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 89 THR OG1 : rot -96:sc= 0.892 USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= -1.75! F(o=-1.5,f=-0.86!) USER MOD Set 2.1: A 59 GLN :FLIP amide:sc= -4.4! C(o=-5.6!,f=-4.4!) USER MOD Set 2.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 39:sc= 0.184 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.00612 X(o=-0.0061,f=-0.15) USER MOD Single : A 14 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.022) USER MOD Single : A 15 LYS NZ :NH3+ -109:sc= 0.0576 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 18:sc= 0.319 USER MOD Single : A 22 ASN : amide:sc= -0.0108 K(o=-0.011,f=-1.7) USER MOD Single : A 23 ASN : amide:sc= -0.655 X(o=-0.65,f=-0.34) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 0.0744 (180deg=0.0203) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= -0.749 (180deg=-0.761) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -18:sc= -1.43 USER MOD Single : A 50 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.043) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0795 USER MOD Single : A 57 HIS : no HE2:sc= -1.92 X(o=-1.9,f=-1.8!) USER MOD Single : A 63 ASN : amide:sc= -2.83 K(o=-2.8,f=-5.7!) 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 68 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= -0.0112 (180deg=-0.159) USER MOD Single : A 74 LYS NZ :NH3+ 152:sc= 0.0165 (180deg=-0.171) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot -99:sc= 0.676 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.017) 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 91 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.71) USER MOD Single : A 93 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.27) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 73:sc= -0.398 USER MOD Single : A 98 SER OG : rot -25:sc= 0.192 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=-0.014) USER MOD Single : A 105 MET CE :methyl 161:sc= -1.23 (180deg=-2.47) USER MOD Single : A 107 CYS SG : rot 30:sc= 0.344 USER MOD Single : A 112 SER OG : rot 180:sc= -0.0703 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 32.083 6.391 18.395 1.00 22.44 N ATOM 2 CA PRO A 2 32.332 5.134 17.683 1.00 21.44 C ATOM 3 C PRO A 2 31.059 4.543 17.087 1.00 51.42 C ATOM 4 O PRO A 2 29.995 4.585 17.705 1.00 23.10 O ATOM 5 CB PRO A 2 32.889 4.213 18.772 1.00 11.34 C ATOM 6 CG PRO A 2 32.340 4.758 20.046 1.00 71.23 C ATOM 7 CD PRO A 2 32.243 6.246 19.852 1.00 30.21 C ATOM 0 HA PRO A 2 33.005 5.272 16.837 1.00 21.44 H new ATOM 0 HB2 PRO A 2 32.576 3.181 18.616 1.00 11.34 H new ATOM 0 HB3 PRO A 2 33.979 4.219 18.776 1.00 11.34 H new ATOM 0 HG2 PRO A 2 31.362 4.328 20.265 1.00 71.23 H new ATOM 0 HG3 PRO A 2 32.990 4.516 20.887 1.00 71.23 H new ATOM 0 HD2 PRO A 2 31.396 6.667 20.393 1.00 30.21 H new ATOM 0 HD3 PRO A 2 33.136 6.757 20.211 1.00 30.21 H new ATOM 15 N SER A 3 31.175 3.994 15.882 1.00 32.11 N ATOM 16 CA SER A 3 30.032 3.398 15.201 1.00 73.14 C ATOM 17 C SER A 3 30.490 2.390 14.151 1.00 40.55 C ATOM 18 O SER A 3 30.795 2.755 13.015 1.00 72.44 O ATOM 19 CB SER A 3 29.179 4.485 14.543 1.00 45.10 C ATOM 20 OG SER A 3 28.081 4.839 15.365 1.00 32.21 O ATOM 0 H SER A 3 32.049 3.950 15.358 1.00 32.11 H new ATOM 0 HA SER A 3 29.431 2.875 15.944 1.00 73.14 H new ATOM 0 HB2 SER A 3 29.792 5.366 14.350 1.00 45.10 H new ATOM 0 HB3 SER A 3 28.816 4.132 13.578 1.00 45.10 H new ATOM 0 HG SER A 3 28.366 4.856 16.302 1.00 32.21 H new ATOM 26 N LYS A 4 30.536 1.121 14.539 1.00 64.42 N ATOM 27 CA LYS A 4 30.956 0.058 13.633 1.00 71.11 C ATOM 28 C LYS A 4 30.033 -0.019 12.421 1.00 65.35 C ATOM 29 O LYS A 4 28.939 0.544 12.423 1.00 12.13 O ATOM 30 CB LYS A 4 30.970 -1.287 14.363 1.00 14.01 C ATOM 31 CG LYS A 4 31.965 -1.347 15.509 1.00 52.20 C ATOM 32 CD LYS A 4 33.380 -1.580 15.007 1.00 51.10 C ATOM 33 CE LYS A 4 34.221 -2.321 16.035 1.00 70.11 C ATOM 34 NZ LYS A 4 34.688 -1.419 17.124 1.00 33.11 N ATOM 0 H LYS A 4 30.287 0.803 15.476 1.00 64.42 H new ATOM 0 HA LYS A 4 31.964 0.287 13.287 1.00 71.11 H new ATOM 0 HB2 LYS A 4 29.971 -1.492 14.749 1.00 14.01 H new ATOM 0 HB3 LYS A 4 31.204 -2.076 13.648 1.00 14.01 H new ATOM 0 HG2 LYS A 4 31.927 -0.416 16.074 1.00 52.20 H new ATOM 0 HG3 LYS A 4 31.685 -2.147 16.194 1.00 52.20 H new ATOM 0 HD2 LYS A 4 33.349 -2.153 14.080 1.00 51.10 H new ATOM 0 HD3 LYS A 4 33.847 -0.623 14.775 1.00 51.10 H new ATOM 0 HE2 LYS A 4 33.637 -3.135 16.463 1.00 70.11 H new ATOM 0 HE3 LYS A 4 35.083 -2.772 15.542 1.00 70.11 H new ATOM 0 HZ1 LYS A 4 35.258 -1.962 17.804 1.00 33.11 H new ATOM 0 HZ2 LYS A 4 35.267 -0.656 16.719 1.00 33.11 H new ATOM 0 HZ3 LYS A 4 33.866 -1.008 17.611 1.00 33.11 H new ATOM 48 N LYS A 5 30.482 -0.722 11.386 1.00 52.45 N ATOM 49 CA LYS A 5 29.696 -0.876 10.167 1.00 41.41 C ATOM 50 C LYS A 5 29.596 -2.344 9.766 1.00 41.10 C ATOM 51 O LYS A 5 30.553 -3.103 9.911 1.00 21.02 O ATOM 52 CB LYS A 5 30.320 -0.066 9.028 1.00 70.23 C ATOM 53 CG LYS A 5 31.792 -0.365 8.805 1.00 45.21 C ATOM 54 CD LYS A 5 32.194 -0.141 7.357 1.00 40.53 C ATOM 55 CE LYS A 5 33.434 -0.942 6.992 1.00 61.14 C ATOM 56 NZ LYS A 5 33.520 -1.195 5.527 1.00 54.15 N ATOM 0 H LYS A 5 31.386 -1.194 11.367 1.00 52.45 H new ATOM 0 HA LYS A 5 28.691 -0.502 10.362 1.00 41.41 H new ATOM 0 HB2 LYS A 5 29.773 -0.269 8.107 1.00 70.23 H new ATOM 0 HB3 LYS A 5 30.202 0.996 9.242 1.00 70.23 H new ATOM 0 HG2 LYS A 5 32.395 0.270 9.453 1.00 45.21 H new ATOM 0 HG3 LYS A 5 32.001 -1.397 9.086 1.00 45.21 H new ATOM 0 HD2 LYS A 5 31.370 -0.425 6.702 1.00 40.53 H new ATOM 0 HD3 LYS A 5 32.383 0.920 7.191 1.00 40.53 H new ATOM 0 HE2 LYS A 5 34.323 -0.404 7.320 1.00 61.14 H new ATOM 0 HE3 LYS A 5 33.422 -1.893 7.525 1.00 61.14 H new ATOM 0 HZ1 LYS A 5 34.379 -1.744 5.319 1.00 54.15 H new ATOM 0 HZ2 LYS A 5 32.684 -1.730 5.217 1.00 54.15 H new ATOM 0 HZ3 LYS A 5 33.558 -0.288 5.020 1.00 54.15 H new ATOM 70 N ASN A 6 28.432 -2.736 9.260 1.00 75.33 N ATOM 71 CA ASN A 6 28.207 -4.114 8.837 1.00 44.03 C ATOM 72 C ASN A 6 27.353 -4.163 7.574 1.00 72.12 C ATOM 73 O ASN A 6 26.182 -3.785 7.589 1.00 62.04 O ATOM 74 CB ASN A 6 27.531 -4.909 9.955 1.00 34.01 C ATOM 75 CG ASN A 6 28.381 -6.068 10.437 1.00 65.10 C ATOM 76 OD1 ASN A 6 29.152 -6.647 9.671 1.00 25.04 O ATOM 77 ND2 ASN A 6 28.245 -6.412 11.712 1.00 35.42 N ATOM 0 H ASN A 6 27.630 -2.119 9.133 1.00 75.33 H new ATOM 0 HA ASN A 6 29.176 -4.563 8.616 1.00 44.03 H new ATOM 0 HB2 ASN A 6 27.319 -4.244 10.793 1.00 34.01 H new ATOM 0 HB3 ASN A 6 26.573 -5.288 9.599 1.00 34.01 H new ATOM 0 HD21 ASN A 6 28.792 -7.184 12.093 1.00 35.42 H new ATOM 0 HD22 ASN A 6 27.594 -5.904 12.311 1.00 35.42 H new ATOM 84 N GLY A 7 27.948 -4.633 6.481 1.00 15.31 N ATOM 85 CA GLY A 7 27.227 -4.723 5.225 1.00 75.31 C ATOM 86 C GLY A 7 26.317 -5.934 5.165 1.00 74.22 C ATOM 87 O GLY A 7 26.787 -7.071 5.127 1.00 21.22 O ATOM 0 H GLY A 7 28.916 -4.953 6.444 1.00 15.31 H new ATOM 0 HA2 GLY A 7 26.634 -3.819 5.084 1.00 75.31 H new ATOM 0 HA3 GLY A 7 27.941 -4.767 4.402 1.00 75.31 H new ATOM 91 N ARG A 8 25.010 -5.691 5.157 1.00 1.12 N ATOM 92 CA ARG A 8 24.032 -6.771 5.104 1.00 2.24 C ATOM 93 C ARG A 8 23.414 -6.877 3.713 1.00 25.32 C ATOM 94 O ARG A 8 23.583 -5.988 2.879 1.00 72.34 O ATOM 95 CB ARG A 8 22.934 -6.545 6.146 1.00 43.25 C ATOM 96 CG ARG A 8 22.672 -7.755 7.026 1.00 35.41 C ATOM 97 CD ARG A 8 21.691 -7.430 8.142 1.00 72.31 C ATOM 98 NE ARG A 8 22.348 -6.794 9.280 1.00 22.34 N ATOM 99 CZ ARG A 8 21.691 -6.204 10.273 1.00 63.32 C ATOM 100 NH1 ARG A 8 20.366 -6.170 10.267 1.00 51.12 N ATOM 101 NH2 ARG A 8 22.360 -5.648 11.274 1.00 3.54 N ATOM 0 H ARG A 8 24.604 -4.756 5.187 1.00 1.12 H new ATOM 0 HA ARG A 8 24.547 -7.705 5.326 1.00 2.24 H new ATOM 0 HB2 ARG A 8 23.212 -5.701 6.777 1.00 43.25 H new ATOM 0 HB3 ARG A 8 22.011 -6.271 5.635 1.00 43.25 H new ATOM 0 HG2 ARG A 8 22.277 -8.569 6.419 1.00 35.41 H new ATOM 0 HG3 ARG A 8 23.611 -8.104 7.456 1.00 35.41 H new ATOM 0 HD2 ARG A 8 20.911 -6.771 7.759 1.00 72.31 H new ATOM 0 HD3 ARG A 8 21.201 -8.346 8.472 1.00 72.31 H new ATOM 0 HE ARG A 8 23.367 -6.803 9.315 1.00 22.34 H new ATOM 0 HH11 ARG A 8 19.848 -6.597 9.499 1.00 51.12 H new ATOM 0 HH12 ARG A 8 19.864 -5.717 11.030 1.00 51.12 H new ATOM 0 HH21 ARG A 8 23.380 -5.673 11.282 1.00 3.54 H new ATOM 0 HH22 ARG A 8 21.855 -5.195 12.036 1.00 3.54 H new ATOM 115 N SER A 9 22.699 -7.971 3.471 1.00 64.31 N ATOM 116 CA SER A 9 22.060 -8.196 2.180 1.00 63.43 C ATOM 117 C SER A 9 20.562 -8.432 2.349 1.00 64.22 C ATOM 118 O SER A 9 20.115 -8.941 3.375 1.00 33.24 O ATOM 119 CB SER A 9 22.700 -9.393 1.472 1.00 54.40 C ATOM 120 OG SER A 9 22.111 -10.610 1.895 1.00 33.02 O ATOM 0 H SER A 9 22.548 -8.715 4.152 1.00 64.31 H new ATOM 0 HA SER A 9 22.203 -7.303 1.571 1.00 63.43 H new ATOM 0 HB2 SER A 9 22.585 -9.285 0.393 1.00 54.40 H new ATOM 0 HB3 SER A 9 23.770 -9.412 1.678 1.00 54.40 H new ATOM 0 HG SER A 9 22.536 -11.359 1.427 1.00 33.02 H new ATOM 126 N GLY A 10 19.792 -8.057 1.332 1.00 61.21 N ATOM 127 CA GLY A 10 18.353 -8.235 1.387 1.00 72.13 C ATOM 128 C GLY A 10 17.598 -6.962 1.057 1.00 64.53 C ATOM 129 O GLY A 10 18.188 -5.900 0.856 1.00 32.24 O ATOM 0 H GLY A 10 20.139 -7.633 0.471 1.00 61.21 H new ATOM 0 HA2 GLY A 10 18.060 -9.019 0.689 1.00 72.13 H new ATOM 0 HA3 GLY A 10 18.070 -8.574 2.384 1.00 72.13 H new ATOM 133 N PRO A 11 16.262 -7.061 0.994 1.00 22.35 N ATOM 134 CA PRO A 11 15.397 -5.919 0.685 1.00 5.32 C ATOM 135 C PRO A 11 15.367 -4.893 1.813 1.00 41.31 C ATOM 136 O PRO A 11 15.508 -5.242 2.985 1.00 54.54 O ATOM 137 CB PRO A 11 14.018 -6.557 0.505 1.00 13.53 C ATOM 138 CG PRO A 11 14.072 -7.810 1.309 1.00 62.05 C ATOM 139 CD PRO A 11 15.493 -8.296 1.222 1.00 54.11 C ATOM 0 HA PRO A 11 15.744 -5.369 -0.190 1.00 5.32 H new ATOM 0 HB2 PRO A 11 13.227 -5.895 0.857 1.00 13.53 H new ATOM 0 HB3 PRO A 11 13.814 -6.769 -0.545 1.00 13.53 H new ATOM 0 HG2 PRO A 11 13.786 -7.622 2.344 1.00 62.05 H new ATOM 0 HG3 PRO A 11 13.380 -8.555 0.917 1.00 62.05 H new ATOM 0 HD2 PRO A 11 15.803 -8.799 2.138 1.00 54.11 H new ATOM 0 HD3 PRO A 11 15.625 -9.008 0.407 1.00 54.11 H new ATOM 147 N GLN A 12 15.183 -3.627 1.451 1.00 75.34 N ATOM 148 CA GLN A 12 15.134 -2.551 2.433 1.00 21.23 C ATOM 149 C GLN A 12 13.752 -1.907 2.468 1.00 61.04 C ATOM 150 O GLN A 12 12.960 -2.030 1.533 1.00 12.22 O ATOM 151 CB GLN A 12 16.194 -1.495 2.117 1.00 44.01 C ATOM 152 CG GLN A 12 17.521 -1.736 2.818 1.00 4.01 C ATOM 153 CD GLN A 12 18.713 -1.487 1.914 1.00 12.23 C ATOM 154 OE1 GLN A 12 18.788 -2.019 0.806 1.00 1.34 O ATOM 155 NE2 GLN A 12 19.652 -0.674 2.383 1.00 2.04 N ATOM 0 H GLN A 12 15.065 -3.322 0.485 1.00 75.34 H new ATOM 0 HA GLN A 12 15.339 -2.980 3.414 1.00 21.23 H new ATOM 0 HB2 GLN A 12 16.361 -1.471 1.040 1.00 44.01 H new ATOM 0 HB3 GLN A 12 15.814 -0.514 2.403 1.00 44.01 H new ATOM 0 HG2 GLN A 12 17.590 -1.086 3.691 1.00 4.01 H new ATOM 0 HG3 GLN A 12 17.554 -2.763 3.182 1.00 4.01 H new ATOM 0 HE21 GLN A 12 19.549 -0.255 3.307 1.00 2.04 H new ATOM 0 HE22 GLN A 12 20.477 -0.468 1.819 1.00 2.04 H new ATOM 164 N PRO A 13 13.454 -1.204 3.570 1.00 13.30 N ATOM 165 CA PRO A 13 12.167 -0.526 3.752 1.00 33.15 C ATOM 166 C PRO A 13 12.007 0.674 2.825 1.00 34.40 C ATOM 167 O PRO A 13 12.975 1.373 2.525 1.00 31.21 O ATOM 168 CB PRO A 13 12.209 -0.071 5.213 1.00 5.23 C ATOM 169 CG PRO A 13 13.660 0.049 5.530 1.00 1.42 C ATOM 170 CD PRO A 13 14.350 -1.015 4.723 1.00 30.41 C ATOM 0 HA PRO A 13 11.326 -1.179 3.518 1.00 33.15 H new ATOM 0 HB2 PRO A 13 11.694 0.881 5.346 1.00 5.23 H new ATOM 0 HB3 PRO A 13 11.719 -0.793 5.867 1.00 5.23 H new ATOM 0 HG2 PRO A 13 14.035 1.039 5.272 1.00 1.42 H new ATOM 0 HG3 PRO A 13 13.839 -0.092 6.596 1.00 1.42 H new ATOM 0 HD2 PRO A 13 15.346 -0.700 4.411 1.00 30.41 H new ATOM 0 HD3 PRO A 13 14.471 -1.936 5.293 1.00 30.41 H new ATOM 178 N HIS A 14 10.778 0.907 2.374 1.00 43.23 N ATOM 179 CA HIS A 14 10.492 2.024 1.481 1.00 55.25 C ATOM 180 C HIS A 14 9.282 2.815 1.970 1.00 3.05 C ATOM 181 O HIS A 14 8.664 2.465 2.976 1.00 3.33 O ATOM 182 CB HIS A 14 10.243 1.517 0.060 1.00 55.54 C ATOM 183 CG HIS A 14 11.361 0.682 -0.483 1.00 32.21 C ATOM 184 ND1 HIS A 14 11.253 -0.677 -0.689 1.00 70.25 N ATOM 185 CD2 HIS A 14 12.615 1.020 -0.864 1.00 12.42 C ATOM 186 CE1 HIS A 14 12.393 -1.139 -1.172 1.00 52.22 C ATOM 187 NE2 HIS A 14 13.236 -0.129 -1.288 1.00 13.51 N ATOM 0 H HIS A 14 9.966 0.338 2.612 1.00 43.23 H new ATOM 0 HA HIS A 14 11.359 2.685 1.477 1.00 55.25 H new ATOM 0 HB2 HIS A 14 9.324 0.931 0.048 1.00 55.54 H new ATOM 0 HB3 HIS A 14 10.085 2.371 -0.599 1.00 55.54 H new ATOM 0 HD2 HIS A 14 13.047 2.010 -0.839 1.00 12.42 H new ATOM 0 HE1 HIS A 14 12.600 -2.168 -1.428 1.00 52.22 H new ATOM 0 HE2 HIS A 14 14.193 -0.192 -1.636 1.00 13.51 H new ATOM 195 N LYS A 15 8.950 3.883 1.254 1.00 41.33 N ATOM 196 CA LYS A 15 7.815 4.724 1.614 1.00 10.41 C ATOM 197 C LYS A 15 6.621 4.445 0.707 1.00 31.31 C ATOM 198 O LYS A 15 5.697 5.253 0.614 1.00 44.40 O ATOM 199 CB LYS A 15 8.201 6.203 1.526 1.00 72.34 C ATOM 200 CG LYS A 15 8.887 6.575 0.223 1.00 41.31 C ATOM 201 CD LYS A 15 10.332 6.987 0.452 1.00 54.34 C ATOM 202 CE LYS A 15 11.234 6.501 -0.672 1.00 25.24 C ATOM 203 NZ LYS A 15 12.660 6.861 -0.433 1.00 54.02 N ATOM 0 H LYS A 15 9.452 4.187 