USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 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 44 LYS NZ :NH3+ -117:sc= -0.0845 (180deg=-2.5!) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= -0.0779 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0712 K(o=-0.071,f=-1.3!) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0996 F(o=-0.89,f=-0.1) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -23:sc= 0.297 USER MOD Single : A 29 SER OG : rot 30:sc= 0.446 USER MOD Single : A 33 THR OG1 : rot 170:sc= -0.961 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00549 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 135:sc= -0.662 (180deg=-3.28!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 61 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.64) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 99:sc= 1.13 USER MOD Single : A 78 THR OG1 : rot -81:sc= 0.272 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 46:sc= 0.961 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot -33:sc= 0.681 USER MOD Single : A 112 ASN : amide:sc= -0.0048 X(o=-0.0048,f=-0.26) USER MOD Single : A 116 SER OG : rot 48:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.176 43.032 -7.503 1.00 0.00 N ATOM 2 CA GLY A 1 -1.147 42.463 -7.322 1.00 0.00 C ATOM 3 C GLY A 1 -1.385 41.990 -5.902 1.00 0.00 C ATOM 4 O GLY A 1 -0.618 41.187 -5.371 1.00 0.00 O ATOM 0 H1 GLY A 1 0.289 43.340 -8.490 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.292 43.849 -6.870 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.896 42.315 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.898 43.208 -7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.276 41.625 -8.007 1.00 0.00 H new ATOM 8 N SER A 2 -2.451 42.489 -5.285 1.00 0.00 N ATOM 9 CA SER A 2 -2.786 42.116 -3.915 1.00 0.00 C ATOM 10 C SER A 2 -3.290 40.678 -3.851 1.00 0.00 C ATOM 11 O SER A 2 -4.329 40.347 -4.422 1.00 0.00 O ATOM 12 CB SER A 2 -3.844 43.066 -3.350 1.00 0.00 C ATOM 13 OG SER A 2 -4.293 42.630 -2.079 1.00 0.00 O ATOM 0 H SER A 2 -3.098 43.152 -5.712 1.00 0.00 H new ATOM 0 HA SER A 2 -1.881 42.192 -3.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.429 44.070 -3.268 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.688 43.125 -4.037 1.00 0.00 H new ATOM 0 HG SER A 2 -4.967 43.254 -1.738 1.00 0.00 H new ATOM 19 N SER A 3 -2.546 39.827 -3.152 1.00 0.00 N ATOM 20 CA SER A 3 -2.915 38.423 -3.016 1.00 0.00 C ATOM 21 C SER A 3 -4.170 38.271 -2.163 1.00 0.00 C ATOM 22 O SER A 3 -5.086 37.528 -2.513 1.00 0.00 O ATOM 23 CB SER A 3 -1.763 37.629 -2.395 1.00 0.00 C ATOM 24 OG SER A 3 -2.101 36.260 -2.261 1.00 0.00 O ATOM 0 H SER A 3 -1.684 40.085 -2.671 1.00 0.00 H new ATOM 0 HA SER A 3 -3.124 38.030 -4.011 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.873 37.728 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.517 38.043 -1.417 1.00 0.00 H new ATOM 0 HG SER A 3 -1.348 35.775 -1.863 1.00 0.00 H new ATOM 30 N GLY A 4 -4.205 38.982 -1.040 1.00 0.00 N ATOM 31 CA GLY A 4 -5.351 38.913 -0.153 1.00 0.00 C ATOM 32 C GLY A 4 -5.061 38.128 1.111 1.00 0.00 C ATOM 33 O GLY A 4 -5.365 36.938 1.195 1.00 0.00 O ATOM 0 H GLY A 4 -3.460 39.605 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.661 39.923 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.187 38.452 -0.680 1.00 0.00 H new ATOM 37 N SER A 5 -4.468 38.795 2.096 1.00 0.00 N ATOM 38 CA SER A 5 -4.131 38.151 3.360 1.00 0.00 C ATOM 39 C SER A 5 -5.391 37.705 4.096 1.00 0.00 C ATOM 40 O SER A 5 -5.497 36.559 4.531 1.00 0.00 O ATOM 41 CB SER A 5 -3.322 39.103 4.242 1.00 0.00 C ATOM 42 OG SER A 5 -2.995 38.498 5.481 1.00 0.00 O ATOM 0 H SER A 5 -4.211 39.781 2.043 1.00 0.00 H new ATOM 0 HA SER A 5 -3.528 37.270 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.408 39.395 3.724 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.894 40.014 4.418 1.00 0.00 H new ATOM 0 HG SER A 5 -2.477 39.127 6.025 1.00 0.00 H new ATOM 48 N SER A 6 -6.345 38.622 4.231 1.00 0.00 N ATOM 49 CA SER A 6 -7.597 38.326 4.918 1.00 0.00 C ATOM 50 C SER A 6 -8.595 37.669 3.969 1.00 0.00 C ATOM 51 O SER A 6 -9.777 38.010 3.961 1.00 0.00 O ATOM 52 CB SER A 6 -8.198 39.606 5.502 1.00 0.00 C ATOM 53 OG SER A 6 -7.645 39.894 6.775 1.00 0.00 O ATOM 0 H SER A 6 -6.275 39.575 3.874 1.00 0.00 H new ATOM 0 HA SER A 6 -7.382 37.631 5.730 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.014 40.440 4.825 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.279 39.498 5.588 1.00 0.00 H new ATOM 0 HG SER A 6 -8.044 40.717 7.126 1.00 0.00 H new ATOM 59 N GLY A 7 -8.108 36.725 3.169 1.00 0.00 N ATOM 60 CA GLY A 7 -8.970 36.035 2.227 1.00 0.00 C ATOM 61 C GLY A 7 -9.385 34.663 2.718 1.00 0.00 C ATOM 62 O GLY A 7 -8.768 34.088 3.615 1.00 0.00 O ATOM 0 H GLY A 7 -7.133 36.426 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.860 36.637 2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.453 35.935 1.273 1.00 0.00 H new ATOM 66 N PRO A 8 -10.457 34.117 2.124 1.00 0.00 N ATOM 67 CA PRO A 8 -10.979 32.797 2.492 1.00 0.00 C ATOM 68 C PRO A 8 -10.047 31.667 2.070 1.00 0.00 C ATOM 69 O PRO A 8 -9.230 31.810 1.160 1.00 0.00 O ATOM 70 CB PRO A 8 -12.302 32.713 1.726 1.00 0.00 C ATOM 71 CG PRO A 8 -12.126 33.630 0.565 1.00 0.00 C ATOM 72 CD PRO A 8 -11.241 34.745 1.047 1.00 0.00 C ATOM 0 HA PRO A 8 -11.087 32.688 3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.506 31.694 1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.141 33.021 2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.673 33.109 -0.278 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.087 34.015 0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.600 35.122 0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.823 35.590 1.414 1.00 0.00 H new ATOM 80 N PRO A 9 -10.170 30.514 2.745 1.00 0.00 N ATOM 81 CA PRO A 9 -9.346 29.336 2.456 1.00 0.00 C ATOM 82 C PRO A 9 -9.694 28.701 1.114 1.00 0.00 C ATOM 83 O PRO A 9 -10.859 28.420 0.832 1.00 0.00 O ATOM 84 CB PRO A 9 -9.681 28.379 3.603 1.00 0.00 C ATOM 85 CG PRO A 9 -11.044 28.785 4.049 1.00 0.00 C ATOM 86 CD PRO A 9 -11.122 30.272 3.841 1.00 0.00 C ATOM 0 HA PRO A 9 -8.287 29.586 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.666 27.341 3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.957 28.464 4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.813 28.270 3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.204 28.528 5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.131 30.588 3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.845 30.819 4.742 1.00 0.00 H new ATOM 94 N VAL A 10 -8.675 28.476 0.290 1.00 0.00 N ATOM 95 CA VAL A 10 -8.873 27.872 -1.022 1.00 0.00 C ATOM 96 C VAL A 10 -7.867 26.753 -1.270 1.00 0.00 C ATOM 97 O VAL A 10 -6.691 26.876 -0.928 1.00 0.00 O ATOM 98 CB VAL A 10 -8.748 28.918 -2.146 1.00 0.00 C ATOM 99 CG1 VAL A 10 -7.417 29.647 -2.052 1.00 0.00 C ATOM 100 CG2 VAL A 10 -8.909 28.258 -3.508 1.00 0.00 C ATOM 0 H VAL A 10 -7.705 28.703 0.508 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.881 27.458 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.545 29.651 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.347 30.382 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.347 30.153 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.602 28.929 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.818 29.011 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.135 27.502 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.890 27.787 -3.570 1.00 0.00 H new ATOM 110 N ILE A 11 -8.337 25.663 -1.867 1.00 0.00 N ATOM 111 CA ILE A 11 -7.478 24.523 -2.161 1.00 0.00 C ATOM 112 C ILE A 11 -6.691 24.747 -3.448 1.00 0.00 C ATOM 113 O ILE A 11 -7.252 24.720 -4.544 1.00 0.00 O ATOM 114 CB ILE A 11 -8.293 23.223 -2.291 1.00 0.00 C ATOM 115 CG1 ILE A 11 -9.020 22.918 -0.979 1.00 0.00 C ATOM 116 CG2 ILE A 11 -7.386 22.066 -2.681 1.00 0.00 C ATOM 117 CD1 ILE A 11 -8.119 22.341 0.091 1.00 0.00 C ATOM 0 H ILE A 11 -9.308 25.545 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.785 24.425 -1.325 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.038 23.355 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.475 23.834 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.831 22.217 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.977 21.154 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.910 22.283 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.621 21.930 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.701 22.150 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.683 21.407 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.323 23.050 0.317 1.00 0.00 H new ATOM 129 N ARG A 12 -5.388 24.965 -3.308 1.00 0.00 N ATOM 130 CA ARG A 12 -4.523 25.193 -4.459 1.00 0.00 C ATOM 131 C ARG A 12 -4.110 23.870 -5.098 1.00 0.00 C ATOM 132 O ARG A 12 -4.257 23.682 -6.306 1.00 0.00 O ATOM 133 CB ARG A 12 -3.279 25.979 -4.041 1.00 0.00 C ATOM 134 CG ARG A 12 -3.587 27.372 -3.517 1.00 0.00 C ATOM 135 CD ARG A 12 -4.046 28.298 -4.632 1.00 0.00 C ATOM 136 NE ARG A 12 -2.970 28.598 -5.573 1.00 0.00 N ATOM 137 CZ ARG A 12 -1.917 29.349 -5.270 1.00 0.00 C ATOM 138 NH1 ARG A 12 -1.799 29.872 -4.057 1.00 0.00 N ATOM 139 NH2 ARG A 12 -0.979 29.577 -6.180 1.00 0.00 N ATOM 0 H ARG A 12 -4.908 24.989 -2.408 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.082 25.774 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.748 25.420 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.607 26.062 -4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.361 27.311 -2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.699 27.787 -3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.877 27.838 -5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.420 29.227 -4.201 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.030 28.210 -6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.518 29.698 -3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.990 30.448 -3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.066 29.175 -7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.171 30.154 -5.946 1.00 0.00 H new ATOM 153 N GLN A 13 -3.594 22.959 -4.280 1.00 0.00 N ATOM 154 CA GLN A 13 -3.159 21.655 -4.767 1.00 0.00 C ATOM 155 C GLN A 13 -3.392 20.576 -3.715 1.00 0.00 C ATOM 156 O GLN A 13 -2.744 20.564 -2.669 1.00 0.00 O ATOM 157 CB GLN A 13 -1.679 21.698 -5.152 1.00 0.00 C ATOM 158 CG GLN A 13 -1.096 20.333 -5.480 1.00 0.00 C ATOM 159 CD GLN A 13 -1.426 19.880 -6.889 1.00 0.00 C ATOM 160 OE1 GLN A 13 -1.601 20.699 -7.791 1.00 0.00 O ATOM 161 NE2 GLN A 13 -1.514 18.570 -7.085 1.00 0.00 N ATOM 0 H GLN A 13 -3.467 23.099 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.749 21.410 -5.650 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.555 22.353 -6.014 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.112 22.139 -4.332 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.013 20.366 -5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.476 19.600 -4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.361 17.927 -6.308 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.734 18.207 -8.012 1.00 0.00 H new ATOM 170 N GLY A 14 -4.323 19.670 -3.999 1.00 0.00 N ATOM 171 CA GLY A 14 -4.625 18.599 -3.067 1.00 0.00 C ATOM 172 C GLY A 14 -4.352 17.227 -3.651 1.00 0.00 C ATOM 173 O GLY A 14 -3.727 17.090 -4.703 1.00 0.00 O ATOM 0 H GLY A 14 -4.873 19.659 -4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.031 18.730 -2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.672 18.663 -2.772 1.00 0.00 H new ATOM 177 N PRO A 15 -4.826 16.180 -2.959 1.00 0.00 N ATOM 178 CA PRO A 15 -4.640 14.793 -3.397 1.00 0.00 C ATOM 179 C PRO A 15 -5.456 14.465 -4.643 1.00 0.00 C ATOM 180 O PRO A 15 -6.351 15.217 -5.028 1.00 0.00 O ATOM 181 CB PRO A 15 -5.136 13.975 -2.202 1.00 0.00 C ATOM 182 CG PRO A 15 -6.099 14.872 -1.502 1.00 0.00 C ATOM 183 CD PRO A 15 -5.579 16.270 -1.698 1.00 0.00 C ATOM 0 HA PRO A 15 -3.606 14.587 -3.672 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.618 13.053 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.312 13.691 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.102 14.767 -1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.164 14.624 -0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.390 16.995 -1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.941 16.581 -0.871 1.00 0.00 H new ATOM 191 N VAL A 16 -5.141 13.335 -5.269 1.00 0.00 N ATOM 192 CA VAL A 16 -5.846 12.906 -6.471 1.00 0.00 C ATOM 193 C VAL A 16 -6.144 11.412 -6.429 1.00 0.00 C ATOM 194 O VAL A 16 -5.383 10.632 -5.857 1.00 0.00 O ATOM 195 CB VAL A 16 -5.033 13.220 -7.741 1.00 0.00 C ATOM 196 CG1 VAL A 16 -4.759 14.713 -7.844 1.00 0.00 C ATOM 197 CG2 VAL A 16 -3.733 12.429 -7.751 1.00 0.00 C ATOM 0 H VAL A 16 -4.403 12.701 -4.964 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.784 13.460 -6.503 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.620 12.922 -8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.184 14.916 -8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.704 15.254 -7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.193 15.040 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.171 12.663 -8.655 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.139 12.694 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.956 