.31 H new ATOM 0 HA LYS A 66 9.144 6.553 7.350 1.00 74.22 H new ATOM 0 HB2 LYS A 66 7.177 5.468 9.329 1.00 31.32 H new ATOM 0 HB3 LYS A 66 8.824 4.881 9.454 1.00 31.32 H new ATOM 0 HG2 LYS A 66 8.802 6.733 10.886 1.00 65.21 H new ATOM 0 HG3 LYS A 66 9.536 7.367 9.426 1.00 65.21 H new ATOM 0 HD2 LYS A 66 6.955 7.901 8.835 1.00 71.40 H new ATOM 0 HD3 LYS A 66 6.824 7.907 10.583 1.00 71.40 H new ATOM 0 HE2 LYS A 66 9.164 9.380 10.063 1.00 42.52 H new ATOM 0 HE3 LYS A 66 8.055 9.879 8.801 1.00 42.52 H new ATOM 0 HZ1 LYS A 66 7.825 11.255 10.764 1.00 10.42 H new ATOM 0 HZ2 LYS A 66 6.393 10.381 10.497 1.00 10.42 H new ATOM 0 HZ3 LYS A 66 7.468 9.898 11.720 1.00 10.42 H new ATOM 1051 N LYS A 67 10.090 4.200 7.035 1.00 3.35 N ATOM 1052 CA LYS A 67 10.624 2.946 6.518 1.00 73.12 C ATOM 1053 C LYS A 67 10.045 1.755 7.275 1.00 72.12 C ATOM 1054 O LYS A 67 10.184 1.656 8.493 1.00 5.04 O ATOM 1055 CB LYS A 67 12.151 2.936 6.621 1.00 75.02 C ATOM 1056 CG LYS A 67 12.831 3.905 5.670 1.00 54.52 C ATOM 1057 CD LYS A 67 13.495 3.178 4.513 1.00 3.20 C ATOM 1058 CE LYS A 67 14.411 4.103 3.726 1.00 61.23 C ATOM 1059 NZ LYS A 67 15.847 3.860 4.038 1.00 34.42 N ATOM 0 H LYS A 67 10.794 4.831 7.418 1.00 3.35 H new ATOM 0 HA LYS A 67 10.337 2.863 5.470 1.00 73.12 H new ATOM 0 HB2 LYS A 67 12.439 3.181 7.643 1.00 75.02 H new ATOM 0 HB3 LYS A 67 12.514 1.928 6.420 1.00 75.02 H new ATOM 0 HG2 LYS A 67 12.097 4.612 5.283 1.00 54.52 H new ATOM 0 HG3 LYS A 67 13.577 4.485 6.213 1.00 54.52 H new ATOM 0 HD2 LYS A 67 14.069 2.333 4.894 1.00 3.20 H new ATOM 0 HD3 LYS A 67 12.731 2.771 3.851 1.00 3.20 H new ATOM 0 HE2 LYS A 67 14.242 3.959 2.659 1.00 61.23 H new ATOM 0 HE3 LYS A 67 14.161 5.140 3.952 1.00 61.23 H new ATOM 0 HZ1 LYS A 67 16.438 4.510 3.482 1.00 34.42 H new ATOM 0 HZ2 LYS A 67 16.014 4.022 5.052 1.00 34.42 H new ATOM 0 HZ3 LYS A 67 16.093 2.878 3.799 1.00 34.42 H new ATOM 1073 N GLN A 68 9.396 0.854 6.544 1.00 25.52 N ATOM 1074 CA GLN A 68 8.798 -0.331 7.148 1.00 13.10 C ATOM 1075 C GLN A 68 9.134 -1.582 6.342 1.00 14.44 C ATOM 1076 O GLN A 68 9.375 -1.511 5.137 1.00 43.11 O ATOM 1077 CB GLN A 68 7.280 -0.167 7.248 1.00 42.50 C ATOM 1078 CG GLN A 68 6.851 0.987 8.140 1.00 33.34 C ATOM 1079 CD GLN A 68 7.622 1.034 9.444 1.00 4.43 C ATOM 1080 OE1 GLN A 68 7.957 -0.002 10.019 1.00 11.24 O ATOM 1081 NE2 GLN A 68 7.910 2.241 9.919 1.00 61.14 N ATOM 0 H GLN A 68 9.271 0.922 5.534 1.00 25.52 H new ATOM 0 HA GLN A 68 9.211 -0.445 8.150 1.00 13.10 H new ATOM 0 HB2 GLN A 68 6.873 -0.014 6.249 1.00 42.50 H new ATOM 0 HB3 GLN A 68 6.847 -1.091 7.630 1.00 42.50 H new ATOM 0 HG2 GLN A 68 6.991 1.926 7.605 1.00 33.34 H new ATOM 0 HG3 GLN A 68 5.786 0.899 8.355 1.00 33.34 H new ATOM 0 HE21 GLN A 68 7.613 3.074 9.410 1.00 61.14 H new ATOM 0 HE22 GLN A 68 8.428 2.335 10.793 1.00 61.14 H new ATOM 1090 N THR A 69 9.148 -2.728 7.016 1.00 15.31 N ATOM 1091 CA THR A 69 9.455 -3.994 6.364 1.00 63.03 C ATOM 1092 C THR A 69 8.182 -4.734 5.971 1.00 53.12 C ATOM 1093 O THR A 69 7.080 -4.340 6.354 1.00 72.14 O ATOM 1094 CB THR A 69 10.304 -4.903 7.273 1.00 14.11 C ATOM 1095 OG1 THR A 69 9.472 -5.521 8.262 1.00 52.45 O ATOM 1096 CG2 THR A 69 11.406 -4.108 7.956 1.00 41.30 C ATOM 0 H THR A 69 8.950 -2.805 8.014 1.00 15.31 H new ATOM 0 HA THR A 69 10.025 -3.756 5.466 1.00 63.03 H new ATOM 0 HB THR A 69 10.764 -5.672 6.653 1.00 14.11 H new ATOM 0 HG1 THR A 69 10.019 -6.099 8.835 1.00 52.45 H new ATOM 0 HG21 THR A 69 11.992 -4.771 8.592 1.00 41.30 H new ATOM 0 HG22 THR A 69 12.054 -3.663 7.202 1.00 41.30 H new ATOM 0 HG23 THR A 69 10.962 -3.320 8.564 1.00 41.30 H new ATOM 1104 N PHE A 70 8.340 -5.808 5.205 1.00 35.41 N ATOM 1105 CA PHE A 70 7.201 -6.604 4.760 1.00 42.21 C ATOM 1106 C PHE A 70 6.450 -7.193 5.951 1.00 45.04 C ATOM 1107 O PHE A 70 5.244 -7.002 6.093 1.00 75.33 O ATOM 1108 CB PHE A 70 7.668 -7.726 3.831 1.00 24.41 C ATOM 1109 CG PHE A 70 6.699 -8.870 3.738 1.00 0.10 C ATOM 1110 CD1 PHE A 70 5.590 -8.790 2.912 1.00 51.34 C ATOM 1111 CD2 PHE A 70 6.897 -10.025 4.477 1.00 12.15 C ATOM 1112 CE1 PHE A 70 4.696 -9.840 2.823 1.00 20.44 C ATOM 1113 CE2 PHE A 70 6.007 -11.079 4.393 1.00 13.20 C ATOM 1114 CZ PHE A 70 4.904 -10.986 3.566 1.00 64.00 C ATOM 0 H PHE A 70 9.245 -6.148 4.879 1.00 35.41 H new ATOM 0 HA PHE A 70 6.523 -5.948 4.214 1.00 42.21 H new ATOM 0 HB2 PHE A 70 7.831 -7.317 2.834 1.00 24.41 H new ATOM 0 HB3 PHE A 70 8.629 -8.102 4.183 1.00 24.41 H new ATOM 0 HD1 PHE A 70 5.422 -7.896 2.330 1.00 51.34 H new ATOM 0 HD2 PHE A 70 7.757 -10.103 5.126 1.00 12.15 H new ATOM 0 HE1 PHE A 70 3.836 -9.765 2.174 1.00 20.44 H new ATOM 0 HE2 PHE A 70 6.173 -11.975 4.973 1.00 13.20 H new ATOM 0 HZ PHE A 70 4.206 -11.807 3.501 1.00 64.00 H new ATOM 1124 N ASN A 71 7.175 -7.910 6.803 1.00 21.32 N ATOM 1125 CA ASN A 71 6.578 -8.529 7.981 1.00 3.13 C ATOM 1126 C ASN A 71 5.977 -7.473 8.905 1.00 64.34 C ATOM 1127 O ASN A 71 4.891 -7.659 9.454 1.00 4.43 O ATOM 1128 CB ASN A 71 7.625 -9.348 8.738 1.00 23.35 C ATOM 1129 CG ASN A 71 7.196 -10.788 8.942 1.00 30.50 C ATOM 1130 OD1 ASN A 71 6.826 -11.187 10.046 1.00 32.33 O ATOM 1131 ND2 ASN A 71 7.244 -11.577 7.874 1.00 1.53 N ATOM 0 H ASN A 71 8.176 -8.077 6.700 1.00 21.32 H new ATOM 0 HA ASN A 71 5.779 -9.192 7.647 1.00 3.13 H new ATOM 0 HB2 ASN A 71 8.566 -9.327 8.188 1.00 23.35 H new ATOM 0 HB3 ASN A 71 7.812 -8.887 9.708 1.00 23.35 H new ATOM 0 HD21 ASN A 71 6.967 -12.556 7.950 1.00 1.53 H new ATOM 0 HD22 ASN A 71 7.557 -11.204 6.978 1.00 1.53 H new ATOM 1138 N LYS A 72 6.691 -6.365 9.070 1.00 11.21 N ATOM 1139 CA LYS A 72 6.229 -5.277 9.925 1.00 70.44 C ATOM 1140 C LYS A 72 4.953 -4.653 9.369 1.00 71.20 C ATOM 1141 O LYS A 72 3.973 -4.472 10.092 1.00 72.14 O ATOM 1142 CB LYS A 72 7.316 -4.209 10.057 