0.420 1.00 41.33 H new ATOM 0 HA LYS A 15 7.532 4.489 2.640 1.00 10.41 H new ATOM 0 HB2 LYS A 15 7.304 6.812 1.642 1.00 72.34 H new ATOM 0 HB3 LYS A 15 8.862 6.448 2.358 1.00 72.34 H new ATOM 0 HG2 LYS A 15 8.853 5.728 -0.462 1.00 41.31 H new ATOM 0 HG3 LYS A 15 8.346 7.392 -0.254 1.00 41.31 H new ATOM 0 HD2 LYS A 15 10.395 8.073 0.527 1.00 54.34 H new ATOM 0 HD3 LYS A 15 10.681 6.581 1.402 1.00 54.34 H new ATOM 0 HE2 LYS A 15 11.144 5.419 -0.768 1.00 25.24 H new ATOM 0 HE3 LYS A 15 10.903 6.934 -1.616 1.00 25.24 H new ATOM 0 HZ1 LYS A 15 12.947 7.605 -1.100 1.00 54.02 H new ATOM 0 HZ2 LYS A 15 12.772 7.207 0.541 1.00 54.02 H new ATOM 0 HZ3 LYS A 15 13.258 6.022 -0.573 1.00 54.02 H new ATOM 217 N ARG A 16 6.646 3.294 0.042 1.00 54.53 N ATOM 218 CA ARG A 16 5.565 2.909 -0.857 1.00 72.44 C ATOM 219 C ARG A 16 5.269 1.416 -0.743 1.00 10.03 C ATOM 220 O ARG A 16 6.169 0.584 -0.857 1.00 43.42 O ATOM 221 CB ARG A 16 5.925 3.258 -2.302 1.00 43.33 C ATOM 222 CG ARG A 16 6.139 4.745 -2.534 1.00 14.31 C ATOM 223 CD ARG A 16 6.333 5.057 -4.010 1.00 22.04 C ATOM 224 NE ARG A 16 7.330 4.186 -4.626 1.00 63.00 N ATOM 225 CZ ARG A 16 7.418 3.981 -5.936 1.00 3.34 C ATOM 226 NH1 ARG A 16 6.574 4.582 -6.762 1.00 53.51 N ATOM 227 NH2 ARG A 16 8.353 3.174 -6.421 1.00 1.31 N ATOM 0 H ARG A 16 7.402 2.613 0.109 1.00 54.53 H new ATOM 0 HA ARG A 16 4.672 3.463 -0.568 1.00 72.44 H new ATOM 0 HB2 ARG A 16 6.831 2.721 -2.582 1.00 43.33 H new ATOM 0 HB3 ARG A 16 5.131 2.907 -2.960 1.00 43.33 H new ATOM 0 HG2 ARG A 16 5.282 5.301 -2.153 1.00 14.31 H new ATOM 0 HG3 ARG A 16 7.011 5.080 -1.973 1.00 14.31 H new ATOM 0 HD2 ARG A 16 5.383 4.946 -4.532 1.00 22.04 H new ATOM 0 HD3 ARG A 16 6.640 6.097 -4.124 1.00 22.04 H new ATOM 0 HE ARG A 16 7.995 3.709 -4.018 1.00 63.00 H new ATOM 0 HH11 ARG A 16 5.855 5.204 -6.393 1.00 53.51 H new ATOM 0 HH12 ARG A 16 6.644 4.423 -7.767 1.00 53.51 H new ATOM 0 HH21 ARG A 16 9.005 2.710 -5.788 1.00 1.31 H new ATOM 0 HH22 ARG A 16 8.420 3.017 -7.427 1.00 1.31 H new ATOM 241 N TRP A 17 4.003 1.085 -0.516 1.00 0.13 N ATOM 242 CA TRP A 17 3.589 -0.307 -0.385 1.00 31.31 C ATOM 243 C TRP A 17 2.144 -0.490 -0.835 1.00 15.24 C ATOM 244 O TRP A 17 1.271 0.308 -0.491 1.00 33.52 O ATOM 245 CB TRP A 17 3.748 -0.774 1.063 1.00 64.42 C ATOM 246 CG TRP A 17 5.176 -0.996 1.462 1.00 42.44 C ATOM 247 CD1 TRP A 17 6.000 -0.104 2.087 1.00 41.44 C ATOM 248 CD2 TRP A 17 5.948 -2.185 1.261 1.00 54.22 C ATOM 249 NE1 TRP A 17 7.237 -0.667 2.286 1.00 5.33 N ATOM 250 CE2 TRP A 17 7.231 -1.943 1.789 1.00 32.24 C ATOM 251 CE3 TRP A 17 5.679 -3.431 0.688 1.00 40.31 C ATOM 252 CZ2 TRP A 17 8.240 -2.902 1.760 1.00 43.43 C ATOM 253 CZ3 TRP A 17 6.682 -4.381 0.659 1.00 41.21 C ATOM 254 CH2 TRP A 17 7.950 -4.113 1.193 1.00 54.43 C ATOM 0 H TRP A 17 3.246 1.761 -0.419 1.00 0.13 H new ATOM 0 HA TRP A 17 4.229 -0.912 -1.027 1.00 31.31 H new ATOM 0 HB2 TRP A 17 3.304 -0.033 1.727 1.00 64.42 H new ATOM 0 HB3 TRP A 17 3.191 -1.701 1.202 1.00 64.42 H new ATOM 0 HD1 TRP A 17 5.720 0.897 2.381 1.00 41.44 H new ATOM 0 HE1 TRP A 17 8.032 -0.209 2.732 1.00 5.33 H new ATOM 0 HE3 TRP A 17 4.705 -3.647 0.275 1.00 40.31 H new ATOM 0 HZ2 TRP A 17 9.218 -2.697 2.171 1.00 43.43 H new ATOM 0 HZ3 TRP A 17 6.486 -5.347 0.217 1.00 41.21 H new ATOM 0 HH2 TRP A 17 8.713 -4.877 1.156 1.00 54.43 H new ATOM 265 N VAL A 18 1.897 -1.544 -1.605 1.00 75.51 N ATOM 266 CA VAL A 18 0.556 -1.832 -2.101 1.00 32.03 C ATOM 267 C VAL A 18 -0.030 -3.063 -1.418 1.00 50.02 C ATOM 268 O VAL A 18 0.696 -3.867 -0.833 1.00 44.33 O ATOM 269 CB VAL A 18 0.557 -2.055 -3.625 1.00 34.23 C ATOM 270 CG1 VAL A 18 1.092 -0.826 -4.344 1.00 73.41 C ATOM 271 CG2 VAL A 18 1.371 -3.289 -3.982 1.00 25.24 C ATOM 0 H VAL A 18 2.608 -2.213 -1.899 1.00 75.51 H new ATOM 0 HA VAL A 18 -0.061 -0.964 -1.869 1.00 32.03 H new ATOM 0 HB VAL A 18 -0.470 -2.219 -3.952 1.00 34.23 H new ATOM 0 HG11 VAL A 18 1.085 -1.002 -5.420 1.00 73.41 H new ATOM 0 HG12 VAL A 18 0.463 0.033 -4.113 1.00 73.41 H new ATOM 0 HG13 VAL A 18 2.112 -0.627 -4.015 1.00 73.41 H new ATOM 0 HG21 VAL A 18 1.361 -3.431 -5.063 1.00 25.24 H new ATOM 0 HG22 VAL A 18 2.399 -3.158 -3.643 1.00 25.24 H new ATOM 0 HG23 VAL A 18 0.938 -4.164 -3.497 1.00 25.24 H new ATOM 281 N PHE A 19 -1.349 -3.205 -1.497 1.00 40.11 N ATOM 282 CA PHE A 19 -2.034 -4.338 -0.886 1.00 62.44 C ATOM 283 C PHE A 19 -3.081 -4.916 -1.834 1.00 14.42 C ATOM 284 O PHE A 19 -3.730 -4.184 -2.582 1.00 51.42 O ATOM 285 CB PHE A 19 -2.695 -3.915 0.426 1.00 15.55 C ATOM 286 CG PHE A 19 -3.550 -2.686 0.298 1.00 44.30 C ATOM 287 CD1 PHE A 19 -2.979 -1.423 0.325 1.00 31.44 C ATOM 288 CD2 PHE A 19 -4.923 -2.793 0.150 1.00 31.03 C ATOM 289 CE1 PHE A 19 -3.762 -0.291 0.207 1.00 51.50 C ATOM 290 CE2 PHE A 19 -5.711 -1.664 0.031 1.00 51.10 C ATOM 291 CZ PHE A 19 -5.130 -0.411 0.061 1.00 71.14 C ATOM 0 H PHE A 19 -1.965 -2.550 -1.978 1.00 40.11 H new ATOM 0 HA PHE A 19 -1.293 -5.109 -0.678 1.00 62.44 H new ATOM 0 HB2 PHE A 19 -3.308 -4.737 0.796 1.00 15.55 H new ATOM 0 HB3 PHE A 19 -1.921 -3.733 1.171 1.00 15.55 H new ATOM 0 HD1 PHE A 19 -1.910 -1.323 0.440 1.00 31.44 H new ATOM 0 HD2 PHE A 19 -5.383 -3.770 0.127 1.00 31.03 H new ATOM 0 HE1 PHE A 19 -3.305 0.687 0.229 1.00 51.50 H new ATOM 0 HE2 PHE A 19 -6.780 -1.761 -0.085 1.00 51.10 H new ATOM 0 HZ PHE A 19 -5.744 0.473 -0.030 1.00 71.14 H new ATOM 301 N THR A 20 -3.241 -6.235 -1.797 1.00 13.02 N ATOM 302 CA THR A 20 -4.208 -6.912 -2.652 1.00 62.01 C ATOM 303 C THR A 20 -4.753 -8.167 -1.980 1.00 11.34 C ATOM 304 O THR A 20 -3.991 -9.010 -1.505 1.00 73.54 O ATOM 305 CB THR A 20 -3.585 -7.299 -4.007 1.00 10.12 C ATOM 306 OG1 THR A 20 -2.584 -8.305 -3.816 1.00 72.24 O ATOM 307 CG2 THR A 20 -2.968 -6.085 -4.685 1.00 53.02 C ATOM 0 H THR A 20 -2.713 -6.856 -1.184 1.00 13.02 H new ATOM 0 HA THR A 20 -5.025 -6.211 -2.822 1.00 62.01 H new ATOM 0 HB THR A 20 -4.376 -7.690 -4.647 1.00 10.12 H new ATOM 0 HG1 THR A 20 -2.704 -8.723 -2.938 1.00 72.24 H new ATOM 0 HG21 THR A 20 -2.534 -6.383 -5.640 1.00 53.02 H new ATOM 0 HG22 THR A 20 -3.738 -5.333 -4.855 1.00 53.02 H new ATOM 0 HG23 THR A 20 -2.189 -5.669 -4.047 1.00 53.02 H new ATOM 315 N LEU A 21 -6.076 -8.285 -1.942 1.00 3.52 N ATOM 316 CA LEU A 21 -6.724 -9.438 -1.327 1.00 62.14 C ATOM 317 C LEU A 21 -7.928 -9.888 -2.149 1.00 3.11 C ATOM 318 O LEU A 21 -8.715 -9.066 -2.616 1.00 21.01 O ATOM 319 CB LEU A 21 -7.162 -9.102 0.099 1.00 14.20 C ATOM 320 CG LEU A 21 -7.741 -10.259 0.914 1.00 72.03 C ATOM 321 CD1 LEU A 21 -6.744 -10.724 1.964 1.00 52.31 C ATOM 322 CD2 LEU A 21 -9.053 -9.848 1.566 1.00 32.20 C ATOM 0 H LEU A 21 -6.721 -7.596 -2.330 1.00 3.52 H new ATOM 0 HA LEU A 21 -6.003 -10.255 -1.295 1.00 62.14 H new ATOM 0 HB2 LEU A 21 -6.303 -8.700 0.636 1.00 14.20 H new ATOM 0 HB3 LEU A 21 -7.908 -8.309 0.051 1.00 14.20 H new ATOM 0 HG LEU A 21 -7.939 -11.091 0.238 1.00 72.03 H new ATOM 0 HD11 LEU A 21 -7.174 -11.548 2.534 1.00 52.31 H new ATOM 0 HD12 LEU A 21 -5.830 -11.059 1.474 1.00 52.31 H new ATOM 0 HD13 LEU A 21 -6.513 -9.898 2.637 1.00 52.31 H new ATOM 0 HD21 LEU A 21 -9.451 -10.684 2.142 1.00 32.20 H new ATOM 0 HD22 LEU A 21 -8.880 -9.000 2.229 1.00 32.20 H new ATOM 0 HD23 LEU A 21 -9.770 -9.565 0.795 1.00 32.20 H new ATOM 334 N ASN A 22 -8.065 -11.199 -2.319 1.00 43.13 N ATOM 335 CA ASN A 22 -9.174 -11.759 -3.083 1.00 41.42 C ATOM 336 C ASN A 22 -10.426 -11.874 -2.219 1.00 21.10 C ATOM 337 O ASN A 22 -10.367 -12.343 -1.083 1.00 73.33 O ATOM 338 CB ASN A 22 -8.796 -13.133 -3.639 1.00 4.10 C ATOM 339 CG ASN A 22 -9.374 -13.378 -5.019 1.00 53.32 C ATOM 340 OD1 ASN A 22 -10.448 -12.876 -5.352 1.00 73.30 O ATOM 341 ND2 ASN A 22 -8.663 -14.152 -5.830 1.00 61.20 N ATOM 0 H ASN A 22 -7.422 -11.893 -1.938 1.00 43.13 H new ATOM 0 HA ASN A 22 -9.387 -11.086 -3.913 1.00 41.42 H new ATOM 0 HB2 ASN A 22 -7.710 -13.218 -3.683 1.00 4.10 H new ATOM 0 HB3 ASN A 22 -9.149 -13.907 -2.958 1.00 4.10 H new ATOM 0 HD21 ASN A 22 -9.002 -14.352 -6.771 1.00 61.20 H new ATOM 0 HD22 ASN A 22 -7.778 -14.547 -5.512 1.00 61.20 H new ATOM 348 N ASN A 23 -11.558 -11.443 -2.766 1.00 61.22 N ATOM 349 CA ASN A 23 -12.825 -11.498 -2.046 1.00 24.34 C ATOM 350 C ASN A 23 -12.693 -10.863 -0.665 1.00 11.21 C ATOM 351 O ASN A 23 -12.803 -11.528 0.365 1.00 20.22 O ATOM 352 CB ASN A 23 -13.295 -12.948 -1.910 1.00 12.25 C ATOM 353 CG ASN A 23 -14.596 -13.063 -1.139 1.00 33.30 C ATOM 354 OD1 ASN A 23 -14.737 -13.915 -0.261 1.00 11.41 O ATOM 355 ND2 ASN A 23 -15.555 -12.205 -1.465 1.00 53.35 N ATOM 0 H ASN A 23 -11.624 -11.052 -3.706 1.00 61.22 H new ATOM 0 HA ASN A 23 -13.564 -10.935 -2.616 1.00 24.34 H new ATOM 0 HB2 ASN A 23 -13.424 -13.380 -2.902 1.00 12.25 H new ATOM 0 HB3 ASN A 23 -12.524 -13.531 -1.406 1.00 12.25 H new ATOM 0 HD21 ASN A 23 -16.452 -12.235 -0.981 1.00 53.35 H new ATOM 0 HD22 ASN A 23 -15.394 -11.515 -2.199 1.00 53.35 H new ATOM 362 N PRO A 24 -12.453 -9.543 -0.641 1.00 64.42 N ATOM 363 CA PRO A 24 -12.302 -8.788 0.606 1.00 30.53 C ATOM 364 C PRO A 24 -13.616 -8.662 1.369 1.00 11.24 C ATOM 365 O PRO A 24 -14.678 -8.489 0.771 1.00 10.23 O ATOM 366 CB PRO A 24 -11.824 -7.413 0.133 1.00 23.52 C ATOM 367 CG PRO A 24 -12.332 -7.295 -1.262 1.00 61.02 C ATOM 368 CD PRO A 24 -12.310 -8.687 -1.831 1.00 23.04 C ATOM 0 HA PRO A 24 -11.617 -9.277 1.298 1.00 30.53 H new ATOM 0 HB2 PRO A 24 -12.217 -6.618 0.766 1.00 23.52 H new ATOM 0 HB3 PRO A 24 -10.737 -7.339 0.166 1.00 23.52 H new ATOM 0 HG2 PRO A 24 -13.341 -6.884 -1.276 1.00 61.02 H new ATOM 0 HG3 PRO A 24 -11.706 -6.623 -1.850 1.00 61.02 H new ATOM 0 HD2 PRO A 24 -13.123 -8.845 -2.540 1.00 23.04 H new ATOM 0 HD3 PRO A 24 -11.380 -8.889 -2.363 1.00 23.04 H new ATOM 376 N SER A 25 -13.537 -8.749 2.693 1.00 10.44 N ATOM 377 CA SER A 25 -14.721 -8.647 3.538 1.00 12.12 C ATOM 378 C SER A 25 -14.954 -7.204 3.976 1.00 23.13 C ATOM 379 O SER A 25 -14.031 -6.390 3.980 1.00 55.43 O ATOM 380 CB SER A 25 -14.576 -9.548 4.766 1.00 14.33 C ATOM 381 OG SER A 25 -15.670 -10.443 4.874 1.00 43.11 O ATOM 0 H SER A 25 -12.665 -8.890 3.204 1.00 10.44 H new ATOM 0 HA SER A 25 -15.582 -8.975 2.955 1.00 12.12 H new ATOM 0 HB2 SER A 25 -13.646 -10.112 4.699 1.00 14.33 H new ATOM 0 HB3 SER A 25 -14.513 -8.935 5.665 1.00 14.33 H new ATOM 0 HG SER A 25 -15.553 -11.009 5.666 1.00 43.11 H new ATOM 387 N GLU A 26 -16.193 -6.897 4.345 1.00 14.32 N ATOM 388 CA GLU A 26 -16.548 -5.552 4.784 1.00 23.14 C ATOM 389 C GLU A 26 -15.699 -5.129 5.980 1.00 44.34 C ATOM 390 O GLU A 26 -15.421 -3.944 6.169 1.00 63.44 O ATOM 391 CB GLU A 26 -18.032 -5.486 5.150 1.00 1.32 C ATOM 392 CG GLU A 26 -18.856 -4.633 4.200 1.00 64.35 C ATOM 393 CD GLU A 26 -20.029 -3.961 4.886 1.00 24.01 C ATOM 394 OE1 GLU A 26 -21.034 -4.652 5.153 1.00 13.21 O ATOM 395 OE2 GLU A 26 -19.941 -2.745 5.156 1.00 33.02 O ATOM 0 H GLU A 26 -16.968 -7.561 4.349 1.00 14.32 H new ATOM 0 HA GLU A 26 -16.353 -4.865 3.960 1.00 23.14 H new ATOM 0 HB2 GLU A 26 -18.440 -6.497 5.163 1.00 1.32 H new ATOM 0 HB3 GLU A 26 -18.131 -5.089 6.160 1.00 1.32 H new ATOM 0 HG2 GLU A 26 -18.216 -3.872 3.754 1.00 64.35 H new ATOM 0 HG3 GLU A 26 -19.225 -5.256 3.386 1.00 64.35 H new ATOM 402 N ASP A 27 -15.290 -6.105 6.783 1.00 15.30 N ATOM 403 CA ASP A 27 -14.473 -5.835 7.960 1.00 43.41 C ATOM 404 C ASP A 27 -13.053 -5.448 7.558 1.00 63.41 C ATOM 405 O ASP A 27 -12.513 -4.451 8.034 1.00 1.53 O ATOM 406 CB ASP A 27 -14.441 -7.058 8.877 1.00 35.03 C ATOM 407 CG ASP A 27 -15.621 -7.098 9.829 1.00 71.53 C ATOM 408 OD1 ASP A 27 -15.977 -6.035 10.377 1.00 10.13 O ATOM 409 OD2 ASP A 27 -16.188 -8.194 10.025 1.00 21.04 O ATOM 0 H ASP A 27 -15.511 -7.090 6.640 1.00 15.30 H new ATOM 0 HA ASP A 27 -14.920 -4.999 8.498 1.00 43.41 H new ATOM 0 HB2 ASP A 27 -14.436 -7.964 8.270 1.00 35.03 H new ATOM 0 HB3 ASP A 27 -13.514 -7.054 9.451 1.00 35.03 H new ATOM 414 N GLU A 28 -12.454 -6.246 6.679 1.00 21.54 N ATOM 415 CA GLU A 28 -11.096 -5.988 6.216 1.00 62.24 C ATOM 416 C GLU A 28 -11.018 -4.656 5.476 1.00 44.21 C ATOM 417 O GLU A 28 -10.145 -3.832 5.750 1.00 63.01 O ATOM 418 CB GLU A 28 -10.621 -7.120 5.302 1.00 74.03 C ATOM 419 CG GLU A 28 -9.410 -7.866 5.836 1.00 72.25 C ATOM 420 CD GLU A 28 -8.140 -7.041 5.768 1.00 40.12 C ATOM 421 OE1 GLU A 28 -8.213 -5.872 5.334 1.00 34.30 O ATOM 422 OE2 GLU A 28 -7.072 -7.564 6.149 1.00 31.42 O ATOM 0 H GLU A 28 -12.888 -7.076 6.274 1.00 21.54 H new ATOM 0 HA GLU A 28 -10.445 -5.938 7.089 1.00 62.24 H new ATOM 0 HB2 GLU A 28 -11.438 -7.827 5.158 1.00 74.03 H new ATOM 0 HB3 GLU A 28 -10.380 -6.708 4.322 1.00 74.03 H new ATOM 0 HG2 GLU A 28 -9.594 -8.158 6.870 1.00 72.25 H new ATOM 0 HG3 GLU A 28 -9.273 -8.785 5.265 1.00 72.25 H new ATOM 429 N ARG A 29 -11.936 -4.452 4.537 1.00 21.20 N ATOM 430 CA ARG A 29 -11.970 -3.221 3.756 1.00 35.53 C ATOM 431 C ARG A 29 -12.217 -2.014 4.656 1.00 54.23 C ATOM 432 O ARG A 29 -11.734 -0.914 4.384 1.00 21.54 O ATOM 433 CB ARG A 29 -13.058 -3.303 2.684 1.00 74.11 C ATOM 434 CG ARG A 29 -12.643 -4.092 1.453 1.00 25.33 C ATOM 435 CD ARG A 29 -13.851 -4.616 0.693 1.00 42.34 C ATOM 436 NE ARG A 29 -14.761 -3.542 0.306 1.00 54.53 N ATOM 437 CZ ARG A 29 -15.873 -3.737 -0.395 1.00 42.01 C ATOM 438 NH1 ARG A 29 -16.209 -4.959 -0.783 1.00 75.22 N ATOM 439 NH2 ARG A 29 -16.650 -2.708 -0.709 1.00 34.54 N ATOM 0 H ARG A 29 -12.666 -5.123 4.298 1.00 21.20 H new ATOM 0 HA ARG A 29 -11.001 -3.099 3.272 1.00 35.53 H new ATOM 0 HB2 ARG A 29 -13.948 -3.761 3.116 1.00 74.11 H new ATOM 0 HB3 ARG A 29 -13.335 -2.293 2.381 1.00 74.11 H new ATOM 0 HG2 ARG A 29 -12.046 -3.458 0.797 1.00 25.33 H new ATOM 0 HG3 ARG A 29 -12.009 -4.927 1.752 1.00 25.33 H new ATOM 0 HD2 ARG A 29 -13.516 -5.147 -0.198 1.00 42.34 H new ATOM 0 HD3 ARG A 29 -14.384 -5.337 1.312 1.00 42.34 H new ATOM 0 HE ARG A 29 -14.531 -2.590 0.589 1.00 54.53 H new ATOM 0 HH11 ARG A 29 -15.614 -5.752 -0.544 1.00 75.22 H new ATOM 0 HH12 ARG A 29 -17.063 -5.107 -1.321 1.00 75.22 H new ATOM 0 HH21 ARG A 29 -16.394 -1.766 -0.412 1.00 34.54 H new ATOM 0 HH22 ARG A 29 -17.503 -2.859 -1.247 1.00 34.54 H new ATOM 453 N LYS A 30 -12.974 -2.226 5.727 1.00 2.44 N ATOM 454 CA LYS A 30 -13.285 -1.156 6.668 1.00 33.11 C ATOM 455 C LYS A 30 -12.048 -0.754 7.464 1.00 43.43 C ATOM 456 O LYS A 30 -11.821 0.428 7.724 1.00 51.33 O ATOM 457 CB LYS A 30 -14.397 -1.596 7.623 1.00 74.43 C ATOM 458 CG LYS A 30 -15.792 -1.239 7.138 1.00 2.13 C ATOM 459 CD LYS A 30 -16.862 -1.790 8.065 1.00 15.43 C ATOM 460 CE LYS A 30 -17.930 -0.748 8.365 1.00 70.44 C ATOM 461 NZ LYS A 30 -18.816 -0.509 7.192 1.00 63.14 N ATOM 0 H LYS A 30 -13.384 -3.129 5.965 1.00 2.44 H new ATOM 0 HA LYS A 30 -13.625 -0.292 6.097 1.00 33.11 H new ATOM 0 HB2 LYS A 30 -14.336 -2.675 7.766 1.00 74.43 H new ATOM 0 HB3 LYS A 30 -14.231 -1.136 8.597 1.00 74.43 H new ATOM 0 HG2 LYS A 30 -15.889 -0.155 7.072 1.00 2.13 H new ATOM 0 HG3 LYS A 30 -15.941 -1.634 6.133 1.00 2.13 H new ATOM 0 HD2 LYS A 30 -17.324 -2.666 7.609 1.00 15.43 H new ATOM 0 HD3 LYS A 30 -16.403 -2.121 8.997 1.00 15.43 H new ATOM 0 HE2 LYS A 30 -18.531 -1.077 9.213 1.00 70.44 H new ATOM 0 HE3 LYS A 30 -17.453 0.188 8.657 1.00 70.44 H new ATOM 0 HZ1 LYS A 30 -19.705 -0.075 7.512 1.00 63.14 H new ATOM 0 HZ2 LYS A 30 -18.341 0.129 6.522 1.00 63.14 H new ATOM 0 HZ3 LYS A 30 -19.021 -1.414 6.722 1.00 63.14 H new ATOM 475 N LYS A 31 -11.248 -1.744 7.847 1.00 55.53 N ATOM 476 CA LYS A 31 -10.032 -1.493 8.610 1.00 22.33 C ATOM 477 C LYS A 31 -9.055 -0.637 7.811 1.00 5.25 C ATOM 478 O LYS A 31 -8.574 0.388 8.296 1.00 43.00 O ATOM 479 CB LYS A 31 -9.368 -2.816 8.998 1.00 24.35 C ATOM 480 CG LYS A 31 -7.969 -2.651 9.568 1.00 52.32 C ATOM 481 CD LYS A 31 -7.368 -3.988 9.968 1.00 51.32 C ATOM 482 CE LYS A 31 -6.339 -4.462 8.954 1.00 45.24 C ATOM 483 NZ LYS A 31 -6.905 -4.527 7.578 1.00 65.12 N ATOM 0 H LYS A 31 -11.421 -2.728 7.641 1.00 55.53 H new ATOM 0 HA LYS A 31 -10.306 -0.951 9.515 1.00 22.33 H new ATOM 0 HB2 LYS A 31 -9.993 -3.325 9.732 1.00 24.35 H new ATOM 0 HB3 LYS A 31 -9.320 -3.460 8.120 1.00 24.35 H new ATOM 0 HG2 LYS A 31 -7.329 -2.170 8.829 1.00 52.32 H new ATOM 0 HG3 LYS A 31 -8.004 -1.993 10.436 1.00 52.32 H new ATOM 0 HD2 LYS A 31 -6.900 -3.899 10.948 1.00 51.32 H new ATOM 0 HD3 LYS A 31 -8.160 -4.731 10.059 1.00 51.32 H new ATOM 0 HE2 LYS A 31 -5.483 -3.787 8.963 1.00 45.24 H new ATOM 0 HE3 LYS A 31 -5.972 -5.447 9.243 1.00 45.24 H new ATOM 0 HZ1 LYS A 31 -6.159 -4.805 6.909 1.00 65.12 H new ATOM 0 HZ2 LYS A 31 -7.673 -5.228 7.551 1.00 65.12 H new ATOM 0 HZ3 LYS A 31 -7.278 -3.594 7.312 1.00 65.12 H new ATOM 497 N ILE A 32 -8.767 -1.063 6.586 1.00 4.42 N ATOM 498 CA ILE A 32 -7.849 -0.333 5.720 1.00 10.43 C ATOM 499 C ILE A 32 -8.423 1.025 5.331 1.00 11.54 C ATOM 500 O ILE A 32 -7.704 2.023 5.281 1.00 11.54 O ATOM 501 CB ILE A 32 -7.530 -1.128 4.441 1.00 44.13 C ATOM 502 CG1 ILE A 32 -6.509 -2.228 4.739 1.00 1.02 C ATOM 503 CG2 ILE A 32 -7.011 -0.197 3.354 1.00 32.44 C ATOM 504 CD1 ILE A 32 -6.243 -3.141 3.563 1.00 40.12 C ATOM 0 H ILE A 32 -9.156 -1.910 6.171 1.00 4.42 H new ATOM 0 HA ILE A 32 -6.929 -0.187 6.286 1.00 10.43 H new ATOM 0 HB ILE A 32 -8.447 -1.596 4.084 1.00 44.13 H new ATOM 0 HG12 ILE A 32 -5.571 -1.767 5.050 1.00 1.02 H new ATOM 0 HG13 ILE A 32 -6.865 -2.825 5.579 1.00 1.02 H new ATOM 0 HG21 ILE A 32 -6.790 -0.774 2.456 1.00 32.44 H new ATOM 0 HG22 ILE A 32 -7.768 0.554 3.126 1.00 32.44 H new ATOM 0 HG23 ILE A 32 -6.103 0.297 3.701 1.00 32.44 H new ATOM 0 HD11 ILE A 32 -5.510 -3.896 3.847 1.00 40.12 H new ATOM 0 HD12 ILE A 32 -7.170 -3.630 3.265 1.00 40.12 H new ATOM 0 HD13 ILE A 32 -5.857 -2.556 2.728 1.00 40.12 H new ATOM 516 N ARG A 33 -9.723 1.056 5.058 1.00 34.23 N ATOM 517 CA ARG A 33 -10.395 2.292 4.674 1.00 21.35 C ATOM 518 C ARG A 33 -10.516 3.237 5.866 1.00 42.41 C ATOM 519 O ARG A 33 -10.688 4.445 5.698 1.00 64.22 O ATOM 520 CB ARG A 33 -11.783 1.988 4.108 1.00 50.12 C ATOM 521 CG ARG A 33 -12.605 3.232 3.811 1.00 61.31 C ATOM 522 CD ARG A 33 -13.567 3.001 2.656 1.00 42.21 C ATOM 523 NE ARG A 33 -14.905 2.646 3.121 1.00 61.44 N ATOM 524 CZ ARG A 33 -15.743 3.511 3.680 1.00 42.30 C ATOM 525 NH1 ARG A 33 -15.383 4.777 3.843 1.00 64.11 N ATOM 526 NH2 ARG A 33 -16.944 3.112 4.077 1.00 31.22 N ATOM 0 H ARG A 33 -10.333 0.239 5.096 1.00 34.23 H new ATOM 0 HA ARG A 33 -9.795 2.779 3.905 1.00 21.35 H new ATOM 0 HB2 ARG A 33 -11.673 1.408 3.192 1.00 50.12 H new ATOM 0 HB3 ARG A 33 -12.327 1.364 4.817 1.00 50.12 H new ATOM 0 HG2 ARG A 33 -13.165 3.520 4.700 1.00 61.31 H new ATOM 0 HG3 ARG A 33 -11.939 4.061 3.571 1.00 61.31 H new ATOM 0 HD2 ARG A 33 -13.623 3.902 2.045 1.00 42.21 H new ATOM 0 HD3 ARG A 33 -13.182 2.206 2.017 1.00 42.21 H new ATOM 0 HE ARG A 33 -15.213 1.680 3.010 1.00 61.44 H new ATOM 0 HH11 ARG A 33 -14.461 5.088 3.539 1.00 64.11 H new ATOM 0 HH12 ARG A 33 -16.029 5.440 4.273 1.00 64.11 H new ATOM 0 HH21 ARG A 33 -17.225 2.139 3.953 1.00 31.22 H new ATOM 0 HH22 ARG A 33 -17.587 3.778 4.506 1.00 31.22 H new ATOM 540 N ASP A 34 -10.425 2.680 7.068 1.00 14.13 N ATOM 541 CA ASP A 34 -10.524 3.473 8.288 1.00 0.31 C ATOM 542 C ASP A 34 -9.140 3.775 8.854 1.00 63.14 C ATOM 543 O ASP A 34 -9.010 4.296 9.962 1.00 31.33 O ATOM 544 CB ASP A 34 -11.366 2.739 9.333 1.00 54.35 C ATOM 545 CG ASP A 34 -11.735 3.626 10.506 1.00 75.23 C ATOM 546 OD1 ASP A 34 -12.451 4.627 10.291 1.00 22.02 O ATOM 547 OD2 ASP A 34 -11.310 3.318 11.638 1.00 22.14 O ATOM 0 H ASP A 34 -10.283 1.682 7.224 1.00 14.13 H new ATOM 0 HA ASP A 34 -11.009 4.417 8.039 1.00 0.31 H new ATOM 0 HB2 ASP A 34 -12.276 2.364 8.864 1.00 54.35 H new ATOM 0 HB3 ASP A 34 -10.814 1.872 9.696 1.00 54.35 H new ATOM 552 N LEU A 35 -8.108 3.444 8.086 1.00 64.44 N ATOM 553 CA LEU A 35 -6.732 3.678 8.510 1.00 23.01 C ATOM 554 C LEU A 35 -6.444 5.172 8.624 1.00 61.41 C ATOM 555 O LEU A 35 -7.144 6.009 8.054 1.00 20.12 O ATOM 556 CB LEU A 35 -5.756 3.033 7.524 1.00 31.44 C ATOM 557 CG LEU A 35 -5.469 1.546 7.740 1.00 2.42 C ATOM 558 CD1 LEU A 35 -4.642 0.990 6.591 1.00 11.23 C ATOM 559 CD2 LEU A 35 -4.756 1.328 9.067 1.00 51.20 C ATOM 0 H LEU A 35 -8.198 3.013 7.166 1.00 64.44 H new ATOM 0 HA LEU A 35 -6.599 3.225 9.492 1.00 23.01 H new ATOM 0 HB2 LEU A 35 -6.149 3.164 6.516 1.00 31.44 H new ATOM 0 HB3 LEU A 35 -4.812 3.575 7.571 1.00 31.44 H new ATOM 0 HG LEU A 35 -6.419 1.012 7.769 1.00 2.42 H new ATOM 0 HD11 LEU A 35 -4.448 -0.069 6.762 1.00 11.23 H new ATOM 0 HD12 LEU A 35 -5.189 1.112 5.656 1.00 11.23 H new ATOM 0 HD13 LEU A 35 -3.696 1.528 6.530 1.00 11.23 H new ATOM 0 HD21 LEU A 35 -4.560 0.265 9.204 1.00 51.20 H new ATOM 0 HD22 LEU A 35 -3.813 1.874 9.067 1.00 51.20 H new ATOM 0 HD23 LEU A 35 -5.384 1.689 9.881 1.00 51.20 H new ATOM 571 N PRO A 36 -5.387 5.515 9.376 1.00 55.34 N ATOM 572 CA PRO A 36 -4.981 6.909 9.579 1.00 22.24 C ATOM 573 C PRO A 36 -4.408 7.537 8.313 1.00 32.33 C ATOM 574 O PRO A 36 -3.392 7.081 7.789 1.00 45.23 O ATOM 575 CB PRO A 36 -3.903 6.809 10.662 1.00 42.14 C ATOM 576 CG PRO A 36 -3.357 5.430 10.526 1.00 23.32 C ATOM 577 CD PRO A 36 -4.508 4.570 10.084 1.00 73.11 C ATOM 0 HA PRO A 36 -5.824 7.543 9.853 1.00 22.24 H new ATOM 0 HB2 PRO A 36 -3.125 7.559 10.517 1.00 42.14 H new ATOM 0 HB3 PRO A 36 -4.323 6.973 11.655 1.00 42.14 H new ATOM 0 HG2 PRO A 36 -2.546 5.401 9.798 1.00 23.32 H new ATOM 0 HG3 PRO A 36 -2.948 5.077 11.473 1.00 23.32 H new ATOM 0 HD2 PRO A 36 -4.178 3.762 9.431 1.00 73.11 H new ATOM 0 HD3 PRO A 36 -5.014 4.109 10.932 1.00 73.11 H new ATOM 585 N ILE A 37 -5.066 8.584 7.828 1.00 13.00 N ATOM 586 CA ILE A 37 -4.621 9.275 6.624 1.00 22.33 C ATOM 587 C ILE A 37 -3.317 10.025 6.872 1.00 65.02 C ATOM 588 O ILE A 37 -2.476 10.141 5.980 1.00 72.13 O ATOM 589 CB ILE A 37 -5.684 10.268 6.119 1.00 3.44 C ATOM 590 CG1 ILE A 37 -6.132 11.190 7.255 1.00 32.15 C ATOM 591 CG2 ILE A 37 -6.873 9.521 5.536 1.00 71.43 C ATOM 592 CD1 ILE A 37 -7.079 12.282 6.810 1.00 52.05 C ATOM 0 H ILE A 37 -5.909 8.973 8.250 1.00 13.00 H new ATOM 0 HA ILE A 37 -4.459 8.512 5.863 1.00 22.33 H new ATOM 0 HB ILE A 37 -5.243 10.880 5.332 1.00 3.44 H new ATOM 0 HG12 ILE A 37 -6.617 10.592 8.027 1.00 32.15 H new ATOM 0 HG13 ILE A 37 -5.253 11.646 7.710 1.00 32.15 H new ATOM 0 HG21 ILE A 37 -7.615 10.237 5.184 1.00 71.43 H new ATOM 0 HG22 ILE A 37 -6.541 8.903 4.702 1.00 71.43 H new ATOM 0 HG23 ILE A 37 -7.316 8.887 6.304 1.00 71.43 H new ATOM 0 HD11 ILE A 37 -7.354 12.896 7.667 1.00 52.05 H new ATOM 0 HD12 ILE A 37 -6.591 12.904 6.060 1.00 52.05 H new ATOM 0 HD13 ILE A 37 -7.976 11.834 6.382 1.00 52.05 H new ATOM 604 N SER A 38 -3.153 10.531 8.090 1.00 55.42 N ATOM 605 CA SER A 38 -1.952 11.273 8.455 1.00 61.40 C ATOM 606 C SER A 38 -0.733 10.355 8.476 1.00 51.13 C ATOM 607 O SER A 38 0.406 10.814 8.377 1.00 32.12 O ATOM 608 CB SER A 38 -2.131 11.933 9.823 1.00 24.14 C ATOM 609 OG SER A 38 -1.932 10.999 10.870 1.00 35.33 O ATOM 0 H SER A 38 -3.837 10.441 8.841 1.00 55.42 H new ATOM 0 HA SER A 38 -1.790 12.047 7.705 1.00 61.40 H new ATOM 0 HB2 SER A 38 -1.425 12.757 9.928 1.00 24.14 H new ATOM 0 HB3 SER A 38 -3.132 12.359 9.897 1.00 24.14 H new ATOM 0 HG SER A 38 -2.050 11.446 11.734 1.00 35.33 H new ATOM 615 N LEU A 39 -0.980 9.056 8.604 1.00 14.35 N ATOM 616 CA LEU A 39 0.096 8.072 8.638 1.00 11.23 C ATOM 617 C LEU A 39 0.698 7.875 7.251 1.00 54.35 C ATOM 618 O LEU A 39 1.876 7.547 7.114 1.00 23.13 O ATOM 619 CB LEU A 39 -0.424 6.737 9.175 1.00 3.44 C ATOM 620 CG LEU A 39 0.529 5.964 10.087 1.00 5.24 C ATOM 621 CD1 LEU A 39 -0.240 5.281 11.207 1.00 1.35 C ATOM 622 CD2 LEU A 39 1.325 4.944 9.286 1.00 40.44 C ATOM 0 H LEU A 39 -1.916 8.660 8.686 1.00 14.35 H new ATOM 0 HA LEU A 39 0.875 8.445 9.302 1.00 11.23 H new ATOM 0 HB2 LEU A 39 -1.348 6.923 9.723 1.00 3.44 H new ATOM 0 HB3 LEU A 39 -0.679 6.101 8.327 1.00 3.44 H new ATOM 0 HG LEU A 39 1.228 6.672 10.533 1.00 5.24 H new ATOM 0 HD11 LEU A 39 0.455 4.736 11.846 1.00 1.35 H new ATOM 0 HD12 LEU A 39 -0.764 6.031 11.799 1.00 1.35 H new ATOM 0 HD13 LEU A 39 -0.963 4.585 10.781 1.00 1.35 H new ATOM 0 HD21 LEU A 39 1.998 4.403 9.952 1.00 40.44 H new ATOM 0 HD22 LEU A 39 0.641 4.240 8.812 1.00 40.44 H new ATOM 0 HD23 LEU A 39 1.907 5.457 8.520 1.00 40.44 H new ATOM 634 N PHE A 40 -0.119 8.080 6.223 1.00 53.34 N ATOM 635 CA PHE A 40 0.332 7.927 4.845 1.00 64.34 C ATOM 636 C PHE A 40 0.098 9.208 4.049 1.00 31.44 C ATOM 637 O PHE A 40 -1.040 9.643 3.875 1.00 13.31 O ATOM 638 CB PHE A 40 -0.393 6.757 4.175 1.00 3.42 C ATOM 639 CG PHE A 40 -0.575 5.570 5.077 1.00 72.03 C ATOM 640 CD1 PHE A 40 -1.681 5.478 5.907 1.00 25.52 C ATOM 641 CD2 PHE A 40 0.358 4.546 5.093 1.00 1.13 C ATOM 642 CE1 PHE A 40 -1.850 4.386 6.738 1.00 13.42 C ATOM 643 CE2 PHE A 40 0.193 3.452 5.922 1.00 3.20 C ATOM 644 CZ PHE A 40 -0.913 3.372 6.745 1.00 60.12 C ATOM 0 H PHE A 40 -1.097 8.353 6.318 1.00 53.34 H new ATOM 0 HA PHE A 40 1.402 7.721 4.861 1.00 64.34 H new ATOM 0 HB2 PHE A 40 -1.370 7.095 3.830 1.00 3.42 H new ATOM 0 HB3 PHE A 40 0.168 6.450 3.292 1.00 3.42 H new ATOM 0 HD1 PHE A 40 -2.418 6.267 5.905 1.00 25.52 H new ATOM 0 HD2 PHE A 40 1.224 4.603 4.450 1.00 1.13 H new ATOM 0 HE1 PHE A 40 -2.715 4.326 7.382 1.00 13.42 H new ATOM 0 HE2 PHE A 40 0.928 2.661 5.926 1.00 3.20 H new ATOM 0 HZ PHE A 40 -1.045 2.518 7.393 1.00 60.12 H new ATOM 654 N ASP A 41 1.183 9.806 3.570 1.00 53.00 N ATOM 655 CA ASP A 41 1.097 11.037 2.793 1.00 75.13 C ATOM 656 C ASP A 41 0.161 10.862 1.601 1.00 54.53 C ATOM 657 O ASP A 41 -0.393 11.834 1.086 1.00 50.32 O ATOM 658 CB ASP A 41 2.485 11.458 2.309 1.00 1.23 C ATOM 659 CG ASP A 41 3.249 12.243 3.357 1.00 4.21 C ATOM 660 OD1 ASP A 41 2.697 13.237 3.873 1.00 44.31 O ATOM 661 OD2 ASP A 41 4.400 11.864 3.661 1.00 61.12 O ATOM 0 H ASP A 41 2.132 9.458 3.706 1.00 53.00 H new ATOM 0 HA ASP A 41 0.694 11.818 3.438 1.00 75.13 H new ATOM 0 HB2 ASP A 41 3.056 10.571 2.036 1.00 1.23 H new ATOM 0 HB3 ASP A 41 2.385 12.063 1.408 1.00 1.23 H new ATOM 666 N TYR A 42 -0.011 9.619 1.167 1.00 64.23 N ATOM 667 CA TYR A 42 -0.877 9.317 0.033 1.00 4.31 C ATOM 668 C TYR A 42 -1.584 7.980 0.228 1.00 23.43 C ATOM 669 O TYR A 42 -0.942 6.949 0.436 1.00 51.43 O ATOM 670 CB TYR A 42 -0.065 9.294 -1.263 1.00 72.43 C ATOM 671 CG TYR A 42 -0.888 8.957 -2.486 1.00 42.05 C ATOM 672 CD1 TYR A 42 -2.181 9.444 -2.634 1.00 2.24 C ATOM 673 CD2 TYR A 42 -0.373 8.151 -3.494 1.00 41.34 C ATOM 674 CE1 TYR A 42 -2.937 9.139 -3.749 1.00 64.11 C ATOM 675 CE2 TYR A 42 -1.121 7.842 -4.614 1.00 2.11 C ATOM 676 CZ TYR A 42 -2.402 8.338 -4.737 1.00 20.05 C ATOM 677 OH TYR A 42 -3.151 8.031 -5.850 1.00 3.05 O ATOM 0 H TYR A 42 0.438 8.803 1.583 1.00 64.23 H new ATOM 0 HA TYR A 