11.362 -7.729 1.00 0.00 H new ATOM 207 N ASN A 17 -7.258 11.019 -7.039 1.00 0.00 N ATOM 208 CA ASN A 17 -7.658 9.617 -7.072 1.00 0.00 C ATOM 209 C ASN A 17 -6.542 8.746 -7.641 1.00 0.00 C ATOM 210 O ASN A 17 -6.069 8.975 -8.753 1.00 0.00 O ATOM 211 CB ASN A 17 -8.929 9.446 -7.906 1.00 0.00 C ATOM 212 CG ASN A 17 -8.916 10.300 -9.160 1.00 0.00 C ATOM 213 OD1 ASN A 17 -9.436 11.517 -9.052 1.00 0.00 O flip ATOM 214 ND2 ASN A 17 -8.444 9.869 -10.212 1.00 0.00 N flip ATOM 0 H ASN A 17 -7.899 11.652 -7.517 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.858 9.299 -6.049 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.040 8.398 -8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.796 9.708 -7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.055 8.927 -10.248 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.442 10.454 -11.048 1.00 0.00 H new ATOM 221 N GLN A 18 -6.127 7.746 -6.869 1.00 0.00 N ATOM 222 CA GLN A 18 -5.067 6.841 -7.297 1.00 0.00 C ATOM 223 C GLN A 18 -5.312 5.429 -6.773 1.00 0.00 C ATOM 224 O GLN A 18 -5.886 5.245 -5.699 1.00 0.00 O ATOM 225 CB GLN A 18 -3.708 7.349 -6.813 1.00 0.00 C ATOM 226 CG GLN A 18 -3.667 7.651 -5.324 1.00 0.00 C ATOM 227 CD GLN A 18 -2.351 8.268 -4.890 1.00 0.00 C ATOM 228 OE1 GLN A 18 -1.297 7.971 -5.453 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.406 9.133 -3.884 1.00 0.00 N ATOM 0 H GLN A 18 -6.508 7.543 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.068 6.810 -8.387 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.947 6.604 -7.045 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.449 8.252 -7.366 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.482 8.329 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.834 6.730 -4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.301 9.350 -3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.553 9.580 -3.549 1.00 0.00 H new ATOM 238 N THR A 19 -4.873 4.435 -7.538 1.00 0.00 N ATOM 239 CA THR A 19 -5.045 3.040 -7.152 1.00 0.00 C ATOM 240 C THR A 19 -3.847 2.538 -6.354 1.00 0.00 C ATOM 241 O THR A 19 -2.701 2.857 -6.669 1.00 0.00 O ATOM 242 CB THR A 19 -5.242 2.136 -8.383 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.246 2.689 -9.241 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.644 0.730 -7.964 1.00 0.00 C ATOM 0 H THR A 19 -4.395 4.570 -8.429 1.00 0.00 H new ATOM 0 HA THR A 19 -5.938 2.993 -6.529 1.00 0.00 H new ATOM 0 HB THR A 19 -4.295 2.081 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.364 2.109 -10.022 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.777 0.110 -8.851 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.864 0.301 -7.335 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.579 0.770 -7.405 1.00 0.00 H new ATOM 252 N VAL A 20 -4.120 1.751 -5.318 1.00 0.00 N ATOM 253 CA VAL A 20 -3.064 1.203 -4.475 1.00 0.00 C ATOM 254 C VAL A 20 -3.280 -0.284 -4.221 1.00 0.00 C ATOM 255 O VAL A 20 -4.406 -0.777 -4.274 1.00 0.00 O ATOM 256 CB VAL A 20 -2.986 1.938 -3.124 1.00 0.00 C ATOM 257 CG1 VAL A 20 -2.131 1.156 -2.139 1.00 0.00 C ATOM 258 CG2 VAL A 20 -2.442 3.346 -3.314 1.00 0.00 C ATOM 0 H VAL A 20 -5.064 1.479 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.126 1.344 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.993 2.014 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.088 1.691 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.568 0.170 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.123 1.045 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.394 3.851 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.443 3.295 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.099 3.903 -3.982 1.00 0.00 H new ATOM 268 N ALA A 21 -2.192 -0.996 -3.943 1.00 0.00 N ATOM 269 CA ALA A 21 -2.262 -2.427 -3.678 1.00 0.00 C ATOM 270 C ALA A 21 -2.203 -2.711 -2.181 1.00 0.00 C ATOM 271 O ALA A 21 -1.494 -2.033 -1.437 1.00 0.00 O ATOM 272 CB ALA A 21 -1.137 -3.154 -4.400 1.00 0.00 C ATOM 0 H ALA A 21 -1.251 -0.604 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.217 -2.795 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.202 -4.222 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.226 -2.987 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.176 -2.775 -4.052 1.00 0.00 H new ATOM 278 N VAL A 22 -2.952 -3.719 -1.744 1.00 0.00 N ATOM 279 CA VAL A 22 -2.984 -4.093 -0.335 1.00 0.00 C ATOM 280 C VAL A 22 -1.608 -3.947 0.304 1.00 0.00 C ATOM 281 O VAL A 22 -0.584 -4.140 -0.352 1.00 0.00 O ATOM 282 CB VAL A 22 -3.473 -5.542 -0.150 1.00 0.00 C ATOM 283 CG1 VAL A 22 -3.074 -6.070 1.219 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.979 -5.625 -0.345 1.00 0.00 C ATOM 0 H VAL A 22 -3.545 -4.291 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.683 -3.416 0.156 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.997 -6.167 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.428 -7.095 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.988 -6.049 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.519 -5.446 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.307 -6.656 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.476 -4.988 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.235 -5.291 -1.351 1.00 0.00 H new ATOM 294 N ASP A 23 -1.591 -3.606 1.588 1.00 0.00 N ATOM 295 CA ASP A 23 -0.340 -3.435 2.317 1.00 0.00 C ATOM 296 C ASP A 23 0.650 -2.601 1.510 1.00 0.00 C ATOM 297 O ASP A 23 1.862 -2.720 1.682 1.00 0.00 O ATOM 298 CB ASP A 23 0.272 -4.797 2.648 1.00 0.00 C ATOM 299 CG ASP A 23 1.082 -4.772 3.930 1.00 0.00 C ATOM 300 OD1 ASP A 23 2.262 -4.366 3.878 1.00 0.00 O ATOM 301 OD2 ASP A 23 0.535 -5.157 4.984 1.00 0.00 O ATOM 0 H ASP A 23 -2.430 -3.443 2.145 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.558 -2.908 3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.523 -5.537 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.911 -5.115 1.824 1.00 0.00 H new ATOM 306 N GLY A 24 0.124 -1.757 0.627 1.00 0.00 N ATOM 307 CA GLY A 24 0.976 -0.917 -0.194 1.00 0.00 C ATOM 308 C GLY A 24 1.462 0.314 0.545 1.00 0.00 C ATOM 309 O GLY A 24 1.848 0.235 1.712 1.00 0.00 O ATOM 0 H GLY A 24 -0.876 -1.640 0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.835 -1.497 -0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.428 -0.610 -1.085 1.00 0.00 H new ATOM 313 N THR A 25 1.447 1.455 -0.136 1.00 0.00 N ATOM 314 CA THR A 25 1.893 2.708 0.462 1.00 0.00 C ATOM 315 C THR A 25 1.397 3.906 -0.339 1.00 0.00 C ATOM 316 O THR A 25 1.847 4.146 -1.459 1.00 0.00 O ATOM 317 CB THR A 25 3.429 2.769 0.558 1.00 0.00 C ATOM 318 OG1 THR A 25 3.926 1.597 1.214 1.00 0.00 O ATOM 319 CG2 THR A 25 3.874 4.009 1.318 1.00 0.00 C ATOM 0 H THR A 25 1.131 1.538 -1.102 1.00 0.00 H new ATOM 0 HA THR A 25 1.472 2.747 1.467 1.00 0.00 H new ATOM 0 HB THR A 25 3.833 2.817 -0.453 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.219 1.209 1.771 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.962 4.031 1.373 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.519 4.900 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.460 3.986 2.326 1.00 0.00 H new ATOM 327 N PHE A 26 0.467 4.657 0.243 1.00 0.00 N ATOM 328 CA PHE A 26 -0.090 5.832 -0.417 1.00 0.00 C ATOM 329 C PHE A 26 -0.085 7.036 0.521 1.00 0.00 C ATOM 330 O PHE A 26 -0.497 6.939 1.677 1.00 0.00 O ATOM 331 CB PHE A 26 -1.517 5.547 -0.892 1.00 0.00 C ATOM 332 CG PHE A 26 -2.514 5.455 0.228 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.421 4.449 1.176 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.545 6.375 0.332 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.338 4.362 2.206 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.464 6.293 1.361 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.360 5.286 2.300 1.00 0.00 C ATOM 0 H PHE A 26 0.084 4.473 1.170 1.00 0.00 H new ATOM 0 HA PHE A 26 0.534 6.064 -1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.827 6.334 -1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.525 4.612 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.623 3.725 1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.631 7.165 -0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.255 3.572 2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.263 7.016 1.431 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.076 5.221 3.106 1.00 0.00 H new ATOM 347 N VAL A 27 0.384 8.171 0.013 1.00 0.00 N ATOM 348 CA VAL A 27 0.443 9.395 0.803 1.00 0.00 C ATOM 349 C VAL A 27 -0.349 10.516 0.140 1.00 0.00 C ATOM 350 O VAL A 27 -0.170 10.802 -1.045 1.00 0.00 O ATOM 351 CB VAL A 27 1.897 9.861 1.008 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.649 9.861 -0.314 1.00 0.00 C ATOM 353 CG2 VAL A 27 1.928 11.240 1.649 1.00 0.00 C ATOM 0 H VAL A 27 0.729 8.268 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 27 0.002 9.167 1.773 1.00 0.00 H new ATOM 0 HB VAL A 27 2.394 9.162 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.674 10.193 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.656 8.853 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.156 10.537 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.963 11.554 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.415 11.953 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.428 11.203 2.617 1.00 0.00 H new ATOM 363 N LEU A 28 -1.226 11.149 0.911 1.00 0.00 N ATOM 364 CA LEU A 28 -2.048 12.240 0.399 1.00 0.00 C ATOM 365 C LEU A 28 -1.612 13.575 0.996 1.00 0.00 C ATOM 366 O LEU A 28 -1.546 13.730 2.215 1.00 0.00 O ATOM 367 CB LEU A 28 -3.523 11.985 0.713 1.00 0.00 C ATOM 368 CG LEU A 28 -4.083 10.638 0.256 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.208 10.188 1.176 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.571 10.724 -1.183 1.00 0.00 C ATOM 0 H LEU A 28 -1.386 10.926 1.893 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.917 12.285 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.664 12.068 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.114 12.777 0.253 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.284 9.898 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.594 9.227 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.828 10.086 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.009 10.927 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.966 9.756 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.356 11.477 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.741 11.001 -1.833 1.00 0.00 H new ATOM 382 N SER A 29 -1.318 14.538 0.127 1.00 0.00 N ATOM 383 CA SER A 29 -0.888 15.859 0.568 1.00 0.00 C ATOM 384 C SER A 29 -1.887 16.928 0.135 1.00 0.00 C ATOM 385 O SER A 29 -2.183 17.074 -1.051 1.00 0.00 O ATOM 386 CB SER A 29 0.497 16.182 0.004 1.00 0.00 C ATOM 387 OG SER A 29 0.451 16.342 -1.403 1.00 0.00 O ATOM 0 H SER A 29 -1.370 14.427 -0.886 1.00 0.00 H new ATOM 0 HA SER A 29 -0.837 15.853 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.877 17.094 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.192 15.383 0.260 1.00 0.00 H new ATOM 0 HG SER A 29 -0.432 16.676 -1.666 1.00 0.00 H new ATOM 393 N CYS A 30 -2.404 17.674 1.107 1.00 0.00 N ATOM 394 CA CYS A 30 -3.370 18.729 0.829 1.00 0.00 C ATOM 395 C CYS A 30 -2.815 20.094 1.228 1.00 0.00 C ATOM 396 O CYS A 30 -2.314 20.272 2.338 1.00 0.00 O ATOM 397 CB CYS A 30 -4.678 18.461 1.576 1.00 0.00 C ATOM 398 SG CYS A 30 -6.006 19.650 1.200 1.00 0.00 S ATOM 0 H CYS A 30 -2.169 17.566 2.094 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.566 18.735 -0.243 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.024 17.457 1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.482 18.479 2.648 1.00 0.00 H new ATOM 403 N VAL A 31 -2.907 21.054 0.313 1.00 0.00 N ATOM 404 CA VAL A 31 -2.416 22.403 0.569 1.00 0.00 C ATOM 405 C VAL A 31 -3.527 23.433 0.400 1.00 0.00 C ATOM 406 O VAL A 31 -4.263 23.412 -0.586 1.00 0.00 O ATOM 407 CB VAL A 31 -1.250 22.762 -0.371 1.00 0.00 C ATOM 408 CG1 VAL A 31 -0.722 24.155 -0.059 1.00 0.00 C ATOM 409 CG2 VAL A 31 -0.141 21.727 -0.263 1.00 0.00 C ATOM 0 H VAL A 31 -3.317 20.923 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.062 22.422 1.600 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.619 22.760 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.101 24.391 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.521 24.885 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.368 24.188 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.675 21.996 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.228 21.695 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.530 20.747 -0.540 1.00 0.00 H new ATOM 419 N ALA A 32 -3.641 24.336 1.369 1.00 0.00 N ATOM 420 CA ALA A 32 -4.660 25.377 1.326 1.00 0.00 C ATOM 421 C ALA A 32 -4.102 26.712 1.807 1.00 0.00 C ATOM 422 O ALA A 32 -3.142 26.755 2.577 1.00 0.00 O ATOM 423 CB ALA A 32 -5.863 24.973 2.166 1.00 0.00 C ATOM 0 H ALA A 32 -3.040 24.367 2.193 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.977 25.497 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.616 25.760 2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.284 24.046 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.551 24.823 3.200 1.00 0.00 H new ATOM 429 N THR A 33 -4.708 27.802 1.347 1.00 0.00 N ATOM 430 CA THR A 33 -4.270 29.139 1.728 1.00 0.00 C ATOM 431 C THR A 33 -5.087 29.672 