1.00 2.44 C ATOM 1143 CG LYS A 72 7.235 -3.416 11.351 1.00 65.42 C ATOM 1144 CD LYS A 72 6.163 -2.342 11.281 1.00 61.22 C ATOM 1145 CE LYS A 72 6.038 -1.593 12.598 1.00 0.34 C ATOM 1146 NZ LYS A 72 6.709 -0.264 12.547 1.00 60.32 N ATOM 0 H LYS A 72 7.592 -6.196 8.623 1.00 11.21 H new ATOM 0 HA LYS A 72 6.011 -5.689 10.910 1.00 70.44 H new ATOM 0 HB2 LYS A 72 8.293 -4.687 9.994 1.00 2.44 H new ATOM 0 HB3 LYS A 72 7.243 -3.522 9.214 1.00 2.44 H new ATOM 0 HG2 LYS A 72 7.021 -4.091 12.180 1.00 65.42 H new ATOM 0 HG3 LYS A 72 8.201 -2.954 11.557 1.00 65.42 H new ATOM 0 HD2 LYS A 72 6.402 -1.639 10.483 1.00 61.22 H new ATOM 0 HD3 LYS A 72 5.206 -2.798 11.028 1.00 61.22 H new ATOM 0 HE2 LYS A 72 4.984 -1.458 12.840 1.00 0.34 H new ATOM 0 HE3 LYS A 72 6.475 -2.190 13.398 1.00 0.34 H new ATOM 0 HZ1 LYS A 72 7.409 -0.199 13.313 1.00 60.32 H new ATOM 0 HZ2 LYS A 72 7.187 -0.151 11.630 1.00 60.32 H new ATOM 0 HZ3 LYS A 72 6.000 0.488 12.662 1.00 60.32 H new ATOM 1160 N VAL A 73 4.971 -4.327 8.080 1.00 23.44 N ATOM 1161 CA VAL A 73 3.815 -3.726 7.427 1.00 33.03 C ATOM 1162 C VAL A 73 2.563 -4.570 7.639 1.00 23.42 C ATOM 1163 O VAL A 73 1.443 -4.060 7.608 1.00 43.14 O ATOM 1164 CB VAL A 73 4.052 -3.550 5.916 1.00 62.13 C ATOM 1165 CG1 VAL A 73 2.747 -3.226 5.204 1.00 5.01 C ATOM 1166 CG2 VAL A 73 5.090 -2.468 5.662 1.00 5.43 C ATOM 0 H VAL A 73 5.774 -4.469 7.468 1.00 23.44 H new ATOM 0 HA VAL A 73 3.670 -2.746 7.881 1.00 33.03 H new ATOM 0 HB VAL A 73 4.433 -4.489 5.514 1.00 62.13 H new ATOM 0 HG11 VAL A 73 2.935 -3.105 4.137 1.00 5.01 H new ATOM 0 HG12 VAL A 73 2.037 -4.039 5.358 1.00 5.01 H new ATOM 0 HG13 VAL A 73 2.333 -2.302 5.606 1.00 5.01 H new ATOM 0 HG21 VAL A 73 5.245 -2.357 4.589 1.00 5.43 H new ATOM 0 HG22 VAL A 73 4.740 -1.523 6.078 1.00 5.43 H new ATOM 0 HG23 VAL A 73 6.030 -2.747 6.137 1.00 5.43 H new ATOM 1176 N LYS A 74 2.760 -5.866 7.856 1.00 64.41 N ATOM 1177 CA LYS A 74 1.649 -6.784 8.075 1.00 14.23 C ATOM 1178 C LYS A 74 0.906 -6.440 9.362 1.00 35.23 C ATOM 1179 O LYS A 74 -0.185 -6.951 9.615 1.00 35.22 O ATOM 1180 CB LYS A 74 2.155 -8.227 8.136 1.00 3.41 C ATOM 1181 CG LYS A 74 2.935 -8.650 6.903 1.00 12.01 C ATOM 1182 CD LYS A 74 2.588 -10.069 6.484 1.00 10.22 C ATOM 1183 CE LYS A 74 1.768 -10.087 5.203 1.00 33.05 C ATOM 1184 NZ LYS A 74 1.517 -11.475 4.725 1.00 45.23 N ATOM 0 H LYS A 74 3.680 -6.305 7.885 1.00 64.41 H new ATOM 0 HA LYS A 74 0.958 -6.684 7.238 1.00 14.23 H new ATOM 0 HB2 LYS A 74 2.789 -8.344 9.015 1.00 3.41 H new ATOM 0 HB3 LYS A 74 1.305 -8.896 8.265 1.00 3.41 H new ATOM 0 HG2 LYS A 74 2.721 -7.965 6.083 1.00 12.01 H new ATOM 0 HG3 LYS A 74 4.004 -8.580 7.106 1.00 12.01 H new ATOM 0 HD2 LYS A 74 3.504 -10.641 6.339 1.00 10.22 H new ATOM 0 HD3 LYS A 74 2.030 -10.559 7.282 1.00 10.22 H new ATOM 0 HE2 LYS A 74 0.816 -9.584 5.374 1.00 33.05 H new ATOM 0 HE3 LYS A 74 2.291 -9.525 4.429 1.00 33.05 H new ATOM 0 HZ1 LYS A 74 0.759 -11.465 4.013 1.00 45.23 H new ATOM 0 HZ2 LYS A 74 2.386 -11.858 4.301 1.00 45.23 H new ATOM 0 HZ3 LYS A 74 1.231 -12.072 5.527 1.00 45.23 H new ATOM 1198 N TRP A 75 1.502 -5.572 10.170 1.00 2.44 N ATOM 1199 CA TRP A 75 0.895 -5.159 11.431 1.00 42.12 C ATOM 1200 C TRP A 75 -0.321 -4.273 11.185 1.00 74.51 C ATOM 1201 O TRP A 75 -1.177 -4.121 12.058 1.00 65.25 O ATOM 1202 CB TRP A 75 1.917 -4.415 12.293 1.00 34.41 C ATOM 1203 CG TRP A 75 2.114 -2.988 11.882 1.00 42.22 C ATOM 1204 CD1 TRP A 75 2.171 -2.503 10.606 1.00 5.24 C ATOM 1205 CD2 TRP A 75 2.282 -1.861 12.749 1.00 25.44 C ATOM 1206 NE1 TRP A 75 2.365 -1.143 10.629 1.00 43.40 N ATOM 1207 CE2 TRP A 75 2.436 -0.725 11.932 1.00 52.24 C ATOM 1208 CE3 TRP A 75 2.316 -1.702 14.137 1.00 4.13 C ATOM 1209 CZ2 TRP A 75 2.621 0.551 12.458 1.00 62.13 C ATOM 1210 CZ3 TRP A 75 2.501 -0.435 14.658 1.00 72.21 C ATOM 1211 CH2 TRP A 75 2.650 0.678 13.820 1.00 65.21 C ATOM 0 H TRP A 75 2.405 -5.140 9.975 1.00 2.44 H new ATOM 0 HA TRP A 75 0.568 -6.055 11.959 1.00 42.12 H new ATOM 0 HB2 TRP A 75 1.594 -4.445 13.334 1.00 34.41 H new ATOM 0 HB3 TRP A 75 2.873 -4.936 12.241 1.00 34.41 H new ATOM 0 HD1 TRP A 75 2.077 -3.101 9.711 1.00 5.24 H new ATOM 0 HE1 TRP A 75 2.443 -0.542 9.809 1.00 43.40 H new ATOM 0 HE3 TRP A 75 2.200 -2.554 14.791 1.00 4.13 H new ATOM 0 HZ2 TRP A 75 2.737 1.410 11.814 1.00 62.13 H new ATOM 0 HZ3 TRP A 75 2.531 -0.301 15.729 1.00 72.21 H new ATOM 0 HH2 TRP A 75 2.790 1.655 14.258 1.00 65.21 H new ATOM 1222 N TYR A 76 -0.393 -3.692 9.993 1.00 72.12 N ATOM 1223 CA TYR A 76 -1.505 -2.820 9.634 1.00 40.24 C ATOM 1224 C TYR A 76 -2.351 -3.443 8.527 1.00 3.31 C ATOM 1225 O TYR A 76 -3.574 -3.534 8.641 1.00 62.21 O ATOM 1226 CB TYR A 76 -0.984 -1.453 9.185 1.00 72.42 C ATOM 1227 CG TYR A 76 -1.127 -0.376 10.236 1.00 43.11 C ATOM 1228 CD1 TYR A 76 -2.275 -0.282 11.012 1.00 73.21 C ATOM 1229 CD2 TYR A 76 -0.112 0.548 10.454 1.00 62.12 C ATOM 1230 CE1 TYR A 76 -2.410 0.701 11.973 1.00 41.13 C ATOM 1231 CE2 TYR A 76 -0.237 1.534 11.414 1.00 71.45 C ATOM 1232 CZ TYR A 76 -1.388 1.606 12.170 1.00 52.40 C ATOM 1233 OH TYR A 76 -1.518 2.587 13.127 1.00 22.52 O ATOM 0 H TYR A 76 0.305 -3.809 9.259 1.00 72.12 H new ATOM 0 HA TYR A 76 -2.132 -2.691 10.516 1.00 40.24 H new ATOM 0 HB2 TYR A 76 0.067 -1.546 8.912 1.00 72.42 H new ATOM 0 HB3 TYR A 76 -1.520 -1.146 8.287 1.00 72.42 H new ATOM 0 HD1 TYR A 76 -3.076 -0.990 10.861 1.00 73.21 H new ATOM 0 HD2 TYR A 76 0.790 0.494 9.863 1.00 62.12 H new ATOM 0 HE1 TYR A 76 -3.310 0.761 12.567 1.00 41.13 H new ATOM 0 HE2 TYR A 76 0.562 2.244 11.571 1.00 71.45 H new ATOM 0 HH TYR A 76 -0.634 2.817 13.482 1.00 22.52 H new ATOM 1243 N LEU A 77 -1.690 -3.870 7.457 1.00 74.33 N ATOM 1244 CA LEU A 77 -2.380 -4.486 6.328 1.00 64.10 C ATOM 1245 C LEU A 77 -2.905 -5.869 6.700 1.00 