USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 932 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 88 SER OG : rot 180:sc= -1.07 USER MOD Set 1.2: A 91 ASN : amide:sc= -1.5 K(o=-2.6,f=-6.8!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0973 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0184 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 11 THR OG1 : rot -86:sc= -0.14 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00057 USER MOD Single : A 27 HIS : no HD1:sc= -0.336 X(o=-0.34,f=0.068) USER MOD Single : A 33 LYS NZ :NH3+ 143:sc= 0.371 (180deg=-0.367) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.5! C(o=-2.5!,f=-10!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -160:sc= -0.0585 (180deg=-0.694) USER MOD Single : A 52 SER OG : rot 32:sc= 0.294 USER MOD Single : A 59 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.6) USER MOD Single : A 70 MET CE :methyl 170:sc= -2.19! (180deg=-2.41!) USER MOD Single : A 80 ASN : amide:sc= -0.942 X(o=-0.94,f=-0.9) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0363 F(o=-0.54,f=-0.036) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.688 X(o=-0.69,f=-1.1) USER MOD Single : A 90 GLN : amide:sc= -0.0784 X(o=-0.078,f=-0.078) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -22:sc= 0.838 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 159:sc= -0.385 (180deg=-1.08) USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= -0.0105 (180deg=-0.526) USER MOD Single : A 110 ASN : amide:sc= -0.472 K(o=-0.47,f=-3.6) USER MOD Single : A 115 ASN : amide:sc= -7.19! C(o=-7.2!,f=-11!) USER MOD Single : A 116 GLN :FLIP amide:sc= -0.726 F(o=-1.6!,f=-0.73) USER MOD Single : A 117 MET CE :methyl -158:sc= -1.13 (180deg=-1.45) USER MOD Single : A 119 SER OG : rot 41:sc= 0.998 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.671 -29.756 23.110 1.00 0.00 N ATOM 2 CA GLY A 1 -7.296 -29.308 23.226 1.00 0.00 C ATOM 3 C GLY A 1 -7.105 -27.888 22.731 1.00 0.00 C ATOM 4 O GLY A 1 -8.075 -27.193 22.430 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.020 -30.052 24.044 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.260 -28.978 22.751 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.720 -30.560 22.452 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.983 -29.371 24.268 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.650 -29.977 22.658 1.00 0.00 H new ATOM 8 N SER A 2 -5.851 -27.455 22.648 1.00 0.00 N ATOM 9 CA SER A 2 -5.536 -26.107 22.192 1.00 0.00 C ATOM 10 C SER A 2 -4.141 -26.053 21.577 1.00 0.00 C ATOM 11 O SER A 2 -3.170 -26.520 22.173 1.00 0.00 O ATOM 12 CB SER A 2 -5.633 -25.116 23.354 1.00 0.00 C ATOM 13 OG SER A 2 -6.958 -25.040 23.850 1.00 0.00 O ATOM 0 H SER A 2 -5.036 -28.019 22.891 1.00 0.00 H new ATOM 0 HA SER A 2 -6.262 -25.831 21.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.959 -25.422 24.154 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.308 -24.130 23.023 1.00 0.00 H new ATOM 0 HG SER A 2 -6.993 -24.402 24.593 1.00 0.00 H new ATOM 19 N SER A 3 -4.049 -25.480 20.382 1.00 0.00 N ATOM 20 CA SER A 3 -2.774 -25.367 19.684 1.00 0.00 C ATOM 21 C SER A 3 -2.666 -24.028 18.961 1.00 0.00 C ATOM 22 O SER A 3 -3.636 -23.276 18.876 1.00 0.00 O ATOM 23 CB SER A 3 -2.613 -26.514 18.683 1.00 0.00 C ATOM 24 OG SER A 3 -1.253 -26.700 18.334 1.00 0.00 O ATOM 0 H SER A 3 -4.843 -25.086 19.876 1.00 0.00 H new ATOM 0 HA SER A 3 -1.977 -25.425 20.425 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.010 -27.434 19.112 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.196 -26.303 17.787 1.00 0.00 H new ATOM 0 HG SER A 3 -1.177 -27.439 17.695 1.00 0.00 H new ATOM 30 N GLY A 4 -1.477 -23.737 18.442 1.00 0.00 N ATOM 31 CA GLY A 4 -1.263 -22.488 17.734 1.00 0.00 C ATOM 32 C GLY A 4 0.195 -22.263 17.383 1.00 0.00 C ATOM 33 O GLY A 4 1.065 -22.317 18.253 1.00 0.00 O ATOM 0 H GLY A 4 -0.659 -24.343 18.499 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.858 -22.485 16.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.618 -21.660 18.348 1.00 0.00 H new ATOM 37 N SER A 5 0.463 -22.012 16.106 1.00 0.00 N ATOM 38 CA SER A 5 1.826 -21.784 15.642 1.00 0.00 C ATOM 39 C SER A 5 1.829 -21.118 14.269 1.00 0.00 C ATOM 40 O SER A 5 0.967 -21.392 13.433 1.00 0.00 O ATOM 41 CB SER A 5 2.595 -23.105 15.582 1.00 0.00 C ATOM 42 OG SER A 5 3.994 -22.883 15.622 1.00 0.00 O ATOM 0 H SER A 5 -0.246 -21.961 15.374 1.00 0.00 H new ATOM 0 HA SER A 5 2.317 -21.118 16.351 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.300 -23.739 16.418 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.334 -23.640 14.669 1.00 0.00 H new ATOM 0 HG SER A 5 4.463 -23.743 15.584 1.00 0.00 H new ATOM 48 N SER A 6 2.803 -20.243 14.044 1.00 0.00 N ATOM 49 CA SER A 6 2.916 -19.534 12.775 1.00 0.00 C ATOM 50 C SER A 6 1.621 -18.798 12.446 1.00 0.00 C ATOM 51 O SER A 6 1.148 -18.827 11.311 1.00 0.00 O ATOM 52 CB SER A 6 3.260 -20.512 11.650 1.00 0.00 C ATOM 53 OG SER A 6 4.628 -20.880 11.693 1.00 0.00 O ATOM 0 H SER A 6 3.526 -20.008 14.724 1.00 0.00 H new ATOM 0 HA SER A 6 3.717 -18.800 12.867 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.638 -21.403 11.736 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.033 -20.056 10.686 1.00 0.00 H new ATOM 0 HG SER A 6 4.821 -21.507 10.965 1.00 0.00 H new ATOM 59 N GLY A 7 1.052 -18.137 13.450 1.00 0.00 N ATOM 60 CA GLY A 7 -0.183 -17.402 13.249 1.00 0.00 C ATOM 61 C GLY A 7 -0.022 -15.917 13.505 1.00 0.00 C ATOM 62 O GLY A 7 -0.742 -15.099 12.932 1.00 0.00 O ATOM 0 H GLY A 7 1.424 -18.098 14.399 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.532 -17.556 12.228 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.951 -17.801 13.912 1.00 0.00 H new ATOM 66 N ASP A 8 0.923 -15.567 14.371 1.00 0.00 N ATOM 67 CA ASP A 8 1.176 -14.169 14.703 1.00 0.00 C ATOM 68 C ASP A 8 2.207 -13.563 13.755 1.00 0.00 C ATOM 69 O ASP A 8 2.827 -12.547 14.066 1.00 0.00 O ATOM 70 CB ASP A 8 1.659 -14.046 16.149 1.00 0.00 C ATOM 71 CG ASP A 8 0.949 -15.008 17.081 1.00 0.00 C ATOM 72 OD1 ASP A 8 -0.285 -14.886 17.232 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.627 -15.884 17.658 1.00 0.00 O ATOM 0 H ASP A 8 1.526 -16.232 14.856 1.00 0.00 H new ATOM 0 HA ASP A 8 0.241 -13.620 14.593 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.732 -14.233 16.188 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.501 -13.025 16.496 1.00 0.00 H new ATOM 78 N ALA A 9 2.384 -14.195 12.600 1.00 0.00 N ATOM 79 CA ALA A 9 3.339 -13.718 11.607 1.00 0.00 C ATOM 80 C ALA A 9 2.852 -12.430 10.952 1.00 0.00 C ATOM 81 O ALA A 9 3.521 -11.873 10.081 1.00 0.00 O ATOM 82 CB ALA A 9 3.584 -14.788 10.553 1.00 0.00 C ATOM 0 H ALA A 9 1.879 -15.038 12.328 1.00 0.00 H new ATOM 0 HA ALA A 9 4.278 -13.504 12.116 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.299 -14.418 9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.984 -15.683 11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.645 -15.030 10.055 1.00 0.00 H new ATOM 88 N PHE A 10 1.684 -11.961 11.377 1.00 0.00 N ATOM 89 CA PHE A 10 1.106 -10.738 10.830 1.00 0.00 C ATOM 90 C PHE A 10 1.195 -9.597 11.839 1.00 0.00 C ATOM 91 O PHE A 10 0.500 -8.587 11.715 1.00 0.00 O ATOM 92 CB PHE A 10 -0.353 -10.971 10.433 1.00 0.00 C ATOM 93 CG PHE A 10 -0.510 -11.672 9.114 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.480 -13.055 9.041 1.00 0.00 C ATOM 95 CD2 PHE A 10 -0.688 -10.947 7.946 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.625 -13.703 7.829 1.00 0.00 C ATOM 97 CE2 PHE A 10 -0.834 -11.590 6.731 1.00 0.00 C ATOM 98 CZ PHE A 10 -0.801 -12.969 6.672 1.00 0.00 C ATOM 0 H PHE A 10 1.119 -12.409 12.098 1.00 0.00 H new ATOM 0 HA PHE A 10 1.676 -10.461 9.943 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.843 -11.559 11.209 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.867 -10.011 10.389 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.342 -13.634 9.942 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.713 -9.868 7.986 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.601 -14.782 7.786 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.974 -11.014 5.828 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.913 -13.473 5.723 1.00 0.00 H new ATOM 108 N THR A 11 2.054 -9.764 12.840 1.00 0.00 N ATOM 109 CA THR A 11 2.233 -8.750 13.871 1.00 0.00 C ATOM 110 C THR A 11 3.193 -7.660 13.410 1.00 0.00 C ATOM 111 O THR A 11 4.141 -7.927 12.671 1.00 0.00 O ATOM 112 CB THR A 11 2.763 -9.367 15.179 1.00 0.00 C ATOM 113 OG1 THR A 11 4.044 -9.967 14.953 1.00 0.00 O ATOM 114 CG2 THR A 11 1.796 -10.411 15.717 1.00 0.00 C ATOM 0 H THR A 11 2.637 -10.593 12.958 1.00 0.00 H new ATOM 0 HA THR A 11 1.253 -8.311 14.056 1.00 0.00 H new ATOM 0 HB THR A 11 2.860 -8.571 15.917 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.923 -10.886 14.635 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.192 -10.832 16.641 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.831 -9.945 15.915 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.671 -11.205 14.981 1.00 0.00 H new ATOM 122 N ASP A 12 2.942 -6.433 13.851 1.00 0.00 N ATOM 123 CA ASP A 12 3.787 -5.301 13.485 1.00 0.00 C ATOM 124 C ASP A 12 5.263 -5.675 13.570 1.00 0.00 C ATOM 125 O ASP A 12 6.036 -5.404 12.651 1.00 0.00 O ATOM 126 CB ASP A 12 3.497 -4.106 14.394 1.00 0.00 C ATOM 127 CG ASP A 12 3.044 -4.527 15.778 1.00 0.00 C ATOM 128 OD1 ASP A 12 3.916 -4.791 16.632 1.00 0.00 O ATOM 129 OD2 ASP A 12 1.818 -4.594 16.007 1.00 0.00 O ATOM 0 H ASP A 12 2.161 -6.196 14.462 1.00 0.00 H new ATOM 0 HA ASP A 12 3.559 -5.027 12.455 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.394 -3.492 14.480 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.728 -3.484 13.937 1.00 0.00 H new ATOM 134 N GLN A 13 5.648 -6.298 14.680 1.00 0.00 N ATOM 135 CA GLN A 13 7.032 -6.707 14.886 1.00 0.00 C ATOM 136 C GLN A 13 7.513 -7.594 13.742 1.00 0.00 C ATOM 137 O GLN A 13 8.661 -7.496 13.307 1.00 0.00 O ATOM 138 CB GLN A 13 7.175 -7.448 16.216 1.00 0.00 C ATOM 139 CG GLN A 13 6.221 -8.623 16.363 1.00 0.00 C ATOM 140 CD GLN A 13 6.367 -9.330 17.697 1.00 0.00 C ATOM 141 OE1 GLN A 13 5.581 -9.109 18.618 1.00 0.00 O ATOM 142 NE2 GLN A 13 7.377 -10.185 17.807 1.00 0.00 N ATOM 0 H GLN A 13 5.021 -6.530 15.450 1.00 0.00 H new ATOM 0 HA GLN A 13 7.650 -5.809 14.911 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.199 -7.808 16.314 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.004 -6.747 17.033 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.196 -8.270 16.254 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.400 -9.335 15.557 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.004 -10.337 17.017 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.525 -10.689 18.681 1.00 0.00 H new ATOM 151 N LYS A 14 6.629 -8.460 13.259 1.00 0.00 N ATOM 152 CA LYS A 14 6.962 -9.364 12.165 1.00 0.00 C ATOM 153 C LYS A 14 6.965 -8.626 10.830 1.00 0.00 C ATOM 154 O LYS A 14 7.805 -8.887 9.968 1.00 0.00 O ATOM 155 CB LYS A 14 5.966 -10.525 12.115 1.00 0.00 C ATOM 156 CG LYS A 14 6.374 -11.714 12.968 1.00 0.00 C ATOM 157 CD LYS A 14 7.228 -12.696 12.184 1.00 0.00 C ATOM 158 CE LYS A 14 8.706 -12.353 12.284 1.00 0.00 C ATOM 159 NZ LYS A 14 9.565 -13.427 11.713 1.00 0.00 N ATOM 0 H LYS A 14 5.675 -8.555 13.608 1.00 0.00 H new ATOM 0 HA LYS A 14 7.962 -9.758 12.344 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.990 -10.170 12.445 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.853 -10.852 11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.927 -11.365 13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.483 -12.220 13.338 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.061 -13.705 12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.922 -12.691 11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.898 -11.417 11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.972 -12.193 13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.565 -13.155 11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.401 -14.314 12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.330 -13.563 10.709 1.00 0.00 H new ATOM 173 N ILE A 15 6.024 -7.702 10.668 1.00 0.00 N ATOM 174 CA ILE A 15 5.921 -6.924 9.439 1.00 0.00 C ATOM 175 C ILE A 15 7.179 -6.094 9.208 1.00 0.00 C ATOM 176 O ILE A 15 7.794 -6.163 8.143 1.00 0.00 O ATOM 177 CB ILE A 15 4.699 -5.988 9.466 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.423 -6.787 9.739 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.585 -5.229 8.153 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.226 -5.921 10.063 1.00 0.00 C ATOM 0 H ILE A 15 5.322 -7.474 11.372 1.00 0.00 H new ATOM 0 HA ILE A 15 5.804 -7.637 8.623 1.00 0.00 H new ATOM 0 HB ILE A 15 4.831 -5.265 10.271 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.193 -7.399 8.867 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.602 -7.470 10.569 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.716 -4.571 8.187 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.485 -4.634 7.997 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.472 -5.937 7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.358 -6.554 10.245 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.436 -5.328 10.953 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.021 -5.256 9.224 1.00 0.00 H new ATOM 192 N ARG A 16 7.557 -5.310 10.212 1.00 0.00 N ATOM 193 CA ARG A 16 8.742 -4.466 10.118 1.00 0.00 C ATOM 194 C ARG A 16 9.993 -5.309 9.889 1.00 0.00 C ATOM 195 O ARG A 16 10.813 -4.996 9.026 1.00 0.00 O ATOM 196 CB ARG A 16 8.903 -3.632 11.391 1.00 0.00 C ATOM 197 CG ARG A 16 9.132 -4.467 12.641 1.00 0.00 C ATOM 198 CD ARG A 16 9.195 -3.598 13.887 1.00 0.00 C ATOM 199 NE ARG A 16 9.751 -4.318 15.029 1.00 0.00 N ATOM 200 CZ ARG A 16 9.830 -3.807 16.253 1.00 0.00 C ATOM 201 NH1 ARG A 16 9.390 -2.579 16.492 1.00 0.00 N ATOM 202 NH2 ARG A 16 10.350 -4.524 17.241 1.00 0.00 N ATOM 0 H ARG A 16 7.060 -5.242 11.100 1.00 0.00 H new ATOM 0 HA ARG A 16 8.614 -3.797 9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.741 -2.947 11.263 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.011 -3.021 11.531 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.329 -5.196 12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.061 -5.028 12.540 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.803 -2.716 13.684 