2.899 1.00 0.00 C ATOM 432 O THR A 33 -6.105 29.092 3.274 1.00 0.00 O ATOM 433 CB THR A 33 -4.380 30.124 0.549 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.734 30.567 0.405 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.913 29.474 -0.744 1.00 0.00 C ATOM 0 H THR A 33 -5.504 27.785 0.710 1.00 0.00 H new ATOM 0 HA THR A 33 -3.225 29.056 2.026 1.00 0.00 H new ATOM 0 HB THR A 33 -3.739 30.980 0.759 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.769 31.308 -0.235 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.000 30.189 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.873 29.165 -0.641 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.531 28.602 -0.957 1.00 0.00 H new ATOM 443 N GLY A 34 -4.635 30.782 3.474 1.00 0.00 N ATOM 444 CA GLY A 34 -5.337 31.376 4.597 1.00 0.00 C ATOM 445 C GLY A 34 -4.392 31.907 5.657 1.00 0.00 C ATOM 446 O GLY A 34 -3.310 31.358 5.864 1.00 0.00 O ATOM 0 H GLY A 34 -3.795 31.281 3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.969 32.189 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.997 30.632 5.043 1.00 0.00 H new ATOM 450 N SER A 35 -4.801 32.978 6.329 1.00 0.00 N ATOM 451 CA SER A 35 -3.981 33.587 7.369 1.00 0.00 C ATOM 452 C SER A 35 -4.749 33.676 8.684 1.00 0.00 C ATOM 453 O SER A 35 -5.828 34.265 8.764 1.00 0.00 O ATOM 454 CB SER A 35 -3.524 34.982 6.937 1.00 0.00 C ATOM 455 OG SER A 35 -2.613 35.532 7.872 1.00 0.00 O ATOM 0 H SER A 35 -5.696 33.442 6.172 1.00 0.00 H new ATOM 0 HA SER A 35 -3.105 32.957 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.053 34.926 5.955 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.389 35.637 6.839 1.00 0.00 H new ATOM 0 HG SER A 35 -2.335 36.423 7.572 1.00 0.00 H new ATOM 461 N PRO A 36 -4.182 33.077 9.742 1.00 0.00 N ATOM 462 CA PRO A 36 -2.899 32.372 9.658 1.00 0.00 C ATOM 463 C PRO A 36 -2.999 31.080 8.856 1.00 0.00 C ATOM 464 O PRO A 36 -3.991 30.839 8.168 1.00 0.00 O ATOM 465 CB PRO A 36 -2.565 32.069 11.121 1.00 0.00 C ATOM 466 CG PRO A 36 -3.884 32.037 11.812 1.00 0.00 C ATOM 467 CD PRO A 36 -4.749 33.040 11.100 1.00 0.00 C ATOM 0 HA PRO A 36 -2.141 32.965 9.147 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.044 31.117 11.219 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.914 32.834 11.545 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.324 31.041 11.767 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.778 32.292 12.867 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.795 32.733 11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.708 34.018 11.579 1.00 0.00 H new ATOM 475 N VAL A 37 -1.964 30.250 8.948 1.00 0.00 N ATOM 476 CA VAL A 37 -1.936 28.980 8.232 1.00 0.00 C ATOM 477 C VAL A 37 -3.143 28.120 8.590 1.00 0.00 C ATOM 478 O VAL A 37 -3.428 27.863 9.759 1.00 0.00 O ATOM 479 CB VAL A 37 -0.649 28.192 8.537 1.00 0.00 C ATOM 480 CG1 VAL A 37 -0.660 26.851 7.819 1.00 0.00 C ATOM 481 CG2 VAL A 37 0.578 29.004 8.149 1.00 0.00 C ATOM 0 H VAL A 37 -1.134 30.435 9.511 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.965 29.216 7.168 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.606 28.002 9.609 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.258 26.309 8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.518 26.267 8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.727 27.015 6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.478 28.432 8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.544 29.227 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.591 29.936 8.714 1.00 0.00 H new ATOM 491 N PRO A 38 -3.871 27.664 7.560 1.00 0.00 N ATOM 492 CA PRO A 38 -5.059 26.824 7.740 1.00 0.00 C ATOM 493 C PRO A 38 -4.710 25.427 8.241 1.00 0.00 C ATOM 494 O PRO A 38 -3.706 24.842 7.834 1.00 0.00 O ATOM 495 CB PRO A 38 -5.661 26.754 6.335 1.00 0.00 C ATOM 496 CG PRO A 38 -4.510 26.986 5.418 1.00 0.00 C ATOM 497 CD PRO A 38 -3.589 27.931 6.139 1.00 0.00 C ATOM 0 HA PRO A 38 -5.738 27.233 8.489 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.125 25.785 6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.435 27.509 6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.003 26.050 5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.844 27.413 4.472 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.544 27.740 5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.793 28.969 5.877 1.00 0.00 H new ATOM 505 N THR A 39 -5.547 24.894 9.126 1.00 0.00 N ATOM 506 CA THR A 39 -5.327 23.565 9.683 1.00 0.00 C ATOM 507 C THR A 39 -5.813 22.482 8.727 1.00 0.00 C ATOM 508 O THR A 39 -7.017 22.301 8.539 1.00 0.00 O ATOM 509 CB THR A 39 -6.043 23.398 11.036 1.00 0.00 C ATOM 510 OG1 THR A 39 -5.903 24.591 11.815 1.00 0.00 O ATOM 511 CG2 THR A 39 -5.475 22.215 11.806 1.00 0.00 C ATOM 0 H THR A 39 -6.384 25.363 9.472 1.00 0.00 H new ATOM 0 HA THR A 39 -4.253 23.458 9.833 1.00 0.00 H new ATOM 0 HB THR A 39 -7.100 23.213 10.842 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.363 24.477 12.673 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.996 22.117 12.758 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.609 21.304 11.223 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.413 22.376 11.989 1.00 0.00 H new ATOM 519 N ILE A 40 -4.870 21.764 8.126 1.00 0.00 N ATOM 520 CA ILE A 40 -5.204 20.696 7.191 1.00 0.00 C ATOM 521 C ILE A 40 -5.490 19.391 7.925 1.00 0.00 C ATOM 522 O ILE A 40 -4.594 18.793 8.523 1.00 0.00 O ATOM 523 CB ILE A 40 -4.069 20.463 6.175 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.673 21.781 5.508 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.495 19.442 5.131 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.679 22.270 4.491 1.00 0.00 C ATOM 0 H ILE A 40 -3.870 21.902 8.270 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.100 21.013 6.657 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.201 20.071 6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.545 22.544 6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.707 21.656 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.683 19.288 4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.732 18.498 5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.375 19.808 4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.333 23.209 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.790 21.526 3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.641 22.428 4.978 1.00 0.00 H new ATOM 538 N LEU A 41 -6.743 18.954 7.876 1.00 0.00 N ATOM 539 CA LEU A 41 -7.149 17.717 8.535 1.00 0.00 C ATOM 540 C LEU A 41 -7.428 16.621 7.512 1.00 0.00 C ATOM 541 O LEU A 41 -7.226 16.811 6.313 1.00 0.00 O ATOM 542 CB LEU A 41 -8.391 17.958 9.394 1.00 0.00 C ATOM 543 CG LEU A 41 -8.174 18.757 10.680 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.959 20.229 10.363 1.00 0.00 C ATOM 545 CD2 LEU A 41 -9.354 18.580 11.624 1.00 0.00 C ATOM 0 H LEU A 41 -7.496 19.438 7.387 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.330 17.390 9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.132 18.479 8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.818 16.991 9.659 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.280 18.378 11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.806 20.782 11.290 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.082 20.340 9.726 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.835 20.622 9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.182 19.156 12.533 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.264 18.932 11.139 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.462 17.525 11.877 1.00 0.00 H new ATOM 557 N TRP A 42 -7.896 15.475 7.994 1.00 0.00 N ATOM 558 CA TRP A 42 -8.206 14.349 7.121 1.00 0.00 C ATOM 559 C TRP A 42 -9.430 13.591 7.623 1.00 0.00 C ATOM 560 O TRP A 42 -9.565 13.336 8.820 1.00 0.00 O ATOM 561 CB TRP A 42 -7.007 13.403 7.029 1.00 0.00 C ATOM 562 CG TRP A 42 -5.877 13.954 6.214 1.00 0.00 C ATOM 563 CD1 TRP A 42 -4.697 14.458 6.684 1.00 0.00 C ATOM 564 CD2 TRP A 42 -5.820 14.059 4.788 1.00 0.00 C ATOM 565 NE1 TRP A 42 -3.911 14.870 5.635 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.576 14.635 4.461 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.697 13.720 3.754 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -4.192 14.879 3.146 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -6.314 13.964 2.449 1.00 0.00 C ATOM 570 CH2 TRP A 42 -5.070 14.538 2.153 1.00 0.00 C ATOM 0 H TRP A 42 -8.069 15.301 8.984 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.427 14.742 6.128 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -6.648 13.185 8.035 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.332 12.458 6.594 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.423 14.523 7.727 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.982 15.284 5.717 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.657 13.275 3.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.234 15.322 2.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.985 13.708 1.643 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.799 14.714 1.122 1.00 0.00 H new ATOM 581 N ARG A 43 -10.318 13.233 6.702 1.00 0.00 N ATOM 582 CA ARG A 43 -11.532 12.505 7.053 1.00 0.00 C ATOM 583 C ARG A 43 -11.697 11.269 6.174 1.00 0.00 C ATOM 584 O ARG A 43 -11.300 11.264 5.008 1.00 0.00 O ATOM 585 CB ARG A 43 -12.755 13.412 6.911 1.00 0.00 C ATOM 586 CG ARG A 43 -13.859 13.107 7.910 1.00 0.00 C ATOM 587 CD ARG A 43 -15.233 13.408 7.333 1.00 0.00 C ATOM 588 NE ARG A 43 -16.269 13.421 8.362 1.00 0.00 N ATOM 589 CZ ARG A 43 -17.443 14.024 8.215 1.00 0.00 C ATOM 590 NH1 ARG A 43 -17.729 14.660 7.087 1.00 0.00 N ATOM 591 NH2 ARG A 43 -18.334 13.992 9.198 1.00 0.00 N ATOM 0 H ARG A 43 -10.220 13.435 5.707 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.446 12.183 8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.443 14.449 7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.153 13.315 5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -13.808 12.058 8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.706 13.697 8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.211 14.374 6.829 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.481 12.661 6.579 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.081 12.941 9.242 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.046 14.687 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.632 15.122 6.977 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.117 13.504 10.067 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.236 14.455 9.084 1.00 0.00 H new ATOM 605 N LYS A 44 -12.286 10.221 6.740 1.00 0.00 N ATOM 606 CA LYS A 44 -12.506 8.978 6.009 1.00 0.00 C ATOM 607 C LYS A 44 -13.977 8.577 6.049 1.00 0.00 C ATOM 608 O LYS A 44 -14.526 8.299 7.116 1.00 0.00 O ATOM 609 CB LYS A 44 -11.644 7.858 6.597 1.00 0.00 C ATOM 610 CG LYS A 44 -11.606 6.606 5.738 1.00 0.00 C ATOM 611 CD LYS A 44 -10.493 6.671 4.706 1.00 0.00 C ATOM 612 CE LYS A 44 -10.058 5.281 4.267 1.00 0.00 C ATOM 613 NZ LYS A 44 -9.416 4.524 5.377 1.00 0.00 N ATOM 0 H LYS A 44 -12.620 10.208 7.704 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.220 9.140 4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.627 8.227 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.024 7.599 7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.463 5.732 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.564 6.481 5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.832 7.238 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.640 7.206 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.924 4.728 3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.360 5.365 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.427 4.318 5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.444 5.093 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.928 3.632 5.530 1.00 0.00 H new ATOM 627 N ASP A 45 -14.609 8.546 4.881 1.00 0.00 N ATOM 628 CA ASP A 45 -16.016 8.176 4.782 1.00 0.00 C ATOM 629 C ASP A 45 -16.806 8.722 5.967 1.00 0.00 C ATOM 630 O ASP A 45 -17.531 7.986 6.636 1.00 0.00 O ATOM 631 CB ASP A 45 -16.161 6.655 4.714 1.00 0.00 C ATOM 632 CG ASP A 45 -15.690 6.087 3.390 1.00 0.00 C ATOM 633 OD1 ASP A 45 -15.859 6.769 2.359 1.00 0.00 O ATOM 634 OD2 ASP A 45 -15.152 4.959 3.386 1.00 0.00 O ATOM 0 H ASP A 45 -14.169 8.773 3.989 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.418 8.613 3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.590 6.202 5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -17.205 6.385 4.871 1.00 0.00 H new ATOM 639 N GLY A 46 -16.661 10.019 6.222 1.00 0.00 N ATOM 640 CA GLY A 46 -17.366 10.642 7.327 1.00 0.00 C ATOM 641 C GLY A 46 -16.833 10.202 8.676 1.00 0.00 C ATOM 642 O GLY A 46 -17.566 10.183 9.665 1.00 0.00 O ATOM 0 H GLY A 46 -16.068 10.649 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.283 11.726 7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.426 10.398 7.261 1.00 0.00 H new ATOM 646 N VAL A 47 -15.553 9.846 8.718 1.00 0.00 N ATOM 647 CA VAL A 47 -14.923 9.404 9.956 1.00 0.00 C ATOM 648 C VAL A 47 -13.542 10.028 10.123 1.00 0.00 C ATOM 649 O VAL A 47 -12.613 9.716 9.376 1.00 0.00 O ATOM 650 CB VAL A 47 -14.790 7.870 10.001 1.00 0.00 C ATOM 651 CG1 VAL A 47 -14.165 7.426 11.315 1.00 0.00 C ATOM 652 CG2 VAL A 47 -16.146 7.212 