51.05 C ATOM 1246 O LEU A 77 -3.975 -6.279 6.251 1.00 64.14 O ATOM 1247 CB LEU A 77 -1.439 -4.591 5.126 1.00 22.34 C ATOM 1248 CG LEU A 77 -1.044 -3.270 4.465 1.00 22.25 C ATOM 1249 CD1 LEU A 77 0.078 -3.490 3.462 1.00 54.21 C ATOM 1250 CD2 LEU A 77 -2.248 -2.630 3.791 1.00 73.54 C ATOM 0 H LEU A 77 -0.678 -3.801 7.347 1.00 74.33 H new ATOM 0 HA LEU A 77 -3.228 -3.855 6.063 1.00 64.10 H new ATOM 0 HB2 LEU A 77 -0.530 -5.100 5.445 1.00 22.34 H new ATOM 0 HB3 LEU A 77 -1.912 -5.223 4.374 1.00 22.34 H new ATOM 0 HG LEU A 77 -0.684 -2.592 5.238 1.00 22.25 H new ATOM 0 HD11 LEU A 77 0.346 -2.539 3.001 1.00 54.21 H new ATOM 0 HD12 LEU A 77 0.947 -3.903 3.973 1.00 54.21 H new ATOM 0 HD13 LEU A 77 -0.254 -4.186 2.691 1.00 54.21 H new ATOM 0 HD21 LEU A 77 -1.948 -1.691 3.326 1.00 73.54 H new ATOM 0 HD22 LEU A 77 -2.639 -3.304 3.029 1.00 73.54 H new ATOM 0 HD23 LEU A 77 -3.021 -2.436 4.535 1.00 73.54 H new ATOM 1262 N GLY A 78 -2.146 -6.583 7.525 1.00 64.11 N ATOM 1263 CA GLY A 78 -2.552 -7.911 7.945 1.00 73.42 C ATOM 1264 C GLY A 78 -2.021 -8.997 7.030 1.00 41.23 C ATOM 1265 O GLY A 78 -1.791 -8.761 5.844 1.00 55.21 O ATOM 0 H GLY A 78 -1.257 -6.265 7.910 1.00 64.11 H new ATOM 0 HA2 GLY A 78 -2.199 -8.091 8.960 1.00 73.42 H new ATOM 0 HA3 GLY A 78 -3.640 -7.963 7.972 1.00 73.42 H new ATOM 1269 N ALA A 79 -1.823 -10.190 7.582 1.00 52.54 N ATOM 1270 CA ALA A 79 -1.316 -11.315 6.807 1.00 63.02 C ATOM 1271 C ALA A 79 -2.402 -11.897 5.908 1.00 5.11 C ATOM 1272 O ALA A 79 -2.109 -12.486 4.867 1.00 32.34 O ATOM 1273 CB ALA A 79 -0.764 -12.388 7.734 1.00 71.01 C ATOM 0 H ALA A 79 -2.006 -10.402 8.563 1.00 52.54 H new ATOM 0 HA ALA A 79 -0.510 -10.951 6.169 1.00 63.02 H new ATOM 0 HB1 ALA A 79 -0.389 -13.223 7.142 1.00 71.01 H new ATOM 0 HB2 ALA A 79 0.048 -11.971 8.330 1.00 71.01 H new ATOM 0 HB3 ALA A 79 -1.556 -12.740 8.396 1.00 71.01 H new ATOM 1279 N ARG A 80 -3.655 -11.728 6.317 1.00 62.31 N ATOM 1280 CA ARG A 80 -4.784 -12.239 5.549 1.00 11.21 C ATOM 1281 C ARG A 80 -4.709 -11.774 4.098 1.00 55.43 C ATOM 1282 O ARG A 80 -5.061 -12.515 3.179 1.00 4.00 O ATOM 1283 CB ARG A 80 -6.103 -11.781 6.175 1.00 24.14 C ATOM 1284 CG ARG A 80 -6.136 -10.298 6.508 1.00 34.42 C ATOM 1285 CD ARG A 80 -7.496 -9.879 7.044 1.00 12.33 C ATOM 1286 NE ARG A 80 -7.862 -10.619 8.249 1.00 3.32 N ATOM 1287 CZ ARG A 80 -8.773 -10.200 9.121 1.00 64.23 C ATOM 1288 NH1 ARG A 80 -9.408 -9.053 8.922 1.00 64.43 N ATOM 1289 NH2 ARG A 80 -9.050 -10.930 10.194 1.00 55.43 N ATOM 0 H ARG A 80 -3.914 -11.242 7.175 1.00 62.31 H new ATOM 0 HA ARG A 80 -4.740 -13.328 5.566 1.00 11.21 H new ATOM 0 HB2 ARG A 80 -6.919 -12.009 5.490 1.00 24.14 H new ATOM 0 HB3 ARG A 80 -6.282 -12.353 7.085 1.00 24.14 H new ATOM 0 HG2 ARG A 80 -5.367 -10.072 7.247 1.00 34.42 H new ATOM 0 HG3 ARG A 80 -5.901 -9.718 5.616 1.00 34.42 H new ATOM 0 HD2 ARG A 80 -7.486 -8.811 7.264 1.00 12.33 H new ATOM 0 HD3 ARG A 80 -8.253 -10.039 6.276 1.00 12.33 H new ATOM 0 HE ARG A 80 -7.393 -11.506 8.431 1.00 3.32 H new ATOM 0 HH11 ARG A 80 -9.198 -8.490 8.098 1.00 64.43 H new ATOM 0 HH12 ARG A 80 -10.107 -8.734 9.593 1.00 64.43 H new ATOM 0 HH21 ARG A 80 -8.564 -11.813 10.350 1.00 55.43 H new ATOM 0 HH22 ARG A 80 -9.749 -10.608 10.863 1.00 55.43 H new ATOM 1303 N CYS A 81 -4.251 -10.543 3.899 1.00 10.24 N ATOM 1304 CA CYS A 81 -4.132 -9.978 2.560 1.00 44.11 C ATOM 1305 C CYS A 81 -2.684 -10.013 2.082 1.00 5.33 C ATOM 1306 O CYS A 81 -1.757 -9.778 2.859 1.00 62.43 O ATOM 1307 CB CYS A 81 -4.653 -8.540 2.542 1.00 70.33 C ATOM 1308 SG CYS A 81 -3.578 -7.355 3.383 1.00 51.50 S ATOM 0 H CYS A 81 -3.956 -9.917 4.648 1.00 10.24 H new ATOM 0 HA CYS A 81 -4.734 -10.583 1.882 1.00 44.11 H new ATOM 0 HB2 CYS A 81 -4.783 -8.225 1.507 1.00 70.33 H new ATOM 0 HB3 CYS A 81 -5.638 -8.516 3.009 1.00 70.33 H new ATOM 0 HG CYS A 81 -4.039 -7.121 4.576 1.00 51.50 H new ATOM 1314 N HIS A 82 -2.496 -10.308 0.800 1.00 63.11 N ATOM 1315 CA HIS A 82 -1.160 -10.375 0.219 1.00 44.14 C ATOM 1316 C HIS A 82 -0.611 -8.976 -0.044 1.00 42.30 C ATOM 1317 O HIS A 82 -1.256 -8.159 -0.702 1.00 70.24 O ATOM 1318 CB HIS A 82 -1.186 -11.177 -1.083 1.00 31.44 C ATOM 1319 CG HIS A 82 0.174 -11.569 -1.572 1.00 71.25 C ATOM 1320 ND1 HIS A 82 0.898 -12.610 -1.030 1.00 44.41 N ATOM 1321 CD2 HIS A 82 0.941 -11.054 -2.562 1.00 33.50 C ATOM 1322 CE1 HIS A 82 2.053 -12.717 -1.664 1.00 14.34 C ATOM 1323 NE2 HIS A 82 2.103 -11.785 -2.598 1.00 40.22 N ATOM 0 H HIS A 82 -3.252 -10.504 0.144 1.00 63.11 H new ATOM 0 HA HIS A 82 -0.506 -10.876 0.933 1.00 44.14 H new ATOM 0 HB2 HIS A 82 -1.783 -12.077 -0.934 1.00 31.44 H new ATOM 0 HB3 HIS A 82 -1.684 -10.588 -1.853 1.00 31.44 H new ATOM 0 HD2 HIS A 82 0.686 -10.223 -3.204 1.00 33.50 H new ATOM 0 HE1 HIS A 82 2.824 -13.443 -1.454 1.00 14.34 H new ATOM 0 HE2 HIS A 82 2.879 -11.633 -3.242 1.00 40.22 H new ATOM 1331 N ILE A 83 0.582 -8.706 0.475 1.00 21.23 N ATOM 1332 CA ILE A 83 1.217 -7.406 0.296 1.00 33.33 C ATOM 1333 C ILE A 83 2.517 -7.533 -0.490 1.00 4.05 C ATOM 1334 O ILE A 83 3.245 -8.515 -0.349 1.00 22.11 O ATOM 1335 CB ILE A 83 1.511 -6.732 1.650 1.00 62.55 C ATOM 1336 CG1 ILE A 83 2.464 -7.597 2.478 1.00 74.20 C ATOM 1337 CG2 ILE A 83 0.217 -6.483 2.410 1.00 41.24 C ATOM 1338 CD1 ILE A 83 2.957 -6.918 3.736 1.00 12.32 C ATOM 0 H ILE A 83 1.129 -9.370 1.023 1.00 21.23 H new ATOM 0 HA ILE A 83 0.516 -6.787 -0.264 1.00 33.33 H new ATOM 0 HB ILE A 83 1.991 -5.771 1.465 1.00 62.55 H new ATOM 0 HG12 ILE A 83 1.958 -8.523 2.749 1.00 74.20 H new ATOM 0 HG13 ILE A 83 3.321 -7.870 1.863 1.00 74.20 H new ATOM 0 HG21 ILE A 83 0.441 -6.006 3.364 1.00 41.24 H new ATOM 0 HG22 ILE A 83 -0.430 -5.832 1.823 1.00 41.24 H new ATOM 0 HG23 ILE A 83 -0.289 -7.432 2.588 1.00 41.24 H new ATOM 0 HD11 ILE A 