USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 890 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 109 TYR OH : rot 58:sc= 0.457 USER MOD Set 1.2: A 129 GLN : amide:sc= 0.423 K(o=0.88,f=-1.4!) USER MOD Set 2.1: A 103 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 27 LYS NZ :NH3+ -146:sc= 0.554 (180deg=0.0235) USER MOD Set 3.2: A 80 TYR OH : rot -37:sc= -0.336 USER MOD Set 4.1: A 53 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 25 ASN : amide:sc= 0.128 K(o=0.55,f=-3.2!) USER MOD Set 5.2: A 42 SER OG : rot -75:sc= -0.218 USER MOD Set 5.3: A 44 THR OG1 : rot -18:sc= 0.64 USER MOD Set 6.1: A 17 GLN : amide:sc= -1.56 X(o=-1.5,f=-1.5) USER MOD Set 6.2: A 48 LYS NZ :NH3+ 153:sc= 0.0403 (180deg=0) USER MOD Set 7.1: A 12 SER OG : rot 160:sc= -0.932 USER MOD Set 7.2: A 21 MET CE :methyl -139:sc= -0.192 (180deg=-1.6) USER MOD Single : A 2 THR OG1 : rot -35:sc= 0.117 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00328 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.899 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl -154:sc= -0.227 (180deg=-1.64!) USER MOD Single : A 19 ASN : amide:sc= -0.0753 K(o=-0.075,f=-1.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -3.17 K(o=-3.2,f=-17!) USER MOD Single : A 35 SER OG : rot 42:sc= 0.238 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.3!) USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.0283 (180deg=-0.731) USER MOD Single : A 60 ASN : amide:sc= -0.209 K(o=-0.21,f=-3.3!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 14:sc= 0.983 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.9!) USER MOD Single : A 78 SER OG : rot 25:sc= -0.705 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -28:sc= 0.551 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 4:sc= 0.0342 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 144:sc= 1.07 USER MOD Single : A 114 GLN : amide:sc= -0.752 K(o=-0.75,f=-3!) USER MOD Single : A 116 ASN : amide:sc= -9.89! C(o=-9.9!,f=-9.5!) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= -1.68 USER MOD Single : A 134 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 139 THR OG1 : rot 93:sc= 0.953 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 2 123.960 -18.701 1.419 1.00 0.00 N ATOM 2 CA THR A 2 123.640 -18.397 -0.008 1.00 0.00 C ATOM 3 C THR A 2 123.570 -16.881 -0.219 1.00 0.00 C ATOM 4 O THR A 2 123.449 -16.122 0.724 1.00 0.00 O ATOM 5 CB THR A 2 122.272 -19.039 -0.262 1.00 0.00 C ATOM 6 OG1 THR A 2 121.293 -18.396 0.545 1.00 0.00 O ATOM 7 CG2 THR A 2 122.321 -20.531 0.080 1.00 0.00 C ATOM 0 HA THR A 2 124.398 -18.781 -0.690 1.00 0.00 H new ATOM 0 HB THR A 2 122.012 -18.925 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 2 121.693 -18.138 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 2 121.344 -20.979 -0.104 1.00 0.00 H new ATOM 0 HG22 THR A 2 123.068 -21.023 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 2 122.585 -20.655 1.130 1.00 0.00 H new ATOM 15 N SER A 3 123.640 -16.437 -1.447 1.00 0.00 N ATOM 16 CA SER A 3 123.571 -14.970 -1.719 1.00 0.00 C ATOM 17 C SER A 3 122.435 -14.680 -2.698 1.00 0.00 C ATOM 18 O SER A 3 122.246 -15.392 -3.666 