9.797 1.00 0.00 C ATOM 0 H VAL A 47 -14.932 9.855 7.909 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.567 9.730 10.773 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.133 7.556 9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.079 6.339 11.328 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.174 7.869 11.415 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.793 7.751 12.145 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -16.033 6.128 9.832 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -16.828 7.531 10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.550 7.504 8.828 1.00 0.00 H new ATOM 662 N LEU A 48 -13.413 10.911 11.107 1.00 0.00 N ATOM 663 CA LEU A 48 -12.144 11.579 11.373 1.00 0.00 C ATOM 664 C LEU A 48 -11.007 10.568 11.478 1.00 0.00 C ATOM 665 O LEU A 48 -11.007 9.706 12.357 1.00 0.00 O ATOM 666 CB LEU A 48 -12.236 12.395 12.664 1.00 0.00 C ATOM 667 CG LEU A 48 -12.832 13.797 12.530 1.00 0.00 C ATOM 668 CD1 LEU A 48 -11.846 14.734 11.850 1.00 0.00 C ATOM 669 CD2 LEU A 48 -14.143 13.747 11.759 1.00 0.00 C ATOM 0 H LEU A 48 -14.171 11.181 11.734 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.933 12.249 10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.834 11.835 13.383 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.235 12.486 13.085 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.036 14.182 13.529 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.288 15.727 11.764 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.933 14.794 12.442 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.610 14.354 10.856 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.553 14.753 11.673 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.964 13.342 10.763 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.852 13.110 12.288 1.00 0.00 H new ATOM 681 N VAL A 49 -10.036 10.680 10.576 1.00 0.00 N ATOM 682 CA VAL A 49 -8.891 9.778 10.569 1.00 0.00 C ATOM 683 C VAL A 49 -8.404 9.496 11.986 1.00 0.00 C ATOM 684 O VAL A 49 -8.401 10.383 12.840 1.00 0.00 O ATOM 685 CB VAL A 49 -7.727 10.355 9.743 1.00 0.00 C ATOM 686 CG1 VAL A 49 -6.486 9.487 9.888 1.00 0.00 C ATOM 687 CG2 VAL A 49 -8.126 10.489 8.281 1.00 0.00 C ATOM 0 H VAL A 49 -10.020 11.387 9.841 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.225 8.847 10.111 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.492 11.349 10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.674 9.911 9.297 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.190 9.448 10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.704 8.479 9.535 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.291 10.898 7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.389 9.508 7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.984 11.156 8.198 1.00 0.00 H new ATOM 697 N SER A 50 -7.992 8.256 12.229 1.00 0.00 N ATOM 698 CA SER A 50 -7.506 7.856 13.544 1.00 0.00 C ATOM 699 C SER A 50 -5.981 7.797 13.565 1.00 0.00 C ATOM 700 O SER A 50 -5.379 6.824 13.110 1.00 0.00 O ATOM 701 CB SER A 50 -8.085 6.495 13.934 1.00 0.00 C ATOM 702 OG SER A 50 -9.305 6.643 14.640 1.00 0.00 O ATOM 0 H SER A 50 -7.985 7.511 11.532 1.00 0.00 H new ATOM 0 HA SER A 50 -7.834 8.603 14.267 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.250 5.896 13.038 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.367 5.954 14.551 1.00 0.00 H new ATOM 0 HG SER A 50 -9.655 5.759 14.876 1.00 0.00 H new ATOM 708 N THR A 51 -5.362 8.847 14.096 1.00 0.00 N ATOM 709 CA THR A 51 -3.908 8.917 14.175 1.00 0.00 C ATOM 710 C THR A 51 -3.383 8.121 15.365 1.00 0.00 C ATOM 711 O THR A 51 -2.554 8.610 16.131 1.00 0.00 O ATOM 712 CB THR A 51 -3.421 10.373 14.291 1.00 0.00 C ATOM 713 OG1 THR A 51 -4.135 11.047 15.333 1.00 0.00 O ATOM 714 CG2 THR A 51 -3.614 11.115 12.976 1.00 0.00 C ATOM 0 H THR A 51 -5.845 9.660 14.478 1.00 0.00 H new ATOM 0 HA THR A 51 -3.520 8.485 13.253 1.00 0.00 H new ATOM 0 HB THR A 51 -2.358 10.359 14.530 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.818 11.972 15.401 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.263 12.141 13.082 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.046 10.617 12.190 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.672 11.119 12.712 1.00 0.00 H new ATOM 722 N GLN A 52 -3.872 6.894 15.513 1.00 0.00 N ATOM 723 CA GLN A 52 -3.452 6.032 16.611 1.00 0.00 C ATOM 724 C GLN A 52 -2.678 4.825 16.090 1.00 0.00 C ATOM 725 O GLN A 52 -1.868 4.238 16.807 1.00 0.00 O ATOM 726 CB GLN A 52 -4.666 5.566 17.415 1.00 0.00 C ATOM 727 CG GLN A 52 -5.365 4.356 16.815 1.00 0.00 C ATOM 728 CD GLN A 52 -6.427 3.782 17.732 1.00 0.00 C ATOM 729 OE1 GLN A 52 -7.022 4.498 18.538 1.00 0.00 O ATOM 730 NE2 GLN A 52 -6.670 2.481 17.615 1.00 0.00 N ATOM 0 H GLN A 52 -4.559 6.475 14.887 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.795 6.609 17.261 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.349 5.326 18.430 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.379 6.387 17.490 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.823 4.639 15.867 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.626 3.586 16.595 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.153 1.925 16.934 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.373 2.038 18.207 1.00 0.00 H new ATOM 739 N ASP A 53 -2.934 4.461 14.838 1.00 0.00 N ATOM 740 CA ASP A 53 -2.261 3.324 14.220 1.00 0.00 C ATOM 741 C ASP A 53 -0.991 3.769 13.503 1.00 0.00 C ATOM 742 O ASP A 53 -1.021 4.674 12.669 1.00 0.00 O ATOM 743 CB ASP A 53 -3.199 2.622 13.236 1.00 0.00 C ATOM 744 CG ASP A 53 -2.743 1.214 12.906 1.00 0.00 C ATOM 745 OD1 ASP A 53 -1.525 0.952 12.982 1.00 0.00 O ATOM 746 OD2 ASP A 53 -3.606 0.375 12.573 1.00 0.00 O ATOM 0 H ASP A 53 -3.602 4.936 14.231 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.985 2.624 15.008 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.203 2.586 13.658 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.260 3.206 12.317 1.00 0.00 H new ATOM 751 N SER A 54 0.125 3.127 13.834 1.00 0.00 N ATOM 752 CA SER A 54 1.408 3.459 13.225 1.00 0.00 C ATOM 753 C SER A 54 1.266 3.621 11.714 1.00 0.00 C ATOM 754 O SER A 54 2.047 4.329 11.079 1.00 0.00 O ATOM 755 CB SER A 54 2.441 2.376 13.538 1.00 0.00 C ATOM 756 OG SER A 54 3.620 2.560 12.773 1.00 0.00 O ATOM 0 H SER A 54 0.167 2.374 14.521 1.00 0.00 H new ATOM 0 HA SER A 54 1.747 4.406 13.645 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.686 2.398 14.600 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.018 1.394 13.329 1.00 0.00 H new ATOM 0 HG SER A 54 4.265 1.856 12.992 1.00 0.00 H new ATOM 762 N ARG A 55 0.263 2.960 11.146 1.00 0.00 N ATOM 763 CA ARG A 55 0.018 3.029 9.710 1.00 0.00 C ATOM 764 C ARG A 55 -0.189 4.473 9.263 1.00 0.00 C ATOM 765 O ARG A 55 0.407 4.921 8.283 1.00 0.00 O ATOM 766 CB ARG A 55 -1.204 2.187 9.339 1.00 0.00 C ATOM 767 CG ARG A 55 -1.018 0.700 9.588 1.00 0.00 C ATOM 768 CD ARG A 55 -2.115 -0.118 8.924 1.00 0.00 C ATOM 769 NE ARG A 55 -3.345 -0.125 9.711 1.00 0.00 N ATOM 770 CZ ARG A 55 -4.266 0.830 9.644 1.00 0.00 C ATOM 771 NH1 ARG A 55 -4.097 1.863 8.830 1.00 0.00 N ATOM 772 NH2 ARG A 55 -5.359 0.752 10.392 1.00 0.00 N ATOM 0 H ARG A 55 -0.393 2.370 11.658 1.00 0.00 H new ATOM 0 HA ARG A 55 0.893 2.631 9.197 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.063 2.538 9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.436 2.344 8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.047 0.385 9.207 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.017 0.507 10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.321 0.288 7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.769 -1.142 8.783 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.506 -0.906 10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.258 1.926 8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.806 2.595 8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.492 -0.041 11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.066 1.486 10.340 1.00 0.00 H new ATOM 786 N ILE A 56 -1.038 5.195 9.987 1.00 0.00 N ATOM 787 CA ILE A 56 -1.323 6.587 9.664 1.00 0.00 C ATOM 788 C ILE A 56 -0.458 7.531 10.492 1.00 0.00 C ATOM 789 O ILE A 56 -0.410 7.434 11.718 1.00 0.00 O ATOM 790 CB ILE A 56 -2.807 6.927 9.902 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.700 6.058 9.014 1.00 0.00 C ATOM 792 CG2 ILE A 56 -3.061 8.403 9.635 1.00 0.00 C ATOM 793 CD1 ILE A 56 -4.084 4.740 9.649 1.00 0.00 C ATOM 0 H ILE A 56 -1.540 4.839 10.800 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.093 6.720 8.607 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.050 6.719 10.944 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.606 6.613 8.771 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.184 5.863 8.074 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.114 8.628 9.807 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.447 9.005 10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.805 8.635 8.601 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.717 4.177 8.963 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.184 4.165 9.867 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.628 4.927 10.575 1.00 0.00 H new ATOM 805 N LYS A 57 0.224 8.447 9.813 1.00 0.00 N ATOM 806 CA LYS A 57 1.087 9.413 10.484 1.00 0.00 C ATOM 807 C LYS A 57 1.143 10.724 9.707 1.00 0.00 C ATOM 808 O LYS A 57 1.141 10.726 8.476 1.00 0.00 O ATOM 809 CB LYS A 57 2.497 8.842 10.646 1.00 0.00 C ATOM 810 CG LYS A 57 3.494 9.837 11.215 1.00 0.00 C ATOM 811 CD LYS A 57 4.622 9.135 11.954 1.00 0.00 C ATOM 812 CE LYS A 57 5.903 9.953 11.921 1.00 0.00 C ATOM 813 NZ LYS A 57 6.577 9.875 10.596 1.00 0.00 N ATOM 0 H LYS A 57 0.196 8.541 8.798 1.00 0.00 H new ATOM 0 HA LYS A 57 0.668 9.614 11.470 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.454 7.970 11.298 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.854 8.497 9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.907 10.442 10.408 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.982 10.519 11.894 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.327 8.960 12.989 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.801 8.158 11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.675 10.994 12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.582 9.596 12.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.879 10.826 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.408 9.254 10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.915 9.490 9.892 1.00 0.00 H new ATOM 827 N GLN A 58 1.195 11.836 10.433 1.00 0.00 N ATOM 828 CA GLN A 58 1.253 13.153 9.810 1.00 0.00 C ATOM 829 C GLN A 58 2.688 13.668 9.759 1.00 0.00 C ATOM 830 O GLN A 58 3.251 14.071 10.777 1.00 0.00 O ATOM 831 CB GLN A 58 0.371 14.141 10.575 1.00 0.00 C ATOM 832 CG GLN A 58 -1.066 14.181 10.082 1.00 0.00 C ATOM 833 CD GLN A 58 -1.847 15.349 10.653 1.00 0.00 C ATOM 834 OE1 GLN A 58 -1.711 15.686 11.829 1.00 0.00 O ATOM 835 NE2 GLN A 58 -2.670 15.975 9.819 1.00 0.00 N ATOM 0 H GLN A 58 1.198 11.851 11.453 1.00 0.00 H new ATOM 0 HA GLN A 58 0.883 13.061 8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.376 13.877 11.632 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.802 15.139 10.494 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.071 14.243 8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.564 13.250 10.351 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.751 15.662 8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.220 16.769 10.146 1.00 0.00 H new ATOM 844 N LEU A 59 3.275 13.651 8.567 1.00 0.00 N ATOM 845 CA LEU A 59 4.645 14.116 8.382 1.00 0.00 C ATOM 846 C LEU A 59 4.712 15.640 8.415 1.00 0.00 C ATOM 847 O LEU A 59 5.269 16.226 9.342 1.00 0.00 O ATOM 848 CB LEU A 59 5.206 13.598 7.057 1.00 0.00 C ATOM 849 CG LEU A 59 5.198 12.080 6.873 1.00 0.00 C ATOM 850 CD1 LEU A 59 5.849 11.394 8.064 1.00 0.00 C ATOM 851 CD2 LEU A 59 3.776 11.574 6.676 1.00 0.00 C ATOM 0 H LEU A 59 2.823 13.320 7.714 1.00 0.00 H new ATOM 0 HA LEU A 59 5.249 13.726 9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.635 14.046 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.233 13.951 6.957 1.00 0.00 H new ATOM 0 HG LEU A 59 5.776 11.839 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.834 10.314 7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.881 11.733 8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.300 11.643 8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.790 10.492 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.175 11.828 7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.343 12.040 5.791 1.00 0.00 H new ATOM 863 N GLU A 60 4.138 16.274 7.397 1.00 0.00 N ATOM 864 CA GLU A 60 4.132 17.730 7.310 1.00 0.00 C ATOM 865 C GLU A 60 2.711 18.275 7.424 1.00 0.00 C ATOM 866 O GLU A 60 1.756 17.518 7.590 1.00 0.00 O ATOM 867 CB GLU A 60 4.762 18.187 5.993 1.00 0.00 C ATOM 868 CG GLU A 60 6.210 17.755 5.829 1.00 0.00 C ATOM 869 CD GLU A 60 7.171 18.625 6.616 1.00 0.00 C ATOM 870 OE1 GLU A 60 7.559 19.695 6.103 1.00 0.00 O ATOM 871 OE2 GLU A 60 7.535 18.234 7.745 1.00 0.00 O ATOM 0 H GLU A 60 3.672 15.803 6.622 1.00 0.00 H new ATOM 0 HA GLU A 60 4.720 18.121 8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.177 17.790 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.707 19.274 