83 3.628 -7.589 4.273 1.00 12.32 H new ATOM 0 HD12 ILE A 83 3.492 -6.006 3.471 1.00 12.32 H new ATOM 0 HD13 ILE A 83 2.107 -6.669 4.372 1.00 12.32 H new ATOM 1350 N GLU A 84 2.803 -6.531 -1.316 1.00 24.45 N ATOM 1351 CA GLU A 84 4.018 -6.531 -2.123 1.00 34.10 C ATOM 1352 C GLU A 84 4.511 -5.107 -2.363 1.00 23.14 C ATOM 1353 O GLU A 84 3.777 -4.140 -2.158 1.00 71.22 O ATOM 1354 CB GLU A 84 3.766 -7.228 -3.462 1.00 5.40 C ATOM 1355 CG GLU A 84 4.950 -8.042 -3.956 1.00 21.54 C ATOM 1356 CD GLU A 84 4.620 -8.864 -5.186 1.00 71.35 C ATOM 1357 OE1 GLU A 84 3.431 -9.192 -5.380 1.00 53.03 O ATOM 1358 OE2 GLU A 84 5.552 -9.179 -5.956 1.00 73.32 O ATOM 0 H GLU A 84 2.211 -5.710 -1.444 1.00 24.45 H new ATOM 0 HA GLU A 84 4.788 -7.076 -1.577 1.00 34.10 H new ATOM 0 HB2 GLU A 84 2.901 -7.884 -3.364 1.00 5.40 H new ATOM 0 HB3 GLU A 84 3.514 -6.477 -4.211 1.00 5.40 H new ATOM 0 HG2 GLU A 84 5.778 -7.371 -4.184 1.00 21.54 H new ATOM 0 HG3 GLU A 84 5.287 -8.706 -3.160 1.00 21.54 H new ATOM 1365 N LYS A 85 5.761 -4.986 -2.797 1.00 1.20 N ATOM 1366 CA LYS A 85 6.355 -3.682 -3.066 1.00 10.42 C ATOM 1367 C LYS A 85 5.820 -3.099 -4.370 1.00 1.41 C ATOM 1368 O LYS A 85 5.767 -3.783 -5.391 1.00 33.40 O ATOM 1369 CB LYS A 85 7.880 -3.797 -3.134 1.00 15.23 C ATOM 1370 CG LYS A 85 8.497 -4.431 -1.900 1.00 21.25 C ATOM 1371 CD LYS A 85 9.991 -4.647 -2.072 1.00 22.11 C ATOM 1372 CE LYS A 85 10.313 -6.103 -2.373 1.00 40.34 C ATOM 1373 NZ LYS A 85 11.492 -6.235 -3.273 1.00 25.33 N ATOM 0 H LYS A 85 6.383 -5.776 -2.970 1.00 1.20 H new ATOM 0 HA LYS A 85 6.083 -3.012 -2.250 1.00 10.42 H new ATOM 0 HB2 LYS A 85 8.153 -4.386 -4.010 1.00 15.23 H new ATOM 0 HB3 LYS A 85 8.305 -2.803 -3.273 1.00 15.23 H new ATOM 0 HG2 LYS A 85 8.318 -3.794 -1.034 1.00 21.25 H new ATOM 0 HG3 LYS A 85 8.011 -5.386 -1.699 1.00 21.25 H new ATOM 0 HD2 LYS A 85 10.360 -4.017 -2.881 1.00 22.11 H new ATOM 0 HD3 LYS A 85 10.511 -4.338 -1.165 1.00 22.11 H new ATOM 0 HE2 LYS A 85 10.507 -6.633 -1.440 1.00 40.34 H new ATOM 0 HE3 LYS A 85 9.448 -6.578 -2.835 1.00 40.34 H new ATOM 0 HZ1 LYS A 85 11.679 -7.242 -3.454 1.00 25.33 H new ATOM 0 HZ2 LYS A 85 11.298 -5.751 -4.173 1.00 25.33 H new ATOM 0 HZ3 LYS A 85 12.324 -5.804 -2.821 1.00 25.33 H new ATOM 1387 N ALA A 86 5.427 -1.830 -4.328 1.00 54.12 N ATOM 1388 CA ALA A 86 4.900 -1.154 -5.507 1.00 74.44 C ATOM 1389 C ALA A 86 6.026 -0.580 -6.360 1.00 53.02 C ATOM 1390 O ALA A 86 7.132 -0.348 -5.872 1.00 61.23 O ATOM 1391 CB ALA A 86 3.932 -0.054 -5.097 1.00 71.30 C ATOM 0 H ALA A 86 5.464 -1.250 -3.490 1.00 54.12 H new ATOM 0 HA ALA A 86 4.364 -1.889 -6.107 1.00 74.44 H new ATOM 0 HB1 ALA A 86 3.547 0.442 -5.988 1.00 71.30 H new ATOM 0 HB2 ALA A 86 3.104 -0.488 -4.536 1.00 71.30 H new ATOM 0 HB3 ALA A 86 4.451 0.673 -4.473 1.00 71.30 H new ATOM 1397 N LYS A 87 5.738 -0.353 -7.637 1.00 55.32 N ATOM 1398 CA LYS A 87 6.725 0.195 -8.559 1.00 43.32 C ATOM 1399 C LYS A 87 6.100 1.258 -9.458 1.00 24.15 C ATOM 1400 O LYS A 87 4.950 1.133 -9.875 1.00 41.14 O ATOM 1401 CB LYS A 87 7.329 -0.921 -9.415 1.00 54.31 C ATOM 1402 CG LYS A 87 6.387 -1.442 -10.487 1.00 10.21 C ATOM 1403 CD LYS A 87 6.382 -2.961 -10.535 1.00 2.45 C ATOM 1404 CE LYS A 87 5.389 -3.546 -9.543 1.00 35.11 C ATOM 1405 NZ LYS A 87 5.992 -4.641 -8.734 1.00 3.34 N ATOM 0 H LYS A 87 4.828 -0.540 -8.057 1.00 55.32 H new ATOM 0 HA LYS A 87 7.515 0.661 -7.970 1.00 43.32 H new ATOM 0 HB2 LYS A 87 8.238 -0.552 -9.890 1.00 54.31 H new ATOM 0 HB3 LYS A 87 7.621 -1.747 -8.767 1.00 54.31 H new ATOM 0 HG2 LYS A 87 5.377 -1.080 -10.293 1.00 10.21 H new ATOM 0 HG3 LYS A 87 6.686 -1.047 -11.458 1.00 10.21 H new ATOM 0 HD2 LYS A 87 6.131 -3.294 -11.542 1.00 2.45 H new ATOM 0 HD3 LYS A 87 7.381 -3.336 -10.315 1.00 2.45 H new ATOM 0 HE2 LYS A 87 5.032 -2.758 -8.879 1.00 35.11 H new ATOM 0 HE3 LYS A 87 4.521 -3.927 -10.080 1.00 35.11 H new ATOM 0 HZ1 LYS A 87 5.283 -5.013 -8.070 1.00 3.34 H new ATOM 0 HZ2 LYS A 87 6.310 -5.404 -9.365 1.00 3.34 H new ATOM 0 HZ3 LYS A 87 6.805 -4.272 -8.201 1.00 3.34 H new ATOM 1419 N GLY A 88 6.867 2.303 -9.752 1.00 45.40 N ATOM 1420 CA GLY A 88 6.372 3.372 -10.600 1.00 71.52 C ATOM 1421 C GLY A 88 6.208 4.679 -9.850 1.00 71.43 C ATOM 1422 O GLY A 88 6.742 4.846 -8.753 1.00 62.24 O ATOM 0 H GLY A 88 7.823 2.429 -9.418 1.00 45.40 H new ATOM 0 HA2 GLY A 88 7.060 3.519 -11.433 1.00 71.52 H new ATOM 0 HA3 GLY A 88 5.413 3.079 -11.026 1.00 71.52 H new ATOM 1426 N THR A 89 5.468 5.610 -10.443 1.00 53.50 N ATOM 1427 CA THR A 89 5.237 6.910 -9.826 1.00 2.42 C ATOM 1428 C THR A 89 3.843 6.989 -9.214 1.00 41.10 C ATOM 1429 O THR A 89 3.033 6.076 -9.373 1.00 31.25 O ATOM 1430 CB THR A 89 5.404 8.054 -10.845 1.00 34.44 C ATOM 1431 OG1 THR A 89 4.283 8.082 -11.736 1.00 45.03 O ATOM 1432 CG2 THR A 89 6.688 7.885 -11.642 1.00 4.45 C ATOM 0 H THR A 89 5.018 5.488 -11.350 1.00 53.50 H new ATOM 0 HA THR A 89 5.983 7.023 -9.039 1.00 2.42 H new ATOM 0 HB THR A 89 5.457 8.995 -10.298 1.00 34.44 H new ATOM 0 HG1 THR A 89 4.395 8.812 -12.380 1.00 45.03 H new ATOM 0 HG21 THR A 89 6.784 8.704 -12.355 1.00 4.45 H new ATOM 0 HG22 THR A 89 7.541 7.892 -10.963 1.00 4.45 H new ATOM 0 HG23 THR A 89 6.660 6.937 -12.180 1.00 4.45 H new ATOM 1440 N ASP A 90 3.570 8.085 -8.516 1.00 12.55 N ATOM 1441 CA ASP A 90 2.272 8.284 -7.881 1.00 51.11 C ATOM 1442 C ASP A 90 1.147 8.198 -8.907 1.00 55.14 C ATOM 1443 O ASP A 90 0.090 7.629 -8.636 1.00 54.04 O ATOM 1444 CB ASP A 90 2.229 9.638 -7.171 1.00 42.22 C ATOM 1445 CG ASP A 90 0.900 9.892 -6.487 1.00 62.32 C ATOM 1446 OD1 ASP A 90 -0.079 10.212 -7.193 1.00 13.01 O ATOM 1447 OD2 ASP A 90 0.839 9.769 -5.246 1.00 63.21 O ATOM 0 H ASP A 90 4.230 8.850 -8.375 1.00 12.55 H new ATOM 0 HA ASP A 90 2.130 7.493 -7.145 1.00 51.11 H new ATOM 0 HB2 