42 -1.633 10.100 -0.033 1.00 4.31 H new ATOM 0 HB2 TYR A 42 0.402 10.268 -1.407 1.00 72.43 H new ATOM 0 HB3 TYR A 42 0.740 8.566 -1.165 1.00 72.43 H new ATOM 0 HD1 TYR A 42 -2.602 10.072 -1.863 1.00 2.24 H new ATOM 0 HD2 TYR A 42 0.629 7.759 -3.400 1.00 41.34 H new ATOM 0 HE1 TYR A 42 -3.941 9.525 -3.847 1.00 64.11 H new ATOM 0 HE2 TYR A 42 -0.705 7.215 -5.389 1.00 2.11 H new ATOM 0 HH TYR A 42 -4.098 8.201 -5.664 1.00 3.05 H new ATOM 687 N PHE A 43 -2.911 8.004 0.160 1.00 64.43 N ATOM 688 CA PHE A 43 -3.707 6.794 0.329 1.00 61.31 C ATOM 689 C PHE A 43 -4.775 6.690 -0.756 1.00 31.43 C ATOM 690 O PHE A 43 -5.681 7.521 -0.831 1.00 63.44 O ATOM 691 CB PHE A 43 -4.364 6.779 1.711 1.00 41.23 C ATOM 692 CG PHE A 43 -4.440 5.410 2.324 1.00 53.22 C ATOM 693 CD1 PHE A 43 -4.438 4.278 1.525 1.00 21.13 C ATOM 694 CD2 PHE A 43 -4.515 5.256 3.699 1.00 72.43 C ATOM 695 CE1 PHE A 43 -4.508 3.017 2.086 1.00 22.42 C ATOM 696 CE2 PHE A 43 -4.585 3.997 4.265 1.00 22.03 C ATOM 697 CZ PHE A 43 -4.582 2.876 3.458 1.00 14.11 C ATOM 0 H PHE A 43 -3.458 8.848 -0.011 1.00 64.43 H new ATOM 0 HA PHE A 43 -3.041 5.936 0.242 1.00 61.31 H new ATOM 0 HB2 PHE A 43 -3.805 7.436 2.377 1.00 41.23 H new ATOM 0 HB3 PHE A 43 -5.371 7.189 1.630 1.00 41.23 H new ATOM 0 HD1 PHE A 43 -4.381 4.382 0.452 1.00 21.13 H new ATOM 0 HD2 PHE A 43 -4.519 6.129 4.335 1.00 72.43 H new ATOM 0 HE1 PHE A 43 -4.505 2.143 1.452 1.00 22.42 H new ATOM 0 HE2 PHE A 43 -4.642 3.890 5.338 1.00 22.03 H new ATOM 0 HZ PHE A 43 -4.637 1.892 3.899 1.00 14.11 H new ATOM 707 N ILE A 44 -4.662 5.664 -1.593 1.00 4.12 N ATOM 708 CA ILE A 44 -5.617 5.451 -2.673 1.00 32.34 C ATOM 709 C ILE A 44 -6.002 3.979 -2.783 1.00 52.43 C ATOM 710 O ILE A 44 -5.159 3.124 -3.054 1.00 41.43 O ATOM 711 CB ILE A 44 -5.054 5.925 -4.025 1.00 43.41 C ATOM 712 CG1 ILE A 44 -5.923 5.410 -5.174 1.00 14.43 C ATOM 713 CG2 ILE A 44 -3.615 5.459 -4.192 1.00 52.15 C ATOM 714 CD1 ILE A 44 -6.101 6.412 -6.293 1.00 52.21 C ATOM 0 H ILE A 44 -3.919 4.967 -1.544 1.00 4.12 H new ATOM 0 HA ILE A 44 -6.502 6.039 -2.432 1.00 32.34 H new ATOM 0 HB ILE A 44 -5.068 7.015 -4.045 1.00 43.41 H new ATOM 0 HG12 ILE A 44 -5.476 4.502 -5.578 1.00 14.43 H new ATOM 0 HG13 ILE A 44 -6.903 5.136 -4.783 1.00 14.43 H new ATOM 0 HG21 ILE A 44 -3.231 5.802 -5.153 1.00 52.15 H new ATOM 0 HG22 ILE A 44 -3.004 5.871 -3.389 1.00 52.15 H new ATOM 0 HG23 ILE A 44 -3.578 4.370 -4.154 1.00 52.15 H new ATOM 0 HD11 ILE A 44 -6.728 5.979 -7.073 1.00 52.21 H new ATOM 0 HD12 ILE A 44 -6.576 7.312 -5.903 1.00 52.21 H new ATOM 0 HD13 ILE A 44 -5.127 6.668 -6.711 1.00 52.21 H new ATOM 726 N VAL A 45 -7.283 3.691 -2.573 1.00 63.13 N ATOM 727 CA VAL A 45 -7.781 2.323 -2.652 1.00 52.03 C ATOM 728 C VAL A 45 -8.870 2.195 -3.711 1.00 55.42 C ATOM 729 O VAL A 45 -9.742 3.056 -3.828 1.00 2.04 O ATOM 730 CB VAL A 45 -8.340 1.850 -1.297 1.00 50.21 C ATOM 731 CG1 VAL A 45 -8.412 0.332 -1.250 1.00 33.43 C ATOM 732 CG2 VAL A 45 -7.492 2.388 -0.155 1.00 24.24 C ATOM 0 H VAL A 45 -7.994 4.387 -2.347 1.00 63.13 H new ATOM 0 HA VAL A 45 -6.935 1.694 -2.927 1.00 52.03 H new ATOM 0 HB VAL A 45 -9.351 2.241 -1.184 1.00 50.21 H new ATOM 0 HG11 VAL A 45 -8.809 0.016 -0.285 1.00 33.43 H new ATOM 0 HG12 VAL A 45 -9.065 -0.026 -2.046 1.00 33.43 H new ATOM 0 HG13 VAL A 45 -7.414 -0.084 -1.385 1.00 33.43 H new ATOM 0 HG21 VAL A 45 -7.901 2.044 0.795 1.00 24.24 H new ATOM 0 HG22 VAL A 45 -6.469 2.028 -0.261 1.00 24.24 H new ATOM 0 HG23 VAL A 45 -7.498 3.478 -0.180 1.00 24.24 H new ATOM 742 N GLY A 46 -8.815 1.114 -4.482 1.00 61.54 N ATOM 743 CA GLY A 46 -9.803 0.892 -5.522 1.00 43.22 C ATOM 744 C GLY A 46 -10.389 -0.505 -5.477 1.00 13.24 C ATOM 745 O GLY A 46 -9.673 -1.478 -5.246 1.00 64.02 O ATOM 0 H GLY A 46 -8.103 0.387 -4.405 1.00 61.54 H new ATOM 0 HA2 GLY A 46 -10.605 1.623 -5.418 1.00 43.22 H new ATOM 0 HA3 GLY A 46 -9.344 1.059 -6.496 1.00 43.22 H new ATOM 749 N GLU A 47 -11.697 -0.603 -5.695 1.00 61.42 N ATOM 750 CA GLU A 47 -12.379 -1.892 -5.675 1.00 70.13 C ATOM 751 C GLU A 47 -12.507 -2.462 -7.085 1.00 52.32 C ATOM 752 O GLU A 47 -12.885 -1.755 -8.019 1.00 15.14 O ATOM 753 CB GLU A 47 -13.765 -1.751 -5.042 1.00 40.25 C ATOM 754 CG GLU A 47 -14.150 -2.921 -4.153 1.00 1.23 C ATOM 755 CD GLU A 47 -14.403 -4.193 -4.938 1.00 44.24 C ATOM 756 OE1 GLU A 47 -15.344 -4.207 -5.758 1.00 72.42 O ATOM 757 OE2 GLU A 47 -13.658 -5.174 -4.733 1.00 23.10 O ATOM 0 H GLU A 47 -12.305 0.193 -5.887 1.00 61.42 H new ATOM 0 HA GLU A 47 -11.783 -2.580 -5.076 1.00 70.13 H new ATOM 0 HB2 GLU A 47 -13.795 -0.834 -4.454 1.00 40.25 H new ATOM 0 HB3 GLU A 47 -14.508 -1.647 -5.833 1.00 40.25 H new ATOM 0 HG2 GLU A 47 -13.356 -3.098 -3.428 1.00 1.23 H new ATOM 0 HG3 GLU A 47 -15.046 -2.663 -3.588 1.00 1.23 H new ATOM 764 N GLU A 48 -12.189 -3.744 -7.230 1.00 65.12 N ATOM 765 CA GLU A 48 -12.267 -4.408 -8.526 1.00 63.11 C ATOM 766 C GLU A 48 -13.289 -5.540 -8.496 1.00 73.45 C ATOM 767 O GLU A 48 -13.054 -6.589 -7.898 1.00 3.24 O ATOM 768 CB GLU A 48 -10.895 -4.955 -8.927 1.00 72.33 C ATOM 769 CG GLU A 48 -10.932 -5.848 -10.156 1.00 62.12 C ATOM 770 CD GLU A 48 -9.610 -5.872 -10.899 1.00 73.33 C ATOM 771 OE1 GLU A 48 -8.668 -6.531 -10.412 1.00 31.35 O ATOM 772 OE2 GLU A 48 -9.518 -5.233 -11.968 1.00 2.44 O ATOM 0 H GLU A 48 -11.875 -4.343 -6.467 1.00 65.12 H new ATOM 0 HA GLU A 48 -12.587 -3.672 -9.264 1.00 63.11 H new ATOM 0 HB2 GLU A 48 -10.221 -4.119 -9.115 1.00 72.33 H new ATOM 0 HB3 GLU A 48 -10.479 -5.518 -8.091 1.00 72.33 H new ATOM 0 HG2 GLU A 48 -11.194 -6.862 -9.856 1.00 62.12 H new ATOM 0 HG3 GLU A 48 -11.717 -5.502 -10.829 1.00 62.12 H new ATOM 779 N GLY A 49 -14.427 -5.319 -9.148 1.00 34.52 N ATOM 780 CA GLY A 49 -15.470 -6.329 -9.183 1.00 44.35 C ATOM 781 C GLY A 49 -16.134 -6.428 -10.542 1.00 52.02 C ATOM 782 O GLY A 49 -17.264 -6.902 -10.655 1.00 1.13 O ATOM 0 H GLY A 49 -14.645 -4.460 -9.652 1.00 34.52 H new ATOM 0 HA2 GLY A 49 -15.044 -7.297 -8.919 1.00 44.35 H new ATOM 0 HA3 GLY A 49 -16.223 -6.096 -8.430 1.00 44.35 H new ATOM 786 N ASN A 50 -15.432 -5.978 -11.577 1.00 50.00 N ATOM 787 CA ASN A 50 -15.962 -6.016 -12.935 1.00 72.31 C ATOM 788 C ASN A 50 -15.873 -7.425 -13.514 1.00 74.02 C ATOM 789 O ASN A 50 -15.012 -7.712 -14.345 1.00 0.52 O ATOM 790 CB ASN A 50 -15.201 -5.036 -13.830 1.00 30.11 C ATOM 791 CG ASN A 50 -16.037 -4.550 -14.998 1.00 35.22 C ATOM 792 OD1 ASN A 50 -15.616 -4.626 -16.152 1.00 22.31 O ATOM 793 ND2 ASN A 50 -17.230 -4.047 -14.702 1.00 53.12 N ATOM 0 H ASN A 50 -14.495 -5.583 -11.501 1.00 50.00 H new ATOM 0 HA ASN A 50 -17.011 -5.723 -12.897 1.00 72.31 H new ATOM 0 HB2 ASN A 50 -14.880 -4.180 -13.236 1.00 30.11 H new ATOM 0 HB3 ASN A 50 -14.300 -5.518 -14.208 1.00 30.11 H new ATOM 0 HD21 ASN A 50 -17.838 -3.704 -15.446 1.00 53.12 H new ATOM 0 HD22 ASN A 50 -17.538 -4.004 -13.731 1.00 53.12 H new ATOM 800 N GLU A 51 -16.771 -8.299 -13.070 1.00 25.55 N ATOM 801 CA GLU A 51 -16.793 -9.678 -13.544 1.00 23.21 C ATOM 802 C GLU A 51 -17.929 -10.460 -12.891 1.00 52.12 C ATOM 803 O GLU A 51 -17.782 -10.983 -11.787 1.00 41.31 O ATOM 804 CB GLU A 51 -15.455 -10.363 -13.253 1.00 55.41 C ATOM 805 CG GLU A 51 -14.682 -10.744 -14.504 1.00 41.51 C ATOM 806 CD GLU A 51 -13.273 -11.215 -14.198 1.00 55.13 C ATOM 807 OE1 GLU A 51 -12.550 -10.497 -13.477 1.00 15.23 O ATOM 808 OE2 GLU A 51 -12.895 -12.303 -14.681 1.00 3.30 O ATOM 0 H GLU A 51 -17.492 -8.077 -12.384 1.00 25.55 H new ATOM 0 HA GLU A 51 -16.958 -9.662 -14.621 1.00 23.21 H new ATOM 0 HB2 GLU A 51 -14.841 -9.699 -12.645 1.00 55.41 H new ATOM 0 HB3 GLU A 51 -15.637 -11.260 -12.661 1.00 55.41 H new ATOM 0 HG2 GLU A 51 -15.218 -11.533 -15.032 1.00 41.51 H new ATOM 0 HG3 GLU A 51 -14.637 -9.886 -15.174 1.00 41.51 H new ATOM 815 N GLU A 52 -19.062 -10.534 -13.583 1.00 12.24 N ATOM 816 CA GLU A 52 -20.224 -11.250 -13.069 1.00 71.25 C ATOM 817 C GLU A 52 -19.899 -12.724 -12.844 1.00 4.12 C ATOM 818 O GLU A 52 -19.183 -13.341 -13.632 1.00 54.32 O ATOM 819 CB GLU A 52 -21.401 -11.119 -14.039 1.00 22.13 C ATOM 820 CG GLU A 52 -21.086 -11.596 -15.447 1.00 3.54 C ATOM 821 CD GLU A 52 -22.156 -11.206 -16.448 1.00 1.44 C ATOM 822 OE1 GLU A 52 -23.345 -11.478 -16.180 1.00 70.43 O ATOM 823 OE2 GLU A 52 -21.805 -10.628 -17.498 1.00 21.52 O ATOM 0 H GLU A 52 -19.200 -10.108 -14.499 1.00 12.24 H new ATOM 0 HA GLU A 52 -20.499 -10.806 -12.112 1.00 71.25 H new ATOM 0 HB2 GLU A 52 -22.245 -11.689 -13.652 1.00 22.13 H new ATOM 0 HB3 GLU A 52 -21.713 -10.075 -14.079 1.00 22.13 H new ATOM 0 HG2 GLU A 52 -20.129 -11.179 -15.762 1.00 3.54 H new ATOM 0 HG3 GLU A 52 -20.975 -12.680 -15.443 1.00 3.54 H new ATOM 830 N GLY A 53 -20.429 -13.282 -11.760 1.00 33.11 N ATOM 831 CA GLY A 53 -20.184 -14.678 -11.449 1.00 21.14 C ATOM 832 C GLY A 53 -18.963 -14.870 -10.571 1.00 32.52 C ATOM 833 O GLY A 53 -18.781 -15.932 -9.974 1.00 45.31 O ATOM 0 H GLY A 53 -21.024 -12.792 -11.092 1.00 33.11 H new ATOM 0 HA2 GLY A 53 -21.058 -15.094 -10.947 1.00 21.14 H new ATOM 0 HA3 GLY A 53 -20.053 -15.236 -12.376 1.00 21.14 H new ATOM 837 N ARG A 54 -18.125 -13.842 -10.493 1.00 24.44 N ATOM 838 CA ARG A 54 -16.913 -13.904 -9.684 1.00 33.44 C ATOM 839 C ARG A 54 -17.013 -12.969 -8.482 1.00 75.12 C ATOM 840 O ARG A 54 -17.860 -12.075 -8.446 1.00 21.24 O ATOM 841 CB ARG A 54 -15.691 -13.538 -10.528 1.00 33.41 C ATOM 842 CG ARG A 54 -14.368 -13.908 -9.877 1.00 14.21 C ATOM 843 CD ARG A 54 -13.203 -13.715 -10.835 1.00 11.44 C ATOM 844 NE ARG A 54 -12.113 -12.959 -10.224 1.00 44.14 N ATOM 845 CZ ARG A 54 -11.256 -13.479 -9.352 1.00 53.20 C ATOM 846 NH1 ARG A 54 -11.363 -14.750 -8.990 1.00 14.31 N ATOM 847 NH2 ARG A 54 -10.290 -12.727 -8.840 1.00 40.04 N ATOM 0 H ARG A 54 -18.263 -12.956 -10.980 1.00 24.44 H new ATOM 0 HA ARG A 54 -16.802 -14.925 -9.320 1.00 33.44 H new ATOM 0 HB2 ARG A 54 -15.764 -14.039 -11.493 1.00 33.41 H new ATOM 0 HB3 ARG A 54 -15.703 -12.466 -10.723 1.00 33.41 H new ATOM 0 HG2 ARG A 54 -14.215 -13.296 -8.988 1.00 14.21 H new ATOM 0 HG3 ARG A 54 -14.401 -14.946 -9.547 1.00 14.21 H new ATOM 0 HD2 ARG A 54 -12.833 -14.688 -11.157 1.00 11.44 H new ATOM 0 HD3 ARG A 54 -13.550 -13.194 -11.728 1.00 11.44 H new ATOM 0 HE ARG A 54 -12.004 -11.978 -10.481 1.00 44.14 H new ATOM 0 HH11 ARG A 54 -12.105 -15.331 -9.381 1.00 14.31 H new ATOM 0 HH12 ARG A 54 -10.704 -15.147 -8.320 1.00 14.31 H new ATOM 0 HH21 ARG A 54 -10.205 -11.749 -9.116 1.00 40.04 H new ATOM 0 HH22 ARG A 54 -9.633 -13.127 -8.171 1.00 40.04 H new ATOM 861 N THR A 55 -16.144 -13.181 -7.499 1.00 63.22 N ATOM 862 CA THR A 55 -16.135 -12.359 -6.296 1.00 21.12 C ATOM 863 C THR A 55 -15.276 -11.114 -6.487 1.00 20.34 C ATOM 864 O THR A 55 -14.412 -11.055 -7.362 1.00 22.15 O ATOM 865 CB THR A 55 -15.613 -13.148 -5.080 1.00 64.14 C ATOM 866 OG1 THR A 55 -14.913 -14.318 -5.519 1.00 41.24 O ATOM 867 CG2 THR A 55 -16.758 -13.550 -4.163 1.00 61.45 C ATOM 0 H THR A 55 -15.437 -13.916 -7.513 1.00 63.22 H new ATOM 0 HA THR A 55 -17.167 -12.060 -6.110 1.00 21.12 H new ATOM 0 HB THR A 55 -14.932 -12.505 -4.523 1.00 64.14 H new ATOM 0 HG1 THR A 55 -14.583 -14.813 -4.740 1.00 41.24 H new ATOM 0 HG21 THR A 55 -16.365 -14.106 -3.312 1.00 61.45 H new ATOM 0 HG22 THR A 55 -17.270 -12.656 -3.807 1.00 61.45 H new ATOM 0 HG23 THR A 55 -17.461 -14.177 -4.712 1.00 61.45 H new ATOM 875 N PRO A 56 -15.516 -10.095 -5.649 1.00 53.40 N ATOM 876 CA PRO A 56 -14.773 -8.832 -5.705 1.00 74.14 C ATOM 877 C PRO A 56 -13.326 -8.991 -5.253 1.00 42.44 C ATOM 878 O PRO A 56 -12.970 -9.980 -4.613 1.00 65.42 O ATOM 879 CB PRO A 56 -15.540 -7.926 -4.738 1.00 65.30 C ATOM 880 CG PRO A 56 -16.203 -8.862 -3.787 1.00 63.24 C ATOM 881 CD PRO A 56 -16.531 -10.096 -4.582 1.00 53.22 C ATOM 0 HA PRO A 56 -14.712 -8.439 -6.720 1.00 74.14 H new ATOM 0 HB2 PRO A 56 -14.868 -7.243 -4.218 1.00 65.30 H new ATOM 0 HB3 PRO A 56 -16.271 -7.313 -5.265 1.00 65.30 H new ATOM 0 HG2 PRO A 56 -15.545 -9.100 -2.951 1.00 63.24 H new ATOM 0 HG3 PRO A 56 -17.105 -8.417 -3.367 1.00 63.24 H new ATOM 0 HD2 PRO A 56 -16.470 -10.996 -3.970 1.00 53.22 H new ATOM 0 HD3 PRO A 56 -17.541 -10.055 -4.989 1.00 53.22 H new ATOM 889 N HIS A 57 -12.495 -8.009 -5.590 1.00 23.21 N ATOM 890 CA HIS A 57 -11.085 -8.040 -5.217 1.00 42.11 C ATOM 891 C HIS A 57 -10.603 -6.654 -4.798 1.00 75.01 C ATOM 892 O HIS A 57 -10.955 -5.649 -5.418 1.00 32.41 O ATOM 893 CB HIS A 57 -10.239 -8.556 -6.381 1.00 42.15 C ATOM 894 CG HIS A 57 -8.768 -8.348 -6.191 1.00 42.03 C ATOM 895 ND1 HIS A 57 -8.050 -7.387 -6.870 1.00 44.45 N ATOM 896 CD2 HIS A 57 -7.880 -8.983 -5.391 1.00 71.30 C ATOM 897 CE1 HIS A 57 -6.783 -7.441 -6.498 1.00 14.34 C ATOM 898 NE2 HIS A 57 -6.654 -8.401 -5.600 1.00 71.10 N ATOM 0 H HIS A 57 -12.773 -7.183 -6.120 1.00 23.21 H new ATOM 0 HA HIS A 57 -10.974 -8.716 -4.369 1.00 42.11 H new ATOM 0 HB2 HIS A 57 -10.433 -9.620 -6.516 1.00 42.15 H new ATOM 0 HB3 HIS A 57 -10.553 -8.056 -7.297 1.00 42.15 H new ATOM 0 HD1 HIS A 57 -8.436 -6.736 -7.553 1.00 44.45 H new ATOM 0 HD2 HIS A 57 -8.096 -9.796 -4.714 1.00 71.30 H new ATOM 0 HE1 HIS A 57 -5.989 -6.808 -6.866 1.00 14.34 H new ATOM 906 N LEU A 58 -9.798 -6.607 -3.743 1.00 32.04 N ATOM 907 CA LEU A 58 -9.269 -5.344 -3.240 1.00 22.12 C ATOM 908 C LEU A 58 -7.895 -5.054 -3.836 1.00 11.41 C ATOM 909 O LEU A 58 -7.033 -5.930 -3.886 1.00 44.02 