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.315 16.719 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.478 17.788 4.773 1.00 0.00 H new ATOM 878 N ASN A 61 2.582 19.595 7.332 1.00 0.00 N ATOM 879 CA ASN A 61 1.279 20.243 7.425 1.00 0.00 C ATOM 880 C ASN A 61 0.398 19.867 6.238 1.00 0.00 C ATOM 881 O ASN A 61 0.574 20.378 5.133 1.00 0.00 O ATOM 882 CB ASN A 61 1.445 21.763 7.489 1.00 0.00 C ATOM 883 CG ASN A 61 2.674 22.242 6.741 1.00 0.00 C ATOM 884 OD1 ASN A 61 3.748 22.395 7.323 1.00 0.00 O ATOM 885 ND2 ASN A 61 2.521 22.481 5.444 1.00 0.00 N ATOM 0 H ASN A 61 3.363 20.236 7.193 1.00 0.00 H new ATOM 0 HA ASN A 61 0.795 19.898 8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.559 22.240 7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.513 22.075 8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.313 22.805 4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.612 22.340 5.003 1.00 0.00 H new ATOM 892 N GLY A 62 -0.553 18.968 6.475 1.00 0.00 N ATOM 893 CA GLY A 62 -1.448 18.538 5.416 1.00 0.00 C ATOM 894 C GLY A 62 -1.012 17.232 4.782 1.00 0.00 C ATOM 895 O GLY A 62 -1.823 16.519 4.192 1.00 0.00 O ATOM 0 H GLY A 62 -0.719 18.530 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.454 18.424 5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.497 19.312 4.650 1.00 0.00 H new ATOM 899 N VAL A 63 0.274 16.918 4.903 1.00 0.00 N ATOM 900 CA VAL A 63 0.817 15.689 4.337 1.00 0.00 C ATOM 901 C VAL A 63 0.625 14.514 5.288 1.00 0.00 C ATOM 902 O VAL A 63 1.186 14.490 6.385 1.00 0.00 O ATOM 903 CB VAL A 63 2.316 15.835 4.014 1.00 0.00 C ATOM 904 CG1 VAL A 63 2.817 14.622 3.245 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.571 17.115 3.232 1.00 0.00 C ATOM 0 H VAL A 63 0.959 17.498 5.388 1.00 0.00 H new ATOM 0 HA VAL A 63 0.271 15.497 3.413 1.00 0.00 H new ATOM 0 HB VAL A 63 2.868 15.894 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.878 14.743 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.671 13.724 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.262 14.528 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.635 17.201 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.009 17.089 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.252 17.973 3.824 1.00 0.00 H new ATOM 915 N LEU A 64 -0.171 13.539 4.863 1.00 0.00 N ATOM 916 CA LEU A 64 -0.437 12.358 5.677 1.00 0.00 C ATOM 917 C LEU A 64 -0.122 11.082 4.904 1.00 0.00 C ATOM 918 O LEU A 64 -0.677 10.842 3.832 1.00 0.00 O ATOM 919 CB LEU A 64 -1.898 12.346 6.130 1.00 0.00 C ATOM 920 CG LEU A 64 -2.386 11.056 6.789 1.00 0.00 C ATOM 921 CD1 LEU A 64 -2.141 11.097 8.290 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.861 10.831 6.494 1.00 0.00 C ATOM 0 H LEU A 64 -0.644 13.543 3.959 1.00 0.00 H new ATOM 0 HA LEU A 64 0.209 12.398 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.047 13.167 6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.528 12.548 5.264 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.821 10.222 6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.495 10.170 8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.074 11.210 8.482 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.679 11.940 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.191 9.908 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.442 11.668 6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.009 10.756 5.417 1.00 0.00 H new ATOM 934 N GLN A 65 0.770 10.266 5.457 1.00 0.00 N ATOM 935 CA GLN A 65 1.156 9.013 4.819 1.00 0.00 C ATOM 936 C GLN A 65 0.518 7.822 5.527 1.00 0.00 C ATOM 937 O GLN A 65 0.441 7.786 6.755 1.00 0.00 O ATOM 938 CB GLN A 65 2.679 8.865 4.819 1.00 0.00 C ATOM 939 CG GLN A 65 3.178 7.709 3.967 1.00 0.00 C ATOM 940 CD GLN A 65 4.601 7.911 3.486 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.844 8.618 2.507 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.552 7.289 4.173 1.00 0.00 N ATOM 0 H GLN A 65 1.238 10.450 6.344 1.00 0.00 H new ATOM 0 HA GLN A 65 0.799 9.034 3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.126 9.791 4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.022 8.725 5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.121 6.786 4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.521 7.587 3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.306 6.713 4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.529 7.387 3.896 1.00 0.00 H new ATOM 951 N ILE A 66 0.061 6.851 4.744 1.00 0.00 N ATOM 952 CA ILE A 66 -0.571 5.659 5.296 1.00 0.00 C ATOM 953 C ILE A 66 0.099 4.391 4.776 1.00 0.00 C ATOM 954 O ILE A 66 -0.130 3.978 3.639 1.00 0.00 O ATOM 955 CB ILE A 66 -2.072 5.609 4.958 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.796 6.809 5.572 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.683 4.305 5.451 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.801 8.032 4.682 1.00 0.00 C ATOM 0 H ILE A 66 0.116 6.866 3.726 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.453 5.712 6.378 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.187 5.655 3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.825 6.527 5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.323 7.062 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.745 4.285 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.183 3.464 4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.560 4.231 6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.331 8.843 5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.775 8.339 4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.301 7.796 3.742 1.00 0.00 H new ATOM 970 N ARG A 67 0.926 3.778 5.616 1.00 0.00 N ATOM 971 CA ARG A 67 1.628 2.556 5.242 1.00 0.00 C ATOM 972 C ARG A 67 0.784 1.325 5.558 1.00 0.00 C ATOM 973 O ARG A 67 -0.041 1.344 6.471 1.00 0.00 O ATOM 974 CB ARG A 67 2.970 2.470 5.972 1.00 0.00 C ATOM 975 CG ARG A 67 4.110 3.151 5.233 1.00 0.00 C ATOM 976 CD ARG A 67 5.373 3.196 6.078 1.00 0.00 C ATOM 977 NE ARG A 67 6.459 3.902 5.403 1.00 0.00 N ATOM 978 CZ ARG A 67 7.734 3.803 5.761 1.00 0.00 C ATOM 979 NH1 ARG A 67 8.082 3.032 6.782 1.00 0.00 N ATOM 980 NH2 ARG A 67 8.665 4.477 5.097 1.00 0.00 N ATOM 0 H ARG A 67 1.127 4.107 6.560 1.00 0.00 H new ATOM 0 HA ARG A 67 1.808 2.585 4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.867 2.922 6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.223 1.421 6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.312 2.619 4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.815 4.165 4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.157 3.686 7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.690 2.179 6.310 1.00 0.00 H new ATOM 0 HE ARG A 67 6.225 4.504 4.613 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.370 2.513 7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.062 2.958 7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.401 5.071 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.644 4.400 5.373 1.00 0.00 H new ATOM 994 N TYR A 68 0.998 0.257 4.798 1.00 0.00 N ATOM 995 CA TYR A 68 0.255 -0.982 4.996 1.00 0.00 C ATOM 996 C TYR A 68 -1.228 -0.781 4.700 1.00 0.00 C ATOM 997 O TYR A 68 -2.088 -1.179 5.486 1.00 0.00 O ATOM 998 CB TYR A 68 0.437 -1.488 6.428 1.00 0.00 C ATOM 999 CG TYR A 68 1.882 -1.546 6.870 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.677 -2.646 6.573 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.452 -0.499 7.585 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.997 -2.703 6.976 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.772 -0.547 7.991 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.540 -1.651 7.684 1.00 0.00 C ATOM 1005 OH TYR A 68 5.855 -1.703 8.087 1.00 0.00 O ATOM 0 H TYR A 68 1.679 0.224 4.040 1.00 0.00 H new ATOM 0 HA TYR A 68 0.648 -1.726 4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.116 -0.839 7.107 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.000 -2.483 6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.256 -3.471 6.017 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.853 0.366 7.827 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.601 -3.566 6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.200 0.275 8.545 1.00 0.00 H new ATOM 0 HH TYR A 68 6.081 -0.883 8.573 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.519 -0.162 3.561 1.00 0.00 N ATOM 1016 CA ALA A 69 -2.898 0.090 3.159 1.00 0.00 C ATOM 1017 C ALA A 69 -3.675 -1.215 3.018 1.00 0.00 C ATOM 1018 O ALA A 69 -3.480 -1.966 2.062 1.00 0.00 O ATOM 1019 CB ALA A 69 -2.932 0.871 1.853 1.00 0.00 C ATOM 0 H ALA A 69 -0.819 0.174 2.900 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.376 0.685 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.967 1.052 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.420 1.824 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.433 0.297 1.072 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.558 -1.478 3.975 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.366 -2.691 3.959 1.00 0.00 C ATOM 1027 C LYS A 70 -6.611 -2.504 3.096 1.00 0.00 C ATOM 1028 O LYS A 70 -6.982 -1.379 2.761 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.773 -3.078 5.383 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.605 -3.147 6.351 1.00 0.00 C ATOM 1031 CD LYS A 70 -3.983 -4.532 6.376 1.00 0.00 C ATOM 1032 CE LYS A 70 -3.336 -4.828 7.721 1.00 0.00 C ATOM 1033 NZ LYS A 70 -2.907 -6.251 7.829 1.00 0.00 N ATOM 0 H LYS A 70 -4.732 -0.866 4.772 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.764 -3.492 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.499 -2.355 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.272 -4.047 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.851 -2.414 6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.945 -2.882 7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.748 -5.280 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.236 -4.611 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.473 -4.177 7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.040 -4.599 8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.471 -6.413 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.734 -6.872 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.216 -6.463 7.081 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.251 -3.613 2.742 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.456 -3.570 1.920 1.00 0.00 C ATOM 1049 C LEU A 71 -9.491 -2.624 2.519 1.00 0.00 C ATOM 1050 O LEU A 71 -10.150 -1.873 1.801 1.00 0.00 O ATOM 1051 CB LEU A 71 -9.050 -4.973 1.779 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.355 -5.900 0.782 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.855 -7.327 0.942 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.574 -5.412 -0.642 1.00 0.00 C ATOM 0 H LEU A 71 -6.956 -4.552 3.011 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.180 -3.198 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.037 -5.451 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.095 -4.875 1.486 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.285 -5.887 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.349 -7.972 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.645 -7.675 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.930 -7.358 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.072 -6.084 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.642 -5.394 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.165 -4.407 -0.749 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.628 -2.665 3.841 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.583 -1.805 4.515 1.00 0.00 C ATOM 1068 C GLY A 72 -10.292 -0.333 4.297 1.00 0.00 C ATOM 1069 O GLY A 72 -11.211 0.483 4.221 1.00 0.00 O ATOM 0 H GLY A 72 -9.095 -3.278 4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.587 -2.031 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.570 -2.020 5.583 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.012 0.007 4.199 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.602 1.391 3.990 1.00 0.00 C ATOM 1075 C ASP A 73 -9.350 2.007 2.812 1.00 0.00 C ATOM 1076 O ASP A 73 -9.497 3.226 2.724 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.094 1.468 3.750 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.292 1.055 4.968 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -6.778 0.200 5.737 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -5.177 1.589 5.154 1.00 0.00 O ATOM 0 H ASP A 73 -8.240 -0.657 4.261 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.848 1.957 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.830 0.826 2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.825 2.487 3.470 1.00 0.00 H new ATOM 1085 N THR A 74 -9.819 1.155 1.905 1.00 0.00 N ATOM 1086 CA THR A 74 -10.549 1.615 0.730 1.00 0.00 C ATOM 1087 C THR A 74 -11.658 2.587 1.118 1.00 0.00 C ATOM 1088 O THR A 74 -12.737 2.176 1.542 1.00 0.00 O ATOM 1089 CB THR A 74 -11.164 0.436 -0.046 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.133 -0.462 -0.472 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.943 0.931 -1.256 1.00 0.00 C ATOM 0 H THR A 74 -9.706 0.143 1.962 1.00 0.00 H new ATOM 0 HA THR A 74 -9.829 2.125 0.090 1.00 0.00 H new ATOM 0 HB THR A 74 -11.850 -0.088 0.619 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.083 -1.220 