ASP A 90 3.029 9.683 -6.432 1.00 42.22 H new ATOM 0 HB3 ASP A 90 2.419 10.431 -7.895 1.00 42.22 H new ATOM 1452 N GLN A 91 1.382 8.768 -10.085 1.00 34.10 N ATOM 1453 CA GLN A 91 0.387 8.757 -11.151 1.00 35.33 C ATOM 1454 C GLN A 91 0.147 7.338 -11.657 1.00 13.13 C ATOM 1455 O GLN A 91 -0.976 6.977 -12.009 1.00 43.02 O ATOM 1456 CB GLN A 91 0.835 9.654 -12.306 1.00 22.15 C ATOM 1457 CG GLN A 91 0.791 11.137 -11.976 1.00 55.33 C ATOM 1458 CD GLN A 91 -0.592 11.602 -11.563 1.00 50.12 C ATOM 1459 OE1 GLN A 91 -0.842 11.876 -10.389 1.00 54.32 O ATOM 1460 NE2 GLN A 91 -1.499 11.693 -12.529 1.00 12.44 N ATOM 0 H GLN A 91 2.252 9.243 -10.325 1.00 34.10 H new ATOM 0 HA GLN A 91 -0.548 9.141 -10.744 1.00 35.33 H new ATOM 0 HB2 GLN A 91 1.852 9.384 -12.592 1.00 22.15 H new ATOM 0 HB3 GLN A 91 0.199 9.464 -13.171 1.00 22.15 H new ATOM 0 HG2 GLN A 91 1.496 11.348 -11.172 1.00 55.33 H new ATOM 0 HG3 GLN A 91 1.118 11.709 -12.845 1.00 55.33 H new ATOM 0 HE21 GLN A 91 -1.248 11.456 -13.489 1.00 12.44 H new ATOM 0 HE22 GLN A 91 -2.447 12.000 -12.311 1.00 12.44 H new ATOM 1469 N GLN A 92 1.209 6.540 -11.690 1.00 33.41 N ATOM 1470 CA GLN A 92 1.113 5.161 -12.154 1.00 73.32 C ATOM 1471 C GLN A 92 0.287 4.317 -11.189 1.00 14.45 C ATOM 1472 O GLN A 92 -0.521 3.490 -11.607 1.00 74.33 O ATOM 1473 CB GLN A 92 2.509 4.555 -12.313 1.00 15.42 C ATOM 1474 CG GLN A 92 3.068 4.678 -13.721 1.00 24.22 C ATOM 1475 CD GLN A 92 3.762 3.412 -14.185 1.00 43.50 C ATOM 1476 OE1 GLN A 92 3.117 2.468 -14.641 1.00 13.21 O ATOM 1477 NE2 GLN A 92 5.085 3.387 -14.072 1.00 21.35 N ATOM 0 H GLN A 92 2.145 6.824 -11.401 1.00 33.41 H new ATOM 0 HA GLN A 92 0.614 5.165 -13.123 1.00 73.32 H new ATOM 0 HB2 GLN A 92 3.190 5.044 -11.617 1.00 15.42 H new ATOM 0 HB3 GLN A 92 2.472 3.501 -12.036 1.00 15.42 H new ATOM 0 HG2 GLN A 92 2.258 4.917 -14.410 1.00 24.22 H new ATOM 0 HG3 GLN A 92 3.773 5.509 -13.757 1.00 24.22 H new ATOM 0 HE21 GLN A 92 5.579 4.192 -13.688 1.00 21.35 H new ATOM 0 HE22 GLN A 92 5.607 2.562 -14.369 1.00 21.35 H new ATOM 1486 N ASN A 93 0.496 4.534 -9.894 1.00 32.41 N ATOM 1487 CA ASN A 93 -0.229 3.792 -8.868 1.00 53.33 C ATOM 1488 C ASN A 93 -1.650 4.326 -8.713 1.00 51.24 C ATOM 1489 O ASN A 93 -2.597 3.560 -8.536 1.00 14.02 O ATOM 1490 CB ASN A 93 0.508 3.878 -7.531 1.00 22.35 C ATOM 1491 CG ASN A 93 1.727 2.977 -7.484 1.00 23.11 C ATOM 1492 OD1 ASN A 93 1.892 2.185 -6.556 1.00 64.32 O ATOM 1493 ND2 ASN A 93 2.589 3.095 -8.488 1.00 12.04 N ATOM 0 H ASN A 93 1.161 5.217 -9.530 1.00 32.41 H new ATOM 0 HA ASN A 93 -0.283 2.749 -9.179 1.00 53.33 H new ATOM 0 HB2 ASN A 93 0.814 4.909 -7.354 1.00 22.35 H new ATOM 0 HB3 ASN A 93 -0.174 3.605 -6.725 1.00 22.35 H new ATOM 0 HD21 ASN A 93 3.428 2.516 -8.511 1.00 12.04 H new ATOM 0 HD22 ASN A 93 2.412 3.765 -9.236 1.00 12.04 H new ATOM 1500 N LYS A 94 -1.791 5.646 -8.783 1.00 33.54 N ATOM 1501 CA LYS A 94 -3.096 6.284 -8.652 1.00 62.33 C ATOM 1502 C LYS A 94 -4.035 5.834 -9.767 1.00 12.32 C ATOM 1503 O LYS A 94 -5.185 5.476 -9.514 1.00 62.22 O ATOM 1504 CB LYS A 94 -2.946 7.807 -8.680 1.00 35.52 C ATOM 1505 CG LYS A 94 -4.222 8.549 -8.323 1.00 13.43 C ATOM 1506 CD LYS A 94 -4.240 9.946 -8.921 1.00 13.25 C ATOM 1507 CE LYS A 94 -3.692 10.977 -7.946 1.00 25.23 C ATOM 1508 NZ LYS A 94 -4.780 11.729 -7.263 1.00 12.11 N ATOM 0 H LYS A 94 -1.018 6.295 -8.930 1.00 33.54 H new ATOM 0 HA LYS A 94 -3.526 5.985 -7.696 1.00 62.33 H new ATOM 0 HB2 LYS A 94 -2.159 8.099 -7.985 1.00 35.52 H new ATOM 0 HB3 LYS A 94 -2.623 8.114 -9.675 1.00 35.52 H new ATOM 0 HG2 LYS A 94 -5.084 7.987 -8.683 1.00 13.43 H new ATOM 0 HG3 LYS A 94 -4.315 8.615 -7.239 1.00 13.43 H new ATOM 0 HD2 LYS A 94 -3.648 9.959 -9.836 1.00 13.25 H new ATOM 0 HD3 LYS A 94 -5.260 10.211 -9.197 1.00 13.25 H new ATOM 0 HE2 LYS A 94 -3.072 10.478 -7.201 1.00 25.23 H new ATOM 0 HE3 LYS A 94 -3.048 11.676 -8.480 1.00 25.23 H new ATOM 0 HZ1 LYS A 94 -4.365 12.421 -6.607 1.00 12.11 H new ATOM 0 HZ2 LYS A 94 -5.357 12.226 -7.972 1.00 12.11 H new ATOM 0 HZ3 LYS A 94 -5.380 11.066 -6.732 1.00 12.11 H new ATOM 1522 N GLU A 95 -3.537 5.855 -10.999 1.00 41.11 N ATOM 1523 CA GLU A 95 -4.333 5.449 -12.151 1.00 61.33 C ATOM 1524 C GLU A 95 -4.552 3.939 -12.155 1.00 75.45 C ATOM 1525 O GLU A 95 -5.660 3.462 -12.404 1.00 13.10 O ATOM 1526 CB GLU A 95 -3.648 5.879 -13.450 1.00 1.20 C ATOM 1527 CG GLU A 95 -4.069 7.257 -13.932 1.00 42.14 C ATOM 1528 CD GLU A 95 -3.188 7.777 -15.052 1.00 12.51 C ATOM 1529 OE1 GLU A 95 -2.008 8.084 -14.785 1.00 65.01 O ATOM 1530 OE2 GLU A 95 -3.681 7.878 -16.195 1.00 64.33 O ATOM 0 H GLU A 95 -2.587 6.149 -11.225 1.00 41.11 H new ATOM 0 HA GLU A 95 -5.304 5.940 -12.081 1.00 61.33 H new ATOM 0 HB2 GLU A 95 -2.568 5.869 -13.302 1.00 1.20 H new ATOM 0 HB3 GLU A 95 -3.870 5.148 -14.227 1.00 1.20 H new ATOM 0 HG2 GLU A 95 -5.103 7.218 -14.276 1.00 42.14 H new ATOM 0 HG3 GLU A 95 -4.038 7.956 -13.096 1.00 42.14 H new ATOM 1537 N TYR A 96 -3.489 3.192 -11.879 1.00 74.44 N ATOM 1538 CA TYR A 96 -3.564 1.736 -11.854 1.00 70.31 C ATOM 1539 C TYR A 96 -4.628 1.262 -10.868 1.00 63.34 C ATOM 1540 O TYR A 96 -5.379 0.327 -11.150 1.00 40.44 O ATOM 1541 CB TYR A 96 -2.205 1.141 -11.480 1.00 73.25 C ATOM 1542 CG TYR A 96 -2.188 -0.371 -11.471 1.00 60.03 C ATOM 1543 CD1 TYR A 96 -1.996 -1.091 -12.644 1.00 43.52 C ATOM 1544 CD2 TYR A 96 -2.363 -1.080 -10.289 1.00 70.02 C ATOM 1545 CE1 TYR A 96 -1.980 -2.472 -12.640 1.00 50.24 C ATOM 1546 CE2 TYR A 96 -2.347 -2.461 -10.276 1.00 33.43 C ATOM 1547 CZ TYR A 96 -2.156 -3.153 -11.454 1.00 10.32 C ATOM 1548 OH TYR A 96 -2.140 -4.529 -11.446 1.00 4.43 O ATOM 0 H TYR A 96 -2.565 3.570 -11.669 1.00 74.44 H new ATOM 0 HA TYR A 96 -3.841 1.395 -12.851 1.00 70.31 H new ATOM 0 HB2 TYR A 96 -1.454 1.500 -12.184 