O ATOM 910 CB LEU A 58 -9.178 -5.378 -1.713 1.00 71.12 C ATOM 911 CG LEU A 58 -9.726 -4.153 -0.981 1.00 1.32 C ATOM 912 CD1 LEU A 58 -9.442 -4.251 0.510 1.00 14.01 C ATOM 913 CD2 LEU A 58 -9.129 -2.877 -1.556 1.00 51.41 C ATOM 0 H LEU A 58 -9.497 -7.429 -3.219 1.00 32.04 H new ATOM 0 HA LEU A 58 -9.951 -4.548 -3.539 1.00 22.12 H new ATOM 0 HB2 LEU A 58 -9.712 -6.259 -1.357 1.00 71.12 H new ATOM 0 HB3 LEU A 58 -8.132 -5.505 -1.434 1.00 71.12 H new ATOM 0 HG LEU A 58 -10.806 -4.122 -1.123 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -9.839 -3.370 1.015 1.00 14.01 H new ATOM 0 HD12 LEU A 58 -9.917 -5.145 0.913 1.00 14.01 H new ATOM 0 HD13 LEU A 58 -8.366 -4.308 0.672 1.00 14.01 H new ATOM 0 HD21 LEU A 58 -9.530 -2.015 -1.023 1.00 51.41 H new ATOM 0 HD22 LEU A 58 -8.045 -2.900 -1.444 1.00 51.41 H new ATOM 0 HD23 LEU A 58 -9.383 -2.800 -2.613 1.00 51.41 H new ATOM 925 N GLN A 59 -7.700 -3.818 -4.284 1.00 5.31 N ATOM 926 CA GLN A 59 -6.430 -3.412 -4.875 1.00 2.12 C ATOM 927 C GLN A 59 -6.210 -1.911 -4.716 1.00 33.11 C ATOM 928 O GLN A 59 -6.915 -1.103 -5.320 1.00 21.25 O ATOM 929 CB GLN A 59 -6.388 -3.791 -6.356 1.00 71.41 C ATOM 930 CG GLN A 59 -5.222 -3.173 -7.110 1.00 52.41 C ATOM 931 CD GLN A 59 -3.878 -3.672 -6.619 1.00 31.45 C ATOM 932 OE1 GLN A 59 -3.344 -3.022 -5.591 1.00 72.42 O flip ATOM 933 NE2 GLN A 59 -3.325 -4.632 -7.156 1.00 71.22 N flip ATOM 0 H GLN A 59 -8.404 -3.081 -4.249 1.00 5.31 H new ATOM 0 HA GLN A 59 -5.631 -3.935 -4.350 1.00 2.12 H new ATOM 0 HB2 GLN A 59 -6.332 -4.876 -6.443 1.00 71.41 H new ATOM 0 HB3 GLN A 59 -7.320 -3.481 -6.828 1.00 71.41 H new ATOM 0 HG2 GLN A 59 -5.322 -3.397 -8.172 1.00 52.41 H new ATOM 0 HG3 GLN A 59 -5.262 -2.089 -7.007 1.00 52.41 H new ATOM 0 HE21 GLN A 59 -3.771 -5.102 -7.944 1.00 71.22 H new ATOM 0 HE22 GLN A 59 -2.421 -4.957 -6.813 1.00 71.22 H new ATOM 942 N GLY A 60 -5.228 -1.545 -3.898 1.00 44.34 N ATOM 943 CA GLY A 60 -4.933 -0.141 -3.674 1.00 74.45 C ATOM 944 C GLY A 60 -3.474 0.099 -3.344 1.00 2.25 C ATOM 945 O GLY A 60 -2.707 -0.847 -3.161 1.00 0.51 O ATOM 0 H GLY A 60 -4.631 -2.195 -3.386 1.00 44.34 H new ATOM 0 HA2 GLY A 60 -5.200 0.430 -4.564 1.00 74.45 H new ATOM 0 HA3 GLY A 60 -5.553 0.232 -2.859 1.00 74.45 H new ATOM 949 N PHE A 61 -3.087 1.368 -3.267 1.00 55.55 N ATOM 950 CA PHE A 61 -1.709 1.731 -2.959 1.00 70.20 C ATOM 951 C PHE A 61 -1.657 2.779 -1.851 1.00 51.03 C ATOM 952 O PHE A 61 -2.473 3.699 -1.814 1.00 54.11 O ATOM 953 CB PHE A 61 -1.006 2.260 -4.211 1.00 12.12 C ATOM 954 CG PHE A 61 0.289 2.962 -3.919 1.00 43.14 C ATOM 955 CD1 PHE A 61 1.297 2.321 -3.218 1.00 25.41 C ATOM 956 CD2 PHE A 61 0.499 4.263 -4.347 1.00 42.12 C ATOM 957 CE1 PHE A 61 2.490 2.965 -2.948 1.00 21.42 C ATOM 958 CE2 PHE A 61 1.690 4.912 -4.080 1.00 40.14 C ATOM 959 CZ PHE A 61 2.687 4.261 -3.381 1.00 1.44 C ATOM 0 H PHE A 61 -3.709 2.163 -3.414 1.00 55.55 H new ATOM 0 HA PHE A 61 -1.193 0.836 -2.612 1.00 70.20 H new ATOM 0 HB2 PHE A 61 -0.815 1.429 -4.889 1.00 12.12 H new ATOM 0 HB3 PHE A 61 -1.674 2.947 -4.730 1.00 12.12 H new ATOM 0 HD1 PHE A 61 1.149 1.306 -2.878 1.00 25.41 H new ATOM 0 HD2 PHE A 61 -0.277 4.776 -4.896 1.00 42.12 H new ATOM 0 HE1 PHE A 61 3.267 2.455 -2.399 1.00 21.42 H new ATOM 0 HE2 PHE A 61 1.840 5.927 -4.418 1.00 40.14 H new ATOM 0 HZ PHE A 61 3.619 4.765 -3.173 1.00 1.44 H new ATOM 969 N ALA A 62 -0.691 2.632 -0.950 1.00 73.43 N ATOM 970 CA ALA A 62 -0.531 3.565 0.157 1.00 11.35 C ATOM 971 C ALA A 62 0.933 3.949 0.345 1.00 52.14 C ATOM 972 O ALA A 62 1.797 3.085 0.488 1.00 41.53 O ATOM 973 CB ALA A 62 -1.089 2.964 1.439 1.00 12.31 C ATOM 0 H ALA A 62 -0.008 1.875 -0.966 1.00 73.43 H new ATOM 0 HA ALA A 62 -1.089 4.470 -0.081 1.00 11.35 H new ATOM 0 HB1 ALA A 62 -0.963 3.672 2.258 1.00 12.31 H new ATOM 0 HB2 ALA A 62 -2.149 2.747 1.308 1.00 12.31 H new ATOM 0 HB3 ALA A 62 -0.556 2.042 1.671 1.00 12.31 H new ATOM 979 N ASN A 63 1.204 5.250 0.342 1.00 54.33 N ATOM 980 CA ASN A 63 2.564 5.748 0.510 1.00 50.20 C ATOM 981 C ASN A 63 2.861 6.033 1.979 1.00 2.11 C ATOM 982 O ASN A 63 2.274 6.934 2.579 1.00 21.31 O ATOM 983 CB ASN A 63 2.771 7.017 -0.319 1.00 40.32 C ATOM 984 CG ASN A 63 4.219 7.467 -0.336 1.00 1.44 C ATOM 985 OD1 ASN A 63 4.821 7.698 0.713 1.00 20.23 O ATOM 986 ND2 ASN A 63 4.785 7.595 -1.530 1.00 3.10 N ATOM 0 H ASN A 63 0.500 5.978 0.225 1.00 54.33 H new ATOM 0 HA ASN A 63 3.252 4.978 0.161 1.00 50.20 H new ATOM 0 HB2 ASN A 63 2.437 6.838 -1.341 1.00 40.32 H new ATOM 0 HB3 ASN A 63 2.150 7.817 0.084 1.00 40.32 H new ATOM 0 HD21 ASN A 63 5.757 7.896 -1.604 1.00 3.10 H new ATOM 0 HD22 ASN A 63 4.248 7.393 -2.373 1.00 3.10 H new ATOM 993 N PHE A 64 3.777 5.260 2.553 1.00 61.45 N ATOM 994 CA PHE A 64 4.153 5.428 3.951 1.00 14.05 C ATOM 995 C PHE A 64 4.937 6.721 4.152 1.00 3.21 C ATOM 996 O PHE A 64 5.908 6.988 3.443 1.00 13.30 O ATOM 997 CB PHE A 64 4.985 4.235 4.425 1.00 33.44 C ATOM 998 CG PHE A 64 4.269 3.360 5.414 1.00 32.34 C ATOM 999 CD1 PHE A 64 4.066 3.786 6.717 1.00 54.31 C ATOM 1000 CD2 PHE A 64 3.798 2.111 5.041 1.00 25.14 C ATOM 1001 CE1 PHE A 64 3.408 2.983 7.629 1.00 71.21 C ATOM 1002 CE2 PHE A 64 3.140 1.303 5.949 1.00 14.10 C ATOM 1003 CZ PHE A 64 2.943 1.740 7.244 1.00 2.23 C ATOM 0 H PHE A 64 4.273 4.510 2.071 1.00 61.45 H new ATOM 0 HA PHE A 64 3.239 5.482 4.542 1.00 14.05 H new ATOM 0 HB2 PHE A 64 5.270 3.635 3.561 1.00 33.44 H new ATOM 0 HB3 PHE A 64 5.907 4.602 4.877 1.00 33.44 H new ATOM 0 HD1 PHE A 64 4.426 4.757 7.023 1.00 54.31 H new ATOM 0 HD2 PHE A 64 3.947 1.765 4.029 1.00 25.14 H new ATOM 0 HE1 PHE A 64 3.257 3.327 8.642 1.00 71.21 H new ATOM 0 HE2 PHE A 64 2.780 0.331 5.646 1.00 14.10 H new ATOM 0 HZ PHE A 64 2.427 1.112 7.954 1.00 2.23 H new ATOM 1013 N VAL A 65 4.509 7.521 5.123 1.00 4.45 N ATOM 1014 CA VAL A 65 5.171 8.787 5.419 1.00 61.41 C ATOM 1015 C VAL A 65 6.624 8.565 5.826 1.00 54.33 C ATOM 1016 O VAL A 65 7.463 9.454 5.679 1.00 25.44 O ATOM 1017 CB VAL A 65 4.445 9.551 6.542 1.00 25.43 C ATOM 1018 CG1 VAL A 65 5.256 10.764 6.973 1.00 74.12 C ATOM 1019 CG2 VAL A 65 3.052 9.962 6.092 1.00 11.12 C ATOM 0 H VAL A 65 3.707 7.315 5.718 1.00 4.45 H new ATOM 0 HA VAL A 65 5.139 9.382 4.506 1.00 61.41 H new ATOM 0 HB VAL A 65 4.343 8.889 7.402 1.00 25.43 H new ATOM 0 HG11 VAL A 65 4.728 11.292 7.767 1.00 74.12 H new ATOM 0 HG12 VAL A 65 6.230 10.439 7.339 1.00 74.12 H new ATOM 0 HG13 VAL A 65 5.392 11.432 6.122 1.00 74.12 H new ATOM 0 HG21 VAL A 65 2.553 10.501 6.898 1.00 11.12 H new ATOM 0 HG22 VAL A 65 3.128 10.607 5.217 1.00 11.12 H new ATOM 0 HG23 VAL A 65 2.475 9.073 5.838 1.00 11.12 H new ATOM 1029 N LYS A 66 6.914 7.374 6.337 1.00 31.12 N ATOM 1030 CA LYS A 66 8.266 7.033 6.764 1.00 33.14 C ATOM 1031 C LYS A 66 8.734 5.739 6.106 1.00 45.53 C ATOM 1032 O LYS A 66 8.048 5.183 5.249 1.00 70.43 O ATOM 1033 CB LYS A 66 8.321 6.891 8.287 1.00 11.32 C ATOM 1034 CG LYS A 66 7.198 6.044 8.860 1.00 23.24 C ATOM 1035 CD LYS A 66 6.028 6.901 9.313 1.00 21.23 C ATOM 1036 CE LYS A 66 6.155 7.289 10.779 1.00 63.55 C ATOM 1037 NZ LYS A 66 5.130 6.614 11.622 1.00 53.23 N ATOM 0 H LYS A 66 6.231 6.628 6.466 1.00 31.12 H new ATOM 0 HA LYS A 66 8.932 7.839 6.455 1.00 33.14 H new ATOM 0 HB2 LYS A 66 9.277 6.450 8.568 1.00 11.32 H new ATOM 0 HB3 LYS A 66 8.283 7.883 8.738 1.00 11.32 H new ATOM 0 HG2 LYS A 66 6.859 5.332 8.108 1.00 23.24 H new ATOM 0 HG3 LYS A 66 7.573 5.464 9.703 1.00 23.24 H new ATOM 0 HD2 LYS A 66 5.977 7.801 8.701 1.00 21.23 H new ATOM 0 HD3 LYS A 66 5.096 6.357 9.159 1.00 21.23 H new ATOM 0 HE2 LYS A 66 7.150 7.028 11.139 1.00 63.55 H new ATOM 0 HE3 LYS A 66 6.053 8.370 10.879 1.00 63.55 H new ATOM 0 HZ1 LYS A 66 5.250 6.904 12.613 1.00 53.23 H new ATOM 0 HZ2 LYS A 66 4.180 6.883 11.295 1.00 53.23 H new ATOM 0 HZ3 LYS A 66 5.243 5.583 11.547 1.00 53.23 H new ATOM 1051 N LYS A 67 9.907 5.265 6.512 1.00 2.21 N ATOM 1052 CA LYS A 67 10.467 4.036 5.964 1.00 23.40 C ATOM 1053 C LYS A 67 9.984 2.820 6.749 1.00 3.42 C ATOM 1054 O LYS A 67 10.165 2.744 7.964 1.00 13.22 O ATOM 1055 CB LYS A 67 11.996 4.094 5.984 1.00 5.21 C ATOM 1056 CG LYS A 67 12.569 5.288 5.240 1.00 2.01 C ATOM 1057 CD LYS A 67 13.430 4.853 4.066 1.00 23.22 C ATOM 1058 CE LYS A 67 14.097 6.043 3.392 1.00 35.43 C ATOM 1059 NZ LYS A 67 15.309 5.639 2.627 1.00 55.43 N ATOM 0 H LYS A 67 10.489 5.714 7.219 1.00 2.21 H new ATOM 0 HA LYS A 67 10.126 3.940 4.933 1.00 23.40 H new ATOM 0 HB2 LYS A 67 12.337 4.124 7.019 1.00 5.21 H new ATOM 0 HB3 LYS A 67 12.392 3.178 5.544 1.00 5.21 H new ATOM 0 HG2 LYS A 67 11.756 5.919 4.882 1.00 2.01 H new ATOM 0 HG3 LYS A 67 13.164 5.893 5.924 1.00 2.01 H new ATOM 0 HD2 LYS A 67 14.192 4.155 4.412 1.00 23.22 H new ATOM 0 HD3 LYS A 67 12.815 4.320 3.341 1.00 23.22 H new ATOM 0 HE2 LYS A 67 13.387 6.525 2.720 1.00 35.43 H new ATOM 0 HE3 LYS A 67 14.372 6.780 4.146 1.00 35.43 H new ATOM 0 HZ1 LYS A 67 15.735 6.478 2.183 1.00 55.43 H new ATOM 0 HZ2 LYS A 67 15.997 5.202 3.273 1.00 55.43 H new ATOM 0 HZ3 LYS A 67 15.043 4.955 1.891 1.00 55.43 H new ATOM 1073 N GLN A 68 9.372 1.873 6.047 1.00 73.13 N ATOM 1074 CA GLN A 68 8.864 0.661 6.679 1.00 0.24 C ATOM 1075 C GLN A 68 9.226 -0.573 5.860 1.00 30.22 C ATOM 1076 O GLN A 68 9.404 -0.495 4.644 1.00 2.11 O ATOM 1077 CB GLN A 68 7.346 0.747 6.850 1.00 4.45 C ATOM 1078 CG GLN A 68 6.896 1.922 7.704 1.00 41.02 C ATOM 1079 CD GLN A 68 7.256 1.753 9.167 1.00 62.44 C ATOM 1080 OE1 GLN A 68 8.426 1.590 9.515 1.00 31.31 O ATOM 1081 NE2 GLN A 68 6.250 1.790 10.032 1.00 1.45 N ATOM 0 H GLN A 68 9.216 1.921 5.040 1.00 73.13 H new ATOM 0 HA GLN A 68 9.329 0.572 7.661 1.00 0.24 H new ATOM 0 HB2 GLN A 68 6.882 0.824 5.867 1.00 4.45 H new ATOM 0 HB3 GLN A 68 6.986 -0.178 7.301 1.00 4.45 H new ATOM 0 HG2 GLN A 68 7.352 2.837 7.325 1.00 41.02 H new ATOM 0 HG3 GLN A 68 5.817 2.041 7.611 1.00 41.02 H new ATOM 0 HE21 GLN A 68 5.296 1.927 9.699 1.00 1.45 H new ATOM 0 HE22 GLN A 68 6.431 1.681 11.030 1.00 1.45 H new ATOM 1090 N THR A 69 9.334 -1.714 6.534 1.00 32.12 N ATOM 1091 CA THR A 69 9.676 -2.965 5.869 1.00 20.15 C ATOM 1092 C THR A 69 8.425 -3.763 5.521 1.00 54.44 C ATOM 1093 O THR A 69 7.318 -3.412 5.932 1.00 62.15 O ATOM 1094 CB THR A 69 10.597 -3.834 6.747 1.00 33.01 C ATOM 1095 OG1 THR A 69 9.827 -4.503 7.752 1.00 72.30 O ATOM 1096 CG2 THR A 69 11.673 -2.986 7.407 1.00 44.00 C ATOM 0 H THR A 69 9.189 -1.797 7.540 1.00 32.12 H new ATOM 0 HA THR A 69 10.202 -2.701 4.952 1.00 20.15 H new ATOM 0 HB THR A 69 11.080 -4.573 6.108 1.00 33.01 H new ATOM 0 HG1 THR A 69 10.419 -5.055 8.305 1.00 72.30 H new ATOM 0 HG21 THR A 69 12.311 -3.621 8.022 1.00 44.00 H new ATOM 0 HG22 THR A 69 12.276 -2.501 6.639 1.00 44.00 H new ATOM 0 HG23 THR A 69 11.205 -2.227 8.034 1.00 44.00 H new ATOM 1104 N PHE A 70 8.606 -4.838 4.761 1.00 44.54 N ATOM 1105 CA PHE A 70 7.491 -5.685 4.356 1.00 30.31 C ATOM 1106 C PHE A 70 6.809 -6.304 5.573 1.00 54.42 C ATOM 1107 O PHE A 70 5.598 -6.177 5.750 1.00 72.04 O ATOM 1108 CB PHE A 70 7.977 -6.789 3.414 1.00 10.21 C ATOM 1109 CG PHE A 70 7.056 -7.974 3.354 1.00 40.25 C ATOM 1110 CD1 PHE A 70 5.904 -7.934 2.585 1.00 60.03 C ATOM 1111 CD2 PHE A 70 7.342 -9.127 4.066 1.00 61.32 C ATOM 1112 CE1 PHE A 70 5.055 -9.023 2.526 1.00 14.14 C ATOM 1113 CE2 PHE A 70 6.497 -10.219 4.011 1.00 33.31 C ATOM 1114 CZ PHE A 70 5.351 -10.167 3.241 1.00 10.45 C ATOM 0 H PHE A 70 9.515 -5.143 4.413 1.00 44.54 H new ATOM 0 HA PHE A 70 6.766 -5.062 3.832 1.00 30.31 H new ATOM 0 HB2 PHE A 70 8.091 -6.376 2.412 1.00 10.21 H new ATOM 0 HB3 PHE A 70 8.964 -7.122 3.736 1.00 10.21 H new ATOM 0 HD1 PHE A 70 5.667 -7.041 2.025 1.00 60.03 H new ATOM 0 HD2 PHE A 70 8.235 -9.173 4.671 1.00 61.32 H new ATOM 0 HE1 PHE A 70 4.161 -8.979 1.921 1.00 14.14 H new ATOM 0 HE2 PHE A 70 6.732 -11.113 4.570 1.00 33.31 H new ATOM 0 HZ PHE A 70 4.688 -11.019 3.198 1.00 10.45 H new ATOM 1124 N ASN A 71 7.596 -6.973 6.408 1.00 32.44 N ATOM 1125 CA ASN A 71 7.068 -7.613 7.608 1.00 3.03 C ATOM 1126 C ASN A 71 6.447 -6.582 8.546 1.00 72.13 C ATOM 1127 O ASN A 71 5.389 -6.816 9.131 1.00 23.42 O ATOM 1128 CB ASN A 71 8.178 -8.376 8.335 1.00 50.24 C ATOM 1129 CG ASN A 71 7.867 -9.853 8.476 1.00 60.43 C ATOM 1130 OD1 ASN A 71 6.896 -10.235 9.129 1.00 74.14 O ATOM 1131 ND2 ASN A 71 8.693 -10.693 7.862 1.00 3.14 N ATOM 0 H ASN A 71 8.601 -7.086 6.277 1.00 32.44 H new ATOM 0 HA ASN A 71 6.292 -8.315 7.303 1.00 3.03 H new ATOM 0 HB2 ASN A 71 9.115 -8.255 7.791 1.00 50.24 H new ATOM 0 HB3 ASN A 71 8.326 -7.942 9.324 1.00 50.24 H new ATOM 0 HD21 ASN A 71 8.534 -11.699 7.921 1.00 3.14 H new ATOM 0 HD22 ASN A 71 9.486 -10.332 7.331 1.00 3.14 H new ATOM 1138 N LYS A 72 7.111 -5.439 8.683 1.00 34.30 N ATOM 1139 CA LYS A 72 6.624 -4.370 9.547 1.00 21.42 C ATOM 1140 C LYS A 72 5.304 -3.809 9.028 1.00 64.02 C ATOM 1141 O LYS A 72 4.336 -3.679 9.777 1.00 72.34 O ATOM 1142 CB LYS A 72 7.664 -3.252 9.644 1.00 52.44 C ATOM 1143 CG LYS A 72 7.652 -2.524 10.977 1.00 52.54 C ATOM 1144 CD LYS A 72 6.282 -1.942 11.282 1.00 52.41 C ATOM 1145 CE LYS A 72 6.320 -1.039 12.506 1.00 74.42 C ATOM 1146 NZ LYS A 72 6.962 -1.710 13.670 1.00 74.41 N ATOM 0 H LYS A 72 7.988 -5.229 8.207 1.00 34.30 H new ATOM 0 HA LYS A 72 6.455 -4.787 10.540 1.00 21.42 H new ATOM 0 HB2 LYS A 72 8.655 -3.674 9.479 1.00 52.44 H new ATOM 0 HB3 LYS A 72 7.487 -2.532 8.845 1.00 52.44 H new ATOM 0 HG2 LYS A 72 7.941 -3.212 11.771 1.00 52.54 H new ATOM 0 HG3 LYS A 72 8.393 -1.725 10.963 1.00 52.54 H new ATOM 0 HD2 LYS A 72 5.926 -1.375 10.421 1.00 52.41 H new ATOM 0 HD3 LYS A 72 5.570 -2.751 11.447 1.00 52.41 H new ATOM 0 HE2 LYS A 72 6.865 -0.126 12.267 1.00 74.42 H new ATOM 0 HE3 LYS A 72 5.305 -0.744 12.771 1.00 74.42 H new ATOM 0 HZ1 LYS A 72 6.776 -1.161 14.533 1.00 74.41 H new ATOM 0 HZ2 LYS A 72 6.571 -2.668 13.778 1.00 74.41 H new ATOM 0 HZ3 LYS A 72 7.988 -1.771 13.513 1.00 74.41 H new ATOM 1160 N VAL A 73 5.273 -3.479 7.741 1.00 54.44 N ATOM 1161 CA VAL A 73 4.071 -2.934 7.121 1.00 52.44 C ATOM 1162 C VAL A 73 2.870 -3.843 7.356 1.00 63.42 C ATOM 1163 O VAL A 73 1.725 -3.393 7.348 1.00 15.24 O ATOM 1164 CB VAL A 73 4.262 -2.735 5.605 1.00 34.32 C ATOM 1165 CG1 VAL A 73 2.924 -2.477 4.928 1.00 45.32 C ATOM 1166 CG2 VAL A 73 5.234 -1.597 5.336 1.00 62.04 C ATOM 0 H VAL A 73 6.066 -3.579 7.108 1.00 54.44 H new ATOM 0 HA VAL A 73 3.886 -1.966 7.587 1.00 52.44 H new ATOM 0 HB VAL A 73 4.684 -3.649 5.186 1.00 34.32 H new ATOM 0 HG11 VAL A 73 3.078 -2.339 3.858 1.00 45.32 H new ATOM 0 HG12 VAL A 73 2.263 -3.328 5.092 1.00 45.32 H new ATOM 0 HG13 VAL A 73 2.471 -1.579 5.348 1.00 45.32 H new ATOM 0 HG21 VAL A 73 5.357 -1.470 4.260 1.00 62.04 H new ATOM 0 HG22 VAL A 73 4.844 -0.675 5.768 1.00 62.04 H new ATOM 0 HG23 VAL A 73 6.199 -1.828 5.787 1.00 62.04 H new ATOM 1176 N LYS A 74 3.140 -5.127 7.565 1.00 21.51 N ATOM 1177 CA LYS A 74 2.083 -6.103 7.805 1.00 40.32 C ATOM 1178 C LYS A 74 1.357 -5.807 9.113 1.00 35.31 C ATOM 1179 O LYS A 74 0.302 -6.378 9.390 1.00 13.14 O ATOM 1180 CB LYS A 74 2.665 -7.518 7.841 1.00 52.35 C ATOM 1181 CG LYS A 74 3.410 -7.901 6.574 1.00 74.35 C ATOM 1182 CD LYS A 74 3.035 -9.298 6.108 1.00 60.32 C ATOM 1183 CE LYS A 74 2.181 -9.256 4.850 1.00 65.34 C ATOM 1184 NZ LYS A 74 2.080 -10.594 4.203 1.00 44.10 N ATOM 0 H LYS A 74 4.083 -5.517 7.573 1.00 21.51 H new ATOM 0 HA LYS A 74 1.366 -6.033 6.987 1.00 40.32 H new ATOM 0 HB2 LYS A 74 3.343 -7.602 8.691 1.00 52.35 H new ATOM 0 HB3 LYS A 74 1.857 -8.230 8.007 1.00 52.35 H new ATOM 0 HG2 LYS A 74 3.185 -7.181 5.787 1.00 74.35 H new ATOM 0 HG3 LYS A 74 4.484 -7.852 6.753 1.00 74.35 H new ATOM 0 HD2 LYS A 74 3.940 -9.874 5.915 1.00 60.32 H new ATOM 0 HD3 LYS A 74 2.492 -9.813 6.900 1.00 60.32 H new ATOM 0 HE2 LYS A 74 1.183 -8.898 5.101 1.00 65.34 H new ATOM 0 HE3 LYS A 74 2.608 -8.543 4.145 1.00 65.34 H new ATOM 0 HZ1 LYS A 74 1.182 -10.661 3.683 1.00 44.10 H new ATOM 0 HZ2 LYS A 74 2.873 -10.721 3.542 1.00 44.10 H new ATOM 0 HZ3 LYS A 74 2.114 -11.335 4.932 1.00 44.10 H new ATOM 1198 N TRP A 75 1.927 -4.912 9.912 1.00 73.43 N ATOM 1199 CA TRP A 75 1.332 -4.541 11.190 1.00 13.54 C ATOM 1200 C TRP A 75 0.066 -3.717 10.983 1.00 54.24 C ATOM 1201 O TRP A 75 -0.774 -3.615 11.878 1.00 43.43 O ATOM 1202 CB TRP A 75 2.335 -3.752 12.033 1.00 4.02 C ATOM 1203 CG TRP A 75 2.442 -2.311 11.636 1.00 14.32 C ATOM 1204 CD1 TRP A 75 2.451 -1.809 10.366 1.00 64.10 C ATOM 1205 CD2 TRP A 75 2.555 -1.186 12.515 1.00 42.13 C ATOM 1206 NE1 TRP A 75 2.564 -0.440 10.402 1.00 22.10 N ATOM 1207 CE2 TRP A 75 2.629 -0.033 11.708 1.00 33.24 C ATOM 1208 CE3 TRP A 75 2.600 -1.040 13.904 1.00 73.02 C ATOM 1209 CZ2 TRP A 75 2.745 1.245 12.247 1.00 44.40 C ATOM 1210 CZ3 TRP A 75 2.716 0.230 14.437 1.00 70.43 C ATOM 1211 CH2 TRP A 75 2.787 1.359 13.610 1.00 31.21 C ATOM 0 H TRP A 75 2.800 -4.430 9.697 1.00 73.43 H new ATOM 0 HA TRP A 75 1.065 -5.457 11.717 1.00 13.54 H new ATOM 0 HB2 TRP A 75 2.043 -3.812 13.082 1.00 4.02 H new ATOM 0 HB3 TRP A 75 3.316 -4.219 11.948 1.00 4.02 H new ATOM 0 HD1 TRP A 75 2.380 -2.401 9.466 1.00 64.10 H new ATOM 0 HE1 TRP A 75 2.595 0.174 9.588 1.00 22.10 H new ATOM 0 HE3 TRP A 75 2.545 -1.904 14.550 1.00 73.02 H new ATOM 0 HZ2 TRP A 75 2.800 2.117 11.612 1.00 44.40 H new ATOM 0 HZ3 TRP A 75 2.753 0.354 15.509 1.00 70.43 H new ATOM 0 HH2 TRP A 75 2.877 2.338 14.057 1.00 31.21 H new ATOM 1222 N TYR A 76 -0.066 -3.131 9.798 1.00 71.45 N ATOM 1223 CA TYR A 76 -1.230 -2.315 9.474 1.00 43.53 C ATOM 1224 C TYR A 76 -2.069 -2.971 8.381 1.00 1.55 C ATOM 1225 O TYR A 76 -3.283 -3.126 8.523 1.00 24.25 O ATOM 1226 CB TYR A 76 -0.791 -0.919 9.026 1.00 21.24 C ATOM 1227 CG TYR A 76 -0.971 0.142 10.088 1.00 35.24 C ATOM 1228 CD1 TYR A 76 -2.108 0.168 10.887 1.00 72.43 C ATOM 1229 CD2 TYR A 76 -0.004 1.118 10.294 1.00 13.20 C ATOM 1230 CE1 TYR A 76 -2.277 1.136 11.858 1.00 75.35 C ATOM 1231 CE2 TYR A 76 -0.164 2.089 11.264 1.00 54.24 C ATOM 1232 CZ TYR A 76 -1.303 2.094 12.042 1.00 2.03 C ATOM 1233 OH TYR A 76 -1.467 3.059 13.009 1.00 11.23 O ATOM 0 H TYR A 76 0.619 -3.206 9.046 1.00 71.45 H new ATOM 0 HA TYR A 76 -1.841 -2.227 10.372 1.00 43.53 H new ATOM 0 HB2 TYR A 76 0.258 -0.954 8.733 1.00 21.24 H new ATOM 0 HB3 TYR A 76 -1.360 -0.635 8.141 1.00 21.24 H new ATOM 0 HD1 TYR A 76 -2.873 -0.582 10.746 1.00 72.43 H new ATOM 0 HD2 TYR A 76 0.888 1.118 9.685 1.00 13.20 H new ATOM 0 HE1 TYR A 76 -3.167 1.142 12.470 1.00 75.35 H new ATOM 0 HE2 TYR A 76 0.598 2.840 11.412 1.00 54.24 H new ATOM 0 HH TYR A 76 -0.590 3.334 13.349 1.00 11.23 H new ATOM 1243 N LEU A 77 -1.414 -3.354 7.291 1.00 23.04 N ATOM 1244 CA LEU A 77 -2.098 -3.995 6.173 1.00 4.43 C ATOM 1245 C LEU A 77 -2.549 -5.403 6.546 1.00 61.20 C ATOM 1246 O LEU A 77 -3.618 -5.853 6.135 1.00 1.41 O ATOM 1247 CB LEU A 77 -1.179 -4.048 4.951 1.00 14.40 C ATOM 1248 CG LEU A 77 -0.911 -2.713 4.255 1.00 3.11 C ATOM 1249 CD1 LEU A 77 0.124 -2.884 3.153 1.00 34.13 C ATOM 1250 CD2 LEU A 77 -2.201 -2.135 3.692 1.00 33.45 C ATOM 0 H LEU A 77 -0.410 -3.232 7.157 1.00 23.04 H new ATOM 0 HA LEU A 77 -2.981 -3.403 5.931 1.00 4.43 H new ATOM 0 HB2 LEU A 77 -0.223 -4.473 5.258 1.00 14.40 H new ATOM 0 HB3 LEU A 77 -1.614 -4.733 4.224 1.00 14.40 H new ATOM 0 HG LEU A 77 -0.516 -2.014 4.992 1.00 3.11 H new ATOM 0 HD11 LEU A 77 0.302 -1.924 2.669 1.00 34.13 H new ATOM 0 HD12 LEU A 77 1.056 -3.252 3.583 1.00 34.13 H new ATOM 0 HD13 LEU A 77 -0.243 -3.599 2.417 1.00 34.13 H new ATOM 0 HD21 LEU A 77 -1.990 -1.185 3.201 1.00 33.45 H new ATOM 0 HD22 LEU A 77 -2.626 -2.831 2.969 1.00 33.45 H new ATOM 0 HD23 LEU A 77 -2.912 -1.974 4.503 1.00 33.45 H new ATOM 1262 N GLY A 78 -1.727 -6.095 7.329 1.00 2.13 N ATOM 1263 CA GLY A 78 -2.060 -7.445 7.746 1.00 3.52 C ATOM 1264 C GLY A 78 -1.496 -8.496 6.811 1.00 3.12 C ATOM 1265 O GLY A 78 -1.302 -8.240 5.623 1.00 1.13 O ATOM 0 H GLY A 78 -0.836 -5.745 7.682 1.00 2.13 H new ATOM 0 HA2 GLY A 78 -1.678 -7.616 8.752 1.00 3.52 H new ATOM 0 HA3 GLY A 78 -3.144 -7.550 7.794 1.00 3.52 H new ATOM 1269 N ALA A 79 -1.230 -9.682 7.349 1.00 60.05 N ATOM 1270 CA ALA A 79 -0.685 -10.776 6.554 1.00 50.20 C ATOM 1271 C ALA A 79 -1.760 -11.402 5.672 1.00 42.02 C ATOM 1272 O ALA A 79 -1.461 -11.968 4.620 1.00 23.54 O ATOM 1273 CB ALA A 79 -0.064 -11.828 7.460 1.00 33.44 C ATOM 0 H ALA A 79 -1.383 -9.910 8.331 1.00 60.05 H new ATOM 0 HA ALA A 79 0.090 -10.369 5.904 1.00 50.20 H new ATOM 0 HB1 ALA A 79 0.339 -12.639 6.853 1.00 33.44 H new ATOM 0 HB2 ALA A 79 0.739 -11.378 8.043 1.00 33.44 H new ATOM 0 HB3 ALA A 79 -0.824 -12.223 8.134 1.00 33.44 H new ATOM 1279 N ARG A 80 -3.011 -11.297 6.107 1.00 51.33 N ATOM 1280 CA ARG A 80 -4.130 -11.855 5.357 1.00 51.31 C ATOM 1281 C ARG A 80 -4.106 -11.377 3.908 1.00 65.22 C ATOM 1282 O ARG A 80 -4.434 -12.130 2.990 1.00 30.11 O ATOM 1283 CB ARG A 80 -5.456 -11.463 6.012 1.00 71.44 C ATOM 1284 CG ARG A 80 -5.527 -11.800 7.492 1.00 32.31 C ATOM 1285 CD ARG A 80 -6.712 -12.701 7.802 1.00 34.20 C ATOM 1286 NE ARG A 80 -6.663 -13.950 7.047 1.00 61.24 N ATOM 1287 CZ ARG A 80 -7.681 -14.799 6.963 1.00 21.41 C ATOM 1288 NH1 ARG A 80 -8.822 -14.535 7.585 1.00 42.04 N ATOM 1289 NH2 ARG A 80 -7.559 -15.916 6.256 1.00 0.41 N ATOM 0 H ARG A 80 -3.275 -10.831 6.975 1.00 51.33 H new ATOM 0 HA ARG A 80 -4.035 -12.941 5.365 1.00 51.31 H new ATOM 0 HB2 ARG A 80 -5.612 -10.392 5.884 1.00 71.44 H new ATOM 0 HB3 ARG A 80 -6.271 -11.968 5.493 1.00 71.44 H new ATOM 0 HG2 ARG A 80 -4.604 -12.292 7.799 1.00 32.31 H new ATOM 0 HG3 ARG A 80 -5.606 -10.881 8.072 1.00 32.31 H new ATOM 0 HD2 ARG A 80 -6.729 -12.923 8.869 1.00 34.20 H new ATOM 0 HD3 ARG A 80 -7.638 -12.174 7.571 1.00 34.20 H new ATOM 0 HE ARG A 80 -5.799 -14.183 6.557 1.00 61.24 H new ATOM 0 HH11 ARG A 80 -8.920 -13.678 8.130 1.00 42.04 H new ATOM 0 HH12 ARG A 80 -9.602 -15.189 7.519 1.00 42.04 H new ATOM 0 HH21 ARG A 80 -6.683 -16.123 5.777 1.00 0.41 H new ATOM 0 HH22 ARG A 80 -8.341 -16.567 6.192 1.00 0.41 H new ATOM 1303 N CYS A 81 -3.715 -10.123 3.710 1.00 31.14 N ATOM 1304 CA CYS A 81 -3.649 -9.544 2.373 1.00 21.40 C ATOM 1305 C CYS A 81 -2.209 -9.497 1.872 1.00 52.22 C ATOM 1306 O CYS A 81 -1.287 -9.189 2.628 1.00 72.20 O ATOM 1307 CB CYS A 81 -4.248 -8.137 2.373 1.00 34.53 C ATOM 1308 SG CYS A 81 -3.255 -6.912 3.257 1.00 41.14 S ATOM 0 H CYS A 81 -3.439 -9.488 4.459 1.00 31.14 H new ATOM 0 HA CYS A 81 -4.228 -10.177 1.701 1.00 21.40 H new ATOM 0 HB2 CYS A 81 -4.377 -7.809 1.342 1.00 34.53 H new ATOM 0 HB3 CYS A 81 -5.241 -8.176 2.821 1.00 34.53 H new ATOM 0 HG CYS A 81 -3.739 -6.741 4.452 1.00 41.14 H new ATOM 1314 N HIS A 82 -2.023 -9.805 0.592 1.00 11.02 N ATOM 1315 CA HIS A 82 -0.695 -9.798 -0.010 1.00 63.53 C ATOM 1316 C HIS A 82 -0.235 -8.372 -0.297 1.00 31.13 C ATOM 1317 O HIS A 82 -0.938 -7.603 -0.953 1.00 34.31 O ATOM 1318 CB HIS A 82 -0.694 -10.616 -1.302 1.00 64.22 C ATOM 1319 CG HIS A 82 0.672 -11.058 -1.730 1.00 31.41 C ATOM 1320 ND1 HIS A 82 1.421 -11.977 -1.025 1.00 74.21 N ATOM 1321 CD2 HIS A 82 1.423 -10.704 -2.799 1.00 0.13 C ATOM 1322 CE1 HIS A 82 2.574 -12.167 -1.641 1.00 32.41 C ATOM 1323 NE2 HIS A 82 2.600 -11.407 -2.720 1.00 41.34 N ATOM 0 H HIS A 82 -2.775 -10.062 -0.047 1.00 11.02 H new ATOM 0 HA HIS A 82 0.000 -10.249 0.698 1.00 63.53 H new ATOM 0 HB2 HIS A 82 -1.325 -11.494 -1.167 1.00 64.22 H new ATOM 0 HB3 HIS A 82 -1.141 -10.022 -2.099 1.00 64.22 H new ATOM 0 HD2 HIS A 82 1.148 -10.000 -3.570 1.00 0.13 H new ATOM 0 HE1 HIS A 82 3.362 -12.831 -1.317 1.00 32.41 H new ATOM 0 HE2 HIS A 82 3.370 -11.351 -3.387 1.00 41.34 H new ATOM 1331 N ILE A 83 0.948 -8.026 0.200 1.00 53.11 N ATOM 1332 CA ILE A 83 1.500 -6.692 -0.003 1.00 63.43 C ATOM 1333 C ILE A 83 2.787 -6.749 -0.819 1.00 62.24 C ATOM 1334 O ILE A 83 3.564 -7.697 -0.706 1.00 10.43 O ATOM 1335 CB ILE A 83 1.787 -5.991 1.338 1.00 74.33 C ATOM 1336 CG1 ILE A 83 2.859 -6.754 2.118 1.00 32.33 C ATOM 1337 CG2 ILE A 83 0.510 -5.874 2.157 1.00 1.21 C ATOM 1338 CD1 ILE A 83 3.223 -6.107 3.436 1.00 15.40 C ATOM 0 H ILE A 83 1.542 -8.650 0.746 1.00 53.11 H new ATOM 0 HA ILE A 83 0.750 -6.120 -0.549 1.00 63.43 H new ATOM 0 HB ILE A 83 2.159 -4.987 1.135 1.00 74.33 H new ATOM 0 HG12 ILE A 83 2.507 -7.769 2.305 1.00 32.33 H new ATOM 0 HG13 ILE A 83 3.755 -6.836 1.503 1.00 32.33 H new ATOM 0 HG21 ILE A 83 0.728 -5.377 3.102 1.00 1.21 H new ATOM 0 HG22 ILE A 83 -0.226 -5.292 1.602 1.00 1.21 H new ATOM 0 HG23 ILE A 83 0.112 -6.869 2.354 1.00 1.21 H new ATOM 0 HD11 ILE A 83 3.988 -6.702 3.934 1.00 15.40 H new ATOM 0 HD12 ILE A 83 3.605 -5.102 3.255 1.00 15.40 H new ATOM 0 HD13 ILE A 83 2.338 -6.050 4.070 1.00 15.40 H new ATOM 1350 N GLU A 84 3.006 -5.727 -1.641 1.00 21.11 N ATOM 1351 CA GLU A 84 4.200 -5.661 -2.475 1.00 42.13 C ATOM 1352 C GLU A 84 4.618 -4.213 -2.713 1.00 5.35 C ATOM 1353 O GLU A 84 3.843 -3.284 -2.483 1.00 31.52 O ATOM 1354 CB GLU A 84 3.953 -6.358 -3.815 1.00 14.31 C ATOM 1355 CG GLU A 84 5.118 -7.214 -4.280 1.00 63.01 C ATOM 1356 CD GLU A 84 5.873 -6.593 -5.440 1.00 15.55 C ATOM 1357 OE1 GLU A 84 5.216 -6.049 -6.352 1.00 60.21 O ATOM 1358 OE2 GLU A 84 7.120 -6.650 -5.433 1.00 42.45 O ATOM 0 H GLU A 84 2.373 -4.934 -1.747 1.00 21.11 H new ATOM 0 HA GLU A 84 5.007 -6.173 -1.950 1.00 42.13 H new ATOM 0 HB2 GLU A 84 3.064 -6.984 -3.731 1.00 14.31 H new ATOM 0 HB3 GLU A 84 3.742 -5.604 -4.573 1.00 14.31 H new ATOM 0 HG2 GLU A 84 5.804 -7.371 -3.447 1.00 63.01 H new ATOM 0 HG3 GLU A 84 4.747 -8.195 -4.576 1.00 63.01 H new ATOM 1365 N LYS A 85 5.851 -4.027 -3.173 1.00 52.04 N ATOM 1366 CA LYS A 85 6.374 -2.693 -3.443 1.00 64.22 C ATOM 1367 C LYS A 85 5.804 -2.137 -4.744 1.00 73.50 C ATOM 1368 O LYS A 85 5.782 -2.823 -5.766 1.00 3.30 O ATOM 1369 CB LYS A 85 7.903 -2.728 -3.518 1.00 75.32 C ATOM 1370 CG LYS A 85 8.437 -3.655 -4.596 1.00 25.41 C ATOM 1371 CD LYS A 85 9.952 -3.761 -4.539 1.00 22.43 C ATOM 1372 CE LYS A 85 10.413 -5.209 -4.618 1.00 50.24 C ATOM 1373 NZ LYS A 85 10.489 -5.690 -6.026 1.00 1.04 N ATOM 0 H LYS A 85 6.507 -4.784 -3.367 1.00 52.04 H new ATOM 0 HA LYS A 85 6.070 -2.039 -2.625 1.00 64.22 H new ATOM 0 HB2 LYS A 85 8.273 -1.719 -3.702 1.00 75.32 H new ATOM 0 HB3 LYS A 85 8.299 -3.041 -2.552 1.00 75.32 H new ATOM 0 HG2 LYS A 85 7.997 -4.645 -4.476 1.00 25.41 H new ATOM 0 HG3 LYS A 85 8.134 -3.288 -5.576 1.00 25.41 H new ATOM 0 HD2 LYS A 85 10.389 -3.194 -5.361 1.00 22.43 H new ATOM 0 HD3 LYS A 85 10.315 -3.313 -3.614 1.00 22.43 H new ATOM 0 HE2 LYS A 85 11.392 -5.305 -4.148 1.00 50.24 H new ATOM 0 HE3 LYS A 85 9.726 -5.840 -4.055 1.00 50.24 H new ATOM 0 HZ1 LYS A 85 10.807 -6.680 -6.038 1.00 1.04 H new ATOM 0 HZ2 LYS A 85 9.550 -5.622 -6.467 1.00 1.04 H new ATOM 0 HZ3 LYS A 85 