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.194 -3.245 14.134 1.00 0.00 H new ATOM 0 HE ARG A 16 10.098 -5.265 14.879 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.990 -2.024 15.735 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.452 -2.189 17.433 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.690 -5.469 17.061 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.410 -4.130 18.180 1.00 0.00 H new ATOM 216 N GLN A 17 10.131 -6.378 10.667 1.00 0.00 N ATOM 217 CA GLN A 17 11.283 -7.264 10.548 1.00 0.00 C ATOM 218 C GLN A 17 11.270 -7.998 9.211 1.00 0.00 C ATOM 219 O GLN A 17 12.321 -8.296 8.646 1.00 0.00 O ATOM 220 CB GLN A 17 11.296 -8.274 11.698 1.00 0.00 C ATOM 221 CG GLN A 17 12.044 -7.786 12.928 1.00 0.00 C ATOM 222 CD GLN A 17 12.619 -8.922 13.750 1.00 0.00 C ATOM 223 OE1 GLN A 17 11.906 -9.852 14.130 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.915 -8.854 14.030 1.00 0.00 N ATOM 0 H GLN A 17 9.460 -6.651 11.385 1.00 0.00 H new ATOM 0 HA GLN A 17 12.185 -6.655 10.598 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.269 -8.508 11.977 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.751 -9.202 11.351 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.851 -7.122 12.618 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.369 -7.198 13.550 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.468 -8.065 13.695 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.357 -9.590 14.580 1.00 0.00 H new ATOM 233 N ARG A 18 10.072 -8.287 8.712 1.00 0.00 N ATOM 234 CA ARG A 18 9.922 -8.987 7.442 1.00 0.00 C ATOM 235 C ARG A 18 10.415 -8.124 6.284 1.00 0.00 C ATOM 236 O ARG A 18 11.188 -8.580 5.442 1.00 0.00 O ATOM 237 CB ARG A 18 8.459 -9.374 7.218 1.00 0.00 C ATOM 238 CG ARG A 18 8.156 -9.811 5.795 1.00 0.00 C ATOM 239 CD ARG A 18 6.675 -10.099 5.604 1.00 0.00 C ATOM 240 NE ARG A 18 6.441 -11.095 4.562 1.00 0.00 N ATOM 241 CZ ARG A 18 6.847 -12.357 4.647 1.00 0.00 C ATOM 242 NH1 ARG A 18 7.503 -12.775 5.720 1.00 0.00 N ATOM 243 NH2 ARG A 18 6.596 -13.204 3.657 1.00 0.00 N ATOM 0 H ARG A 18 9.192 -8.047 9.168 1.00 0.00 H new ATOM 0 HA ARG A 18 10.528 -9.892 7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.197 -10.182 7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.824 -8.525 7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.469 -9.032 5.100 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.735 -10.703 5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.250 -10.451 6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.157 -9.176 5.346 1.00 0.00 H new ATOM 0 HE ARG A 18 5.938 -10.806 3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.697 -12.127 6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.813 -13.745 5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.091 -12.886 2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.908 -14.173 3.723 1.00 0.00 H new ATOM 257 N TYR A 19 9.961 -6.876 6.249 1.00 0.00 N ATOM 258 CA TYR A 19 10.352 -5.950 5.192 1.00 0.00 C ATOM 259 C TYR A 19 11.451 -5.008 5.674 1.00 0.00 C ATOM 260 O TYR A 19 11.745 -4.000 5.032 1.00 0.00 O ATOM 261 CB TYR A 19 9.143 -5.143 4.719 1.00 0.00 C ATOM 262 CG TYR A 19 8.040 -5.993 4.129 1.00 0.00 C ATOM 263 CD1 TYR A 19 8.176 -6.566 2.871 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.863 -6.223 4.831 1.00 0.00 C ATOM 265 CE1 TYR A 19 7.171 -7.343 2.328 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.854 -7.000 4.296 1.00 0.00 C ATOM 267 CZ TYR A 19 6.012 -7.557 3.044 1.00 0.00 C ATOM 268 OH TYR A 19 5.009 -8.331 2.507 1.00 0.00 O ATOM 0 H TYR A 19 9.322 -6.482 6.940 1.00 0.00 H new ATOM 0 HA TYR A 19 10.739 -6.533 4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.743 -4.577 5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.470 -4.418 3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.083 -6.401 2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.735 -5.787 5.811 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.292 -7.780 1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.946 -7.171 4.855 1.00 0.00 H new ATOM 0 HH TYR A 19 4.262 -8.383 3.139 1.00 0.00 H new ATOM 278 N ALA A 20 12.054 -5.344 6.809 1.00 0.00 N ATOM 279 CA ALA A 20 13.122 -4.530 7.377 1.00 0.00 C ATOM 280 C ALA A 20 14.339 -4.503 6.459 1.00 0.00 C ATOM 281 O ALA A 20 15.235 -3.675 6.624 1.00 0.00 O ATOM 282 CB ALA A 20 13.508 -5.052 8.753 1.00 0.00 C ATOM 0 H ALA A 20 11.821 -6.174 7.354 1.00 0.00 H new ATOM 0 HA ALA A 20 12.753 -3.509 7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.306 -4.435 9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.642 -5.013 9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.853 -6.082 8.668 1.00 0.00 H new ATOM 288 N ASP A 21 14.366 -5.414 5.492 1.00 0.00 N ATOM 289 CA ASP A 21 15.473 -5.495 4.547 1.00 0.00 C ATOM 290 C ASP A 21 15.339 -4.432 3.461 1.00 0.00 C ATOM 291 O ASP A 21 16.333 -3.994 2.880 1.00 0.00 O ATOM 292 CB ASP A 21 15.530 -6.885 3.913 1.00 0.00 C ATOM 293 CG ASP A 21 15.253 -7.990 4.914 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.073 -8.183 5.273 1.00 0.00 O ATOM 295 OD2 ASP A 21 16.217 -8.662 5.336 1.00 0.00 O ATOM 0 H ASP A 21 13.633 -6.107 5.342 1.00 0.00 H new ATOM 0 HA ASP A 21 16.399 -5.316 5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.803 -6.942 3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.514 -7.039 3.469 1.00 0.00 H new ATOM 300 N LEU A 22 14.105 -4.021 3.192 1.00 0.00 N ATOM 301 CA LEU A 22 13.840 -3.010 2.174 1.00 0.00 C ATOM 302 C LEU A 22 14.649 -1.744 2.441 1.00 0.00 C ATOM 303 O LEU A 22 14.983 -1.421 3.581 1.00 0.00 O ATOM 304 CB LEU A 22 12.348 -2.676 2.135 1.00 0.00 C ATOM 305 CG LEU A 22 11.400 -3.862 1.953 1.00 0.00 C ATOM 306 CD1 LEU A 22 9.980 -3.377 1.705 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.869 -4.750 0.810 1.00 0.00 C ATOM 0 H LEU A 22 13.272 -4.372 3.664 1.00 0.00 H new ATOM 0 HA LEU A 22 14.141 -3.415 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.086 -2.166 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.175 -1.970 1.323 1.00 0.00 H new ATOM 0 HG LEU A 22 11.406 -4.451 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.320 -4.235 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.644 -2.784 2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.957 -2.765 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.182 -5.589 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.893 -4.172 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.868 -5.127 1.028 1.00 0.00 H new ATOM 319 N PRO A 23 14.970 -1.009 1.366 1.00 0.00 N ATOM 320 CA PRO A 23 15.740 0.234 1.459 1.00 0.00 C ATOM 321 C PRO A 23 14.947 1.360 2.114 1.00 0.00 C ATOM 322 O PRO A 23 15.431 2.019 3.034 1.00 0.00 O ATOM 323 CB PRO A 23 16.043 0.574 -0.002 1.00 0.00 C ATOM 324 CG PRO A 23 14.953 -0.082 -0.777 1.00 0.00 C ATOM 325 CD PRO A 23 14.604 -1.335 -0.023 1.00 0.00 C ATOM 0 HA PRO A 23 16.630 0.116 2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.051 1.652 -0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 23 17.022 0.200 -0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.087 0.574 -0.865 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.280 -0.315 -1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.545 -1.577 -0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.160 -2.196 -0.394 1.00 0.00 H new ATOM 333 N GLY A 24 13.726 1.575 1.635 1.00 0.00 N ATOM 334 CA GLY A 24 12.886 2.622 2.186 1.00 0.00 C ATOM 335 C GLY A 24 12.518 2.367 3.635 1.00 0.00 C ATOM 336 O GLY A 24 12.974 1.395 4.235 1.00 0.00 O ATOM 0 H GLY A 24 13.303 1.042 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.404 3.578 2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.976 2.704 1.592 1.00 0.00 H new ATOM 340 N GLU A 25 11.691 3.243 4.197 1.00 0.00 N ATOM 341 CA GLU A 25 11.265 3.109 5.585 1.00 0.00 C ATOM 342 C GLU A 25 9.804 2.676 5.665 1.00 0.00 C ATOM 343 O GLU A 25 8.919 3.327 5.107 1.00 0.00 O ATOM 344 CB GLU A 25 11.459 4.430 6.331 1.00 0.00 C ATOM 345 CG GLU A 25 11.737 4.256 7.815 1.00 0.00 C ATOM 346 CD GLU A 25 12.482 5.434 8.411 1.00 0.00 C ATOM 347 OE1 GLU A 25 13.696 5.563 8.149 1.00 0.00 O ATOM 348 OE2 GLU A 25 11.850 6.227 9.140 1.00 0.00 O ATOM 0 H GLU A 25 11.303 4.053 3.713 1.00 0.00 H new ATOM 0 HA GLU A 25 11.880 2.342 6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.286 4.976 5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.566 5.042 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.794 4.122 8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.320 3.348 7.968 1.00 0.00 H new ATOM 355 N LEU A 26 9.557 1.573 6.363 1.00 0.00 N ATOM 356 CA LEU A 26 8.204 1.051 6.518 1.00 0.00 C ATOM 357 C LEU A 26 7.316 2.050 7.252 1.00 0.00 C ATOM 358 O LEU A 26 7.695 2.584 8.295 1.00 0.00 O ATOM 359 CB LEU A 26 8.231 -0.277 7.275 1.00 0.00 C ATOM 360 CG LEU A 26 7.008 -1.177 7.097 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.101 -1.952 5.791 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.870 -2.130 8.276 1.00 0.00 C ATOM 0 H LEU A 26 10.277 1.022 6.831 1.00 0.00 H new ATOM 0 HA LEU A 26 7.789 0.886 5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.115 -0.833 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.349 -0.064 8.337 1.00 0.00 H new ATOM 0 HG LEU A 26 6.120 -0.547 7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.222 -2.587 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.150 -1.253 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.998 -2.572 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.994 -2.763 8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.761 -2.754 8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.756 -1.557 9.196 1.00 0.00 H new ATOM 374 N HIS A 27 6.131 2.297 6.702 1.00 0.00 N ATOM 375 CA HIS A 27 5.187 3.230 7.307 1.00 0.00 C ATOM 376 C HIS A 27 3.780 2.639 7.334 1.00 0.00 C ATOM 377 O HIS A 27 3.122 2.533 6.299 1.00 0.00 O ATOM 378 CB HIS A 27 5.182 4.553 6.540 1.00 0.00 C ATOM 379 CG HIS A 27 6.170 5.551 7.061 1.00 0.00 C ATOM 380 ND1 HIS A 27 5.801 6.672 7.775 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.520 5.591 6.971 1.00 0.00 C ATOM 382 CE1 HIS A 27 6.882 7.359 8.099 1.00 0.00 C ATOM 383 NE2 HIS A 27 7.938 6.725 7.623 1.00 0.00 N ATOM 0 H HIS A 27 5.802 1.864 5.839 1.00 0.00 H new ATOM 0 HA HIS A 27 5.504 3.415 8.333 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.397 4.355 5.490 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.183 4.986 6.585 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.151 4.866 6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.899 8.283 8.658 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.907 7.028 7.723 1.00 0.00 H new ATOM 392 N ILE A 28 3.327 2.256 8.523 1.00 0.00 N ATOM 393 CA ILE A 28 2.000 1.677 8.683 1.00 0.00 C ATOM 394 C ILE A 28 1.007 2.712 9.202 1.00 0.00 C ATOM 395 O ILE A 28 1.074 3.124 10.361 1.00 0.00 O ATOM 396 CB ILE A 28 2.023 0.476 9.647 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.975 -0.604 9.128 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.621 -0.088 9.824 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.495 -1.522 10.212 1.00 0.00 C ATOM 0 H ILE A 28 3.860 2.336 9.389 1.00 0.00 H new ATOM 0 HA ILE A 28 1.684 1.336 7.697 1.00 0.00 H new ATOM 0 HB ILE A 28 2.383 0.815 10.618 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.460 -1.200 8.375 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.820 -0.125 8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.654 -0.936 10.508 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.032 0.683 10.233 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.236 -0.415 8.858 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.163 -2.262 9.772 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.039 -0.937 10.954 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.658 -2.029 10.692 1.00 0.00 H new ATOM 411 N ILE A 29 0.087 3.126 8.338 1.00 0.00 N ATOM 412 CA ILE A 29 -0.922 4.110 8.710 1.00 0.00 C ATOM 413 C ILE A 29 -2.329 3.545 8.548 1.00 0.00 C ATOM 414 O ILE A 29 -2.603 2.798 7.609 1.00 0.00 O ATOM 415 CB ILE A 29 -0.795 5.392 7.867 1.00 0.00 C ATOM 416 CG1 ILE A 29 -1.165 5.109 6.410 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.617 5.951 7.962 1.00 0.00 C ATOM 418 CD1 ILE A 29 -1.357 6.359 5.581 1.00 0.00 C ATOM 0 H ILE A 29 0.019 2.795 7.375 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.751 4.355 9.758 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.487 6.137 8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.383 4.499 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.083 4.521 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.691 6.857 7.361 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.846 6.186 9.001 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.327 5.211 7.592 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.617 6.082 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.159 6.960 6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.433 6.937 5.576 1.00 0.00 H new ATOM 430 N GLU A 30 -3.217 3.907 9.468 1.00 0.00 N ATOM 431 CA GLU A 30 -4.596 3.436 9.425 1.00 0.00 C ATOM 432 C GLU A 30 -5.498 4.457 8.737 1.00 0.00 C ATOM 433 O GLU A 30 -5.696 5.565 9.238 1.00 0.00 O ATOM 434 CB GLU A 30 -5.108 3.159 10.840 1.00 0.00 C ATOM 435 CG GLU A 30 -4.805 1.753 11.332 1.00 0.00 C ATOM 436 CD GLU A 30 -4.677 1.679 12.841 1.00 0.00 C ATOM 437 OE1 GLU A 30 -5.336 2.484 13.532 1.00 0.00 O ATOM 438 OE2 GLU A 30 -3.919 0.816 13.331 1.00 0.00 O ATOM 0 H GLU A 30 -3.006 4.525 10.252 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.619 2.510 8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.662 3.879 11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.186 3.320 10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.597 1.079 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.879 1.404 10.875 1.00 0.00 H new ATOM 445 N LEU A 31 -6.042 4.076 7.587 1.00 0.00 N ATOM 446 CA LEU A 31 -6.924 4.957 6.828 1.00 0.00 C ATOM 447 C LEU A 31 -8.365 4.460 6.879 1.00 0.00 C ATOM 448 O LEU A 31 -8.626 3.268 6.724 1.00 0.00 O ATOM 449 CB LEU A 31 -6.455 5.051 5.375 1.00 0.00 C ATOM 450 CG LEU A 31 -5.017 5.526 5.163 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.693 5.601 3.679 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.798 6.877 5.828 1.00 0.00 C ATOM 0 H LEU A 31 -5.888 3.163 7.159 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.885 5.948 7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.563 4.069 4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.122 5.728 4.842 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.344 4.803 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.666 5.941 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.809 4.614 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.372 6.302 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.769 7.199 5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.480 7.610 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.988 6.791 6.898 1.00 0.00 H new ATOM 464 N GLU A 32 -9.297 5.384 7.095 1.00 0.00 N ATOM 465 CA GLU A 32 -10.712 5.038 7.164 1.00 0.00 C ATOM 466 C GLU A 32 -11.386 5.235 5.809 1.00 0.00 C ATOM 467 O GLU A 32 -11.334 6.320 5.228 1.00 0.00 O ATOM 468 CB GLU A 32 -11.415 5.887 8.225 1.00 0.00 C ATOM 469 CG GLU A 32 -12.595 5.189 8.879 1.00 0.00 C ATOM 470 CD GLU A 32 -13.428 6.126 9.732 1.00 0.00 C ATOM 471 OE1 GLU A 32 -13.058 6.351 10.903 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.452 6.634 9.227 1.00 0.00 O ATOM 0 H GLU A 32 -9.098 6.376 7.225 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.791 3.986 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.694 6.162 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.760 6.814 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.226 4.750 8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.230 4.369 9.497 1.00 0.00 H new ATOM 479 N LYS A 33 -12.020 4.179 5.312 1.00 0.00 N ATOM 480 CA LYS A 33 -12.707 4.233 4.026 1.00 0.00 C ATOM 481 C LYS A 33 -13.760 5.337 4.018 1.00 0.00 C ATOM 482 O LYS A 33 -14.777 5.242 4.706 1.00 0.00 O ATOM 483 CB LYS A 33 -13.363 2.886 3.718 1.00 0.00 C ATOM 484 CG LYS A 33 -12.376 1.812 3.292 1.00 0.00 C ATOM 485 CD LYS A 33 -13.015 0.812 2.344 1.00 0.00 C ATOM 486 CE LYS A 33 -13.662 -0.338 3.101 1.00 0.00 C ATOM 487 NZ LYS A 33 -14.674 -1.049 2.271 1.00 0.00 N ATOM 0 H LYS A 33 -12.073 3.274 5.780 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.968 4.454 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.901 2.543 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.101 3.023 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.518 2.277 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.001 1.291 4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.765 1.315 1.734 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.260 0.421 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.893 -1.042 3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.137 0.044 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.636 -2.068 2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.623 -0.686 2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.470 -0.890 1.264 1.00 0.00 H new ATOM 501 N ASP A 34 -13.510 6.381 3.236 1.00 0.00 N ATOM 502 CA ASP A 34 -14.438 7.502 3.137 1.00 0.00 C ATOM 503 C ASP A 34 -15.663 7.121 2.311 1.00 0.00 C ATOM 504 O ASP A 34 -15.784 5.987 1.846 1.00 0.00 O ATOM 505 CB ASP A 34 -13.743 8.713 2.512 1.00 0.00 C ATOM 506 CG ASP A 34 -12.930 9.498 3.523 1.00 0.00 C ATOM 507 OD1 ASP A 34 -13.049 9.211 4.732 1.00 0.00 O ATOM 508 OD2 ASP A 34 -12.175 10.400 3.103 1.00 0.00 O ATOM 0 H ASP A 34 -12.673 6.475 2.661 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.766 7.761 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.090 8.378 1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.491 9.367 2.065 1.00 0.00 H new ATOM 513 N LYS A 35 -16.570 8.075 2.134 1.00 0.00 N ATOM 514 CA LYS A 35 -17.787 7.841 1.364 1.00 0.00 C ATOM 515 C LYS A 35 -17.510 6.931 0.172 1.00 0.00 C ATOM 516 O LYS A 35 -18.327 6.078 -0.172 1.00 0.00 O ATOM 517 CB LYS A 35 -18.372 9.170 0.881 1.00 0.00 C ATOM 518 CG LYS A 35 -19.756 9.038 0.268 1.00 0.00 C ATOM 519 CD LYS A 35 -20.454 10.384 0.173 1.00 0.00 C ATOM 520 CE LYS A 35 -21.485 10.399 -0.945 1.00 0.00 C ATOM 521 NZ LYS A 35 -21.863 11.787 -1.333 1.00 0.00 N ATOM 0 H LYS A 35 -16.486 9.018 2.513 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.510 7.348 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.420 9.863 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.698 9.608 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.674 8.598 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.358 8.357 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.941 10.610 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.716 11.167 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.086 9.875 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.375 9.856 -0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.567 11.754 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.267 12.279 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.019 12.298 -1.662 1.00 0.00 H new ATOM 535 N ASN A 36 -16.353 7.119 -0.454 1.00 0.00 N ATOM 536 CA ASN A 36 -15.968 6.314 -1.608 1.00 0.00 C ATOM 537 C ASN A 36 -14.917 5.278 -1.222 1.00 0.00 C ATOM 538 O ASN A 36 -14.744 4.269 -1.905 1.00 0.00 O ATOM 539 CB ASN A 36 -15.432 7.210 -2.725 1.00 0.00 C ATOM 540 CG ASN A 36 -16.329 8.404 -2.990 1.00 0.00 C ATOM 541 OD1 ASN A 36 -16.222 9.434 -2.324 1.00 0.00 O ATOM 542 ND2 ASN A 36 -17.219 8.270 -3.966 1.00 0.00 N ATOM 0 H ASN A 36 -15.666 7.822 -0.182 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.854 5.790 -1.966 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.435 7.560 -2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.331 6.625 -3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -17.850 9.040 -4.190 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -17.272 7.398 -4.492 1.00 0.00 H new ATOM 549 N GLY A 37 -14.216 5.535 -0.121 1.00 0.00 N ATOM 550 CA GLY A 37 -13.191 4.616 0.337 1.00 0.00 C ATOM 551 C GLY A 37 -11.793 5.178 0.170 1.00 0.00 C ATOM 552 O GLY A 37 -11.603 6.394 0.148 1.00 0.00 O ATOM 0 H GLY A 37 -14.340 6.363 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.362 4.380 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.272 3.681 -0.217 1.00 0.00 H new ATOM 556 N LEU A 38 -10.811 4.291 0.055 1.00 0.00 N ATOM 557 CA LEU A 38 -9.422 4.704 -0.109 1.00 0.00 C ATOM 558 C LEU A 38 -9.122 5.039 -1.567 1.00 0.00 C ATOM 559 O LEU A 38 -8.992 4.148 -2.405 1.00 0.00 O ATOM 560 CB LEU A 38 -8.480 3.601 0.377 1.00 0.00 C ATOM 561 CG LEU A 38 -8.828 2.966 1.723 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.742 1.992 2.151 1.00 0.00 C ATOM 563 CD2 LEU A 38 -9.032 4.040 2.782 1.00 0.00 C ATOM 0 H LEU A 38 -10.951 3.281 0.072 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.262 5.600 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.454 2.815 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.473 4.013 0.442 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.760 2.412 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.008 1.550 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.644 1.204 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.794 2.522 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.279 3.570 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.117 4.622 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.847 4.698 2.480 1.00 0.00 H new ATOM 575 N GLY A 39 -9.010 6.331 -1.861 1.00 0.00 N ATOM 576 CA GLY A 39 -8.724 6.761 -3.218 1.00 0.00 C ATOM 577 C GLY A 39 -7.238 6.785 -3.517 1.00 0.00 C ATOM 578 O GLY A 39 -6.533 7.717 -3.125 1.00 0.00 O ATOM 0 H GLY A 39 -9.112 7.087 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.222 6.093 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.139 7.756 -3.376 1.00 0.00 H new ATOM 582 N LEU A 40 -6.759 5.759 -4.211 1.00 0.00 N ATOM 583 CA LEU A 40 -5.346 5.665 -4.561 1.00 0.00 C ATOM 584 C LEU A 40 -5.168 5.060 -5.950 1.00 0.00 C ATOM 585 O LEU A 40 -5.829 4.083 -6.301 1.00 0.00 O ATOM 586 CB LEU A 40 -4.599 4.822 -3.526 1.00 0.00 C ATOM 587 CG LEU A 40 -4.586 5.370 -2.098 1.00 0.00 C ATOM 588 CD1 LEU A 40 -4.492 4.234 -1.092 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.433 6.346 -1.911 1.00 0.00 C ATOM 0 H LEU A 40 -7.328 4.980 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.931 6.673 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.043 3.827 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.568 4.705 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.520 5.905 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.484 4.643 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.350 3.572 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.574 3.671 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.440 6.726 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.489 5.835 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.543 7.177 -2.608 1.00 0.00 H new ATOM 601 N SER A 41 -4.270 5.646 -6.734 1.00 0.00 N ATOM 602 CA SER A 41 -4.006 5.166 -8.086 1.00 0.00 C ATOM 603 C SER A 41 -2.824 4.202 -8.098 1.00 0.00 C ATOM 604 O SER A 41 -1.686 4.592 -7.831 1.00 0.00 O ATOM 605 CB SER A 41 -3.729 6.343 -9.023 1.00 0.00 C ATOM 606 OG SER A 41 -4.919 7.055 -9.313 1.00 0.00 O ATOM 0 H SER A 41 -3.713 6.454 -6.457 1.00 0.00 H new ATOM 0 HA SER A 41 -4.891 4.634 -8.436 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.003 7.014 -8.564 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.285 5.978 -9.949 1.00 0.00 H new ATOM 0 HG SER A 41 -4.715 7.803 -9.912 1.00 0.00 H new ATOM 612 N LEU A 42 -3.100 2.940 -8.410 1.00 0.00 N ATOM 613 CA LEU A 42 -2.061 1.918 -8.458 1.00 0.00 C ATOM 614 C LEU A 42 -1.542 1.735 -9.881 1.00 0.00 C ATOM 615 O LEU A 42 -2.222 2.077 -10.849 1.00 0.00 O ATOM 616 CB LEU A 42 -2.599 0.590 -7.925 1.00 0.00 C ATOM 617 CG LEU A 42 -3.318 0.650 -6.577 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.956 -0.692 -6.251 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.354 1.065 -5.475 1.00 0.00 C ATOM 0 H LEU A 42 -4.035 2.600 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.234 2.247 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.287 0.177 -8.663 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.766 -0.108 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.108 1.399 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.463 -0.630 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.679 -0.949 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.184 -1.460 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.884 1.102 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.542 0.341 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.945 2.050 -5.701 1.00 0.00 H new ATOM 631 N ALA A 43 -0.335 1.192 -10.000 1.00 0.00 N ATOM 632 CA ALA A 43 0.272 0.959 -11.305 1.00 0.00 C ATOM 633 C ALA A 43 1.389 -0.075 -11.214 1.00 0.00 C ATOM 634 O ALA A 43 2.350 0.099 -10.466 1.00 0.00 O ATOM 635 CB ALA A 43 0.804 2.263 -11.880 1.00 0.00 C ATOM 0 H ALA A 43 0.242 0.905 -9.209 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.497 0.568 -11.971 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.254 2.074 -12.854 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.016 2.973 -11.991 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.555 2.678 -11.207 1.00 0.00 H new ATOM 641 N GLY A 44 1.255 -1.154 -11.980 1.00 0.00 N ATOM 642 CA GLY A 44 2.260 -2.201 -11.969 1.00 0.00 C ATOM 643 C GLY A 44 3.655 -1.668 -12.229 1.00 0.00 C ATOM 644 O GLY A 44 3.829 -0.699 -12.967 1.00 0.00 O ATOM 0 H GLY A 44 0.469 -1.321 -12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.242 -2.708 -11.004 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.012 -2.946 -12.725 1.00 0.00 H new ATOM 648 N ASN A 45 4.652 -2.300 -11.618 1.00 0.00 N ATOM 649 CA ASN A 45 6.039 -1.882 -11.785 1.00 0.00 C ATOM 650 C ASN A 45 6.385 -1.724 -13.263 1.00 0.00 C ATOM 651 O ASN A 45 5.861 -2.441 -14.115 1.00 0.00 O ATOM 652 CB ASN A 45 6.981 -2.897 -11.135 1.00 0.00 C ATOM 653 CG ASN A 45 8.417 -2.412 -11.098 1.00 0.00 C ATOM 654 OD1 ASN A 45 8.937 -1.900 -12.090 1.00 0.00 O ATOM 655 ND2 ASN A 45 9.066 -2.572 -9.950 1.00 0.00 N ATOM 0 H ASN A 45 4.525 -3.104 -11.003 1.00 0.00 H new ATOM 0 HA ASN A 45 6.163 -0.916 -11.296 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.644 -3.103 -10.119 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.932 -3.837 -11.684 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.035 -2.265 -9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.595 -3.001 -9.154 1.00 0.00 H new ATOM 662 N LYS A 46 7.272 -0.779 -13.559 1.00 0.00 N ATOM 663 CA LYS A 46 7.691 -0.526 -14.932 1.00 0.00 C ATOM 664 C LYS A 46 7.766 -1.826 -15.726 1.00 0.00 C ATOM 665 O LYS A 46 7.289 -1.902 -16.859 1.00 0.00 O ATOM 666 CB LYS A 46 9.051 0.175 -14.951 1.00 0.00 C ATOM 667 CG LYS A 46 8.996 1.621 -14.490 1.00 0.00 C ATOM 668 CD LYS A 46 10.388 2.205 -14.318 1.00 0.00 C ATOM 669 CE LYS A 46 10.374 3.722 -14.427 1.00 0.00 C ATOM 670 NZ LYS A 46 10.345 4.175 -15.845 1.00 0.00 N ATOM 0 H LYS A 46 7.714 -0.176 -12.866 1.00 0.00 H new ATOM 0 HA LYS A 46 6.949 0.122 -15.399 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.743 -0.375 -14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.454 0.140 -15.963 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.439 2.214 -15.215 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.455 1.682 -13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.789 1.913 -13.347 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.053 1.791 -15.076 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.504 4.116 -13.902 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.256 4.130 -13.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.336 5.214 -15.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.188 3.820 -16.