1.00 73.25 H new ATOM 0 HB3 TYR A 96 -1.917 1.505 -10.494 1.00 73.25 H new ATOM 0 HD1 TYR A 96 -1.857 -0.561 -13.575 1.00 43.52 H new ATOM 0 HD2 TYR A 96 -2.514 -0.542 -9.365 1.00 70.02 H new ATOM 0 HE1 TYR A 96 -1.830 -3.016 -13.561 1.00 50.24 H new ATOM 0 HE2 TYR A 96 -2.483 -2.997 -9.348 1.00 33.43 H new ATOM 0 HH TYR A 96 -2.277 -4.852 -10.531 1.00 4.43 H new ATOM 1558 N CYS A 97 -4.685 1.913 -9.712 1.00 52.02 N ATOM 1559 CA CYS A 97 -5.656 1.559 -8.683 1.00 14.41 C ATOM 1560 C CYS A 97 -7.073 1.909 -9.128 1.00 45.24 C ATOM 1561 O CYS A 97 -8.030 1.211 -8.794 1.00 4.22 O ATOM 1562 CB CYS A 97 -5.328 2.279 -7.374 1.00 32.21 C ATOM 1563 SG CYS A 97 -6.305 1.720 -5.959 1.00 72.50 S ATOM 0 H CYS A 97 -4.071 2.688 -9.464 1.00 52.02 H new ATOM 0 HA CYS A 97 -5.601 0.482 -8.522 1.00 14.41 H new ATOM 0 HB2 CYS A 97 -4.271 2.139 -7.150 1.00 32.21 H new ATOM 0 HB3 CYS A 97 -5.486 3.349 -7.511 1.00 32.21 H new ATOM 0 HG CYS A 97 -5.752 2.136 -4.858 1.00 72.50 H new ATOM 1569 N SER A 98 -7.198 2.996 -9.884 1.00 32.41 N ATOM 1570 CA SER A 98 -8.498 3.442 -10.371 1.00 33.21 C ATOM 1571 C SER A 98 -8.922 2.643 -11.600 1.00 24.33 C ATOM 1572 O SER A 98 -10.072 2.710 -12.033 1.00 41.33 O ATOM 1573 CB SER A 98 -8.456 4.933 -10.708 1.00 43.43 C ATOM 1574 OG SER A 98 -8.331 5.137 -12.105 1.00 62.11 O ATOM 0 H SER A 98 -6.415 3.583 -10.172 1.00 32.41 H new ATOM 0 HA SER A 98 -9.230 3.276 -9.581 1.00 33.21 H new ATOM 0 HB2 SER A 98 -9.364 5.416 -10.347 1.00 43.43 H new ATOM 0 HB3 SER A 98 -7.618 5.402 -10.192 1.00 43.43 H new ATOM 0 HG SER A 98 -7.526 4.682 -12.431 1.00 62.11 H new ATOM 1580 N LYS A 99 -7.983 1.885 -12.157 1.00 41.42 N ATOM 1581 CA LYS A 99 -8.256 1.071 -13.336 1.00 1.25 C ATOM 1582 C LYS A 99 -9.414 0.112 -13.078 1.00 10.41 C ATOM 1583 O LYS A 99 -10.051 -0.370 -14.013 1.00 60.45 O ATOM 1584 CB LYS A 99 -7.007 0.283 -13.737 1.00 30.03 C ATOM 1585 CG LYS A 99 -6.917 -1.087 -13.086 1.00 51.43 C ATOM 1586 CD LYS A 99 -7.535 -2.162 -13.964 1.00 31.32 C ATOM 1587 CE LYS A 99 -6.819 -3.494 -13.801 1.00 22.12 C ATOM 1588 NZ LYS A 99 -6.082 -3.882 -15.035 1.00 60.43 N ATOM 0 H LYS A 99 -7.026 1.817 -11.811 1.00 41.42 H new ATOM 0 HA LYS A 99 -8.534 1.738 -14.152 1.00 1.25 H new ATOM 0 HB2 LYS A 99 -6.996 0.163 -14.820 1.00 30.03 H new ATOM 0 HB3 LYS A 99 -6.122 0.861 -13.471 1.00 30.03 H new ATOM 0 HG2 LYS A 99 -5.873 -1.331 -12.891 1.00 51.43 H new ATOM 0 HG3 LYS A 99 -7.425 -1.067 -12.122 1.00 51.43 H new ATOM 0 HD2 LYS A 99 -8.588 -2.280 -13.709 1.00 31.32 H new ATOM 0 HD3 LYS A 99 -7.492 -1.850 -15.008 1.00 31.32 H new ATOM 0 HE2 LYS A 99 -6.121 -3.431 -12.966 1.00 22.12 H new ATOM 0 HE3 LYS A 99 -7.545 -4.268 -13.553 1.00 22.12 H new ATOM 0 HZ1 LYS A 99 -5.608 -4.795 -14.883 1.00 60.43 H new ATOM 0 HZ2 LYS A 99 -6.751 -3.967 -15.827 1.00 60.43 H new ATOM 0 HZ3 LYS A 99 -5.372 -3.156 -15.258 1.00 60.43 H new ATOM 1602 N GLU A 100 -9.681 -0.157 -11.804 1.00 32.01 N ATOM 1603 CA GLU A 100 -10.764 -1.058 -11.425 1.00 44.30 C ATOM 1604 C GLU A 100 -12.122 -0.404 -11.660 1.00 35.23 C ATOM 1605 O GLU A 100 -13.141 -1.086 -11.767 1.00 11.24 O ATOM 1606 CB GLU A 100 -10.628 -1.464 -9.956 1.00 61.42 C ATOM 1607 CG GLU A 100 -9.366 -2.256 -9.658 1.00 3.01 C ATOM 1608 CD GLU A 100 -8.969 -2.193 -8.196 1.00 15.04 C ATOM 1609 OE1 GLU A 100 -9.752 -2.670 -7.347 1.00 41.42 O ATOM 1610 OE2 GLU A 100 -7.876 -1.667 -7.900 1.00 40.10 O ATOM 0 H GLU A 100 -9.163 0.235 -11.018 1.00 32.01 H new ATOM 0 HA GLU A 100 -10.697 -1.950 -12.049 1.00 44.30 H new ATOM 0 HB2 GLU A 100 -10.638 -0.567 -9.337 1.00 61.42 H new ATOM 0 HB3 GLU A 100 -11.496 -2.058 -9.670 1.00 61.42 H new ATOM 0 HG2 GLU A 100 -9.518 -3.297 -9.945 1.00 3.01 H new ATOM 0 HG3 GLU A 100 -8.549 -1.873 -10.269 1.00 3.01 H new ATOM 1617 N GLY A 101 -12.129 0.923 -11.738 1.00 42.12 N ATOM 1618 CA GLY A 101 -13.367 1.647 -11.959 1.00 1.32 C ATOM 1619 C GLY A 101 -14.124 1.908 -10.671 1.00 64.44 C ATOM 1620 O GLY A 101 -15.143 2.596 -10.671 1.00 40.24 O ATOM 0 H GLY A 101 -11.299 1.510 -11.652 1.00 42.12 H new ATOM 0 HA2 GLY A 101 -13.147 2.597 -12.446 1.00 1.32 H new ATOM 0 HA3 GLY A 101 -14.000 1.079 -12.640 1.00 1.32 H new ATOM 1624 N ASN A 102 -13.624 1.354 -9.571 1.00 73.01 N ATOM 1625 CA ASN A 102 -14.262 1.528 -8.271 1.00 2.20 C ATOM 1626 C ASN A 102 -13.260 2.035 -7.238 1.00 13.13 C ATOM 1627 O ASN A 102 -12.191 1.451 -7.055 1.00 12.44 O ATOM 1628 CB ASN A 102 -14.874 0.208 -7.799 1.00 54.01 C ATOM 1629 CG ASN A 102 -16.297 0.376 -7.301 1.00 2.12 C ATOM 1630 OD1 ASN A 102 -17.236 0.471 -8.091 1.00 70.11 O ATOM 1631 ND2 ASN A 102 -16.462 0.414 -5.984 1.00 4.23 N ATOM 0 H ASN A 102 -12.780 0.781 -9.554 1.00 73.01 H new ATOM 0 HA ASN A 102 -15.054 2.269 -8.379 1.00 2.20 H new ATOM 0 HB2 ASN A 102 -14.861 -0.509 -8.620 1.00 54.01 H new ATOM 0 HB3 ASN A 102 -14.260 -0.210 -7.001 1.00 54.01 H new ATOM 0 HD21 ASN A 102 -17.396 0.526 -5.590 1.00 4.23 H new ATOM 0 HD22 ASN A 102 -15.655 0.331 -5.366 1.00 4.23 H new ATOM 1638 N LEU A 103 -13.614 3.124 -6.564 1.00 44.43 N ATOM 1639 CA LEU A 103 -12.747 3.711 -5.548 1.00 64.51 C ATOM 1640 C LEU A 103 -13.308 3.472 -4.150 1.00 22.10 C ATOM 1641 O LEU A 103 -14.381 3.969 -3.807 1.00 13.00 O ATOM 1642 CB LEU A 103 -12.581 5.211 -5.794 1.00 53.24 C ATOM 1643 CG LEU A 103 -11.167 5.684 -6.131 1.00 3.31 C ATOM 1644 CD1 LEU A 103 -10.272 5.607 -4.904 1.00 23.52 C ATOM 1645 CD2 LEU A 103 -10.586 4.860 -7.270 1.00 65.23 C ATOM 0 H LEU A 103 -14.495 3.618 -6.703 1.00 44.43 H new ATOM 0 HA LEU A 103 -11.772 3.229 -5.616 1.00 64.51 H new ATOM 0 HB2 LEU A 103 -13.243 5.500 -6.610 1.00 53.24 H new ATOM 0 HB3 LEU A 103 -12.919 5.744 -4.905 1.00 53.24 H new ATOM 0 HG LEU A 103 -11.219 6.724 -6.452 1.00 3.31 H new ATOM 0 HD11 LEU A 103 -9.269 5.948 -5.163 1.00 23.52 H new ATOM 0 HD12 LEU A 103 -10.679 6.242 -4.117 1.00 23.52 H new ATOM 0 HD13 LEU A 103 -10.225 4.577 -4.552 1.00 23.52 H new ATOM 0 HD21 LEU A 103 -9.579 5.211 -7.496 1.00 65.23 H new ATOM 0 HD22 LEU A 103 -10.547 3.811 -6.977 1.00 65.23 H new ATOM 0 HD23 LEU A 103 -11.215 4.967 -8.154 1.00 65.23 H new ATOM 1657 N LEU A 104 -12.574 2.710 -3.346 1.00 13.11 N ATOM 1658 CA LEU A 104 -12.997 2.407 -1.983 1.00 54.11 C ATOM 1659 C LEU A 104 -12.534 3.491 -1.015 1.00 54.44 C ATOM 1660 O LEU A 104 -13.263 3.872 -0.099 1.00 60.25 O ATOM 1661 CB LEU A 104 -12.445 1.049 -1.547 1.00 34.21 C ATOM 1662 CG LEU A 104 -13.250 0.310 -0.477 1.00 22.41 C ATOM 1663 CD1 LEU A 104 -13.270 1.104 0.820 1.00 52.24 C ATOM 1664 CD2 LEU A 104 -14.667 0.044 -0.964 1.00 22.51 C ATOM 0 H LEU A 104 -11.684 2.291 -3.614 1.00 13.11 H new ATOM 0 HA LEU A 104 -14.086 2.372 -1.966 1.00 54.11 H new ATOM 0 HB2 LEU A 104 -12.374 0.409 -2.426 1.00 34.21 H new ATOM 0 HB3 LEU A 104 -11.431 1.194 -1.175 1.00 34.21 H new ATOM 0 HG LEU A 104 -12.768 -0.648 -0.284 1.00 22.41 H new ATOM 0 HD11 LEU A 104 -13.847 0.562 1.569 1.00 52.24 H new ATOM 0 HD12 LEU A 104 -12.250 1.242 1.178 1.00 52.24 H new ATOM 0 HD13 LEU A 104 -13.727 2.078 0.644 1.00 52.24 H new ATOM 0 HD21 LEU A 104 -15.225 -0.483 -0.190 1.00 22.51 H new ATOM 0 HD22 LEU A 104 -15.159 0.991 -1.186 1.00 22.51 H new ATOM 0 HD23 LEU A 104 -14.633 -0.567 -1.866 1.00 22.51 H new ATOM 1676 N MET A 105 -11.319 3.986 -1.227 1.00 12.33 N ATOM 1677 CA MET A 105 -10.761 5.030 -0.375 1.00 23.12 C ATOM 1678 C MET A 105 -9.866 5.967 -1.179 1.00 41.43 C ATOM 1679 O MET A 105 -9.065 5.522 -2.001 1.00 35.12 O ATOM 1680 CB MET A 105 -9.965 4.408 0.775 1.00 52.23 C ATOM 1681 CG MET A 105 -8.914 5.338 1.359 1.00 60.12 C ATOM 1682 SD MET A 105 -8.690 5.106 3.133 1.00 70.22 S ATOM 1683 CE MET A 105 -7.361 3.905 3.152 1.00 73.20 C ATOM 0 H MET A 105 -10.703 3.682 -1.980 1.00 12.33 H new ATOM 0 HA MET A 105 -11.588 5.609 0.036 1.00 23.12 H new ATOM 0 HB2 MET A 105 -10.655 4.111 1.565 1.00 52.23 H new ATOM 0 HB3 MET A 105 -9.478 3.500 0.420 1.00 52.23 H new ATOM 0 HG2 MET A 105 -7.964 5.170 0.852 1.00 60.12 H new ATOM 0 HG3 MET A 105 -9.201 6.372 1.165 1.00 60.12 H new ATOM 0 HE1 MET A 105 -6.917 3.869 4.147 1.00 73.20 H new ATOM 0 HE2 MET A 105 -7.755 2.922 2.895 1.00 73.20 H new ATOM 0 HE3 MET A 105 -6.601 4.192 2.426 1.00 73.20 H new ATOM 1693 N GLU A 106 -10.008 7.267 -0.937 1.00 20.20 N ATOM 1694 CA GLU A 106 -9.212 8.266 -1.641 1.00 34.22 C ATOM 1695 C GLU A 106 -8.709 9.337 -0.678 1.00 1.31 C ATOM 1696 O GLU A 106 -9.469 10.205 -0.246 1.00 23.04 O ATOM 1697 CB GLU A 106 -10.036 8.913 -2.756 1.00 14.22 C ATOM 1698 CG GLU A 106 -9.201 9.386 -3.934 1.00 32.41 C ATOM 1699 CD GLU A 106 -9.975 10.293 -4.871 1.00 4.34 C ATOM 1700 OE1 GLU A 106 -11.220 10.311 -4.787 1.00 33.43 O ATOM 1701 OE2 GLU A 106 -9.333 10.987 -5.688 1.00 31.34 O ATOM 0 H GLU A 106 -10.666 7.652 -0.260 1.00 20.20 H new ATOM 0 HA GLU A 106 -8.350 7.764 -2.081 1.00 34.22 H new ATOM 0 HB2 GLU A 106 -10.777 8.197 -3.111 1.00 14.22 H new ATOM 0 HB3 GLU A 106 -10.584 9.761 -2.346 1.00 14.22 H new ATOM 0 HG2 GLU A 106 -8.324 9.916 -3.563 1.00 32.41 H new ATOM 0 HG3 GLU A 106 -8.839 8.520 -4.489 1.00 32.41 H new ATOM 1708 N CYS A 107 -7.424 9.270 -0.346 1.00 75.43 N ATOM 1709 CA CYS A 107 -6.819 10.233 0.567 1.00 63.53 C ATOM 1710 C CYS A 107 -5.324 10.370 0.299 1.00 65.35 C ATOM 1711 O CYS A 107 -4.772 9.687 -0.564 1.00 2.24 O ATOM 1712 CB CYS A 107 -7.052 9.808 2.017 1.00 12.13 C ATOM 1713 SG CYS A 107 -8.604 10.412 2.723 1.00 44.25 S ATOM 0 H CYS A 107 -6.782 8.559 -0.695 1.00 75.43 H new ATOM 0 HA CYS A 107 -7.290 11.201 0.400 1.00 63.53 H new ATOM 0 HB2 CYS A 107 -7.040 8.719 2.072 1.00 12.13 H new ATOM 0 HB3 CYS A 107 -6.223 10.167 2.627 1.00 12.13 H new ATOM 0 HG CYS A 107 -9.482 10.561 1.776 1.00 44.25 H new ATOM 1719 N GLY A 108 -4.673 11.259 1.043 1.00 60.10 N ATOM 1720 CA GLY A 108 -3.248 11.471 0.869 1.00 1.12 C ATOM 1721 C GLY A 108 -2.943 12.574 -0.125 1.00 0.45 C ATOM 1722 O GLY A 108 -3.854 13.184 -0.685 1.00 22.44 O ATOM 0 H GLY A 108 -5.107 11.836 1.763 1.00 60.10 H new ATOM 0 HA2 GLY A 108 -2.801 11.720 1.831 1.00 1.12 H new ATOM 0 HA3 GLY A 108 -2.784 10.544 0.532 1.00 1.12 H new ATOM 1726 N ALA A 109 -1.658 12.833 -0.343 1.00 1.42 N ATOM 1727 CA ALA A 109 -1.235 13.871 -1.276 1.00 34.52 C ATOM 1728 C ALA A 109 -0.569 13.264 -2.506 1.00 4.02 C ATOM 1729 O ALA A 109 -0.100 12.126 -2.490 1.00 24.23 O ATOM 1730 CB ALA A 109 -0.292 14.846 -0.588 1.00 45.14 C ATOM 0 H ALA A 109 -0.892 12.339 0.114 1.00 1.42 H new ATOM 0 HA ALA A 109 -2.121 14.413 -1.606 1.00 34.52 H new ATOM 0 HB1 ALA A 109 0.016 15.615 -1.296 1.00 45.14 H new ATOM 0 HB2 ALA A 109 -0.802 15.312 0.255 1.00 45.14 H new ATOM 0 HB3 ALA A 109 0.587 14.310 -0.229 1.00 45.14 H new ATOM 1736 N PRO A 110 -0.525 14.040 -3.599 1.00 61.32 N ATOM 1737 CA PRO A 110 0.082 13.599 -4.859 1.00 2.14 C ATOM 1738 C PRO A 110 1.599 13.482 -4.761 1.00 45.40 C ATOM 1739 O PRO A 110 2.313 14.485 -4.806 1.00 33.25 O ATOM 1740 CB PRO A 110 -0.307 14.703 -5.845 1.00 62.12 C ATOM 1741 CG PRO A 110 -0.520 15.910 -4.998 1.00 71.14 C ATOM 1742 CD PRO A 110 -1.064 15.407 -3.690 1.00 34.10 C ATOM 0 HA PRO A 110 -0.261 12.607 -5.152 1.00 2.14 H new ATOM 0 HB2 PRO A 110 0.478 14.870 -6.582 1.00 62.12 H new ATOM 0 HB3 PRO A 110 -1.211 14.441 -6.396 1.00 62.12 H new ATOM 0 HG2 PRO A 110 0.414 16.452 -4.850 1.00 71.14 H new ATOM 0 HG3 PRO A 110 -1.218 16.601 -5.471 1.00 71.14 H new ATOM 0 HD2 PRO A 110 -0.736 16.025 -2.854 1.00 34.10 H new ATOM 0 HD3 PRO A 110 -2.154 15.411 -3.680 1.00 34.10 H new ATOM 1750 N ARG A 111 2.086 12.253 -4.628 1.00 64.13 N ATOM 1751 CA ARG