11.164 -5.104 -6.557 1.00 1.04 H new ATOM 1387 N ALA A 86 5.344 -0.891 -4.699 1.00 32.55 N ATOM 1388 CA ALA A 86 4.777 -0.243 -5.874 1.00 74.13 C ATOM 1389 C ALA A 86 5.866 0.395 -6.729 1.00 5.55 C ATOM 1390 O ALA A 86 6.960 0.685 -6.243 1.00 43.44 O ATOM 1391 CB ALA A 86 3.750 0.800 -5.458 1.00 43.32 C ATOM 0 H ALA A 86 5.353 -0.310 -3.861 1.00 32.55 H new ATOM 0 HA ALA A 86 4.281 -1.006 -6.475 1.00 74.13 H new ATOM 0 HB1 ALA A 86 3.335 1.276 -6.346 1.00 43.32 H new ATOM 0 HB2 ALA A 86 2.949 0.319 -4.896 1.00 43.32 H new ATOM 0 HB3 ALA A 86 4.229 1.553 -4.833 1.00 43.32 H new ATOM 1397 N LYS A 87 5.562 0.612 -8.004 1.00 33.24 N ATOM 1398 CA LYS A 87 6.515 1.217 -8.927 1.00 34.34 C ATOM 1399 C LYS A 87 5.815 2.187 -9.873 1.00 13.13 C ATOM 1400 O LYS A 87 4.691 1.942 -10.308 1.00 55.43 O ATOM 1401 CB LYS A 87 7.235 0.133 -9.732 1.00 34.42 C ATOM 1402 CG LYS A 87 6.293 -0.849 -10.409 1.00 1.54 C ATOM 1403 CD LYS A 87 6.968 -1.559 -11.570 1.00 5.13 C ATOM 1404 CE LYS A 87 5.980 -2.407 -12.355 1.00 51.34 C ATOM 1405 NZ LYS A 87 6.538 -2.838 -13.667 1.00 4.32 N ATOM 0 H LYS A 87 4.662 0.378 -8.422 1.00 33.24 H new ATOM 0 HA LYS A 87 7.247 1.773 -8.341 1.00 34.34 H new ATOM 0 HB2 LYS A 87 7.857 0.608 -10.490 1.00 34.42 H new ATOM 0 HB3 LYS A 87 7.904 -0.416 -9.069 1.00 34.42 H new ATOM 0 HG2 LYS A 87 5.949 -1.585 -9.682 1.00 1.54 H new ATOM 0 HG3 LYS A 87 5.411 -0.319 -10.769 1.00 1.54 H new ATOM 0 HD2 LYS A 87 7.424 -0.823 -12.232 1.00 5.13 H new ATOM 0 HD3 LYS A 87 7.772 -2.191 -11.193 1.00 5.13 H new ATOM 0 HE2 LYS A 87 5.710 -3.286 -11.769 1.00 51.34 H new ATOM 0 HE3 LYS A 87 5.064 -1.839 -12.519 1.00 51.34 H new ATOM 0 HZ1 LYS A 87 5.834 -3.414 -14.171 1.00 4.32 H new ATOM 0 HZ2 LYS A 87 6.772 -2.000 -14.237 1.00 4.32 H new ATOM 0 HZ3 LYS A 87 7.398 -3.402 -13.510 1.00 4.32 H new ATOM 1419 N GLY A 88 6.489 3.289 -10.188 1.00 15.31 N ATOM 1420 CA GLY A 88 5.916 4.279 -11.082 1.00 33.23 C ATOM 1421 C GLY A 88 5.738 5.628 -10.415 1.00 0.41 C ATOM 1422 O GLY A 88 6.085 5.803 -9.246 1.00 45.44 O ATOM 0 H GLY A 88 7.421 3.514 -9.840 1.00 15.31 H new ATOM 0 HA2 GLY A 88 6.559 4.391 -11.955 1.00 33.23 H new ATOM 0 HA3 GLY A 88 4.950 3.924 -11.441 1.00 33.23 H new ATOM 1426 N THR A 89 5.197 6.588 -11.159 1.00 75.11 N ATOM 1427 CA THR A 89 4.976 7.930 -10.634 1.00 61.54 C ATOM 1428 C THR A 89 3.631 8.028 -9.923 1.00 63.33 C ATOM 1429 O THR A 89 2.844 7.081 -9.931 1.00 10.25 O ATOM 1430 CB THR A 89 5.030 8.986 -11.754 1.00 5.43 C ATOM 1431 OG1 THR A 89 3.838 8.925 -12.544 1.00 31.11 O ATOM 1432 CG2 THR A 89 6.246 8.771 -12.643 1.00 32.12 C ATOM 0 H THR A 89 4.904 6.461 -12.128 1.00 75.11 H new ATOM 0 HA THR A 89 5.776 8.126 -9.920 1.00 61.54 H new ATOM 0 HB THR A 89 5.108 9.970 -11.291 1.00 5.43 H new ATOM 0 HG1 THR A 89 4.001 8.378 -13.341 1.00 31.11 H new ATOM 0 HG21 THR A 89 6.263 9.529 -13.426 1.00 32.12 H new ATOM 0 HG22 THR A 89 7.153 8.849 -12.044 1.00 32.12 H new ATOM 0 HG23 THR A 89 6.195 7.781 -13.097 1.00 32.12 H new ATOM 1440 N ASP A 90 3.374 9.178 -9.311 1.00 30.03 N ATOM 1441 CA ASP A 90 2.122 9.400 -8.596 1.00 5.41 C ATOM 1442 C ASP A 90 0.924 9.121 -9.498 1.00 24.41 C ATOM 1443 O ASP A 90 -0.068 8.536 -9.064 1.00 4.04 O ATOM 1444 CB ASP A 90 2.058 10.836 -8.072 1.00 32.22 C ATOM 1445 CG ASP A 90 0.736 11.147 -7.397 1.00 24.32 C ATOM 1446 OD1 ASP A 90 0.458 10.551 -6.335 1.00 44.22 O ATOM 1447 OD2 ASP A 90 -0.020 11.985 -7.931 1.00 32.03 O ATOM 0 H ASP A 90 4.015 9.971 -9.295 1.00 30.03 H new ATOM 0 HA ASP A 90 2.087 8.711 -7.752 1.00 5.41 H new ATOM 0 HB2 ASP A 90 2.871 10.998 -7.364 1.00 32.22 H new ATOM 0 HB3 ASP A 90 2.212 11.529 -8.899 1.00 32.22 H new ATOM 1452 N GLN A 91 1.025 9.543 -10.754 1.00 55.11 N ATOM 1453 CA GLN A 91 -0.052 9.339 -11.716 1.00 51.22 C ATOM 1454 C GLN A 91 -0.187 7.864 -12.078 1.00 20.34 C ATOM 1455 O GLN A 91 -1.292 7.366 -12.290 1.00 53.34 O ATOM 1456 CB GLN A 91 0.201 10.165 -12.979 1.00 33.31 C ATOM 1457 CG GLN A 91 -0.953 10.132 -13.968 1.00 51.31 C ATOM 1458 CD GLN A 91 -2.244 10.662 -13.376 1.00 52.24 C ATOM 1459 OE1 GLN A 91 -2.231 11.539 -12.512 1.00 44.21 O ATOM 1460 NE2 GLN A 91 -3.370 10.132 -13.840 1.00 22.42 N ATOM 0 H GLN A 91 1.840 10.028 -11.129 1.00 55.11 H new ATOM 0 HA GLN A 91 -0.984 9.668 -11.255 1.00 51.22 H new ATOM 0 HB2 GLN A 91 0.395 11.199 -12.694 1.00 33.31 H new ATOM 0 HB3 GLN A 91 1.101 9.795 -13.471 1.00 33.31 H new ATOM 0 HG2 GLN A 91 -0.691 10.722 -14.846 1.00 51.31 H new ATOM 0 HG3 GLN A 91 -1.107 9.108 -14.307 1.00 51.31 H new ATOM 0 HE21 GLN A 91 -3.335 9.407 -14.557 1.00 22.42 H new ATOM 0 HE22 GLN A 91 -4.270 10.450 -13.480 1.00 22.42 H new ATOM 1469 N GLN A 92 0.945 7.170 -12.145 1.00 51.23 N ATOM 1470 CA GLN A 92 0.952 5.752 -12.482 1.00 60.42 C ATOM 1471 C GLN A 92 0.292 4.927 -11.382 1.00 14.40 C ATOM 1472 O GLN A 92 -0.460 3.993 -11.659 1.00 4.40 O ATOM 1473 CB GLN A 92 2.385 5.267 -12.709 1.00 21.34 C ATOM 1474 CG GLN A 92 2.850 5.393 -14.150 1.00 54.45 C ATOM 1475 CD GLN A 92 2.421 6.700 -14.789 1.00 70.21 C ATOM 1476 OE1 GLN A 92 3.363 7.624 -14.936 1.00 1.41 O flip ATOM 1477 NE2 GLN A 92 1.256 6.876 -15.147 1.00 13.45 N flip ATOM 0 H GLN A 92 1.868 7.567 -11.970 1.00 51.23 H new ATOM 0 HA GLN A 92 0.381 5.621 -13.401 1.00 60.42 H new ATOM 0 HB2 GLN A 92 3.058 5.836 -12.068 1.00 21.34 H new ATOM 0 HB3 GLN A 92 2.459 4.224 -12.402 1.00 21.34 H new ATOM 0 HG2 GLN A 92 3.937 5.315 -14.185 1.00 54.45 H new ATOM 0 HG3 GLN A 92 2.452 4.561 -14.731 1.00 54.45 H new ATOM 0 HE21 GLN A 92 0.565 6.138 -15.015 1.00 13.45 H new ATOM 0 HE22 GLN A 92 0.982 7.760 -15.576 1.00 13.45 H new ATOM 1486 N ASN A 93 0.578 5.280 -10.133 1.00 33.22 N ATOM 1487 CA ASN A 93 0.012 4.572 -8.990 1.00 60.32 C ATOM 1488 C ASN A 93 -1.458 4.932 -8.801 1.00 34.23 C ATOM 1489 O ASN A 93 -2.302 4.058 -8.598 1.00 52.33 O ATOM 1490 CB ASN A 93 0.797 4.902 -7.719 1.00 64.23 C ATOM 1491 CG ASN A 93 2.297 4.835 -7.933 1.00 3.21 C ATOM 1492 OD1 ASN A 93 3.037 5.716 -7.496 1.00 5.44 O ATOM 1493 ND2 ASN A 93 2.753 3.787 -8.609 1.00 35.44 N ATOM 0 H ASN A 93 1.198 6.052 -9.887 1.00 33.22 H new ATOM 0 HA ASN A 93 0.084 3.502 -9.185 1.00 60.32 H new ATOM 0 HB2 ASN A 93 0.526 5.901 -7.376 1.00 64.23 H new ATOM 0 HB3 ASN A 93 0.514 4.206 -6.929 1.00 64.23 H new ATOM 0 HD21 ASN A 93 3.753 3.689 -8.784 1.00 35.44 H new ATOM 0 HD22 ASN A 93 2.103 3.080 -8.953 1.00 35.44 H new ATOM 1500 N LYS A 94 -1.759 6.224 -8.868 1.00 43.33 N ATOM 1501 CA LYS A 94 -3.127 6.702 -8.706 1.00 62.05 C ATOM 1502 C LYS A 94 -4.032 6.141 -9.799 1.00 44.41 C ATOM 1503 O LYS A 94 -5.125 5.651 -9.520 1.00 53.42 O ATOM 1504 CB LYS A 94 -3.162 8.232 -8.736 1.00 24.33 C ATOM 1505 CG LYS A 94 -4.540 8.814 -8.475 1.00 20.24 C ATOM 1506 CD LYS A 94 -4.493 10.328 -8.359 1.00 50.21 C ATOM 1507 CE LYS A 94 -5.561 10.986 -9.219 1.00 50.13 C ATOM 1508 NZ LYS A 94 -5.275 12.429 -9.452 1.00 23.11 N ATOM 0 H LYS A 94 -1.073 6.960 -9.034 1.00 43.33 H new ATOM 0 HA LYS A 94 -3.494 6.355 -7.740 1.00 62.05 H new ATOM 0 HB2 LYS A 94 -2.467 8.618 -7.990 1.00 24.33 H new ATOM 0 HB3 LYS A 94 -2.810 8.576 -9.708 1.00 24.33 H new ATOM 0 HG2 LYS A 94 -5.215 8.531 -9.283 1.00 20.24 H new ATOM 0 HG3 LYS A 94 -4.947 8.390 -7.557 1.00 20.24 H new ATOM 0 HD2 LYS A 94 -4.633 10.619 -7.318 1.00 50.21 H new ATOM 0 HD3 LYS A 94 -3.509 10.687 -8.661 1.00 50.21 H new ATOM 0 HE2 LYS A 94 -5.625 10.469 -10.177 1.00 50.13 H new ATOM 0 HE3 LYS A 94 -6.532 10.882 -8.735 1.00 50.13 H new ATOM 0 HZ1 LYS A 94 -6.026 12.841 -10.042 1.00 23.11 H new ATOM 0 HZ2 LYS A 94 -5.239 12.927 -8.540 1.00 23.11 H new ATOM 0 HZ3 LYS A 94 -4.360 12.528 -9.937 1.00 23.11 H new ATOM 1522 N GLU A 95 -3.567 6.216 -11.042 1.00 41.23 N ATOM 1523 CA GLU A 95 -4.335 5.715 -12.176 1.00 14.12 C ATOM 1524 C GLU A 95 -4.463 4.196 -12.118 1.00 23.54 C ATOM 1525 O GLU A 95 -5.492 3.633 -12.492 1.00 12.22 O ATOM 1526 CB GLU A 95 -3.676 6.133 -13.492 1.00 31.41 C ATOM 1527 CG GLU A 95 -4.569 5.945 -14.707 1.00 34.44 C ATOM 1528 CD GLU A 95 -5.260 7.227 -15.127 1.00 14.33 C ATOM 1529 OE1 GLU A 95 -6.365 7.503 -14.613 1.00 62.52 O ATOM 1530 OE2 GLU A 95 -4.696 7.956 -15.969 1.00 42.22 O ATOM 0 H GLU A 95 -2.663 6.619 -11.289 1.00 41.23 H new ATOM 0 HA GLU A 95 -5.334 6.148 -12.125 1.00 14.12 H new ATOM 0 HB2 GLU A 95 -3.384 7.181 -13.425 1.00 31.41 H new ATOM 0 HB3 GLU A 95 -2.762 5.555 -13.630 1.00 31.41 H new ATOM 0 HG2 GLU A 95 -3.971 5.570 -15.538 1.00 34.44 H new ATOM 0 HG3 GLU A 95 -5.321 5.187 -14.487 1.00 34.44 H new ATOM 1537 N TYR A 96 -3.410 3.537 -11.646 1.00 44.35 N ATOM 1538 CA TYR A 96 -3.401 2.083 -11.542 1.00 13.12 C ATOM 1539 C TYR A 96 -4.568 1.592 -10.691 1.00 31.54 C ATOM 1540 O TYR A 96 -5.274 0.655 -11.067 1.00 30.14 O ATOM 1541 CB TYR A 96 -2.079 1.601 -10.942 1.00 13.53 C ATOM 1542 CG TYR A 96 -2.035 0.111 -10.693 1.00 22.24 C ATOM 1543 CD1 TYR A 96 -2.501 -0.428 -9.500 1.00 21.23 C ATOM 1544 CD2 TYR A 96 -1.526 -0.759 -11.649 1.00 41.44 C ATOM 1545 CE1 TYR A 96 -2.462 -1.789 -9.267 1.00 63.43 C ATOM 1546 CE2 TYR A 96 -1.484 -2.121 -11.426 1.00 71.23 C ATOM 1547 CZ TYR A 96 -1.953 -2.632 -10.234 1.00 1.32 C ATOM 1548 OH TYR A 96 -1.912 -3.988 -10.007 1.00 64.41 O ATOM 0 H TYR A 96 -2.551 3.987 -11.329 1.00 44.35 H new ATOM 0 HA TYR A 96 -3.507 1.671 -12.546 1.00 13.12 H new ATOM 0 HB2 TYR A 96 -1.264 1.873 -11.613 1.00 13.53 H new ATOM 0 HB3 TYR A 96 -1.905 2.123 -10.001 1.00 13.53 H new ATOM 0 HD1 TYR A 96 -2.901 0.229 -8.742 1.00 21.23 H new ATOM 0 HD2 TYR A 96 -1.157 -0.363 -12.583 1.00 41.44 H new ATOM 0 HE1 TYR A 96 -2.828 -2.191 -8.334 1.00 63.43 H new ATOM 0 HE2 TYR A 96 -1.086 -2.783 -12.181 1.00 71.23 H new ATOM 0 HH TYR A 96 -1.526 -4.439 -10.787 1.00 64.41 H new ATOM 1558 N CYS A 97 -4.765 2.230 -9.543 1.00 4.42 N ATOM 1559 CA CYS A 97 -5.846 1.859 -8.636 1.00 43.45 C ATOM 1560 C CYS A 97 -7.204 2.189 -9.247 1.00 30.41 C ATOM 1561 O CYS A 97 -8.180 1.467 -9.041 1.00 2.25 O ATOM 1562 CB CYS A 97 -5.687 2.581 -7.297 1.00 65.43 C ATOM 1563 SG CYS A 97 -4.135 2.217 -6.443 1.00 33.34 S ATOM 0 H CYS A 97 -4.190 3.007 -9.218 1.00 4.42 H new ATOM 0 HA CYS A 97 -5.794 0.783 -8.468 1.00 43.45 H new ATOM 0 HB2 CYS A 97 -5.753 3.656 -7.466 1.00 65.43 H new ATOM 0 HB3 CYS A 97 -6.519 2.308 -6.648 1.00 65.43 H new ATOM 0 HG CYS A 97 -3.154 2.811 -7.055 1.00 33.34 H new ATOM 1569 N SER A 98 -7.260 3.284 -9.998 1.00 63.32 N ATOM 1570 CA SER A 98 -8.500 3.712 -10.634 1.00 41.05 C ATOM 1571 C SER A 98 -8.785 2.882 -11.883 1.00 3.42 C ATOM 1572 O SER A 98 -9.887 2.919 -12.429 1.00 55.11 O ATOM 1573 CB SER A 98 -8.424 5.196 -11.001 1.00 31.55 C ATOM 1574 OG SER A 98 -9.646 5.646 -11.559 1.00 60.14 O ATOM 0 H SER A 98 -6.461 3.891 -10.181 1.00 63.32 H new ATOM 0 HA SER A 98 -9.314 3.561 -9.925 1.00 41.05 H new ATOM 0 HB2 SER A 98 -8.189 5.782 -10.113 1.00 31.55 H new ATOM 0 HB3 SER A 98 -7.614 5.357 -11.713 1.00 31.55 H new ATOM 0 HG SER A 98 -10.124 4.888 -11.955 1.00 60.14 H new ATOM 1580 N LYS A 99 -7.782 2.134 -12.330 1.00 2.05 N ATOM 1581 CA LYS A 99 -7.922 1.293 -13.512 1.00 40.25 C ATOM 1582 C LYS A 99 -9.067 0.300 -13.342 1.00 11.24 C ATOM 1583 O LYS A 99 -9.623 -0.194 -14.322 1.00 24.21 O ATOM 1584 CB LYS A 99 -6.617 0.541 -13.786 1.00 55.34 C ATOM 1585 CG LYS A 99 -6.671 -0.340 -15.022 1.00 54.24 C ATOM 1586 CD LYS A 99 -5.400 -1.157 -15.181 1.00 0.23 C ATOM 1587 CE LYS A 99 -5.215 -2.130 -14.026 1.00 54.23 C ATOM 1588 NZ LYS A 99 -4.790 -3.477 -14.499 1.00 13.44 N ATOM 0 H LYS A 99 -6.862 2.093 -11.891 1.00 2.05 H new ATOM 0 HA LYS A 99 -8.148 1.938 -14.361 1.00 40.25 H new ATOM 0 HB2 LYS A 99 -5.808 1.263 -13.900 1.00 55.34 H new ATOM 0 HB3 LYS A 99 -6.374 -0.076 -12.921 1.00 55.34 H new ATOM 0 HG2 LYS A 99 -7.529 -1.009 -14.956 1.00 54.24 H new ATOM 0 HG3 LYS A 99 -6.819 0.280 -15.906 1.00 54.24 H new ATOM 0 HD2 LYS A 99 -5.436 -1.708 -16.121 1.00 0.23 H new ATOM 0 HD3 LYS A 99 -4.541 -0.488 -15.236 1.00 0.23 H new ATOM 0 HE2 LYS A 99 -4.470 -1.736 -13.335 1.00 54.23 H new ATOM 0 HE3 LYS A 99 -6.149 -2.218 -13.472 1.00 54.23 H new ATOM 0 HZ1 LYS A 99 -4.675 -4.111 -13.683 1.00 13.44 H new ATOM 0 HZ2 LYS A 99 -5.513 -3.864 -15.139 1.00 13.44 H new ATOM 0 HZ3 LYS A 99 -3.886 -3.397 -15.006 1.00 13.44 H new ATOM 1602 N GLU A 100 -9.415 0.015 -12.091 1.00 32.52 N ATOM 1603 CA GLU A 100 -10.495 -0.919 -11.793 1.00 71.14 C ATOM 1604 C GLU A 100 -11.853 -0.299 -12.109 1.00 11.54 C ATOM 1605 O GLU A 100 -12.844 -1.005 -12.290 1.00 63.21 O ATOM 1606 CB GLU A 100 -10.444 -1.341 -10.324 1.00 21.35 C ATOM 1607 CG GLU A 100 -9.102 -1.916 -9.902 1.00 0.23 C ATOM 1608 CD GLU A 100 -8.899 -1.882 -8.399 1.00 52.04 C ATOM 1609 OE1 GLU A 100 -9.768 -2.406 -7.671 1.00 4.41 O ATOM 1610 OE2 GLU A 100 -7.871 -1.332 -7.952 1.00 40.44 O ATOM 0 H GLU A 100 -8.965 0.417 -11.268 1.00 32.52 H new ATOM 0 HA GLU A 100 -10.362 -1.800 -12.421 1.00 71.14 H new ATOM 0 HB2 GLU A 100 -10.673 -0.478 -9.699 1.00 21.35 H new ATOM 0 HB3 GLU A 100 -11.221 -2.083 -10.141 1.00 21.35 H new ATOM 0 HG2 GLU A 100 -9.026 -2.945 -10.252 1.00 0.23 H new ATOM 0 HG3 GLU A 100 -8.302 -1.355 -10.386 1.00 0.23 H new ATOM 1617 N GLY A 101 -11.890 1.029 -12.171 1.00 54.14 N ATOM 1618 CA GLY A 101 -13.131 1.723 -12.464 1.00 2.41 C ATOM 1619 C GLY A 101 -13.962 1.973 -11.221 1.00 51.52 C ATOM 1620 O GLY