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.490 3.807 -16.310 1.00 0.00 H new ATOM 684 N ASP A 47 8.367 -2.847 -15.125 1.00 0.00 N ATOM 685 CA ASP A 47 8.502 -4.145 -15.776 1.00 0.00 C ATOM 686 C ASP A 47 7.396 -5.095 -15.329 1.00 0.00 C ATOM 687 O ASP A 47 7.298 -5.440 -14.151 1.00 0.00 O ATOM 688 CB ASP A 47 9.871 -4.755 -15.466 1.00 0.00 C ATOM 689 CG ASP A 47 10.936 -4.316 -16.451 1.00 0.00 C ATOM 690 OD1 ASP A 47 10.829 -4.678 -17.641 1.00 0.00 O ATOM 691 OD2 ASP A 47 11.879 -3.612 -16.031 1.00 0.00 O ATOM 0 H ASP A 47 8.768 -2.801 -14.188 1.00 0.00 H new ATOM 0 HA ASP A 47 8.414 -3.995 -16.852 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.173 -4.470 -14.458 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.793 -5.842 -15.480 1.00 0.00 H new ATOM 696 N ARG A 48 6.563 -5.513 -16.277 1.00 0.00 N ATOM 697 CA ARG A 48 5.462 -6.421 -15.980 1.00 0.00 C ATOM 698 C ARG A 48 5.955 -7.640 -15.206 1.00 0.00 C ATOM 699 O ARG A 48 5.405 -7.988 -14.161 1.00 0.00 O ATOM 700 CB ARG A 48 4.778 -6.868 -17.274 1.00 0.00 C ATOM 701 CG ARG A 48 3.597 -7.797 -17.049 1.00 0.00 C ATOM 702 CD ARG A 48 3.228 -8.547 -18.320 1.00 0.00 C ATOM 703 NE ARG A 48 2.304 -9.647 -18.058 1.00 0.00 N ATOM 704 CZ ARG A 48 2.136 -10.677 -18.880 1.00 0.00 C ATOM 705 NH1 ARG A 48 2.826 -10.748 -20.009 1.00 0.00 N ATOM 706 NH2 ARG A 48 1.276 -11.639 -18.572 1.00 0.00 N ATOM 0 H ARG A 48 6.630 -5.237 -17.257 1.00 0.00 H new ATOM 0 HA ARG A 48 4.741 -5.887 -15.361 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.438 -5.987 -17.818 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.509 -7.371 -17.907 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.839 -8.511 -16.261 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.739 -7.220 -16.704 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.776 -7.855 -19.031 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.133 -8.937 -18.786 1.00 0.00 H new ATOM 0 HE ARG A 48 1.758 -9.623 -17.197 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.488 -10.010 -20.249 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.695 -11.540 -20.638 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.743 -11.588 -17.704 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.147 -12.430 -19.204 1.00 0.00 H new ATOM 720 N SER A 49 6.995 -8.284 -15.726 1.00 0.00 N ATOM 721 CA SER A 49 7.560 -9.466 -15.087 1.00 0.00 C ATOM 722 C SER A 49 7.687 -9.260 -13.580 1.00 0.00 C ATOM 723 O SER A 49 7.698 -10.221 -12.810 1.00 0.00 O ATOM 724 CB SER A 49 8.929 -9.791 -15.686 1.00 0.00 C ATOM 725 OG SER A 49 9.278 -11.145 -15.456 1.00 0.00 O ATOM 0 H SER A 49 7.463 -8.007 -16.589 1.00 0.00 H new ATOM 0 HA SER A 49 6.886 -10.303 -15.267 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.917 -9.592 -16.758 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.685 -9.138 -15.249 1.00 0.00 H new ATOM 0 HG SER A 49 10.157 -11.328 -15.850 1.00 0.00 H new ATOM 731 N ARG A 50 7.783 -8.001 -13.168 1.00 0.00 N ATOM 732 CA ARG A 50 7.911 -7.667 -11.754 1.00 0.00 C ATOM 733 C ARG A 50 6.542 -7.427 -11.126 1.00 0.00 C ATOM 734 O ARG A 50 5.978 -6.340 -11.240 1.00 0.00 O ATOM 735 CB ARG A 50 8.789 -6.427 -11.578 1.00 0.00 C ATOM 736 CG ARG A 50 10.268 -6.744 -11.428 1.00 0.00 C ATOM 737 CD ARG A 50 10.977 -5.706 -10.572 1.00 0.00 C ATOM 738 NE ARG A 50 10.956 -6.058 -9.155 1.00 0.00 N ATOM 739 CZ ARG A 50 11.673 -5.429 -8.231 1.00 0.00 C ATOM 740 NH1 ARG A 50 12.462 -4.419 -8.573 1.00 0.00 N ATOM 741 NH2 ARG A 50 11.601 -5.808 -6.961 1.00 0.00 N ATOM 0 H ARG A 50 7.775 -7.195 -13.793 1.00 0.00 H new ATOM 0 HA ARG A 50 8.381 -8.511 -11.249 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.652 -5.770 -12.437 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.453 -5.876 -10.699 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.386 -7.730 -10.978 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.734 -6.785 -12.413 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.010 -5.606 -10.905 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.501 -4.735 -10.711 1.00 0.00 H new ATOM 0 HE ARG A 50 10.358 -6.829 -8.859 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.519 -4.124 -9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.012 -3.938 -7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.994 -6.583 -6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.152 -5.324 -6.252 1.00 0.00 H new ATOM 755 N MET A 51 6.013 -8.451 -10.463 1.00 0.00 N ATOM 756 CA MET A 51 4.709 -8.350 -9.817 1.00 0.00 C ATOM 757 C MET A 51 4.801 -7.532 -8.533 1.00 0.00 C ATOM 758 O MET A 51 5.154 -8.056 -7.476 1.00 0.00 O ATOM 759 CB MET A 51 4.161 -9.745 -9.508 1.00 0.00 C ATOM 760 CG MET A 51 2.644 -9.793 -9.410 1.00 0.00 C ATOM 761 SD MET A 51 1.855 -10.122 -10.997 1.00 0.00 S ATOM 762 CE MET A 51 1.340 -8.472 -11.467 1.00 0.00 C ATOM 0 H MET A 51 6.467 -9.359 -10.359 1.00 0.00 H new ATOM 0 HA MET A 51 4.029 -7.843 -10.502 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.489 -10.436 -10.285 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.589 -10.095 -8.569 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.354 -10.565 -8.698 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.279 -8.844 -9.017 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.551 -8.537 -12.216 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.965 -7.944 -10.590 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.190 -7.930 -11.881 1.00 0.00 H new ATOM 772 N SER A 52 4.482 -6.245 -8.632 1.00 0.00 N ATOM 773 CA SER A 52 4.533 -5.354 -7.479 1.00 0.00 C ATOM 774 C SER A 52 3.571 -4.183 -7.655 1.00 0.00 C ATOM 775 O SER A 52 3.312 -3.742 -8.775 1.00 0.00 O ATOM 776 CB SER A 52 5.957 -4.832 -7.273 1.00 0.00 C ATOM 777 OG SER A 52 6.701 -5.699 -6.435 1.00 0.00 O ATOM 0 H SER A 52 4.186 -5.796 -9.499 1.00 0.00 H new ATOM 0 HA SER A 52 4.231 -5.922 -6.599 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.456 -4.737 -8.237 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.922 -3.836 -6.832 1.00 0.00 H new ATOM 0 HG SER A 52 6.394 -6.621 -6.563 1.00 0.00 H new ATOM 783 N ILE A 53 3.044 -3.686 -6.541 1.00 0.00 N ATOM 784 CA ILE A 53 2.112 -2.566 -6.571 1.00 0.00 C ATOM 785 C ILE A 53 2.803 -1.265 -6.179 1.00 0.00 C ATOM 786 O ILE A 53 3.697 -1.254 -5.334 1.00 0.00 O ATOM 787 CB ILE A 53 0.916 -2.804 -5.629 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.275 -4.163 -5.916 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.106 -1.687 -5.779 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.568 -4.687 -4.775 1.00 0.00 C ATOM 0 H ILE A 53 3.247 -4.041 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 53 1.747 -2.486 -7.595 1.00 0.00 H new ATOM 0 HB ILE A 53 1.277 -2.804 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.346 -4.081 -6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.060 -4.886 -6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.945 -1.869 -5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.358 -0.733 -5.529 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.465 -1.658 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.991 -5.654 -5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.053 -4.801 -3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.375 -3.984 -4.566 1.00 0.00 H new ATOM 802 N PHE A 54 2.380 -0.167 -6.798 1.00 0.00 N ATOM 803 CA PHE A 54 2.958 1.141 -6.514 1.00 0.00 C ATOM 804 C PHE A 54 1.897 2.235 -6.604 1.00 0.00 C ATOM 805 O PHE A 54 0.883 2.078 -7.284 1.00 0.00 O ATOM 806 CB PHE A 54 4.099 1.441 -7.488 1.00 0.00 C ATOM 807 CG PHE A 54 5.343 0.644 -7.217 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.128 0.916 -6.109 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.727 -0.377 -8.071 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.274 0.184 -5.856 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.871 -1.112 -7.824 1.00 0.00 C ATOM 812 CZ PHE A 54 7.646 -0.831 -6.716 1.00 0.00 C ATOM 0 H PHE A 54 1.639 -0.158 -7.499 1.00 0.00 H new ATOM 0 HA PHE A 54 3.352 1.123 -5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.761 1.238 -8.504 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.339 2.503 -7.438 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.842 1.709 -5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.126 -0.601 -8.940 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.877 0.406 -4.988 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.159 -1.906 -8.497 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.541 -1.404 -6.522 1.00 0.00 H new ATOM 822 N VAL A 55 2.139 3.343 -5.911 1.00 0.00 N ATOM 823 CA VAL A 55 1.206 4.464 -5.912 1.00 0.00 C ATOM 824 C VAL A 55 1.680 5.572 -6.845 1.00 0.00 C ATOM 825 O VAL A 55 2.623 6.300 -6.534 1.00 0.00 O ATOM 826 CB VAL A 55 1.023 5.043 -4.496 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.107 6.257 -4.530 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.479 3.980 -3.553 1.00 0.00 C ATOM 0 H VAL A 55 2.973 3.489 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 55 0.249 4.080 -6.266 1.00 0.00 H new ATOM 0 HB VAL A 55 1.996 5.363 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.011 6.652 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.542 7.023 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.868 5.966 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.356 4.406 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.485 3.628 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.177 3.144 -3.506 1.00 0.00 H new ATOM 838 N VAL A 56 1.019 5.696 -7.992 1.00 0.00 N ATOM 839 CA VAL A 56 1.370 6.717 -8.971 1.00 0.00 C ATOM 840 C VAL A 56 0.412 7.901 -8.899 1.00 0.00 C ATOM 841 O VAL A 56 0.438 8.787 -9.753 1.00 0.00 O ATOM 842 CB VAL A 56 1.361 6.149 -10.403 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.183 4.871 -10.475 1.00 0.00 C ATOM 844 CG2 VAL A 56 -0.066 5.902 -10.868 1.00 0.00 C ATOM 0 H VAL A 56 0.237 5.101 -8.266 1.00 0.00 H new ATOM 0 HA VAL A 56 2.378 7.054 -8.728 1.00 0.00 H new ATOM 0 HB VAL A 56 1.814 6.882 -11.070 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.165 4.484 -11.494 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.212 5.083 -10.185 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.761 4.129 -9.797 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.054 5.501 -11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.548 5.187 -10.200 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.620 6.840 -10.856 1.00 0.00 H new ATOM 854 N GLY A 57 -0.434 7.909 -7.874 1.00 0.00 N ATOM 855 CA GLY A 57 -1.390 8.989 -7.709 1.00 0.00 C ATOM 856 C GLY A 57 -2.239 8.826 -6.464 1.00 0.00 C ATOM 857 O GLY A 57 -2.562 7.706 -6.067 1.00 0.00 O ATOM 0 H GLY A 57 -0.475 7.187 -7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.856 9.938 -7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.038 9.033 -8.584 1.00 0.00 H new ATOM 861 N ILE A 58 -2.602 9.945 -5.847 1.00 0.00 N ATOM 862 CA ILE A 58 -3.419 9.921 -4.640 1.00 0.00 C ATOM 863 C ILE A 58 -4.525 10.969 -4.704 1.00 0.00 C ATOM 864 O ILE A 58 -4.264 12.168 -4.623 1.00 0.00 O ATOM 865 CB ILE A 58 -2.568 10.166 -3.379 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.554 9.035 -3.194 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.460 10.291 -2.154 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.553 9.296 -2.091 1.00 0.00 C ATOM 0 H ILE A 58 -2.343 10.880 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.865 8.928 -4.581 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.022 11.101 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.089 8.110 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.018 8.881 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.844 10.464 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.146 11.128 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.030 9.371 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.134 8.453 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.008 10.203 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.079 9.420 -1.144 1.00 0.00 H new ATOM 880 N ASN A 59 -5.763 10.506 -4.847 1.00 0.00 N ATOM 881 CA ASN A 59 -6.910 11.403 -4.921 1.00 0.00 C ATOM 882 C ASN A 59 -6.861 12.442 -3.805 1.00 0.00 C ATOM 883 O ASN A 59 -6.863 12.116 -2.618 1.00 0.00 O ATOM 884 CB ASN A 59 -8.213 10.606 -4.833 1.00 0.00 C ATOM 885 CG ASN A 59 -9.356 11.282 -5.565 1.00 0.00 C ATOM 886 OD1 ASN A 59 -9.164 11.872 -6.628 1.00 0.00 O ATOM 887 ND2 ASN A 59 -10.554 11.200 -4.997 1.00 0.00 N ATOM 0 H ASN A 59 -5.997 9.515 -4.914 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.873 11.922 -5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.056 9.611 -5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.484 10.473 -3.786 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.361 11.636 -5.443 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.667 10.701 -4.115 1.00 0.00 H new ATOM 894 N PRO A 60 -6.815 13.725 -4.194 1.00 0.00 N ATOM 895 CA PRO A 60 -6.765 14.839 -3.243 1.00 0.00 C ATOM 896 C PRO A 60 -8.077 15.013 -2.484 1.00 0.00 C ATOM 897 O PRO A 60 -8.154 15.787 -1.531 1.00 0.00 O ATOM 898 CB PRO A 60 -6.497 16.055 -4.133 1.00 0.00 C ATOM 899 CG PRO A 60 -7.030 15.670 -5.470 1.00 0.00 C ATOM 900 CD PRO A 60 -6.809 14.187 -5.592 1.00 0.00 C ATOM 0 HA PRO A 60 -6.010 14.683 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.996 16.945 -3.749 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.432 16.283 -4.182 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.089 15.915 -5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.515 16.208 -6.265 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.596 13.710 -6.176 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.864 13.961 -6.086 1.00 0.00 H new ATOM 908 N GLU A 61 -9.105 14.288 -2.915 1.00 0.00 N ATOM 909 CA GLU A 61 -10.413 14.364 -2.275 1.00 0.00 C ATOM 910 C GLU A 61 -10.686 13.113 -1.445 1.00 0.00 C ATOM 911 O GLU A 61 -11.671 13.044 -0.712 1.00 0.00 O ATOM 912 CB GLU A 61 -11.510 14.541 -3.327 1.00 0.00 C ATOM 913 CG GLU A 61 -11.266 15.707 -4.270 1.00 0.00 C ATOM 914 CD GLU A 61 -11.847 17.008 -3.751 1.00 0.00 C ATOM 915 OE1 GLU A 61 -12.872 16.959 -3.039 1.00 0.00 O ATOM 916 OE2 GLU A 61 -11.276 18.076 -4.056 1.00 0.00 O ATOM 0 H GLU A 61 -9.057 13.643 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.414 15.228 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.594 13.624 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.465 14.686 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.194 15.828 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.703 15.481 -5.243 1.00 0.00 H new ATOM 923 N GLY A 62 -9.805 12.125 -1.567 1.00 0.00 N ATOM 924 CA GLY A 62 -9.969 10.889 -0.824 1.00 0.00 C ATOM 925 C GLY A 62 -9.331 10.951 0.550 1.00 0.00 C ATOM 926 O GLY A 62 -8.699 11.940 0.921 1.00 0.00 O ATOM 0 H GLY A 62 -8.981 12.158 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.032 10.670 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.529 10.067 -1.389 