A 111 3.519 12.006 -4.524 1.00 24.12 C ATOM 1752 C ARG A 111 4.214 12.265 -5.857 1.00 64.54 C ATOM 1753 O ARG A 111 3.599 12.167 -6.919 1.00 32.42 O ATOM 1754 CB ARG A 111 3.779 10.568 -4.072 1.00 30.42 C ATOM 1755 CG ARG A 111 3.839 10.405 -2.562 1.00 4.33 C ATOM 1756 CD ARG A 111 5.055 11.105 -1.974 1.00 64.45 C ATOM 1757 NE ARG A 111 6.302 10.617 -2.558 1.00 22.31 N ATOM 1758 CZ ARG A 111 7.476 11.216 -2.391 1.00 53.42 C ATOM 1759 NH1 ARG A 111 7.562 12.320 -1.662 1.00 1.31 N ATOM 1760 NH2 ARG A 111 8.566 10.712 -2.954 1.00 61.41 N ATOM 0 H ARG A 111 1.509 11.413 -4.590 1.00 64.13 H new ATOM 0 HA ARG A 111 3.927 12.692 -3.782 1.00 24.12 H new ATOM 0 HB2 ARG A 111 2.993 9.924 -4.467 1.00 30.42 H new ATOM 0 HB3 ARG A 111 4.719 10.225 -4.504 1.00 30.42 H new ATOM 0 HG2 ARG A 111 2.932 10.812 -2.115 1.00 4.33 H new ATOM 0 HG3 ARG A 111 3.871 9.345 -2.310 1.00 4.33 H new ATOM 0 HD2 ARG A 111 4.972 12.179 -2.142 1.00 64.45 H new ATOM 0 HD3 ARG A 111 5.075 10.952 -0.895 1.00 64.45 H new ATOM 0 HE ARG A 111 6.270 9.770 -3.125 1.00 22.31 H new ATOM 0 HH11 ARG A 111 6.726 12.711 -1.228 1.00 1.31 H new ATOM 0 HH12 ARG A 111 8.464 12.778 -1.535 1.00 1.31 H new ATOM 0 HH21 ARG A 111 8.504 9.863 -3.516 1.00 61.41 H new ATOM 0 HH22 ARG A 111 9.467 11.173 -2.825 1.00 61.41 H new ATOM 1774 N SER A 112 5.500 12.596 -5.794 1.00 61.44 N ATOM 1775 CA SER A 112 6.278 12.873 -6.996 1.00 71.24 C ATOM 1776 C SER A 112 7.743 13.120 -6.650 1.00 50.53 C ATOM 1777 O SER A 112 8.082 14.124 -6.024 1.00 10.11 O ATOM 1778 CB SER A 112 5.704 14.085 -7.733 1.00 30.15 C ATOM 1779 OG SER A 112 4.778 13.685 -8.728 1.00 40.51 O ATOM 0 H SER A 112 6.025 12.679 -4.923 1.00 61.44 H new ATOM 0 HA SER A 112 6.219 12.000 -7.646 1.00 71.24 H new ATOM 0 HB2 SER A 112 5.213 14.749 -7.021 1.00 30.15 H new ATOM 0 HB3 SER A 112 6.514 14.652 -8.192 1.00 30.15 H new ATOM 0 HG SER A 112 4.136 13.053 -8.342 1.00 40.51 H new ATOM 1785 N GLN A 113 8.606 12.198 -7.063 1.00 61.01 N ATOM 1786 CA GLN A 113 10.035 12.315 -6.796 1.00 52.43 C ATOM 1787 C GLN A 113 10.801 12.654 -8.071 1.00 54.20 C ATOM 1788 O GLN A 113 10.504 12.129 -9.143 1.00 64.23 O ATOM 1789 CB GLN A 113 10.571 11.015 -6.195 1.00 44.22 C ATOM 1790 CG GLN A 113 12.062 11.052 -5.898 1.00 71.14 C ATOM 1791 CD GLN A 113 12.427 10.275 -4.649 1.00 4.11 C ATOM 1792 OE1 GLN A 113 12.389 9.044 -4.636 1.00 3.43 O ATOM 1793 NE2 GLN A 113 12.785 10.991 -3.589 1.00 53.45 N ATOM 0 H GLN A 113 8.341 11.362 -7.584 1.00 61.01 H new ATOM 0 HA GLN A 113 10.180 13.124 -6.081 1.00 52.43 H new ATOM 0 HB2 GLN A 113 10.030 10.801 -5.273 1.00 44.22 H new ATOM 0 HB3 GLN A 113 10.366 10.195 -6.883 1.00 44.22 H new ATOM 0 HG2 GLN A 113 12.608 10.643 -6.748 1.00 71.14 H new ATOM 0 HG3 GLN A 113 12.380 12.088 -5.783 1.00 71.14 H new ATOM 0 HE21 GLN A 113 12.803 12.009 -3.644 1.00 53.45 H new ATOM 0 HE22 GLN A 113 13.042 10.522 -2.720 1.00 53.45 H new ATOM 1802 N GLY A 114 11.787 13.537 -7.946 1.00 64.31 N ATOM 1803 CA GLY A 114 12.580 13.931 -9.096 1.00 70.11 C ATOM 1804 C GLY A 114 13.066 15.363 -9.001 1.00 43.45 C ATOM 1805 O GLY A 114 12.273 16.282 -8.800 1.00 52.33 O ATOM 0 H GLY A 114 12.051 13.986 -7.069 1.00 64.31 H new ATOM 0 HA2 GLY A 114 13.438 13.265 -9.188 1.00 70.11 H new ATOM 0 HA3 GLY A 114 11.985 13.812 -10.002 1.00 70.11 H new ATOM 1809 N GLN A 115 14.374 15.553 -9.145 1.00 51.52 N ATOM 1810 CA GLN A 115 14.964 16.885 -9.072 1.00 64.32 C ATOM 1811 C GLN A 115 15.641 17.253 -10.388 1.00 50.04 C ATOM 1812 O GLN A 115 15.167 18.124 -11.119 1.00 24.25 O ATOM 1813 CB GLN A 115 15.977 16.954 -7.928 1.00 12.54 C ATOM 1814 CG GLN A 115 15.510 17.799 -6.753 1.00 70.00 C ATOM 1815 CD GLN A 115 14.487 17.086 -5.892 1.00 34.44 C ATOM 1816 OE1 GLN A 115 14.555 15.871 -5.704 1.00 20.42 O ATOM 1817 NE2 GLN A 115 13.530 17.839 -5.362 1.00 30.01 N ATOM 0 H GLN A 115 15.044 14.803 -9.313 1.00 51.52 H new ATOM 0 HA GLN A 115 14.163 17.600 -8.884 1.00 64.32 H new ATOM 0 HB2 GLN A 115 16.187 15.943 -7.578 1.00 12.54 H new ATOM 0 HB3 GLN A 115 16.914 17.361 -8.308 1.00 12.54 H new ATOM 0 HG2 GLN A 115 16.370 18.069 -6.140 1.00 70.00 H new ATOM 0 HG3 GLN A 115 15.080 18.728 -7.127 1.00 70.00 H new ATOM 0 HE21 GLN A 115 13.511 18.843 -5.544 1.00 30.01 H new ATOM 0 HE22 GLN A 115 12.814 17.414 -4.773 1.00 30.01 H new ATOM 1826 N ARG A 116 16.751 16.585 -10.685 1.00 32.21 N ATOM 1827 CA ARG A 116 17.493 16.843 -11.913 1.00 4.34 C ATOM 1828 C ARG A 116 17.076 15.874 -13.015 1.00 22.24 C ATOM 1829 O ARG A 116 17.420 14.692 -12.978 1.00 12.20 O ATOM 1830 CB ARG A 116 18.997 16.727 -11.658 1.00 64.53 C ATOM 1831 CG ARG A 116 19.679 18.062 -11.409 1.00 55.45 C ATOM 1832 CD ARG A 116 20.575 18.456 -12.573 1.00 54.13 C ATOM 1833 NE ARG A 116 21.602 19.413 -12.173 1.00 43.53 N ATOM 1834 CZ ARG A 116 22.647 19.729 -12.930 1.00 64.01 C ATOM 1835 NH1 ARG A 116 22.802 19.166 -14.121 1.00 12.23 N ATOM 1836 NH2 ARG A 116 23.540 20.610 -12.497 1.00 24.53 N ATOM 0 H ARG A 116 17.156 15.861 -10.092 1.00 32.21 H new ATOM 0 HA ARG A 116 17.264 17.857 -12.240 1.00 4.34 H new ATOM 0 HB2 ARG A 116 19.162 16.079 -10.797 1.00 64.53 H new ATOM 0 HB3 ARG A 116 19.466 16.244 -12.515 1.00 64.53 H new ATOM 0 HG2 ARG A 116 18.925 18.833 -11.252 1.00 55.45 H new ATOM 0 HG3 ARG A 116 20.271 18.004 -10.496 1.00 55.45 H new ATOM 0 HD2 ARG A 116 21.050 17.565 -12.983 1.00 54.13 H new ATOM 0 HD3 ARG A 116 19.967 18.888 -13.368 1.00 54.13 H new ATOM 0 HE ARG A 116 21.512 19.864 -11.262 1.00 43.53 H new ATOM 0 HH11 ARG A 116 22.118 18.489 -14.458 1.00 12.23 H new ATOM 0 HH12 ARG A 116 23.605 19.411 -14.700 1.00 12.23 H new ATOM 0 HH21 ARG A 116 23.425 21.045 -11.582 1.00 24.53 H new ATOM 0 HH22 ARG A 116 24.342 20.852 -13.079 1.00 24.53 H new TER 1850 ARG A 116