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.368 0.080 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.746 1.591 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.274 1.477 -1.921 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.385 3.880 0.968 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.370 4.890 1.307 1.00 0.00 C ATOM 1101 C GLY A 75 -12.105 6.213 0.615 1.00 0.00 C ATOM 1102 O GLY A 75 -11.126 6.353 -0.118 1.00 0.00 O ATOM 0 H GLY A 75 -10.499 4.245 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.362 4.532 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.373 5.042 2.386 1.00 0.00 H new ATOM 1106 N ARG A 76 -12.980 7.186 0.847 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.838 8.503 0.239 1.00 0.00 C ATOM 1108 C ARG A 76 -12.121 9.463 1.183 1.00 0.00 C ATOM 1109 O ARG A 76 -12.696 9.925 2.169 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.209 9.067 -0.135 1.00 0.00 C ATOM 1111 CG ARG A 76 -14.666 8.683 -1.533 1.00 0.00 C ATOM 1112 CD ARG A 76 -16.183 8.683 -1.643 1.00 0.00 C ATOM 1113 NE ARG A 76 -16.659 7.719 -2.631 1.00 0.00 N ATOM 1114 CZ ARG A 76 -16.488 7.864 -3.941 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -15.855 8.927 -4.416 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -16.951 6.943 -4.777 1.00 0.00 N ATOM 0 H ARG A 76 -13.795 7.087 1.452 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.239 8.395 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.946 8.717 0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.179 10.154 -0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.248 9.381 -2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.282 7.694 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.617 8.450 -0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.527 9.681 -1.915 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.149 6.889 -2.298 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.498 9.636 -3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.725 9.036 -5.422 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -17.438 6.124 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.820 7.055 -5.782 1.00 0.00 H new ATOM 1130 N TYR A 77 -10.863 9.759 0.876 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.066 10.661 1.698 1.00 0.00 C ATOM 1132 C TYR A 77 -10.341 12.117 1.333 1.00 0.00 C ATOM 1133 O TYR A 77 -10.345 12.485 0.158 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.577 10.355 1.534 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.126 9.121 2.283 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -7.720 9.199 3.609 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -8.107 7.877 1.664 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -7.306 8.075 4.297 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.697 6.747 2.344 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.297 6.851 3.660 1.00 0.00 C ATOM 1141 OH TYR A 77 -6.887 5.728 4.343 1.00 0.00 O ATOM 0 H TYR A 77 -10.373 9.387 0.063 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.348 10.506 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.355 10.228 0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.998 11.211 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.728 10.155 4.111 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.418 7.792 0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.991 8.154 5.327 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.690 5.788 1.848 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.941 4.948 3.752 1.00 0.00 H new ATOM 1151 N THR A 78 -10.570 12.942 2.349 1.00 0.00 N ATOM 1152 CA THR A 78 -10.846 14.357 2.137 1.00 0.00 C ATOM 1153 C THR A 78 -10.153 15.216 3.189 1.00 0.00 C ATOM 1154 O THR A 78 -10.197 14.912 4.381 1.00 0.00 O ATOM 1155 CB THR A 78 -12.359 14.646 2.171 1.00 0.00 C ATOM 1156 OG1 THR A 78 -12.976 14.168 0.970 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.623 16.136 2.325 1.00 0.00 C ATOM 0 H THR A 78 -10.570 12.654 3.328 1.00 0.00 H new ATOM 0 HA THR A 78 -10.457 14.610 1.151 1.00 0.00 H new ATOM 0 HB THR A 78 -12.786 14.128 3.030 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.845 14.822 0.252 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.698 16.315 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.178 16.490 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.183 16.672 1.484 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.515 16.292 2.741 1.00 0.00 N ATOM 1166 CA CYS A 79 -8.812 17.196 3.643 1.00 0.00 C ATOM 1167 C CYS A 79 -9.688 18.392 4.006 1.00 0.00 C ATOM 1168 O CYS A 79 -10.417 18.918 3.164 1.00 0.00 O ATOM 1169 CB CYS A 79 -7.510 17.680 3.001 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.748 18.669 1.490 1.00 0.00 S ATOM 0 H CYS A 79 -9.470 16.559 1.758 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.578 16.649 4.556 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.958 18.275 3.729 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.892 16.815 2.762 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.610 18.815 5.262 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.394 19.949 5.736 1.00 0.00 C ATOM 1177 C ILE A 80 -9.491 21.071 6.236 1.00 0.00 C ATOM 1178 O ILE A 80 -8.557 20.836 7.002 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.355 19.536 6.866 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -12.204 18.339 6.432 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.243 20.707 7.261 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.584 17.003 6.775 1.00 0.00 C ATOM 0 H ILE A 80 -9.012 18.390 5.971 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.977 20.306 4.887 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.766 19.243 7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.184 18.408 6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.366 18.390 5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.917 20.399 8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.623 21.534 7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.827 21.028 6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.240 16.200 6.438 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.617 16.913 6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.448 16.931 7.854 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.778 22.294 5.800 1.00 0.00 N ATOM 1195 CA ALA A 81 -8.995 23.454 6.207 1.00 0.00 C ATOM 1196 C ALA A 81 -9.856 24.461 6.960 1.00 0.00 C ATOM 1197 O ALA A 81 -10.805 25.017 6.408 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.353 24.109 4.992 1.00 0.00 C ATOM 0 H ALA A 81 -10.547 22.506 5.165 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.209 23.113 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.771 24.974 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.697 23.393 4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.130 24.430 4.298 1.00 0.00 H new ATOM 1204 N SER A 82 -9.520 24.690 8.226 1.00 0.00 N ATOM 1205 CA SER A 82 -10.266 25.628 9.057 1.00 0.00 C ATOM 1206 C SER A 82 -9.477 26.917 9.264 1.00 0.00 C ATOM 1207 O SER A 82 -8.295 26.888 9.608 1.00 0.00 O ATOM 1208 CB SER A 82 -10.593 24.994 10.410 1.00 0.00 C ATOM 1209 OG SER A 82 -11.204 25.932 11.279 1.00 0.00 O ATOM 0 H SER A 82 -8.736 24.239 8.698 1.00 0.00 H new ATOM 0 HA SER A 82 -11.196 25.871 8.543 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.257 24.142 10.265 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.680 24.612 10.866 1.00 0.00 H new ATOM 0 HG SER A 82 -11.405 25.501 12.136 1.00 0.00 H new ATOM 1215 N THR A 83 -10.140 28.050 9.051 1.00 0.00 N ATOM 1216 CA THR A 83 -9.503 29.351 9.212 1.00 0.00 C ATOM 1217 C THR A 83 -10.486 30.381 9.756 1.00 0.00 C ATOM 1218 O THR A 83 -11.703 30.214 9.680 1.00 0.00 O ATOM 1219 CB THR A 83 -8.925 29.862 7.879 1.00 0.00 C ATOM 1220 OG1 THR A 83 -9.699 29.359 6.785 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.473 29.435 7.719 1.00 0.00 C ATOM 0 H THR A 83 -11.119 28.092 8.766 1.00 0.00 H new ATOM 0 HA THR A 83 -8.689 29.219 9.925 1.00 0.00 H new ATOM 0 HB THR A 83 -8.968 30.951 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.653 29.464 6.983 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.087 29.807 6.770 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.881 29.844 8.538 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.410 28.347 7.734 1.00 0.00 H new ATOM 1229 N PRO A 84 -9.948 31.475 10.317 1.00 0.00 N ATOM 1230 CA PRO A 84 -10.761 32.555 10.883 1.00 0.00 C ATOM 1231 C PRO A 84 -11.499 33.348 9.809 1.00 0.00 C ATOM 1232 O PRO A 84 -12.232 34.289 10.114 1.00 0.00 O ATOM 1233 CB PRO A 84 -9.732 33.440 11.590 1.00 0.00 C ATOM 1234 CG PRO A 84 -8.452 33.180 10.873 1.00 0.00 C ATOM 1235 CD PRO A 84 -8.505 31.741 10.441 1.00 0.00 C ATOM 0 HA PRO A 84 -11.541 32.176 11.543 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.010 34.492 11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.652 33.187 12.647 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.345 33.842 10.014 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.596 33.361 11.524 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.985 31.586 9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.037 31.084 11.174 1.00 0.00 H new ATOM 1243 N SER A 85 -11.300 32.962 8.553 1.00 0.00 N ATOM 1244 CA SER A 85 -11.945 33.640 7.434 1.00 0.00 C ATOM 1245 C SER A 85 -12.952 32.722 6.750 1.00 0.00 C ATOM 1246 O SER A 85 -13.903 33.184 6.121 1.00 0.00 O ATOM 1247 CB SER A 85 -10.897 34.110 6.423 1.00 0.00 C ATOM 1248 OG SER A 85 -11.403 35.157 5.613 1.00 0.00 O ATOM 0 H SER A 85 -10.698 32.184 8.284 1.00 0.00 H new ATOM 0 HA SER A 85 -12.478 34.507 7.825 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.006 34.452 6.950 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.593 33.273 5.794 1.00 0.00 H new ATOM 0 HG SER A 85 -10.714 35.440 4.977 1.00 0.00 H new ATOM 1254 N GLY A 86 -12.736 31.416 6.878 1.00 0.00 N ATOM 1255 CA GLY A 86 -13.633 30.452 6.267 1.00 0.00 C ATOM 1256 C GLY A 86 -13.100 29.035 6.344 1.00 0.00 C ATOM 1257 O GLY A 86 -12.187 28.750 7.119 1.00 0.00 O ATOM 0 H GLY A 86 -11.956 31.009 7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.603 30.499 6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.793 30.720 5.223 1.00 0.00 H new ATOM 1261 N GLU A 87 -13.672 28.145 5.540 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.250 26.749 5.523 1.00 0.00 C ATOM 1263 C GLU A 87 -13.527 26.114 4.163 1.00 0.00 C ATOM 1264 O GLU A 87 -14.545 26.393 3.532 1.00 0.00 O ATOM 1265 CB GLU A 87 -13.968 25.963 6.621 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.353 24.600 6.896 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.373 23.586 7.376 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.529 23.639 6.906 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -14.016 22.741 8.223 1.00 0.00 O ATOM 0 H GLU A 87 -14.428 28.365 4.892 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.176 26.718 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.959 26.548 7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.012 25.831 6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.878 24.230 5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.569 24.704 7.646 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.611 25.258 3.719 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.757 24.582 2.437 1.00 0.00 C ATOM 1278 C ALA A 88 -12.381 23.108 2.547 1.00 0.00 C ATOM 1279 O ALA A 88 -11.821 22.673 3.554 1.00 0.00 O ATOM 1280 CB ALA A 88 -11.905 25.268 1.379 1.00 0.00 C ATOM 0 H ALA A 88 -11.761 25.017 4.229 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.804 24.642 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.024 24.753 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.223 26.305 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.858 25.238 1.680 1.00 0.00 H new ATOM 1286 N THR A 89 -12.693 22.342 1.506 1.00 0.00 N ATOM 1287 CA THR A 89 -12.389 20.917 1.487 1.00 0.00 C ATOM 1288 C THR A 89 -11.986 20.459 0.090 1.00 0.00 C ATOM 1289 O THR A 89 -12.116 21.206 -0.879 1.00 0.00 O ATOM 1290 CB THR A 89 -13.593 20.080 1.962 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.716 20.306 1.103 1.00 0.00 O ATOM 1292 CG2 THR A 89 -13.965 20.432 3.395 1.00 0.00 C ATOM 0 H THR A 89 -13.156 22.685 0.665 1.00 0.00 H new ATOM 0 HA THR A 89 -11.555 20.762 2.171 1.00 0.00 H new ATOM 0 HB THR A 89 -13.313 19.027 1.924 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.476 19.769 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.817 19.829 3.708 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.118 20.231 4.051 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.227 21.488 3.454 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.497 19.228 -0.005 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.075 18.671 -1.285 1.00 0.00 C ATOM 1302 C TRP A 90 -11.693 17.295 -1.510 1.00 0.00 C ATOM 1303 O TRP A 90 -12.121 16.635 -0.564 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.550 18.573 -1.344 1.00 0.00 C ATOM 1305 CG TRP A 90 -9.022 18.346 -2.728 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.432 17.210 -3.204 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -9.036 19.278 -3.815 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.078 17.380 -4.521 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.438 18.640 -4.919 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.496 20.589 -3.963 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.289 19.270 -6.152 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -9.347 21.213 -5.187 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.749 20.554 -6.268 1.00 0.00 C ATOM 0 H TRP A 90 -11.383 18.597 0.788 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.421 19.338 -2.075 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.118 19.491 -0.944 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.220 17.758 -0.699 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.268 16.310 -2.630 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -7.621 16.681 -5.107 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.960 21.105 -3.