1.00 0.00 H new ATOM 930 N PRO A 63 -9.498 9.874 1.333 1.00 0.00 N ATOM 931 CA PRO A 63 -8.942 9.786 2.686 1.00 0.00 C ATOM 932 C PRO A 63 -7.422 9.670 2.683 1.00 0.00 C ATOM 933 O PRO A 63 -6.745 10.233 3.542 1.00 0.00 O ATOM 934 CB PRO A 63 -9.574 8.509 3.247 1.00 0.00 C ATOM 935 CG PRO A 63 -9.891 7.685 2.047 1.00 0.00 C ATOM 936 CD PRO A 63 -10.240 8.659 0.956 1.00 0.00 C ATOM 0 HA PRO A 63 -9.157 10.679 3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.888 7.988 3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.472 8.732 3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.039 7.068 1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.722 7.008 2.247 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.936 8.291 -0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.313 8.842 0.909 1.00 0.00 H new ATOM 944 N ALA A 64 -6.891 8.937 1.709 1.00 0.00 N ATOM 945 CA ALA A 64 -5.450 8.750 1.593 1.00 0.00 C ATOM 946 C ALA A 64 -4.728 10.090 1.501 1.00 0.00 C ATOM 947 O ALA A 64 -3.575 10.213 1.912 1.00 0.00 O ATOM 948 CB ALA A 64 -5.126 7.889 0.380 1.00 0.00 C ATOM 0 H ALA A 64 -7.437 8.463 0.989 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.101 8.240 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.047 7.757 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.604 6.915 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.495 8.377 -0.522 1.00 0.00 H new ATOM 954 N ALA A 65 -5.414 11.091 0.960 1.00 0.00 N ATOM 955 CA ALA A 65 -4.839 12.422 0.816 1.00 0.00 C ATOM 956 C ALA A 65 -5.064 13.256 2.072 1.00 0.00 C ATOM 957 O ALA A 65 -4.196 14.027 2.481 1.00 0.00 O ATOM 958 CB ALA A 65 -5.428 13.123 -0.399 1.00 0.00 C ATOM 0 H ALA A 65 -6.370 11.005 0.614 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.764 12.313 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.989 14.116 -0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.210 12.542 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.508 13.213 -0.279 1.00 0.00 H new ATOM 964 N ALA A 66 -6.235 13.098 2.680 1.00 0.00 N ATOM 965 CA ALA A 66 -6.573 13.836 3.890 1.00 0.00 C ATOM 966 C ALA A 66 -5.529 13.613 4.979 1.00 0.00 C ATOM 967 O ALA A 66 -4.902 14.560 5.454 1.00 0.00 O ATOM 968 CB ALA A 66 -7.952 13.429 4.388 1.00 0.00 C ATOM 0 H ALA A 66 -6.966 12.465 2.354 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.585 14.898 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.192 13.988 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.695 13.645 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.959 12.362 4.609 1.00 0.00 H new ATOM 974 N ASP A 67 -5.347 12.357 5.370 1.00 0.00 N ATOM 975 CA ASP A 67 -4.378 12.010 6.403 1.00 0.00 C ATOM 976 C ASP A 67 -3.027 12.659 6.120 1.00 0.00 C ATOM 977 O ASP A 67 -2.334 13.100 7.036 1.00 0.00 O ATOM 978 CB ASP A 67 -4.219 10.491 6.494 1.00 0.00 C ATOM 979 CG ASP A 67 -3.846 10.031 7.889 1.00 0.00 C ATOM 980 OD1 ASP A 67 -4.342 10.632 8.865 1.00 0.00 O ATOM 981 OD2 ASP A 67 -3.060 9.068 8.005 1.00 0.00 O ATOM 0 H ASP A 67 -5.858 11.562 4.987 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.749 12.386 7.356 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.151 10.012 6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.453 10.166 5.790 1.00 0.00 H new ATOM 986 N GLY A 68 -2.657 12.712 4.844 1.00 0.00 N ATOM 987 CA GLY A 68 -1.389 13.308 4.463 1.00 0.00 C ATOM 988 C GLY A 68 -0.202 12.474 4.903 1.00 0.00 C ATOM 989 O GLY A 68 0.773 13.004 5.438 1.00 0.00 O ATOM 0 H GLY A 68 -3.212 12.353 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.360 13.433 3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.312 14.303 4.901 1.00 0.00 H new ATOM 993 N ARG A 69 -0.283 11.167 4.681 1.00 0.00 N ATOM 994 CA ARG A 69 0.792 10.259 5.061 1.00 0.00 C ATOM 995 C ARG A 69 1.259 9.437 3.863 1.00 0.00 C ATOM 996 O ARG A 69 2.446 9.141 3.726 1.00 0.00 O ATOM 997 CB ARG A 69 0.328 9.327 6.182 1.00 0.00 C ATOM 998 CG ARG A 69 0.019 10.047 7.484 1.00 0.00 C ATOM 999 CD ARG A 69 1.257 10.179 8.356 1.00 0.00 C ATOM 1000 NE ARG A 69 2.043 11.362 8.016 1.00 0.00 N ATOM 1001 CZ ARG A 69 3.252 11.608 8.510 1.00 0.00 C ATOM 1002 NH1 ARG A 69 3.810 10.758 9.361 1.00 0.00 N ATOM 1003 NH2 ARG A 69 3.904 12.707 8.152 1.00 0.00 N ATOM 0 H ARG A 69 -1.082 10.713 4.240 1.00 0.00 H new ATOM 0 HA ARG A 69 1.630 10.858 5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.562 8.792 5.853 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.100 8.580 6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.382 11.037 7.267 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.753 9.503 8.027 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.959 10.231 9.403 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.876 9.289 8.244 1.00 0.00 H new ATOM 0 HE ARG A 69 1.642 12.036 7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.311 9.913 9.638 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.738 10.950 9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.477 13.363 7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.832 12.896 8.531 1.00 0.00 H new ATOM 1017 N MET A 70 0.317 9.073 2.999 1.00 0.00 N ATOM 1018 CA MET A 70 0.633 8.286 1.812 1.00 0.00 C ATOM 1019 C MET A 70 1.050 9.190 0.656 1.00 0.00 C ATOM 1020 O MET A 70 0.296 10.069 0.240 1.00 0.00 O ATOM 1021 CB MET A 70 -0.571 7.436 1.402 1.00 0.00 C ATOM 1022 CG MET A 70 -0.580 6.052 2.029 1.00 0.00 C ATOM 1023 SD MET A 70 -1.404 4.826 0.995 1.00 0.00 S ATOM 1024 CE MET A 70 -0.122 4.481 -0.207 1.00 0.00 C ATOM 0 H MET A 70 -0.670 9.310 3.098 1.00 0.00 H new ATOM 0 HA MET A 70 1.467 7.628 2.054 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.486 7.958 1.681 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.581 7.334 0.317 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.446 5.735 2.214 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.079 6.099 2.997 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.409 3.617 -0.807 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.010 5.346 -0.856 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.814 4.269 0.310 1.00 0.00 H new ATOM 1034 N ARG A 71 2.256 8.967 0.142 1.00 0.00 N ATOM 1035 CA ARG A 71 2.773 9.763 -0.965 1.00 0.00 C ATOM 1036 C ARG A 71 2.816 8.942 -2.250 1.00 0.00 C ATOM 1037 O ARG A 71 2.359 7.800 -2.285 1.00 0.00 O ATOM 1038 CB ARG A 71 4.171 10.287 -0.634 1.00 0.00 C ATOM 1039 CG ARG A 71 4.203 11.226 0.560 1.00 0.00 C ATOM 1040 CD ARG A 71 3.760 10.523 1.834 1.00 0.00 C ATOM 1041 NE ARG A 71 4.128 11.275 3.031 1.00 0.00 N ATOM 1042 CZ ARG A 71 3.470 12.349 3.455 1.00 0.00 C ATOM 1043 NH1 ARG A 71 2.417 12.793 2.784 1.00 0.00 N ATOM 1044 NH2 ARG A 71 3.866 12.979 4.553 1.00 0.00 N ATOM 0 H ARG A 71 2.892 8.242 0.474 1.00 0.00 H new ATOM 0 HA ARG A 71 2.102 10.609 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.830 9.441 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.570 10.807 -1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.212 11.616 0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.553 12.080 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.679 10.382 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.211 9.531 1.876 1.00 0.00 H new ATOM 0 HE ARG A 71 4.934 10.959 3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.110 12.310 1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.914 13.618 3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.676 12.639 5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.361 13.803 4.878 1.00 0.00 H new ATOM 1058 N ILE A 72 3.368 9.533 -3.305 1.00 0.00 N ATOM 1059 CA ILE A 72 3.472 8.856 -4.592 1.00 0.00 C ATOM 1060 C ILE A 72 4.753 8.034 -4.679 1.00 0.00 C ATOM 1061 O ILE A 72 5.853 8.561 -4.521 1.00 0.00 O ATOM 1062 CB ILE A 72 3.439 9.860 -5.760 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.335 10.896 -5.539 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.232 9.131 -7.079 1.00 0.00 C ATOM 1065 CD1 ILE A 72 0.991 10.287 -5.207 1.00 0.00 C ATOM 0 H ILE A 72 3.750 10.479 -3.294 1.00 0.00 H new ATOM 0 HA ILE A 72 2.611 8.192 -4.670 1.00 0.00 H new ATOM 0 HB ILE A 72 4.396 10.380 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.632 11.564 -4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.236 11.506 -6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.211 9.854 -7.895 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.049 8.428 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.287 8.588 -7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.257 11.080 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.672 9.641 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.074 9.700 -4.292 1.00 0.00 H new ATOM 1077 N GLY A 73 4.601 6.737 -4.933 1.00 0.00 N ATOM 1078 CA GLY A 73 5.754 5.863 -5.039 1.00 0.00 C ATOM 1079 C GLY A 73 5.703 4.714 -4.051 1.00 0.00 C ATOM 1080 O GLY A 73 6.301 3.663 -4.280 1.00 0.00 O ATOM 0 H GLY A 73 3.700 6.277 -5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.812 5.465 -6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.662 6.442 -4.871 1.00 0.00 H new ATOM 1084 N ASP A 74 4.989 4.915 -2.950 1.00 0.00 N ATOM 1085 CA ASP A 74 4.863 3.888 -1.922 1.00 0.00 C ATOM 1086 C ASP A 74 4.484 2.545 -2.540 1.00 0.00 C ATOM 1087 O ASP A 74 3.742 2.490 -3.520 1.00 0.00 O ATOM 1088 CB ASP A 74 3.817 4.299 -0.885 1.00 0.00 C ATOM 1089 CG ASP A 74 4.096 5.666 -0.292 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.281 5.976 -0.046 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.130 6.427 -0.076 1.00 0.00 O ATOM 0 H ASP A 74 4.488 5.780 -2.746 1.00 0.00 H new ATOM 0 HA ASP A 74 5.829 3.782 -1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.831 4.302 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.791 3.558 -0.086 1.00 0.00 H new ATOM 1096 N GLU A 75 5.000 1.466 -1.960 1.00 0.00 N ATOM 1097 CA GLU A 75 4.717 0.124 -2.456 1.00 0.00 C ATOM 1098 C GLU A 75 3.929 -0.681 -1.427 1.00 0.00 C ATOM 1099 O GLU A 75 4.494 -1.200 -0.463 1.00 0.00 O ATOM 1100 CB GLU A 75 6.019 -0.602 -2.800 1.00 0.00 C ATOM 1101 CG GLU A 75 5.839 -2.090 -3.048 1.00 0.00 C ATOM 1102 CD GLU A 75 7.135 -2.779 -3.431 1.00 0.00 C ATOM 1103 OE1 GLU A 75 8.028 -2.887 -2.566 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.255 -3.209 -4.598 1.00 0.00 O ATOM 0 H GLU A 75 5.615 1.495 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 75 4.113 0.218 -3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.457 -0.145 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.730 -0.461 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.435 -2.558 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.106 -2.236 -3.841 1.00 0.00 H new ATOM 1111 N LEU A 76 2.622 -0.781 -1.637 1.00 0.00 N ATOM 1112 CA LEU A 76 1.754 -1.522 -0.728 1.00 0.00 C ATOM 1113 C LEU A 76 2.273 -2.941 -0.517 1.00 0.00 C ATOM 1114 O LEU A 76 2.542 -3.664 -1.477 1.00 0.00 O ATOM 1115 CB LEU A 76 0.327 -1.565 -1.275 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.394 -0.220 -1.376 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.704 -0.372 -2.135 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.642 0.357 0.010 1.00 0.00 C ATOM 0 H LEU A 76 2.139 -0.358 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 76 1.752 -1.008 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.353 -2.016 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.264 -2.225 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 76 0.243 0.472 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.203 0.595 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.501 -0.741 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.348 -1.079 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.156 1.314 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.259 -0.333 0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.311 0.504 0.519 1.00 0.00 H new ATOM 1130 N LEU A 77 2.409 -3.334 0.745 1.00 0.00 N ATOM 1131 CA LEU A 77 2.893 -4.667 1.083 1.00 0.00 C ATOM 1132 C LEU A 77 1.774 -5.519 1.675 1.00 0.00 C ATOM 1133 O LEU A 77 1.649 -6.702 1.360 1.00 0.00 O ATOM 1134 CB LEU A 77 4.056 -4.574 2.073 1.00 0.00 C ATOM 1135 CG LEU A 77 5.223 -3.678 1.654 1.00 0.00 C ATOM 1136 CD1 LEU A 77 6.031 -3.252 2.870 1.00 0.00 C ATOM 1137 CD2 LEU A 77 6.109 -4.394 0.646 1.00 0.00 C ATOM 0 H LEU A 77 2.191 -2.748 1.551 1.00 0.00 H new ATOM 0 HA LEU A 77 3.241 -5.143 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.669 -4.211 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.440 -5.579 2.248 1.00 0.00 H new ATOM 0 HG LEU A 77 4.819 -2.783 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.857 -2.615 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.390 -2.700 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.426 -4.135 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.934 -3.742 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.506 -5.306 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.523 -4.648 -0.237 1.00 0.00 H new ATOM 1149 N GLU A 78 0.963 -4.908 2.532 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.147 -5.611 3.166 1.00 0.00 C ATOM 1151 C GLU A 78 -1.377 -4.713 3.259 1.00 0.00 C ATOM 1152 O GLU A 78 -1.263 -3.488 3.300 1.00 0.00 O ATOM 1153 CB GLU A 78 0.256 -6.089 4.563 1.00 0.00 C ATOM 1154 CG GLU A 78 1.557 -6.873 4.587 1.00 0.00 C ATOM 1155 CD GLU A 78 1.695 -7.737 5.825 1.00 0.00 C ATOM 1156 OE1 GLU A 78 0.669 -8.276 6.290 1.00 0.00 O ATOM 1157 OE2 GLU A 78 2.830 -7.875 6.328 1.00 0.00 O ATOM 0 H GLU A 78 1.053 -3.929 2.803 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.396 -6.476 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.351 -5.225 5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.541 -6.712 4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.613 -7.504 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.396 -6.179 4.538 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.553 -5.332 3.291 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.804 -4.590 3.379 1.00 0.00 C ATOM 1166 C ILE A 79 -4.890 -5.423 4.052 1.00 0.00 C ATOM 1167 O ILE A 79 -5.304 -6.459 3.533 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.298 -4.151 1.988 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.331 -3.134 1.378 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.699 -3.568 2.083 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.880 -2.440 0.151 1.00 0.00 