1.00 0.00 O ATOM 19 CB SER A 3 124.921 -14.618 -2.341 1.00 0.00 C ATOM 20 OG SER A 3 124.993 -13.212 -2.540 1.00 0.00 O ATOM 0 H SER A 3 123.742 -17.026 -2.273 1.00 0.00 H new ATOM 0 HA SER A 3 123.377 -14.386 -0.819 1.00 0.00 H new ATOM 0 HB2 SER A 3 125.731 -14.947 -1.690 1.00 0.00 H new ATOM 0 HB3 SER A 3 125.044 -15.138 -3.291 1.00 0.00 H new ATOM 0 HG SER A 3 125.859 -12.982 -2.937 1.00 0.00 H new ATOM 25 N THR A 4 121.676 -13.644 -2.460 1.00 0.00 N ATOM 26 CA THR A 4 120.552 -13.316 -3.384 1.00 0.00 C ATOM 27 C THR A 4 120.481 -11.806 -3.640 1.00 0.00 C ATOM 28 O THR A 4 120.754 -11.001 -2.771 1.00 0.00 O ATOM 29 CB THR A 4 119.299 -13.802 -2.659 1.00 0.00 C ATOM 30 OG1 THR A 4 119.435 -15.184 -2.356 1.00 0.00 O ATOM 31 CG2 THR A 4 118.070 -13.590 -3.545 1.00 0.00 C ATOM 0 H THR A 4 121.785 -13.012 -1.667 1.00 0.00 H new ATOM 0 HA THR A 4 120.671 -13.786 -4.360 1.00 0.00 H new ATOM 0 HB THR A 4 119.175 -13.236 -1.736 1.00 0.00 H new ATOM 0 HG1 THR A 4 118.632 -15.497 -1.889 1.00 0.00 H new ATOM 0 HG21 THR A 4 117.180 -13.939 -3.022 1.00 0.00 H new ATOM 0 HG22 THR A 4 117.965 -12.529 -3.773 1.00 0.00 H new ATOM 0 HG23 THR A 4 118.189 -14.151 -4.472 1.00 0.00 H new ATOM 39 N VAL A 5 120.102 -11.426 -4.830 1.00 0.00 N ATOM 40 CA VAL A 5 119.992 -9.974 -5.163 1.00 0.00 C ATOM 41 C VAL A 5 118.596 -9.676 -5.720 1.00 0.00 C ATOM 42 O VAL A 5 118.047 -10.452 -6.476 1.00 0.00 O ATOM 43 CB VAL A 5 121.076 -9.723 -6.217 1.00 0.00 C ATOM 44 CG1 VAL A 5 120.814 -10.586 -7.453 1.00 0.00 C ATOM 45 CG2 VAL A 5 121.065 -8.245 -6.618 1.00 0.00 C ATOM 0 H VAL A 5 119.862 -12.061 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 5 120.129 -9.330 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 5 122.048 -9.983 -5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 5 121.589 -10.401 -8.197 1.00 0.00 H new ATOM 0 HG12 VAL A 5 120.826 -11.639 -7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 5 119.840 -10.334 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 5 121.836 -8.066 -7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 5 120.090 -7.987 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 5 121.262 -7.629 -5.741 1.00 0.00 H new ATOM 55 N THR A 6 118.018 -8.560 -5.353 1.00 0.00 N ATOM 56 CA THR A 6 116.657 -8.220 -5.866 1.00 0.00 C ATOM 57 C THR A 6 116.426 -6.706 -5.811 1.00 0.00 C ATOM 58 O THR A 6 116.653 -6.077 -4.795 1.00 0.00 O ATOM 59 CB THR A 6 115.691 -8.942 -4.924 1.00 0.00 C ATOM 60 OG1 THR A 6 115.980 -10.334 -4.930 1.00 0.00 O ATOM 61 CG2 THR A 6 114.250 -8.716 -5.384 1.00 0.00 C ATOM 0 H THR A 6 118.429 -7.872 -4.722 1.00 0.00 H new ATOM 0 HA THR A 6 116.522 -8.521 -6.905 1.00 0.00 H new ATOM 0 HB THR A 6 115.809 -8.548 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 6 115.364 -10.799 -4.326 1.00 0.00 H new ATOM 0 HG21 THR A 6 113.567 -9.233 -4.709 1.00 0.00 H new ATOM 0 HG22 THR A 6 114.029 -7.649 -5.377 1.00 0.00 H new ATOM 0 HG23 THR A 6 114.125 -9.105 -6.394 1.00 0.00 H new ATOM 69 N GLY A 7 115.969 -6.116 -6.888 1.00 0.00 N ATOM 70 CA GLY A 7 115.716 -4.643 -6.884 1.00 0.00 C ATOM 71 C GLY A 7 114.571 -4.336 -7.851 1.00 0.00 C ATOM 72 O GLY A 7 114.290 -5.116 -8.739 