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.827 18.764 -6.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.698 22.227 -5.312 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.649 21.069 -7.212 1.00 0.00 H new ATOM 1324 N SER A 91 -11.737 16.870 -2.768 1.00 0.00 N ATOM 1325 CA SER A 91 -12.307 15.573 -3.118 1.00 0.00 C ATOM 1326 C SER A 91 -11.222 14.616 -3.602 1.00 0.00 C ATOM 1327 O SER A 91 -10.390 14.973 -4.434 1.00 0.00 O ATOM 1328 CB SER A 91 -13.377 15.738 -4.198 1.00 0.00 C ATOM 1329 OG SER A 91 -12.811 16.206 -5.410 1.00 0.00 O ATOM 0 H SER A 91 -11.385 17.404 -3.562 1.00 0.00 H new ATOM 0 HA SER A 91 -12.766 15.151 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.875 14.784 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.139 16.438 -3.855 1.00 0.00 H new ATOM 0 HG SER A 91 -13.515 16.301 -6.085 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.239 13.397 -3.073 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.259 12.386 -3.452 1.00 0.00 C ATOM 1337 C ALA A 92 -10.703 10.997 -3.005 1.00 0.00 C ATOM 1338 O ALA A 92 -11.293 10.837 -1.936 1.00 0.00 O ATOM 1339 CB ALA A 92 -8.898 12.723 -2.861 1.00 0.00 C ATOM 0 H ALA A 92 -11.920 13.085 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.180 12.381 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.176 11.960 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.570 13.694 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.972 12.757 -1.774 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.415 9.996 -3.830 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.788 8.621 -3.521 1.00 0.00 C ATOM 1347 C TYR A 93 -9.597 7.682 -3.694 1.00 0.00 C ATOM 1348 O TYR A 93 -8.839 7.795 -4.658 1.00 0.00 O ATOM 1349 CB TYR A 93 -11.942 8.169 -4.417 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.427 6.768 -4.120 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -12.435 6.276 -2.820 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -12.876 5.936 -5.138 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.877 4.996 -2.544 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -13.321 4.656 -4.871 1.00 0.00 C ATOM 1355 CZ TYR A 93 -13.319 4.190 -3.572 1.00 0.00 C ATOM 1356 OH TYR A 93 -13.759 2.915 -3.302 1.00 0.00 O ATOM 0 H TYR A 93 -9.925 10.111 -4.717 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.110 8.584 -2.480 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.774 8.864 -4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.624 8.221 -5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.090 6.904 -2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.877 6.296 -6.156 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.876 4.629 -1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.669 4.023 -5.674 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.036 2.481 -4.136 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.441 6.756 -2.754 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.345 5.796 -2.803 1.00 0.00 C ATOM 1368 C ILE A 94 -8.868 4.364 -2.804 1.00 0.00 C ATOM 1369 O ILE A 94 -9.713 4.002 -1.986 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.383 5.979 -1.614 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.724 7.359 -1.671 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.329 4.883 -1.612 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.770 7.526 -2.833 1.00 0.00 C ATOM 0 H ILE A 94 -10.059 6.650 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.803 5.983 -3.730 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.955 5.908 -0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.501 8.121 -1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.184 7.534 -0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.657 5.026 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.815 3.911 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.758 4.925 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.340 8.528 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.972 6.787 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.309 7.384 -3.770 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.357 3.554 -3.726 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.773 2.160 -3.831 1.00 0.00 C ATOM 1387 C GLU A 95 -7.628 1.221 -3.463 1.00 0.00 C ATOM 1388 O GLU A 95 -6.472 1.469 -3.808 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.260 1.856 -5.250 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.459 0.374 -5.520 1.00 0.00 C ATOM 1391 CD GLU A 95 -10.439 0.114 -6.648 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -11.483 0.797 -6.696 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -10.161 -0.773 -7.483 1.00 0.00 O ATOM 0 H GLU A 95 -7.656 3.838 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.592 1.998 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.201 2.378 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.540 2.254 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.499 -0.079 -5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.818 -0.112 -4.613 1.00 0.00 H new ATOM 1400 N VAL A 96 -7.957 0.142 -2.761 1.00 0.00 N ATOM 1401 CA VAL A 96 -6.957 -0.835 -2.346 1.00 0.00 C ATOM 1402 C VAL A 96 -7.305 -2.228 -2.857 1.00 0.00 C ATOM 1403 O VAL A 96 -8.258 -2.850 -2.391 1.00 0.00 O ATOM 1404 CB VAL A 96 -6.821 -0.882 -0.812 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.794 -1.924 -0.399 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.450 0.489 -0.268 1.00 0.00 C ATOM 0 H VAL A 96 -8.909 -0.078 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.007 -0.519 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.784 -1.167 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.712 -1.943 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.107 -2.905 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.826 -1.672 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.358 0.437 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.500 0.806 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.226 1.208 -0.533 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.524 -2.711 -3.818 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.750 -4.032 -4.394 1.00 0.00 C ATOM 1418 C GLN A 97 -5.646 -5.001 -3.982 1.00 0.00 C ATOM 1419 O GLN A 97 -4.478 -4.623 -3.890 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.823 -3.941 -5.919 1.00 0.00 C ATOM 1421 CG GLN A 97 -8.203 -3.577 -6.441 1.00 0.00 C ATOM 1422 CD GLN A 97 -8.246 -3.467 -7.952 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -8.644 -4.405 -8.643 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -7.834 -2.318 -8.474 1.00 0.00 N ATOM 0 H GLN A 97 -5.730 -2.208 -4.214 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.700 -4.409 -4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.105 -3.198 -6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.523 -4.898 -6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.921 -4.330 -6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.514 -2.629 -6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.512 -1.567 -7.864 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.839 -2.186 -9.485 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.024 -6.251 -3.736 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.065 -7.273 -3.333 1.00 0.00 C ATOM 1435 C GLU A 98 -4.117 -7.612 -4.480 1.00 0.00 C ATOM 1436 O GLU A 98 -4.552 -7.903 -5.595 1.00 0.00 O ATOM 1437 CB GLU A 98 -5.796 -8.536 -2.872 1.00 0.00 C ATOM 1438 CG GLU A 98 -5.006 -9.365 -1.872 1.00 0.00 C ATOM 1439 CD GLU A 98 -5.346 -10.841 -1.942 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -6.323 -11.257 -1.285 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -4.634 -11.580 -2.654 1.00 0.00 O ATOM 0 H GLU A 98 -6.987 -6.580 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.478 -6.878 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.748 -8.252 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.024 -9.152 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.940 -9.232 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.203 -8.998 -0.865 1.00 0.00 H new ATOM 1448 N PHE A 99 -2.819 -7.571 -4.199 1.00 0.00 N ATOM 1449 CA PHE A 99 -1.808 -7.872 -5.206 1.00 0.00 C ATOM 1450 C PHE A 99 -0.419 -7.941 -4.579 1.00 0.00 C ATOM 1451 O PHE A 99 -0.197 -7.439 -3.478 1.00 0.00 O ATOM 1452 CB PHE A 99 -1.829 -6.814 -6.312 1.00 0.00 C ATOM 1453 CG PHE A 99 -0.534 -6.708 -7.064 1.00 0.00 C ATOM 1454 CD1 PHE A 99 0.522 -5.973 -6.551 1.00 0.00 C ATOM 1455 CD2 PHE A 99 -0.372 -7.344 -8.284 1.00 0.00 C ATOM 1456 CE1 PHE A 99 1.715 -5.873 -7.242 1.00 0.00 C ATOM 1457 CE2 PHE A 99 0.819 -7.248 -8.980 1.00 0.00 C ATOM 1458 CZ PHE A 99 1.864 -6.512 -8.457 1.00 0.00 C ATOM 0 H PHE A 99 -2.442 -7.332 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.040 -8.845 -5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.629 -7.049 -7.014 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.065 -5.845 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.412 -5.472 -5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.186 -7.922 -8.697 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.530 -5.295 -6.832 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.932 -7.748 -9.931 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.796 -6.436 -8.997 1.00 0.00 H new ATOM 1468 N GLY A 100 0.514 -8.568 -5.289 1.00 0.00 N ATOM 1469 CA GLY A 100 1.870 -8.692 -4.787 1.00 0.00 C ATOM 1470 C GLY A 100 1.917 -8.865 -3.281 1.00 0.00 C ATOM 1471 O GLY A 100 2.738 -8.247 -2.604 1.00 0.00 O ATOM 0 H GLY A 100 0.355 -8.992 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.354 -9.545 -5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 100 2.440 -7.806 -5.066 1.00 0.00 H new ATOM 1475 N VAL A 101 1.032 -9.706 -2.755 1.00 0.00 N ATOM 1476 CA VAL A 101 0.975 -9.957 -1.320 1.00 0.00 C ATOM 1477 C VAL A 101 1.540 -11.332 -0.981 1.00 0.00 C ATOM 1478 O VAL A 101 1.106 -12.356 -1.507 1.00 0.00 O ATOM 1479 CB VAL A 101 -0.468 -9.862 -0.790 1.00 0.00 C ATOM 1480 CG1 VAL A 101 -0.521 -10.231 0.684 1.00 0.00 C ATOM 1481 CG2 VAL A 101 -1.028 -8.466 -1.020 1.00 0.00 C ATOM 0 H VAL A 101 0.345 -10.225 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 101 1.581 -9.189 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.086 -10.572 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.548 -10.158 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.162 -11.252 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.110 -9.548 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.048 -8.416 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.410 -7.735 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.027 -8.245 -2.087 1.00 0.00 H new ATOM 1491 N PRO A 102 2.532 -11.357 -0.078 1.00 0.00 N ATOM 1492 CA PRO A 102 3.178 -12.600 0.354 1.00 0.00 C ATOM 1493 C PRO A 102 2.254 -13.470 1.200 1.00 0.00 C ATOM 1494 O PRO A 102 1.594 -12.982 2.117 1.00 0.00 O ATOM 1495 CB PRO A 102 4.365 -12.112 1.188 1.00 0.00 C ATOM 1496 CG PRO A 102 3.957 -10.765 1.675 1.00 0.00 C ATOM 1497 CD PRO A 102 3.100 -10.174 0.590 1.00 0.00 C ATOM 0 HA PRO A 102 3.463 -13.226 -0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 102 4.570 -12.788 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 102 5.274 -12.058 0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 102 3.404 -10.840 2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 102 4.828 -10.139 1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.321 -9.531 0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 102 3.686 -9.566 -0.099 1.00 0.00 H new ATOM 1505 N VAL A 103 2.212 -14.761 0.886 1.00 0.00 N ATOM 1506 CA VAL A 103 1.370 -15.699 1.619 1.00 0.00 C ATOM 1507 C VAL A 103 2.213 -16.698 2.402 1.00 0.00 C ATOM 1508 O VAL A 103 2.440 -17.821 1.952 1.00 0.00 O ATOM 1509 CB VAL A 103 0.430 -16.468 0.671 1.00 0.00 C ATOM 1510 CG1 VAL A 103 -0.408 -17.471 1.449 1.00 0.00 C ATOM 1511 CG2 VAL A 103 -0.457 -15.502 -0.099 1.00 0.00 C ATOM 0 H VAL A 103 2.751 -15.181 0.129 1.00 0.00 H new ATOM 0 HA VAL A 103 0.771 -15.111 2.314 1.00 0.00 H new ATOM 0 HB VAL A 103 1.037 -17.018 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.066 -18.005 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.248 -18.183 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.008 -16.945 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.114 -16.063 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.058 -14.922 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.165 -14.828 -0.688 1.00 