C ATOM 0 H ILE A 79 -2.665 -6.345 3.257 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.603 -3.703 3.980 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.334 -5.025 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.083 -2.384 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.402 -3.640 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.034 -3.262 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.380 -4.321 2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.689 -2.702 2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.142 -1.733 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.102 -3.181 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.793 -1.905 0.413 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.350 -4.961 5.211 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.390 -5.662 5.955 1.00 0.00 C ATOM 1185 C ASN A 80 -5.972 -7.100 6.250 1.00 0.00 C ATOM 1186 O ASN A 80 -6.722 -8.040 5.992 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.703 -5.652 5.170 1.00 0.00 C ATOM 1188 CG ASN A 80 -8.849 -6.261 5.953 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.314 -7.358 5.642 1.00 0.00 O ATOM 1190 ND2 ASN A 80 -9.311 -5.551 6.975 1.00 0.00 N ATOM 0 H ASN A 80 -5.019 -4.104 5.655 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.537 -5.143 6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.955 -4.626 4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.570 -6.202 4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.082 -5.910 7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.895 -4.646 7.197 1.00 0.00 H new ATOM 1197 N ASN A 81 -4.769 -7.262 6.792 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.251 -8.584 7.122 1.00 0.00 C ATOM 1199 C ASN A 81 -4.164 -9.461 5.877 1.00 0.00 C ATOM 1200 O ASN A 81 -4.644 -10.594 5.869 1.00 0.00 O ATOM 1201 CB ASN A 81 -5.141 -9.256 8.171 1.00 0.00 C ATOM 1202 CG ASN A 81 -4.742 -8.889 9.587 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -3.798 -9.450 10.143 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -5.462 -7.942 10.178 1.00 0.00 N ATOM 0 H ASN A 81 -4.135 -6.494 7.012 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.248 -8.462 7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.178 -8.967 8.002 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.087 -10.338 8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.241 -7.653 11.131 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.236 -7.504 9.679 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.547 -8.928 4.827 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.397 -9.662 3.576 1.00 0.00 C ATOM 1213 C GLN A 82 -2.189 -9.161 2.792 1.00 0.00 C ATOM 1214 O GLN A 82 -2.186 -8.037 2.289 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.662 -9.528 2.726 1.00 0.00 C ATOM 1216 CG GLN A 82 -5.822 -10.375 3.224 1.00 0.00 C ATOM 1217 CD GLN A 82 -6.897 -10.568 2.173 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -6.494 -11.014 0.988 1.00 0.00 O flip ATOM 1219 NE2 GLN A 82 -8.077 -10.319 2.422 1.00 0.00 N flip ATOM 0 H GLN A 82 -3.143 -7.991 4.818 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.240 -10.713 3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.968 -8.482 2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.431 -9.811 1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.447 -11.349 3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.260 -9.903 4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.342 -9.978 3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.789 -10.454 1.704 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.164 -10.001 2.693 1.00 0.00 N ATOM 1229 CA ILE A 83 0.050 -9.643 1.970 1.00 0.00 C ATOM 1230 C ILE A 83 -0.195 -9.614 0.465 1.00 0.00 C ATOM 1231 O ILE A 83 -0.636 -10.603 -0.122 1.00 0.00 O ATOM 1232 CB ILE A 83 1.196 -10.625 2.274 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.512 -10.628 3.771 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.434 -10.261 1.467 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.725 -11.457 4.131 1.00 0.00 C ATOM 0 H ILE A 83 -1.150 -10.934 3.104 1.00 0.00 H new ATOM 0 HA ILE A 83 0.337 -8.647 2.308 1.00 0.00 H new ATOM 0 HB ILE A 83 0.880 -11.628 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.672 -9.602 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.648 -11.008 4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.235 -10.964 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.201 -10.306 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.753 -9.252 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.889 -11.413 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.561 -12.492 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.601 -11.064 3.614 1.00 0.00 H new ATOM 1247 N LEU A 84 0.096 -8.476 -0.154 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.091 -8.318 -1.592 1.00 0.00 C ATOM 1249 C LEU A 84 1.193 -8.646 -2.347 1.00 0.00 C ATOM 1250 O LEU A 84 1.162 -8.971 -3.534 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.535 -6.890 -1.915 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.584 -6.286 -0.981 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.706 -4.788 -1.214 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -2.929 -6.970 -1.176 1.00 0.00 C ATOM 0 H LEU A 84 0.462 -7.649 0.317 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.867 -9.014 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.345 -6.246 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.930 -6.875 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.263 -6.448 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.457 -4.375 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.745 -4.311 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.003 -4.603 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.663 -6.527 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.257 -6.840 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.831 -8.033 -0.958 1.00 0.00 H new ATOM 1266 N TYR A 85 2.321 -8.561 -1.650 1.00 0.00 N ATOM 1267 CA TYR A 85 3.616 -8.849 -2.254 1.00 0.00 C ATOM 1268 C TYR A 85 3.543 -10.094 -3.133 1.00 0.00 C ATOM 1269 O TYR A 85 3.714 -11.215 -2.657 1.00 0.00 O ATOM 1270 CB TYR A 85 4.678 -9.039 -1.170 1.00 0.00 C ATOM 1271 CG TYR A 85 6.091 -9.081 -1.706 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.640 -10.267 -2.179 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.877 -7.936 -1.739 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.931 -10.310 -2.669 1.00 0.00 C ATOM 1275 CE2 TYR A 85 8.168 -7.970 -2.229 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.691 -9.159 -2.693 1.00 0.00 C ATOM 1277 OH TYR A 85 9.977 -9.197 -3.180 1.00 0.00 O ATOM 0 H TYR A 85 2.364 -8.295 -0.666 1.00 0.00 H new ATOM 0 HA TYR A 85 3.892 -8.000 -2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.597 -8.227 -0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.475 -9.965 -0.633 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.048 -11.170 -2.163 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.472 -7.003 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.343 -11.240 -3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.765 -7.070 -2.249 1.00 0.00 H new ATOM 0 HH TYR A 85 10.373 -8.302 -3.127 1.00 0.00 H new ATOM 1287 N GLY A 86 3.288 -9.887 -4.422 1.00 0.00 N ATOM 1288 CA GLY A 86 3.196 -11.001 -5.348 1.00 0.00 C ATOM 1289 C GLY A 86 1.809 -11.150 -5.940 1.00 0.00 C ATOM 1290 O GLY A 86 1.407 -12.247 -6.328 1.00 0.00 O ATOM 0 H GLY A 86 3.144 -8.968 -4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.918 -10.861 -6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.468 -11.922 -4.832 1.00 0.00 H new ATOM 1294 N ARG A 87 1.074 -10.045 -6.008 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.278 -10.059 -6.553 1.00 0.00 C ATOM 1296 C ARG A 87 -0.492 -8.885 -7.505 1.00 0.00 C ATOM 1297 O ARG A 87 0.387 -8.039 -7.670 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.308 -10.007 -5.423 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.361 -11.277 -4.590 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.358 -11.153 -3.448 1.00 0.00 C ATOM 1301 NE ARG A 87 -3.723 -11.438 -3.881 1.00 0.00 N ATOM 1302 CZ ARG A 87 -4.767 -11.450 -3.059 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -4.602 -11.194 -1.769 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -5.979 -11.717 -3.528 1.00 0.00 N ATOM 0 H ARG A 87 1.392 -9.129 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.408 -10.986 -7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.078 -9.164 -4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.294 -9.820 -5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.637 -12.119 -5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.371 -11.492 -4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.080 -11.840 -2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.312 -10.146 -3.034 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.884 -11.639 -4.868 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.672 -10.987 -1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.405 -11.204 -1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.110 -11.913 -4.520 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.780 -11.726 -2.896 1.00 0.00 H new ATOM 1318 N SER A 88 -1.665 -8.841 -8.128 1.00 0.00 N ATOM 1319 CA SER A 88 -1.993 -7.774 -9.066 1.00 0.00 C ATOM 1320 C SER A 88 -2.621 -6.587 -8.341 1.00 0.00 C ATOM 1321 O SER A 88 -3.458 -6.758 -7.454 1.00 0.00 O ATOM 1322 CB SER A 88 -2.948 -8.290 -10.144 1.00 0.00 C ATOM 1323 OG SER A 88 -4.192 -8.672 -9.583 1.00 0.00 O ATOM 0 H SER A 88 -2.404 -9.532 -8.000 1.00 0.00 H new ATOM 0 HA SER A 88 -1.068 -7.442 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.107 -7.516 -10.895 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.499 -9.142 -10.655 1.00 0.00 H new ATOM 0 HG SER A 88 -4.785 -8.997 -10.292 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.209 -5.383 -8.724 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.730 -4.166 -8.111 1.00 0.00 C ATOM 1331 C HIS A 89 -4.254 -4.195 -8.057 1.00 0.00 C ATOM 1332 O HIS A 89 -4.859 -3.726 -7.093 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.259 -2.936 -8.889 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.523 -3.021 -10.361 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -3.737 -2.695 -10.927 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -1.721 -3.396 -11.384 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -3.671 -2.867 -12.235 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -2.457 -3.292 -12.538 1.00 0.00 N ATOM 0 H HIS A 89 -1.516 -5.224 -9.456 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.349 -4.110 -7.091 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.756 -2.052 -8.490 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.190 -2.802 -8.727 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.693 -3.717 -11.307 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.472 -2.690 -12.937 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.121 -3.508 -13.477 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.868 -4.748 -9.098 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.322 -4.836 -9.168 1.00 0.00 C ATOM 1349 C GLN A 90 -6.883 -5.560 -7.948 1.00 0.00 C ATOM 1350 O GLN A 90 -7.949 -5.211 -7.444 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.749 -5.560 -10.446 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.915 -4.636 -11.642 1.00 0.00 C ATOM 1353 CD GLN A 90 -8.111 -3.714 -11.505 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -9.251 -4.169 -11.404 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -7.857 -2.411 -11.502 1.00 0.00 N ATOM 0 H GLN A 90 -4.382 -5.141 -9.904 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.722 -3.822 -9.182 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.008 -6.323 -10.687 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.691 -6.077 -10.263 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.012 -4.038 -11.762 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.024 -5.234 -12.546 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.897 -2.078 -11.588 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.622 -1.742 -11.414 1.00 0.00 H new ATOM 1364 N ASN A 91 -6.157 -6.570 -7.480 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.583 -7.343 -6.319 1.00 0.00 C ATOM 1366 C ASN A 91 -6.581 -6.482 -5.060 1.00 0.00 C ATOM 1367 O ASN A 91 -7.572 -6.424 -4.333 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.669 -8.554 -6.124 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.827 -9.582 -7.227 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -6.249 -9.258 -8.337 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -5.488 -10.830 -6.926 1.00 0.00 N ATOM 0 H ASN A 91 -5.272 -6.872 -7.886 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.601 -7.689 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.632 -8.221 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.888 -9.020 -5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.573 -11.565 -7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.143 -11.054 -5.993 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.460 -5.813 -4.810 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.329 -4.952 -3.641 1.00 0.00 C ATOM 1380 C ALA A 92 -6.584 -4.109 -3.437 1.00 0.00 C ATOM 1381 O ALA A 92 -7.190 -4.130 -2.366 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.106 -4.057 -3.779 1.00 0.00 C ATOM 0 H ALA A 92 -4.630 -5.851 -5.401 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.203 -5.587 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.021 -3.419 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.212 -4.674 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.208 -3.436 -4.669 1.00 0.00 H new ATOM 1388 N SER A 93 -6.967 -3.366 -4.471 1.00 0.00 N ATOM 1389 CA SER A 93 -8.147 -2.512 -4.403 1.00 0.00 C ATOM 1390 C SER A 93 -9.373 -3.313 -3.977 1.00 0.00 C ATOM 1391 O SER A 93 -10.221 -2.822 -3.232 1.00 0.00 O ATOM 1392 CB SER A 93 -8.402 -1.850 -5.758 1.00 0.00 C ATOM 1393 OG SER A 93 -7.358 -0.951 -6.091 1.00 0.00 O ATOM 0 H SER A 93 -6.477 -3.338 -5.365 1.00 0.00 H new ATOM 0 HA SER A 93 -7.963 -1.738 -3.658 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.487 -2.615 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.352 -1.316 -5.732 1.00 0.00 H new ATOM 0 HG SER A 93 -7.544 -0.542 -6.962 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.460 -4.550 -4.455 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.581 -5.421 -4.123 1.00 0.00 C ATOM 1401 C ALA A 94 -10.589 -5.762 -2.637 1.00 0.00 C ATOM 1402 O ALA A 94 -11.632 -5.707 -1.984 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.527 -6.692 -4.958 1.00 0.00 C ATOM 0 H ALA A 94 -8.767 -4.972 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.504 -4.888 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.370 -7.333 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.578 -6.435 -6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.595 -7.220 -4.757 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.422 -6.114 -2.109 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.297 -6.464 -0.699 1.00 0.00 C ATOM 1411 C ILE A 95 -9.795 -5.333 0.194 1.00 0.00 C ATOM 1412 O ILE A 95 -10.430 -5.574 1.221 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.838 -6.792 -0.328 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.362 -8.031 -1.089 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.708 -7.002 1.173 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.884 -8.311 -0.923 1.00 0.00 C ATOM 0 H ILE A 95 -8.550 -6.165 -2.636 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.912 -7.349 -0.537 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.207 -5.950 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.928 -8.897 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.583 -7.904 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.672 -7.233 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.012 -6.095 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.347 -7.829 1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.617 -9.203 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.309 -7.461 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.660 -8.470 0.132 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.504 -4.099 -0.205 1.00 0.00 N ATOM 1429 CA ILE A 96 -9.925 -2.931 0.558 1.00 0.00 C ATOM 1430 C ILE A 96 -11.444 -2.794 0.560 1.00 0.00 C ATOM 1431 O ILE A 96 -12.057 -2.572 1.604 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.305 -1.638 -0.004 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.786 -1.651 0.185 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -9.917 -0.420 0.671 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.080 -0.516 -0.522 1.00 0.00 C ATOM 0 H ILE A 96 -8.979 -3.883 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.574 -3.078 1.580 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.520 -1.584 -1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.560 -1.601 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.390 -2.598 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.468 0.486 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.992 -0.406 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.730 -0.466 1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.007 -0.588 -0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.276 -0.576 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.448 0.436 -0.139 1.00 0.00 H new ATOM 1447 N LYS A 97 -12.046 -2.929 -0.617 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.494 -2.823 -0.752 1.00 0.00 C ATOM 1449 C LYS A 97 -14.201 -3.757 0.224 1.00 0.00 C ATOM 1450 O LYS A 97 -15.166 -3.368 0.884 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.918 -3.151 -2.186 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.174 -2.422 -2.631 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.412 -2.581 -4.123 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.473 -1.701 -4.934 1.00 0.00 C ATOM 1455 NZ LYS A 97 -14.992 -1.455 -6.308 1.00 0.00 N ATOM 0 H LYS A 97 -11.553 -3.112 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.782 -1.798 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.102 -2.899 -2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.082 -4.225 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.033 -2.807 -2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.087 -1.363 -2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.270 -3.624 -4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.445 -2.325 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.335 -0.749 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.493 -2.175 -4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.324 -0.852 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.100 -2.362 -6.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.915 -0.980 -6.250 1.00 0.00 H new ATOM 1469 N THR A 98 -13.715 -4.992 0.313 1.00 0.00 N ATOM 1470 CA THR A 98 -14.301 -5.981 1.210 1.00 0.00 C ATOM 1471 C THR A 98 -13.961 -5.674 2.664 1.00 0.00 C ATOM 1472 O THR A 98 -14.700 -6.046 3.575 1.00 0.00 O ATOM 1473 CB THR A 98 -13.817 -7.403 0.870 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.407 -7.508 1.098 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.129 -7.749 -0.578 1.00 0.00 C ATOM 0 H THR A 98 -12.917 -5.331 -0.225 1.00 0.00 H new ATOM 0 HA THR A 98 -15.381 -5.931 1.074 1.00 0.00 H new ATOM 0 HB THR A 98 -14.342 -8.106 1.516 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.004 -6.615 1.074 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.778 -8.758 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.206 -7.697 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.627 -7.041 -1.238 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.840 -4.993 2.874 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.404 -4.634 4.218 1.00 0.00 C ATOM 1485 C ALA A 99 -13.347 -3.614 4.847 1.00 0.00 C ATOM 1486 O ALA A 99 -14.021 -2.848 4.158 1.00 0.00 O ATOM 1487 CB ALA A 99 -10.983 -4.091 4.184 1.00 0.00 C ATOM 0 H ALA A 99 -12.217 -4.678 2.130 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.423 -5.534 4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.670 -3.827 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.312 -4.851 3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.947 -3.205 3.550 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.399 -3.603 6.187 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.257 -2.682 6.938 1.00 0.00 C ATOM 1495 C PRO A 100 -13.777 -1.238 6.847 1.00 0.00 C ATOM 1496 O PRO A 100 -12.685 -0.967 6.348 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.150 -3.191 8.378 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.835 -3.889 8.435 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.624 -4.488 7.072 1.00 0.00 C ATOM 0 HA PRO A 100 -15.276 -2.668 6.551 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.194 -2.369 9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.969 -3.868 8.621 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.034 -3.193 8.683 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.836 -4.661 9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.569 -4.505 6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -12.982 -5.517 7.025 1.00 0.00 H new ATOM 1507 N SER A 101 -14.600 -0.314 7.332 1.00 0.00 N ATOM 1508 CA SER A 101 -14.261 1.104 7.302 1.00 0.00 C ATOM 1509 C SER A 101 -12.777 1.314 7.591 1.00 0.00 C ATOM 1510 O SER A 101 -12.028 1.791 6.738 1.00 0.00 O ATOM 1511 CB SER A 101 -15.104 1.874 8.321 1.00 0.00 C ATOM 1512 OG SER A 101 -16.438 2.027 7.867 1.00 0.00 O ATOM 0 H SER A 101 -15.507 -0.522 7.751 1.00 0.00 H new ATOM 0 HA SER A 101 -14.477 1.482 6.303 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.099 1.346 9.275 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.662 2.855 8.497 1.00 0.00 H new ATOM 0 HG SER A 101 -16.957 2.520 8.536 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.359 0.953 8.799 1.00 0.00 N ATOM 1519 CA LYS A 102 -10.966 1.099 9.203 1.00 0.00 C ATOM 1520 C LYS A 102 -10.110 -0.021 8.620 1.00 0.00 C ATOM 1521 O LYS A 102 -10.315 -1.195 8.926 1.00 0.00 O ATOM 1522 CB LYS A 102 -10.853 1.100 10.729 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.570 1.730 11.244 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.765 2.350 12.617 1.00 0.00 C ATOM 1525 CE LYS A 102 -10.259 3.786 12.516 1.00 0.00 C ATOM 1526 NZ LYS A 102 -11.743 3.856 12.412 1.00 0.00 N ATOM 0 H LYS A 102 -12.966 0.557 9.516 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.600 2.051 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.705 1.636 11.148 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.914 0.073 11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.787 0.974 11.293 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.232 2.494 10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.481 1.757 13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.823 2.326 13.165 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.929 4.346 13.391 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.811 4.264 11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.067 4.802 12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.031 3.674 11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.169 3.141 13.036 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.150 0.351 7.779 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.261 -0.623 7.156 1.00 0.00 C ATOM 1542 C VAL A 103 -6.800 -0.284 7.426 1.00 0.00 C ATOM 1543 O VAL A 103 -6.393 0.875 7.345 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.487 -0.694 5.634 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.722 -1.865 5.035 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -9.972 -0.801 5.320 1.00 0.00 C ATOM 0 H VAL A 103 -8.968 1.319 7.514 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.493 -1.592 7.597 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.109 0.225 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.894 -1.899 3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.657 -1.741 5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.067 -2.795 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.113 -0.850 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.377 -1.702 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.491 0.073 5.714 1.00 0.00 H new ATOM 1556 N LYS A 104 -6.012 -1.305 7.748 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.593 -1.118 8.029 1.00 0.00 C ATOM 1558 C LYS A 104 -3.756 -1.339 6.773 1.00 0.00 C ATOM 1559 O LYS A 104 -3.760 -2.427 6.195 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.140 -2.077 9.132 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.669 -1.946 9.485 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.272 -2.913 10.589 1.00 0.00 C ATOM 1563 CE LYS A 104 -0.761 -3.019 10.720 1.00 0.00 C ATOM 1564 NZ LYS A 104 -0.340 -4.356 11.223 1.00 0.00 N ATOM 0 H LYS A 104 -6.332 -2.271 7.821 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.447 -0.092 8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.737 -1.897 10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.339 -3.101 8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.063 -2.135 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.460 -0.924 9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.698 -2.581 11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.690 -3.898 10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.299 -2.834 9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.400 -2.246 11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.627 -4.296 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.988 -4.663 11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.365 -5.044 10.443 1.00 0.00 H new ATOM 1578 N LEU A 105 -3.038 -0.302 6.356 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.194 -0.384 5.169 1.00 0.00 C ATOM 1580 C LEU A 105 -0.717 -0.357 5.548 1.00 0.00 C ATOM 1581 O LEU A 105 -0.254 0.567 6.218 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.508 0.770 4.215 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.973 0.917 3.799 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.297 2.370 3.491 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.277 0.034 2.598 1.00 0.00 C ATOM 0 H LEU A 105 -3.023 0.605 6.822 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.405 -1.329 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.189 1.700 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.906 0.645 3.315 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.601 0.595 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.343 2.455 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.119 2.978 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.662 2.720 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.323 0.151 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.641 0.325 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.085 -1.008 2.854 1.00 0.00 H new ATOM 1597 N VAL A 106 0.019 -1.375 5.114 1.00 0.00 N ATOM 1598 CA VAL A 106 1.445 -1.467 5.405 1.00 0.00 C ATOM 1599 C VAL A 106 2.277 -1.286 4.140 1.00 0.00 C ATOM 1600 O VAL A 106 2.417 -2.210 3.339 1.00 0.00 O ATOM 1601 CB VAL A 106 1.800 -2.819 6.051 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.297 -2.912 6.306 1.00 0.00 C ATOM 1603 CG2 VAL A 106 1.018 -3.014 7.342 1.00 0.00 C ATOM 0 H VAL A 106 -0.349 -2.148 4.559 1.00 0.00 H new ATOM 0 HA VAL A 106 1.677 -0.666 6.107 1.00 0.00 H new ATOM 0 HB VAL A 106 1.523 -3.616 5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.529 -3.874 6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.833 -2.820 5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.602 -2.109 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.281 -3.974 7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.262 -2.213 8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.050 -2.994 7.127 1.00 0.00 H new ATOM 1613 N PHE A 107 2.828 -0.089 3.967 1.00 0.00 N ATOM 1614 CA PHE A 107 3.646 0.213 2.799 1.00 0.00 C ATOM 1615 C PHE A 107 5.013 0.749 3.216 1.00 0.00 C ATOM 1616 O PHE A 107 5.279 0.944 4.402 1.00 0.00 O ATOM 1617 CB PHE A 107 2.938 1.233 1.904 1.00 0.00 C ATOM 1618 CG PHE A 107 2.836 2.600 2.517 1.00 0.00 C ATOM 1619 CD1 PHE A 107 3.925 3.457 2.517 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.651 3.028 3.093 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.833 4.715 