A 101 -15.015 2.606 -11.288 1.00 31.11 O ATOM 0 H GLY A 101 -11.084 1.636 -12.024 1.00 54.14 H new ATOM 0 HA2 GLY A 101 -12.907 2.675 -12.945 1.00 2.41 H new ATOM 0 HA3 GLY A 101 -13.713 1.136 -13.175 1.00 2.41 H new ATOM 1624 N ASN A 102 -13.489 1.474 -10.084 1.00 43.31 N ATOM 1625 CA ASN A 102 -14.197 1.645 -8.821 1.00 11.22 C ATOM 1626 C ASN A 102 -13.239 2.072 -7.713 1.00 43.31 C ATOM 1627 O ASN A 102 -12.218 1.425 -7.476 1.00 71.42 O ATOM 1628 CB ASN A 102 -14.902 0.345 -8.428 1.00 11.55 C ATOM 1629 CG ASN A 102 -16.372 0.555 -8.120 1.00 53.34 C ATOM 1630 OD1 ASN A 102 -17.147 0.963 -8.986 1.00 62.43 O ATOM 1631 ND2 ASN A 102 -16.763 0.277 -6.882 1.00 53.41 N ATOM 0 H ASN A 102 -12.618 0.948 -10.011 1.00 43.31 H new ATOM 0 HA ASN A 102 -14.942 2.429 -8.954 1.00 11.22 H new ATOM 0 HB2 ASN A 102 -14.803 -0.378 -9.238 1.00 11.55 H new ATOM 0 HB3 ASN A 102 -14.408 -0.084 -7.556 1.00 11.55 H new ATOM 0 HD21 ASN A 102 -17.740 0.399 -6.616 1.00 53.41 H new ATOM 0 HD22 ASN A 102 -16.086 -0.059 -6.197 1.00 53.41 H new ATOM 1638 N LEU A 103 -13.574 3.166 -7.037 1.00 72.43 N ATOM 1639 CA LEU A 103 -12.744 3.680 -5.953 1.00 73.33 C ATOM 1640 C LEU A 103 -13.317 3.287 -4.595 1.00 55.24 C ATOM 1641 O LEU A 103 -14.502 3.493 -4.326 1.00 62.24 O ATOM 1642 CB LEU A 103 -12.630 5.202 -6.050 1.00 44.04 C ATOM 1643 CG LEU A 103 -11.235 5.752 -6.352 1.00 10.24 C ATOM 1644 CD1 LEU A 103 -10.319 5.569 -5.152 1.00 5.32 C ATOM 1645 CD2 LEU A 103 -10.648 5.074 -7.581 1.00 54.53 C ATOM 0 H LEU A 103 -14.415 3.714 -7.221 1.00 72.43 H new ATOM 0 HA LEU A 103 -11.751 3.240 -6.049 1.00 73.33 H new ATOM 0 HB2 LEU A 103 -13.312 5.549 -6.827 1.00 44.04 H new ATOM 0 HB3 LEU A 103 -12.973 5.633 -5.109 1.00 44.04 H new ATOM 0 HG LEU A 103 -11.323 6.819 -6.558 1.00 10.24 H new ATOM 0 HD11 LEU A 103 -9.331 5.966 -5.385 1.00 5.32 H new ATOM 0 HD12 LEU A 103 -10.731 6.102 -4.295 1.00 5.32 H new ATOM 0 HD13 LEU A 103 -10.237 4.508 -4.915 1.00 5.32 H new ATOM 0 HD21 LEU A 103 -9.656 5.478 -7.780 1.00 54.53 H new ATOM 0 HD22 LEU A 103 -10.574 4.001 -7.404 1.00 54.53 H new ATOM 0 HD23 LEU A 103 -11.293 5.256 -8.440 1.00 54.53 H new ATOM 1657 N LEU A 104 -12.470 2.723 -3.742 1.00 41.30 N ATOM 1658 CA LEU A 104 -12.891 2.304 -2.410 1.00 31.22 C ATOM 1659 C LEU A 104 -12.548 3.366 -1.371 1.00 12.25 C ATOM 1660 O LEU A 104 -13.227 3.494 -0.352 1.00 52.22 O ATOM 1661 CB LEU A 104 -12.227 0.977 -2.038 1.00 30.03 C ATOM 1662 CG LEU A 104 -12.729 0.312 -0.756 1.00 24.35 C ATOM 1663 CD1 LEU A 104 -14.243 0.177 -0.782 1.00 32.44 C ATOM 1664 CD2 LEU A 104 -12.073 -1.049 -0.569 1.00 11.10 C ATOM 0 H LEU A 104 -11.487 2.545 -3.949 1.00 41.30 H new ATOM 0 HA LEU A 104 -13.973 2.171 -2.423 1.00 31.22 H new ATOM 0 HB2 LEU A 104 -12.367 0.280 -2.864 1.00 30.03 H new ATOM 0 HB3 LEU A 104 -11.154 1.145 -1.941 1.00 30.03 H new ATOM 0 HG LEU A 104 -12.456 0.944 0.089 1.00 24.35 H new ATOM 0 HD11 LEU A 104 -14.582 -0.298 0.139 1.00 32.44 H new ATOM 0 HD12 LEU A 104 -14.695 1.165 -0.868 1.00 32.44 H new ATOM 0 HD13 LEU A 104 -14.539 -0.433 -1.636 1.00 32.44 H new ATOM 0 HD21 LEU A 104 -12.442 -1.508 0.348 1.00 11.10 H new ATOM 0 HD22 LEU A 104 -12.315 -1.689 -1.418 1.00 11.10 H new ATOM 0 HD23 LEU A 104 -10.992 -0.926 -0.504 1.00 11.10 H new ATOM 1676 N MET A 105 -11.492 4.127 -1.636 1.00 44.32 N ATOM 1677 CA MET A 105 -11.061 5.181 -0.725 1.00 50.41 C ATOM 1678 C MET A 105 -10.179 6.196 -1.446 1.00 15.41 C ATOM 1679 O MET A 105 -9.303 5.826 -2.226 1.00 5.33 O ATOM 1680 CB MET A 105 -10.303 4.582 0.461 1.00 34.30 C ATOM 1681 CG MET A 105 -9.386 5.572 1.160 1.00 53.32 C ATOM 1682 SD MET A 105 -9.304 5.305 2.941 1.00 0.31 S ATOM 1683 CE MET A 105 -7.817 4.315 3.067 1.00 62.04 C ATOM 0 H MET A 105 -10.919 4.034 -2.474 1.00 44.32 H new ATOM 0 HA MET A 105 -11.950 5.694 -0.357 1.00 50.41 H new ATOM 0 HB2 MET A 105 -11.022 4.194 1.182 1.00 34.30 H new ATOM 0 HB3 MET A 105 -9.712 3.735 0.113 1.00 34.30 H new ATOM 0 HG2 MET A 105 -8.384 5.493 0.738 1.00 53.32 H new ATOM 0 HG3 MET A 105 -9.736 6.586 0.964 1.00 53.32 H new ATOM 0 HE1 MET A 105 -7.443 4.349 4.090 1.00 62.04 H new ATOM 0 HE2 MET A 105 -8.043 3.283 2.797 1.00 62.04 H new ATOM 0 HE3 MET A 105 -7.059 4.709 2.390 1.00 62.04 H new ATOM 1693 N GLU A 106 -10.419 7.477 -1.180 1.00 31.44 N ATOM 1694 CA GLU A 106 -9.647 8.544 -1.805 1.00 23.23 C ATOM 1695 C GLU A 106 -9.175 9.555 -0.764 1.00 52.41 C ATOM 1696 O GLU A 106 -9.963 10.358 -0.261 1.00 61.43 O ATOM 1697 CB GLU A 106 -10.482 9.249 -2.875 1.00 73.32 C ATOM 1698 CG GLU A 106 -9.649 9.904 -3.964 1.00 73.21 C ATOM 1699 CD GLU A 106 -10.295 11.160 -4.517 1.00 31.44 C ATOM 1700 OE1 GLU A 106 -11.487 11.102 -4.885 1.00 22.12 O ATOM 1701 OE2 GLU A 106 -9.608 12.201 -4.580 1.00 62.53 O ATOM 0 H GLU A 106 -11.141 7.800 -0.536 1.00 31.44 H new ATOM 0 HA GLU A 106 -8.771 8.097 -2.275 1.00 23.23 H new ATOM 0 HB2 GLU A 106 -11.158 8.526 -3.332 1.00 73.32 H new ATOM 0 HB3 GLU A 106 -11.102 10.008 -2.398 1.00 73.32 H new ATOM 0 HG2 GLU A 106 -8.665 10.151 -3.565 1.00 73.21 H new ATOM 0 HG3 GLU A 106 -9.494 9.192 -4.775 1.00 73.21 H new ATOM 1708 N CYS A 107 -7.886 9.511 -0.446 1.00 33.41 N ATOM 1709 CA CYS A 107 -7.309 10.422 0.536 1.00 60.11 C ATOM 1710 C CYS A 107 -5.828 10.654 0.257 1.00 4.00 C ATOM 1711 O CYS A 107 -5.258 10.065 -0.661 1.00 33.34 O ATOM 1712 CB CYS A 107 -7.494 9.866 1.949 1.00 45.23 C ATOM 1713 SG CYS A 107 -9.081 10.285 2.705 1.00 14.22 S ATOM 0 H CYS A 107 -7.221 8.854 -0.854 1.00 33.41 H new ATOM 0 HA CYS A 107 -7.829 11.377 0.459 1.00 60.11 H new ATOM 0 HB2 CYS A 107 -7.394 8.781 1.917 1.00 45.23 H new ATOM 0 HB3 CYS A 107 -6.691 10.241 2.584 1.00 45.23 H new ATOM 0 HG CYS A 107 -9.982 10.417 1.777 1.00 14.22 H new ATOM 1719 N GLY A 108 -5.209 11.519 1.055 1.00 23.12 N ATOM 1720 CA GLY A 108 -3.799 11.815 0.877 1.00 53.40 C ATOM 1721 C GLY A 108 -3.549 12.771 -0.272 1.00 42.34 C ATOM 1722 O GLY A 108 -4.487 13.229 -0.923 1.00 53.43 O ATOM 0 H GLY A 108 -5.659 12.020 1.821 1.00 23.12 H new ATOM 0 HA2 GLY A 108 -3.402 12.245 1.797 1.00 53.40 H new ATOM 0 HA3 GLY A 108 -3.256 10.887 0.699 1.00 53.40 H new ATOM 1726 N ALA A 109 -2.279 13.074 -0.522 1.00 11.42 N ATOM 1727 CA ALA A 109 -1.908 13.982 -1.601 1.00 30.25 C ATOM 1728 C ALA A 109 -1.209 13.234 -2.731 1.00 5.24 C ATOM 1729 O ALA A 109 -0.618 12.172 -2.533 1.00 2.34 O ATOM 1730 CB ALA A 109 -1.017 15.095 -1.071 1.00 4.14 C ATOM 0 H ALA A 109 -1.490 12.704 0.008 1.00 11.42 H new ATOM 0 HA ALA A 109 -2.821 14.423 -2.002 1.00 30.25 H new ATOM 0 HB1 ALA A 109 -0.748 15.765 -1.887 1.00 4.14 H new ATOM 0 HB2 ALA A 109 -1.551 15.654 -0.303 1.00 4.14 H new ATOM 0 HB3 ALA A 109 -0.112 14.664 -0.642 1.00 4.14 H new ATOM 1736 N PRO A 110 -1.276 13.799 -3.945 1.00 63.14 N ATOM 1737 CA PRO A 110 -0.654 13.202 -5.131 1.00 53.13 C ATOM 1738 C PRO A 110 0.869 13.262 -5.080 1.00 34.10 C ATOM 1739 O PRO A 110 1.481 14.191 -5.607 1.00 13.01 O ATOM 1740 CB PRO A 110 -1.185 14.062 -6.281 1.00 2.52 C ATOM 1741 CG PRO A 110 -1.508 15.375 -5.654 1.00 33.42 C ATOM 1742 CD PRO A 110 -1.963 15.064 -4.255 1.00 31.14 C ATOM 0 HA PRO A 110 -0.893 12.143 -5.227 1.00 53.13 H new ATOM 0 HB2 PRO A 110 -0.441 14.172 -7.069 1.00 2.52 H new ATOM 0 HB3 PRO A 110 -2.068 13.613 -6.736 1.00 2.52 H new ATOM 0 HG2 PRO A 110 -0.636 16.028 -5.645 1.00 33.42 H new ATOM 0 HG3 PRO A 110 -2.288 15.893 -6.212 1.00 33.42 H new ATOM 0 HD2 PRO A 110 -1.685 15.854 -3.557 1.00 31.14 H new ATOM 0 HD3 PRO A 110 -3.046 14.957 -4.199 1.00 31.14 H new ATOM 1750 N ARG A 111 1.474 12.265 -4.443 1.00 2.33 N ATOM 1751 CA ARG A 111 2.926 12.206 -4.322 1.00 71.43 C ATOM 1752 C ARG A 111 3.471 10.922 -4.943 1.00 14.33 C ATOM 1753 O ARG A 111 2.770 9.914 -5.023 1.00 33.54 O ATOM 1754 CB ARG A 111 3.341 12.290 -2.852 1.00 50.24 C ATOM 1755 CG ARG A 111 3.210 10.973 -2.106 1.00 22.23 C ATOM 1756 CD ARG A 111 3.619 11.116 -0.648 1.00 31.30 C ATOM 1757 NE ARG A 111 4.991 10.671 -0.418 1.00 71.01 N ATOM 1758 CZ ARG A 111 6.049 11.466 -0.526 1.00 42.54 C ATOM 1759 NH1 ARG A 111 5.894 12.741 -0.859 1.00 33.51 N ATOM 1760 NH2 ARG A 111 7.266 10.988 -0.301 1.00 62.04 N ATOM 0 H ARG A 111 0.982 11.488 -4.003 1.00 2.33 H new ATOM 0 HA ARG A 111 3.345 13.057 -4.860 1.00 71.43 H new ATOM 0 HB2 ARG A 111 4.375 12.629 -2.794 1.00 50.24 H new ATOM 0 HB3 ARG A 111 2.730 13.043 -2.353 1.00 50.24 H new ATOM 0 HG2 ARG A 111 2.180 10.622 -2.163 1.00 22.23 H new ATOM 0 HG3 ARG A 111 3.831 10.218 -2.587 1.00 22.23 H new ATOM 0 HD2 ARG A 111 3.520 12.158 -0.344 1.00 31.30 H new ATOM 0 HD3 ARG A 111 2.940 10.536 -0.023 1.00 31.30 H new ATOM 0 HE ARG A 111 5.145 9.696 -0.160 1.00 71.01 H new ATOM 0 HH11 ARG A 111 4.960 13.113 -1.033 1.00 33.51 H new ATOM 0 HH12 ARG A 111 6.709 13.349 -0.941 1.00 33.51 H new ATOM 0 HH21 ARG A 111 7.390 10.009 -0.045 1.00 62.04 H new ATOM 0 HH22 ARG A 111 8.078 11.600 -0.384 1.00 62.04 H new ATOM 1774 N SER A 112 4.725 10.969 -5.381 1.00 34.21 N ATOM 1775 CA SER A 112 5.362 9.812 -5.998 1.00 61.41 C ATOM 1776 C SER A 112 6.581 9.369 -5.194 1.00 14.34 C ATOM 1777 O SER A 112 6.816 9.855 -4.088 1.00 22.34 O ATOM 1778 CB SER A 112 5.776 10.137 -7.435 1.00 32.43 C ATOM 1779 OG SER A 112 7.115 10.597 -7.488 1.00 13.50 O ATOM 0 H SER A 112 5.320 11.796 -5.320 1.00 34.21 H new ATOM 0 HA SER A 112 4.640 8.995 -6.011 1.00 61.41 H new ATOM 0 HB2 SER A 112 5.668 9.249 -8.058 1.00 32.43 H new ATOM 0 HB3 SER A 112 5.111 10.897 -7.846 1.00 32.43 H new ATOM 0 HG SER A 112 7.356 10.796 -8.417 1.00 13.50 H new ATOM 1785 N GLN A 113 7.351 8.445 -5.758 1.00 72.13 N ATOM 1786 CA GLN A 113 8.545 7.936 -5.094 1.00 13.13 C ATOM 1787 C GLN A 113 9.477 9.077 -4.700 1.00 52.30 C ATOM 1788 O GLN A 113 10.079 9.724 -5.556 1.00 61.41 O ATOM 1789 CB GLN A 113 9.281 6.952 -6.004 1.00 73.25 C ATOM 1790 CG GLN A 113 10.187 5.990 -5.254 1.00 24.31 C ATOM 1791 CD GLN A 113 11.578 5.912 -5.851 1.00 45.44 C ATOM 1792 OE1 GLN A 113 12.246 6.931 -6.034 1.00 54.13 O ATOM 1793 NE2 GLN A 113 12.024 4.700 -6.159 1.00 43.13 N ATOM 0 H GLN A 113 7.170 8.033 -6.673 1.00 72.13 H new ATOM 0 HA GLN A 113 8.232 7.417 -4.188 1.00 13.13 H new ATOM 0 HB2 GLN A 113 8.549 6.379 -6.573 1.00 73.25 H new ATOM 0 HB3 GLN A 113 9.877 7.512 -6.724 1.00 73.25 H new ATOM 0 HG2 GLN A 113 10.260 6.303 -4.212 1.00 24.31 H new ATOM 0 HG3 GLN A 113 9.738 4.997 -5.258 1.00 24.31 H new ATOM 0 HE21 GLN A 113 11.437 3.883 -5.991 1.00 43.13 H new ATOM 0 HE22 GLN A 113 12.953 4.586 -6.564 1.00 43.13 H new ATOM 1802 N GLY A 114 9.590 9.320 -3.398 1.00 23.24 N ATOM 1803 CA GLY A 114 10.450 10.384 -2.913 1.00 63.34 C ATOM 1804 C GLY A 114 11.922 10.042 -3.039 1.00 12.05 C ATOM 1805 O GLY A 114 12.315 8.890 -2.856 1.00 40.33 O ATOM 0 H GLY A 114 9.101 8.799 -2.670 1.00 23.24 H new ATOM 0 HA2 GLY A 114 10.243 11.297 -3.471 1.00 63.34 H new ATOM 0 HA3 GLY A 114 10.216 10.589 -1.868 1.00 63.34 H new ATOM 1809 N GLN A 115 12.736 11.045 -3.352 1.00 20.31 N ATOM 1810 CA GLN A 115 14.172 10.843 -3.504 1.00 1.14 C ATOM 1811 C GLN A 115 14.899 12.178 -3.630 1.00 72.03 C ATOM 1812 O GLN A 115 15.694 12.547 -2.766 1.00 44.13 O ATOM 1813 CB GLN A 115 14.460 9.974 -4.729 1.00 32.00 C ATOM 1814 CG GLN A 115 15.884 9.446 -4.779 1.00 64.15 C ATOM 1815 CD GLN A 115 15.956 8.003 -5.239 1.00 41.23 C ATOM 1816 OE1 GLN A 115 15.736 7.078 -4.457 1.00 0.45 O ATOM 1817 NE2 GLN A 115 16.265 7.803 -6.515 1.00 61.21 N ATOM 0 H GLN A 115 12.426 12.005 -3.505 1.00 20.31 H new ATOM 0 HA GLN A 115 14.538 10.333 -2.613 1.00 1.14 H new ATOM 0 HB2 GLN A 115 13.768 9.131 -4.737 1.00 32.00 H new ATOM 0 HB3 GLN A 115 14.265 10.555 -5.630 1.00 32.00 H new ATOM 0 HG2 GLN A 115 16.474 10.068 -5.452 1.00 64.15 H new ATOM 0 HG3 GLN A 115 16.334 9.531 -3.790 1.00 64.15 H new ATOM 0 HE21 GLN A 115 16.440 8.599 -7.128 1.00 61.21 H new ATOM 0 HE22 GLN A 115 16.328 6.853 -6.882 1.00 61.21 H new ATOM 1826 N ARG A 116 14.620 12.897 -4.713 1.00 4.35 N ATOM 1827 CA ARG A 116 15.249 14.191 -4.953 1.00 30.41 C ATOM 1828 C ARG A 116 14.362 15.072 -5.827 1.00 61.04 C ATOM 1829 O ARG A 116 13.980 16.173 -5.430 1.00 61.14 O ATOM 1830 CB ARG A 116 16.614 14.002 -5.618 1.00 13.50 C ATOM 1831 CG ARG A 116 16.535 13.386 -7.005 1.00 44.43 C ATOM 1832 CD ARG A 116 17.412 14.135 -7.997 1.00 71.34 C ATOM 1833 NE ARG A 116 16.670 15.171 -8.710 1.00 52.03 N ATOM 1834 CZ ARG A 116 17.066 15.697 -9.864 1.00 21.11 C ATOM 1835 NH1 ARG A 116 18.191 15.285 -10.432 1.00 40.23 N ATOM 1836 NH2 ARG A 116 16.336 16.636 -10.452 1.00 2.32 N ATOM 0 H ARG A 116 13.963 12.606 -5.437 1.00 4.35 H new ATOM 0 HA ARG A 116 15.387 14.685 -3.991 1.00 30.41 H new ATOM 0 HB2 ARG A 116 17.112 14.969 -5.687 1.00 13.50 H new ATOM 0 HB3 ARG A 116 17.234 13.369 -4.983 1.00 13.50 H new ATOM 0 HG2 ARG A 116 16.845 12.342 -6.959 1.00 44.43 H new ATOM 0 HG3 ARG A 116 15.501 13.397 -7.351 1.00 44.43 H new ATOM 0 HD2 ARG A 116 18.251 14.588 -7.469 1.00 71.34 H new ATOM 0 HD3 ARG A 116 17.831 13.430 -8.715 1.00 71.34 H new ATOM 0 HE ARG A 116 15.800 15.509 -8.300 1.00 52.03 H new ATOM 0 HH11 ARG A 116 18.754 14.563 -9.983 1.00 40.23 H new ATOM 0 HH12 ARG A 116 18.493 15.690 -11.318 1.00 40.23 H new ATOM 0 HH21 ARG A 116 15.470 16.955 -10.018 1.00 2.32 H new ATOM 0 HH22 ARG A 116 16.641 17.039 -11.338 1.00 2.32 H new TER 1850 ARG A 116