0.00 H new ATOM 1521 N GLN A 104 2.675 -16.281 3.577 1.00 0.00 N ATOM 1522 CA GLN A 104 3.495 -17.141 4.423 1.00 0.00 C ATOM 1523 C GLN A 104 3.289 -16.809 5.898 1.00 0.00 C ATOM 1524 O GLN A 104 3.038 -15.663 6.272 1.00 0.00 O ATOM 1525 CB GLN A 104 4.972 -16.994 4.057 1.00 0.00 C ATOM 1526 CG GLN A 104 5.340 -17.652 2.737 1.00 0.00 C ATOM 1527 CD GLN A 104 6.794 -17.441 2.364 1.00 0.00 C ATOM 1528 OE1 GLN A 104 7.699 -17.828 3.105 1.00 0.00 O ATOM 1529 NE2 GLN A 104 7.027 -16.824 1.212 1.00 0.00 N ATOM 0 H GLN A 104 2.496 -15.355 3.964 1.00 0.00 H new ATOM 0 HA GLN A 104 3.188 -18.173 4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.222 -15.934 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.580 -17.428 4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.137 -18.721 2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.705 -17.252 1.947 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.247 -16.520 0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.986 -16.654 0.910 1.00 0.00 H new ATOM 1538 N PRO A 105 3.396 -17.833 6.756 1.00 0.00 N ATOM 1539 CA PRO A 105 3.226 -17.675 8.203 1.00 0.00 C ATOM 1540 C PRO A 105 4.370 -16.894 8.840 1.00 0.00 C ATOM 1541 O PRO A 105 5.394 -16.623 8.212 1.00 0.00 O ATOM 1542 CB PRO A 105 3.211 -19.116 8.719 1.00 0.00 C ATOM 1543 CG PRO A 105 3.973 -19.891 7.700 1.00 0.00 C ATOM 1544 CD PRO A 105 3.694 -19.226 6.380 1.00 0.00 C ATOM 0 HA PRO A 105 2.326 -17.111 8.447 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.677 -19.189 9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.192 -19.490 8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.040 -19.884 7.922 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.657 -20.934 7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.552 -19.287 5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.854 -19.692 5.865 1.00 0.00 H new ATOM 1552 N PRO A 106 4.196 -16.521 10.117 1.00 0.00 N ATOM 1553 CA PRO A 106 5.204 -15.767 10.866 1.00 0.00 C ATOM 1554 C PRO A 106 6.441 -16.602 11.176 1.00 0.00 C ATOM 1555 O PRO A 106 6.505 -17.784 10.837 1.00 0.00 O ATOM 1556 CB PRO A 106 4.476 -15.389 12.159 1.00 0.00 C ATOM 1557 CG PRO A 106 3.424 -16.430 12.319 1.00 0.00 C ATOM 1558 CD PRO A 106 3.000 -16.809 10.927 1.00 0.00 C ATOM 0 HA PRO A 106 5.574 -14.910 10.303 1.00 0.00 H new ATOM 0 HB2 PRO A 106 5.158 -15.381 13.009 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.040 -14.392 12.091 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.810 -17.295 12.858 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.580 -16.047 12.893 1.00 0.00 H new ATOM 0 HD2 PRO A 106 2.716 -17.860 10.865 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.140 -16.226 10.596 1.00 0.00 H new ATOM 1566 N ARG A 107 7.422 -15.981 11.823 1.00 0.00 N ATOM 1567 CA ARG A 107 8.658 -16.668 12.178 1.00 0.00 C ATOM 1568 C ARG A 107 8.370 -18.077 12.689 1.00 0.00 C ATOM 1569 O ARG A 107 7.384 -18.322 13.384 1.00 0.00 O ATOM 1570 CB ARG A 107 9.420 -15.875 13.242 1.00 0.00 C ATOM 1571 CG ARG A 107 9.039 -16.243 14.666 1.00 0.00 C ATOM 1572 CD ARG A 107 9.787 -15.392 15.681 1.00 0.00 C ATOM 1573 NE ARG A 107 9.233 -15.530 17.025 1.00 0.00 N ATOM 1574 CZ ARG A 107 9.925 -15.288 18.133 1.00 0.00 C ATOM 1575 NH1 ARG A 107 11.189 -14.897 18.057 1.00 0.00 N ATOM 1576 NH2 ARG A 107 9.351 -15.436 19.320 1.00 0.00 N ATOM 0 H ARG A 107 7.385 -15.003 12.112 1.00 0.00 H new ATOM 0 HA ARG A 107 9.272 -16.744 11.281 1.00 0.00 H new ATOM 0 HB2 ARG A 107 10.489 -16.038 13.108 1.00 0.00 H new ATOM 0 HB3 ARG A 107 9.238 -14.811 13.090 1.00 0.00 H new ATOM 0 HG2 ARG A 107 7.965 -16.113 14.802 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.257 -17.296 14.841 1.00 0.00 H new ATOM 0 HD2 ARG A 107 10.838 -15.680 15.691 1.00 0.00 H new ATOM 0 HD3 ARG A 107 9.746 -14.346 15.378 1.00 0.00 H new ATOM 0 HE ARG A 107 8.262 -15.828 17.118 1.00 0.00 H new ATOM 0 HH11 ARG A 107 11.633 -14.781 17.146 1.00 0.00 H new ATOM 0 HH12 ARG A 107 11.718 -14.712 18.909 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.378 -15.736 19.382 1.00 0.00 H new ATOM 0 HH22 ARG A 107 9.883 -15.250 20.170 1.00 0.00 H new ATOM 1590 N PRO A 108 9.250 -19.026 12.336 1.00 0.00 N ATOM 1591 CA PRO A 108 9.111 -20.426 12.748 1.00 0.00 C ATOM 1592 C PRO A 108 9.353 -20.618 14.241 1.00 0.00 C ATOM 1593 O PRO A 108 9.988 -19.786 14.890 1.00 0.00 O ATOM 1594 CB PRO A 108 10.191 -21.143 11.934 1.00 0.00 C ATOM 1595 CG PRO A 108 11.209 -20.094 11.648 1.00 0.00 C ATOM 1596 CD PRO A 108 10.448 -18.805 11.509 1.00 0.00 C ATOM 0 HA PRO A 108 8.104 -20.805 12.573 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.624 -21.972 12.494 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.782 -21.559 11.013 1.00 0.00 H new ATOM 0 HG2 PRO A 108 11.941 -20.030 12.454 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.759 -20.323 10.735 1.00 0.00 H new ATOM 0 HD2 PRO A 108 11.030 -17.954 11.864 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.188 -18.602 10.470 1.00 0.00 H new ATOM 1604 N THR A 109 8.844 -21.721 14.782 1.00 0.00 N ATOM 1605 CA THR A 109 9.005 -22.022 16.199 1.00 0.00 C ATOM 1606 C THR A 109 8.659 -23.477 16.494 1.00 0.00 C ATOM 1607 O THR A 109 7.533 -23.917 16.262 1.00 0.00 O ATOM 1608 CB THR A 109 8.122 -21.109 17.071 1.00 0.00 C ATOM 1609 OG1 THR A 109 8.309 -19.740 16.693 1.00 0.00 O ATOM 1610 CG2 THR A 109 8.454 -21.283 18.545 1.00 0.00 C ATOM 0 H THR A 109 8.317 -22.421 14.260 1.00 0.00 H new ATOM 0 HA THR A 109 10.052 -21.843 16.444 1.00 0.00 H new ATOM 0 HB THR A 109 7.081 -21.390 16.914 1.00 0.00 H new ATOM 0 HG1 THR A 109 9.235 -19.605 16.402 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.818 -20.628 19.141 1.00 0.00 H new ATOM 0 HG22 THR A 109 8.283 -22.319 18.837 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.500 -21.026 18.715 1.00 0.00 H new ATOM 1618 N ASP A 110 9.634 -24.219 17.008 1.00 0.00 N ATOM 1619 CA ASP A 110 9.432 -25.625 17.338 1.00 0.00 C ATOM 1620 C ASP A 110 9.368 -25.825 18.849 1.00 0.00 C ATOM 1621 O ASP A 110 10.340 -26.226 19.488 1.00 0.00 O ATOM 1622 CB ASP A 110 10.556 -26.476 16.745 1.00 0.00 C ATOM 1623 CG ASP A 110 11.915 -25.818 16.885 1.00 0.00 C ATOM 1624 OD1 ASP A 110 12.445 -25.786 18.015 1.00 0.00 O ATOM 1625 OD2 ASP A 110 12.449 -25.335 15.864 1.00 0.00 O ATOM 0 H ASP A 110 10.572 -23.870 17.205 1.00 0.00 H new ATOM 0 HA ASP A 110 8.482 -25.941 16.908 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.573 -27.447 17.240 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.351 -26.660 15.690 1.00 0.00 H new ATOM 1630 N PRO A 111 8.196 -25.539 19.434 1.00 0.00 N ATOM 1631 CA PRO A 111 7.976 -25.679 20.877 1.00 0.00 C ATOM 1632 C PRO A 111 7.953 -27.138 21.320 1.00 0.00 C ATOM 1633 O PRO A 111 7.747 -27.436 22.496 1.00 0.00 O ATOM 1634 CB PRO A 111 6.605 -25.033 21.092 1.00 0.00 C ATOM 1635 CG PRO A 111 5.916 -25.160 19.777 1.00 0.00 C ATOM 1636 CD PRO A 111 6.994 -25.056 18.733 1.00 0.00 C ATOM 0 HA PRO A 111 8.775 -25.218 21.458 1.00 0.00 H new ATOM 0 HB2 PRO A 111 6.048 -25.539 21.881 1.00 0.00 H new ATOM 0 HB3 PRO A 111 6.702 -23.989 21.389 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.391 -26.112 19.702 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.172 -24.374 19.649 1.00 0.00 H new ATOM 0 HD2 PRO A 111 6.767 -25.666 17.859 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.117 -24.031 18.384 1.00 0.00 H new ATOM 1644 N ASN A 112 8.166 -28.044 20.371 1.00 0.00 N ATOM 1645 CA ASN A 112 8.170 -29.472 20.665 1.00 0.00 C ATOM 1646 C ASN A 112 9.456 -30.126 20.170 1.00 0.00 C ATOM 1647 O ASN A 112 9.440 -31.248 19.661 1.00 0.00 O ATOM 1648 CB ASN A 112 6.959 -30.150 20.019 1.00 0.00 C ATOM 1649 CG ASN A 112 5.666 -29.406 20.293 1.00 0.00 C ATOM 1650 OD1 ASN A 112 5.186 -28.644 19.453 1.00 0.00 O ATOM 1651 ND2 ASN A 112 5.097 -29.623 21.472 1.00 0.00 N ATOM 0 H ASN A 112 8.338 -27.814 19.392 1.00 0.00 H new ATOM 0 HA ASN A 112 8.114 -29.595 21.747 1.00 0.00 H new ATOM 0 HB2 ASN A 112 7.115 -30.217 18.942 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.874 -31.170 20.393 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.226 -29.150 21.713 1.00 0.00 H new ATOM 0 HD22 ASN A 112 5.530 -30.263 22.137 1.00 0.00 H new ATOM 1658 N LEU A 113 10.570 -29.418 20.323 1.00 0.00 N ATOM 1659 CA LEU A 113 11.867 -29.930 19.892 1.00 0.00 C ATOM 1660 C LEU A 113 12.693 -30.394 21.087 1.00 0.00 C ATOM 1661 O LEU A 113 12.599 -29.828 22.176 1.00 0.00 O ATOM 1662 CB LEU A 113 12.629 -28.854 19.117 1.00 0.00 C ATOM 1663 CG LEU A 113 14.142 -28.812 19.338 1.00 0.00 C ATOM 1664 CD1 LEU A 113 14.857 -28.411 18.057 1.00 0.00 C ATOM 1665 CD2 LEU A 113 14.490 -27.854 20.468 1.00 0.00 C ATOM 0 H LEU A 113 10.601 -28.489 20.742 1.00 0.00 H new ATOM 0 HA LEU A 113 11.694 -30.786 19.239 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.441 -28.999 18.053 1.00 0.00 H new ATOM 0 HB3 LEU A 113 12.216 -27.881 19.384 1.00 0.00 H new ATOM 0 HG LEU A 113 14.477 -29.810 19.620 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.932 -28.386 18.233 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.634 -29.136 17.274 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.518 -27.423 17.745 1.00 0.00 H new ATOM 0 HD21 LEU A 113 15.570 -27.837 20.611 1.00 0.00 H new ATOM 0 HD22 LEU A 113 14.142 -26.852 20.216 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.008 -28.185 21.388 1.00 0.00 H new ATOM 1677 N ILE A 114 13.503 -31.425 20.875 1.00 0.00 N ATOM 1678 CA ILE A 114 14.349 -31.962 21.934 1.00 0.00 C ATOM 1679 C ILE A 114 15.738 -31.334 21.900 1.00 0.00 C ATOM 1680 O ILE A 114 16.337 -31.148 20.840 1.00 0.00 O ATOM 1681 CB ILE A 114 14.487 -33.492 21.822 1.00 0.00 C ATOM 1682 CG1 ILE A 114 14.457 -33.923 20.354 1.00 0.00 C ATOM 1683 CG2 ILE A 114 13.379 -34.182 22.605 1.00 0.00 C ATOM 1684 CD1 ILE A 114 15.005 -35.314 20.122 1.00 0.00 C ATOM 0 H ILE A 114 13.592 -31.906 19.980 1.00 0.00 H new ATOM 0 HA ILE A 114 13.865 -31.717 22.879 1.00 0.00 H new ATOM 0 HB ILE A 114 15.446 -33.788 22.248 1.00 0.00 H new ATOM 0 HG12 ILE A 114 13.430 -33.881 19.992 1.00 0.00 H new ATOM 0 HG13 ILE A 114 15.033 -33.211 19.763 1.00 0.00 H new ATOM 0 HG21 ILE A 114 13.490 -35.263 22.516 1.00 0.00 H new ATOM 0 HG22 ILE A 114 13.443 -33.895 23.655 1.00 0.00 H new ATOM 0 HG23 ILE A 114 12.410 -33.883 22.205 1.00 0.00 H new ATOM 0 HD11 ILE A 114 14.953 -35.553 19.060 1.00 0.00 H new ATOM 0 HD12 ILE A 114 16.043 -35.356 20.453 1.00 0.00 H new ATOM 0 HD13 ILE A 114 14.415 -36.036 20.686 1.00 0.00 H new ATOM 1696 N PRO A 115 16.266 -31.001 23.087 1.00 0.00 N ATOM 1697 CA PRO A 115 17.592 -30.391 23.221 1.00 0.00 C ATOM 1698 C PRO A 115 18.715 -31.366 22.885 1.00 0.00 C ATOM 1699 O PRO A 115 19.262 -32.026 23.769 1.00 0.00 O ATOM 1700 CB PRO A 115 17.652 -29.994 24.698 1.00 0.00 C ATOM 1701 CG PRO A 115 16.708 -30.923 25.379 1.00 0.00 C ATOM 1702 CD PRO A 115 15.608 -31.195 24.391 1.00 0.00 C ATOM 0 HA PRO A 115 17.727 -29.555 22.535 1.00 0.00 H new ATOM 0 HB2 PRO A 115 18.662 -30.096 25.094 1.00 0.00 H new ATOM 0 HB3 PRO A 115 17.357 -28.955 24.841 1.00 0.00 H new ATOM 0 HG2 PRO A 115 17.210 -31.846 25.668 1.00 0.00 H new ATOM 0 HG3 PRO A 115 16.312 -30.477 26.291 1.00 0.00 H new ATOM 0 HD2 PRO A 115 15.214 -32.206 24.496 1.00 0.00 H new ATOM 0 HD3 PRO A 115 14.770 -30.511 24.524 1.00 0.00 H new ATOM 1710 N SER A 116 19.054 -31.452 21.603 1.00 0.00 N ATOM 1711 CA SER A 116 20.111 -32.350 21.151 1.00 0.00 C ATOM 1712 C SER A 116 21.476 -31.676 21.250 1.00 0.00 C ATOM 1713 O SER A 116 22.014 -31.191 20.256 1.00 0.00 O ATOM 1714 CB SER A 116 19.851 -32.792 19.709 1.00 0.00 C ATOM 1715 OG SER A 116 19.899 -31.688 18.821 1.00 0.00 O ATOM 0 H SER A 116 18.613 -30.911 20.859 1.00 0.00 H new ATOM 0 HA SER A 116 20.111 -33.227 21.798 1.00 0.00 H new ATOM 0 HB2 SER A 116 20.593 -33.533 19.413 1.00 0.00 H new ATOM 0 HB3 SER A 116 18.875 -33.274 19.643 1.00 0.00 H new ATOM 0 HG SER A 116 20.702 -31.156 19.003 1.00 0.00 H new ATOM 1721 N ALA A 117 22.030 -31.651 22.458 1.00 0.00 N ATOM 1722 CA ALA A 117 23.332 -31.039 22.688 1.00 0.00 C ATOM 1723 C ALA A 117 24.016 -31.645 23.909 1.00 0.00 C ATOM 1724 O ALA A 117 23.407 -31.833 24.962 1.00 0.00 O ATOM 1725 CB ALA A 117 23.186 -29.533 22.857 1.00 0.00 C ATOM 0 H ALA A 117 21.597 -32.048 23.292 1.00 0.00 H new ATOM 0 HA ALA A 117 23.957 -31.237 21.817 1.00 0.00 H new ATOM 0 HB1 ALA A 117 24.167 -29.089 23.028 1.00 0.00 H new ATOM 0 HB2 ALA A 117 22.747 -29.106 21.955 1.00 0.00 H new ATOM 0 HB3 ALA A 117 22.539 -29.323 23.709 1.00 0.00 H new ATOM 1731 N PRO A 118 25.311 -31.962 23.766 1.00 0.00 N ATOM 1732 CA PRO A 118 26.106 -32.553 24.847 1.00 0.00 C ATOM 1733 C PRO A 118 26.370 -31.565 25.978 1.00 0.00 C ATOM 1734 O PRO A 118 27.059 -30.562 25.792 1.00 0.00 O ATOM 1735 CB PRO A 118 27.416 -32.937 24.155 1.00 0.00 C ATOM 1736 CG PRO A 118 27.514 -32.014 22.990 1.00 0.00 C ATOM 1737 CD PRO A 118 26.101 -31.766 22.538 1.00 0.00 C ATOM 0 HA PRO A 118 25.595 -33.393 25.317 1.00 0.00 H new ATOM 0 HB2 PRO A 118 28.267 -32.820 24.826 1.00 0.00 H new ATOM 0 HB3 PRO A 118 27.404 -33.979 23.835 1.00 0.00 H new ATOM 0 HG2 PRO A 118 28.003 -31.081 23.271 1.00 0.00 H new ATOM 0 HG3 PRO A 118 28.108 -32.457 22.190 1.00 0.00 H new ATOM 0 HD2 PRO A 118 25.978 -30.760 22.137 1.00 0.00 H new ATOM 0 HD3 PRO A 118 25.802 -32.461 21.753 1.00 0.00 H new TER 1745 PRO A 118