3.081 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.553 4.286 3.658 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.646 5.131 3.652 1.00 0.00 C ATOM 0 H PHE A 107 2.723 0.687 4.621 1.00 0.00 H new ATOM 0 HA PHE A 107 3.792 -0.711 2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.473 1.307 0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 107 1.936 0.870 1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.856 3.138 2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.794 2.371 3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.689 5.373 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.623 4.608 4.103 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.573 6.114 4.093 1.00 0.00 H new ATOM 1633 N ILE A 108 5.875 0.984 2.233 1.00 0.00 N ATOM 1634 CA ILE A 108 7.213 1.497 2.497 1.00 0.00 C ATOM 1635 C ILE A 108 7.389 2.897 1.919 1.00 0.00 C ATOM 1636 O ILE A 108 6.743 3.260 0.936 1.00 0.00 O ATOM 1637 CB ILE A 108 8.297 0.572 1.911 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.690 1.075 2.297 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.159 0.487 0.399 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.715 -0.030 2.428 1.00 0.00 C ATOM 0 H ILE A 108 5.671 0.827 1.246 1.00 0.00 H new ATOM 0 HA ILE A 108 7.327 1.536 3.580 1.00 0.00 H new ATOM 0 HB ILE A 108 8.164 -0.427 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.031 1.789 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.624 1.613 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.932 -0.170 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.177 0.088 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.270 1.482 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.679 0.398 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.397 -0.732 3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.809 -0.554 1.477 1.00 0.00 H new ATOM 1652 N ARG A 109 8.269 3.680 2.535 1.00 0.00 N ATOM 1653 CA ARG A 109 8.531 5.040 2.082 1.00 0.00 C ATOM 1654 C ARG A 109 9.917 5.146 1.451 1.00 0.00 C ATOM 1655 O ARG A 109 10.926 5.197 2.152 1.00 0.00 O ATOM 1656 CB ARG A 109 8.415 6.021 3.250 1.00 0.00 C ATOM 1657 CG ARG A 109 8.417 7.480 2.822 1.00 0.00 C ATOM 1658 CD ARG A 109 7.646 8.349 3.804 1.00 0.00 C ATOM 1659 NE ARG A 109 7.158 9.577 3.181 1.00 0.00 N ATOM 1660 CZ ARG A 109 7.882 10.685 3.074 1.00 0.00 C ATOM 1661 NH1 ARG A 109 9.121 10.719 3.545 1.00 0.00 N ATOM 1662 NH2 ARG A 109 7.368 11.762 2.494 1.00 0.00 N ATOM 0 H ARG A 109 8.813 3.395 3.350 1.00 0.00 H new ATOM 0 HA ARG A 109 7.786 5.294 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.496 5.813 3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.242 5.852 3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.444 7.837 2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.975 7.570 1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.803 7.785 4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.289 8.601 4.648 1.00 0.00 H new ATOM 0 HE ARG A 109 6.209 9.584 2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.520 9.893 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.675 11.571 3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 109 6.416 11.740 2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 109 7.925 12.612 2.413 1.00 0.00 H new ATOM 1676 N ASN A 110 9.956 5.177 0.123 1.00 0.00 N ATOM 1677 CA ASN A 110 11.217 5.275 -0.603 1.00 0.00 C ATOM 1678 C ASN A 110 11.117 6.296 -1.733 1.00 0.00 C ATOM 1679 O ASN A 110 10.434 6.066 -2.730 1.00 0.00 O ATOM 1680 CB ASN A 110 11.612 3.909 -1.168 1.00 0.00 C ATOM 1681 CG ASN A 110 13.071 3.854 -1.580 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.783 4.856 -1.518 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.521 2.679 -2.005 1.00 0.00 N ATOM 0 H ASN A 110 9.129 5.136 -0.472 1.00 0.00 H new ATOM 0 HA ASN A 110 11.985 5.607 0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.419 3.140 -0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.985 3.680 -2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.493 2.581 -2.297 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.894 1.875 -2.040 1.00 0.00 H new ATOM 1690 N GLU A 111 11.803 7.422 -1.568 1.00 0.00 N ATOM 1691 CA GLU A 111 11.791 8.478 -2.574 1.00 0.00 C ATOM 1692 C GLU A 111 12.339 7.968 -3.904 1.00 0.00 C ATOM 1693 O GLU A 111 12.152 8.596 -4.946 1.00 0.00 O ATOM 1694 CB GLU A 111 12.613 9.677 -2.098 1.00 0.00 C ATOM 1695 CG GLU A 111 14.113 9.439 -2.133 1.00 0.00 C ATOM 1696 CD GLU A 111 14.575 8.468 -1.063 1.00 0.00 C ATOM 1697 OE1 GLU A 111 14.247 8.691 0.121 1.00 0.00 O ATOM 1698 OE2 GLU A 111 15.264 7.486 -1.410 1.00 0.00 O ATOM 0 H GLU A 111 12.374 7.627 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 111 10.758 8.791 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.376 10.540 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 111 12.317 9.928 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.393 9.054 -3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.631 10.389 -2.004 1.00 0.00 H new ATOM 1705 N ASP A 112 13.015 6.825 -3.859 1.00 0.00 N ATOM 1706 CA ASP A 112 13.590 6.230 -5.060 1.00 0.00 C ATOM 1707 C ASP A 112 12.548 5.407 -5.811 1.00 0.00 C ATOM 1708 O ASP A 112 12.597 5.294 -7.035 1.00 0.00 O ATOM 1709 CB ASP A 112 14.787 5.349 -4.695 1.00 0.00 C ATOM 1710 CG ASP A 112 15.959 6.154 -4.171 1.00 0.00 C ATOM 1711 OD1 ASP A 112 16.080 7.339 -4.546 1.00 0.00 O ATOM 1712 OD2 ASP A 112 16.757 5.600 -3.386 1.00 0.00 O ATOM 0 H ASP A 112 13.178 6.292 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 112 13.927 7.037 -5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 112 14.483 4.622 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 112 15.101 4.785 -5.573 1.00 0.00 H new ATOM 1717 N ALA A 113 11.606 4.835 -5.069 1.00 0.00 N ATOM 1718 CA ALA A 113 10.552 4.023 -5.665 1.00 0.00 C ATOM 1719 C ALA A 113 9.905 4.743 -6.843 1.00 0.00 C ATOM 1720 O ALA A 113 9.537 4.119 -7.838 1.00 0.00 O ATOM 1721 CB ALA A 113 9.504 3.670 -4.620 1.00 0.00 C ATOM 0 H ALA A 113 11.551 4.919 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 113 11.002 3.103 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.723 3.064 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.971 3.109 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.066 4.585 -4.221 1.00 0.00 H new ATOM 1727 N VAL A 114 9.769 6.060 -6.724 1.00 0.00 N ATOM 1728 CA VAL A 114 9.167 6.865 -7.780 1.00 0.00 C ATOM 1729 C VAL A 114 9.652 6.420 -9.155 1.00 0.00 C ATOM 1730 O VAL A 114 8.939 6.551 -10.148 1.00 0.00 O ATOM 1731 CB VAL A 114 9.484 8.361 -7.595 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.815 8.898 -6.340 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.988 8.584 -7.545 1.00 0.00 C ATOM 0 H VAL A 114 10.068 6.592 -5.907 1.00 0.00 H new ATOM 0 HA VAL A 114 8.089 6.719 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 114 9.087 8.907 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 114 9.051 9.956 -6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.735 8.773 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.179 8.350 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.194 9.646 -7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.411 8.026 -6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.438 8.239 -8.476 1.00 0.00 H new ATOM 1743 N ASN A 115 10.871 5.891 -9.204 1.00 0.00 N ATOM 1744 CA ASN A 115 11.452 5.426 -10.458 1.00 0.00 C ATOM 1745 C ASN A 115 11.079 3.970 -10.723 1.00 0.00 C ATOM 1746 O ASN A 115 10.816 3.585 -11.862 1.00 0.00 O ATOM 1747 CB ASN A 115 12.974 5.576 -10.425 1.00 0.00 C ATOM 1748 CG ASN A 115 13.648 4.465 -9.643 1.00 0.00 C ATOM 1749 OD1 ASN A 115 13.485 3.285 -9.955 1.00 0.00 O ATOM 1750 ND2 ASN A 115 14.410 4.839 -8.622 1.00 0.00 N ATOM 0 H ASN A 115 11.475 5.774 -8.390 1.00 0.00 H new ATOM 0 HA ASN A 115 11.050 6.038 -11.265 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.358 5.583 -11.445 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.232 6.537 -9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.890 4.136 -8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 115 14.516 5.829 -8.400 1.00 0.00 H new ATOM 1757 N GLN A 116 11.058 3.168 -9.663 1.00 0.00 N ATOM 1758 CA GLN A 116 10.717 1.755 -9.782 1.00 0.00 C ATOM 1759 C GLN A 116 9.264 1.580 -10.210 1.00 0.00 C ATOM 1760 O GLN A 116 8.934 0.662 -10.961 1.00 0.00 O ATOM 1761 CB GLN A 116 10.961 1.037 -8.454 1.00 0.00 C ATOM 1762 CG GLN A 116 12.413 1.065 -8.004 1.00 0.00 C ATOM 1763 CD GLN A 116 12.564 0.869 -6.509 1.00 0.00 C ATOM 1764 OE1 GLN A 116 12.964 1.925 -5.810 1.00 0.00 O flip ATOM 1765 NE2 GLN A 116 12.324 -0.220 -5.986 1.00 0.00 N flip ATOM 0 H GLN A 116 11.273 3.472 -8.713 1.00 0.00 H new ATOM 0 HA GLN A 116 11.357 1.315 -10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.342 1.496 -7.683 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.638 0.000 -8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.967 0.285 -8.527 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.859 2.018 -8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 116 12.019 -1.006 -6.561 1.00 0.00 H new ATOM 0 HE22 GLN A 116 12.430 -0.336 -4.978 1.00 0.00 H new ATOM 1774 N MET A 117 8.399 2.466 -9.727 1.00 0.00 N ATOM 1775 CA MET A 117 6.981 2.409 -10.060 1.00 0.00 C ATOM 1776 C MET A 117 6.732 2.937 -11.470 1.00 0.00 C ATOM 1777 O MET A 117 7.345 3.916 -11.893 1.00 0.00 O ATOM 1778 CB MET A 117 6.164 3.216 -9.049 1.00 0.00 C ATOM 1779 CG MET A 117 6.589 4.672 -8.948 1.00 0.00 C ATOM 1780 SD MET A 117 5.696 5.737 -10.095 1.00 0.00 S ATOM 1781 CE MET A 117 5.327 7.137 -9.040 1.00 0.00 C ATOM 0 H MET A 117 8.656 3.232 -9.104 1.00 0.00 H new ATOM 0 HA MET A 117 6.666 1.366 -10.020 1.00 0.00 H new ATOM 0 HB2 MET A 117 5.111 3.172 -9.327 1.00 0.00 H new ATOM 0 HB3 MET A 117 6.254 2.751 -8.067 1.00 0.00 H new ATOM 0 HG2 MET A 117 6.426 5.024 -7.929 1.00 0.00 H new ATOM 0 HG3 MET A 117 7.658 4.749 -9.145 1.00 0.00 H new ATOM 0 HE1 MET A 117 4.478 7.686 -9.447 1.00 0.00 H new ATOM 0 HE2 MET A 117 5.084 6.783 -8.038 1.00 0.00 H new ATOM 0 HE3 MET A 117 6.195 7.795 -8.992 1.00 0.00 H new ATOM 1791 N ALA A 118 5.829 2.282 -12.192 1.00 0.00 N ATOM 1792 CA ALA A 118 5.498 2.687 -13.552 1.00 0.00 C ATOM 1793 C ALA A 118 4.546 3.878 -13.554 1.00 0.00 C ATOM 1794 O ALA A 118 4.198 4.409 -12.499 1.00 0.00 O ATOM 1795 CB ALA A 118 4.890 1.521 -14.317 1.00 0.00 C ATOM 0 H ALA A 118 5.313 1.468 -11.857 1.00 0.00 H new ATOM 0 HA ALA A 118 6.419 2.991 -14.048 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.648 1.838 -15.331 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.604 0.699 -14.355 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.982 1.190 -13.814 1.00 0.00 H new ATOM 1801 N SER A 119 4.129 4.294 -14.746 1.00 0.00 N ATOM 1802 CA SER A 119 3.220 5.426 -14.885 1.00 0.00 C ATOM 1803 C SER A 119 2.108 5.111 -15.881 1.00 0.00 C ATOM 1804 O SER A 119 2.279 5.267 -17.089 1.00 0.00 O ATOM 1805 CB SER A 119 3.987 6.670 -15.337 1.00 0.00 C ATOM 1806 OG SER A 119 4.595 6.464 -16.600 1.00 0.00 O ATOM 0 H SER A 119 4.406 3.864 -15.629 1.00 0.00 H new ATOM 0 HA SER A 119 2.768 5.619 -13.912 1.00 0.00 H new ATOM 0 HB2 SER A 119 3.307 7.520 -15.392 1.00 0.00 H new ATOM 0 HB3 SER A 119 4.750 6.919 -14.599 1.00 0.00 H new ATOM 0 HG SER A 119 3.979 5.974 -17.184 1.00 0.00 H new ATOM 1812 N GLY A 120 0.967 4.665 -15.363 1.00 0.00 N ATOM 1813 CA GLY A 120 -0.157 4.334 -16.219 1.00 0.00 C ATOM 1814 C GLY A 120 -1.133 3.384 -15.554 1.00 0.00 C ATOM 1815 O GLY A 120 -0.999 2.163 -15.639 1.00 0.00 O ATOM 0 H GLY A 120 0.801 4.527 -14.366 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.679 5.249 -16.498 1.00 0.00 H new ATOM 0 HA3 GLY A 120 0.212 3.884 -17.141 1.00 0.00 H new ATOM 1819 N PRO A 121 -2.141 3.947 -14.872 1.00 0.00 N ATOM 1820 CA PRO A 121 -3.162 3.159 -14.175 1.00 0.00 C ATOM 1821 C PRO A 121 -4.092 2.431 -15.140 1.00 0.00 C ATOM 1822 O PRO A 121 -5.036 1.762 -14.721 1.00 0.00 O ATOM 1823 CB PRO A 121 -3.937 4.210 -13.376 1.00 0.00 C ATOM 1824 CG PRO A 121 -3.739 5.480 -14.129 1.00 0.00 C ATOM 1825 CD PRO A 121 -2.362 5.395 -14.729 1.00 0.00 C ATOM 0 HA PRO A 121 -2.721 2.375 -13.559 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.994 3.953 -13.304 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -3.559 4.291 -12.357 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.496 5.596 -14.904 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -3.824 6.343 -13.468 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -2.310 5.906 -15.690 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.613 5.854 -14.083 1.00 0.00 H new ATOM 1833 N SER A 122 -3.817 2.565 -16.434 1.00 0.00 N ATOM 1834 CA SER A 122 -4.631 1.923 -17.459 1.00 0.00 C ATOM 1835 C SER A 122 -3.762 1.103 -18.407 1.00 0.00 C ATOM 1836 O SER A 122 -2.649 1.501 -18.748 1.00 0.00 O ATOM 1837 CB SER A 122 -5.417 2.972 -18.247 1.00 0.00 C ATOM 1838 OG SER A 122 -6.589 3.361 -17.551 1.00 0.00 O ATOM 0 H SER A 122 -3.037 3.112 -16.797 1.00 0.00 H new ATOM 0 HA SER A 122 -5.332 1.251 -16.964 1.00 0.00 H new ATOM 0 HB2 SER A 122 -4.789 3.845 -18.423 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.687 2.571 -19.224 1.00 0.00 H new ATOM 0 HG SER A 122 -7.073 4.033 -18.075 1.00 0.00 H new ATOM 1844 N SER A 123 -4.280 -0.046 -18.830 1.00 0.00 N ATOM 1845 CA SER A 123 -3.552 -0.926 -19.736 1.00 0.00 C ATOM 1846 C SER A 123 -4.503 -1.602 -20.719 1.00 0.00 C ATOM 1847 O SER A 123 -5.678 -1.809 -20.420 1.00 0.00 O ATOM 1848 CB SER A 123 -2.782 -1.985 -18.944 1.00 0.00 C ATOM 1849 OG SER A 123 -1.729 -1.398 -18.199 1.00 0.00 O ATOM 0 H SER A 123 -5.202 -0.389 -18.559 1.00 0.00 H new ATOM 0 HA SER A 123 -2.845 -0.319 -20.301 1.00 0.00 H new ATOM 0 HB2 SER A 123 -3.462 -2.506 -18.270 1.00 0.00 H new ATOM 0 HB3 SER A 123 -2.377 -2.731 -19.627 1.00 0.00 H new ATOM 0 HG SER A 123 -1.253 -2.095 -17.700 1.00 0.00 H new ATOM 1855 N GLY A 124 -3.984 -1.945 -21.894 1.00 0.00 N ATOM 1856 CA GLY A 124 -4.800 -2.593 -22.904 1.00 0.00 C ATOM 1857 C GLY A 124 -5.341 -3.931 -22.441 1.00 0.00 C ATOM 1858 O GLY A 124 -4.656 -4.676 -21.740 1.00 0.00 O ATOM 0 H GLY A 124 -3.013 -1.786 -22.164 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -5.632 -1.940 -23.169 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.208 -2.737 -23.808 1.00 0.00 H new TER 1862 GLY A 124