1.00 0.00 O ATOM 0 H GLY A 7 115.761 -6.590 -7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 115.461 -4.307 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 7 116.616 -4.105 -7.182 1.00 0.00 H new ATOM 75 N GLY A 8 113.905 -3.216 -7.694 1.00 0.00 N ATOM 76 CA GLY A 8 112.775 -2.895 -8.619 1.00 0.00 C ATOM 77 C GLY A 8 112.370 -1.423 -8.487 1.00 0.00 C ATOM 78 O GLY A 8 113.061 -0.626 -7.882 1.00 0.00 O ATOM 0 H GLY A 8 114.093 -2.519 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 8 113.069 -3.106 -9.647 1.00 0.00 H new ATOM 0 HA3 GLY A 8 111.921 -3.534 -8.394 1.00 0.00 H new ATOM 81 N TYR A 9 111.247 -1.064 -9.060 1.00 0.00 N ATOM 82 CA TYR A 9 110.772 0.354 -8.987 1.00 0.00 C ATOM 83 C TYR A 9 109.367 0.392 -8.377 1.00 0.00 C ATOM 84 O TYR A 9 108.626 -0.570 -8.463 1.00 0.00 O ATOM 85 CB TYR A 9 110.740 0.845 -10.438 1.00 0.00 C ATOM 86 CG TYR A 9 112.107 0.686 -11.064 1.00 0.00 C ATOM 87 CD1 TYR A 9 113.119 1.611 -10.782 1.00 0.00 C ATOM 88 CD2 TYR A 9 112.360 -0.387 -11.926 1.00 0.00 C ATOM 89 CE1 TYR A 9 114.385 1.462 -11.363 1.00 0.00 C ATOM 90 CE2 TYR A 9 113.625 -0.537 -12.506 1.00 0.00 C ATOM 91 CZ TYR A 9 114.637 0.388 -12.225 1.00 0.00 C ATOM 92 OH TYR A 9 115.884 0.242 -12.797 1.00 0.00 O ATOM 0 H TYR A 9 110.636 -1.695 -9.578 1.00 0.00 H new ATOM 0 HA TYR A 9 111.416 0.978 -8.367 1.00 0.00 H new ATOM 0 HB2 TYR A 9 110.002 0.279 -11.007 1.00 0.00 H new ATOM 0 HB3 TYR A 9 110.435 1.891 -10.471 1.00 0.00 H new ATOM 0 HD1 TYR A 9 112.924 2.439 -10.117 1.00 0.00 H new ATOM 0 HD2 TYR A 9 111.579 -1.100 -12.144 1.00 0.00 H new ATOM 0 HE1 TYR A 9 115.166 2.175 -11.146 1.00 0.00 H new ATOM 0 HE2 TYR A 9 113.820 -1.366 -13.170 1.00 0.00 H new ATOM 0 HH TYR A 9 115.891 -0.555 -13.367 1.00 0.00 H new ATOM 101 N ALA A 10 108.989 1.485 -7.756 1.00 0.00 N ATOM 102 CA ALA A 10 107.628 1.546 -7.144 1.00 0.00 C ATOM 103 C ALA A 10 107.041 2.959 -7.221 1.00 0.00 C ATOM 104 O ALA A 10 107.757 3.941 -7.257 1.00 0.00 O ATOM 105 CB ALA A 10 107.839 1.139 -5.686 1.00 0.00 C ATOM 0 H ALA A 10 109.557 2.325 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 10 106.925 0.897 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 10 106.884 1.157 -5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.256 0.133 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.528 1.836 -5.210 1.00 0.00 H new ATOM 111 N GLN A 11 105.736 3.061 -7.217 1.00 0.00 N ATOM 112 CA GLN A 11 105.078 4.401 -7.258 1.00 0.00 C ATOM 113 C GLN A 11 104.679 4.787 -5.834 1.00 0.00 C ATOM 114 O GLN A 11 104.323 3.939 -5.040 1.00 0.00 O ATOM 115 CB GLN A 11 103.842 4.215 -8.139 1.00 0.00 C ATOM 116 CG GLN A 11 104.276 3.830 -9.554 1.00 0.00 C ATOM 117 CD GLN A 11 103.041 3.601 -10.428 1.00 0.00 C ATOM 118 OE1 GLN A 11 101.951 3.405 -9.925 1.00 0.00 O ATOM 119 NE2 GLN A 11 103.164 3.619 -11.727 1.00 0.00 N ATOM 0 H GLN A 11 105.095 2.268 -7.187 1.00 0.00 H new ATOM 0 HA GLN A 11 105.723 5.187 -7.651 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.198 3.441 -7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 11 103.259 5.135 -8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.895 4.618 -9.982 1.00 0.00 H new ATOM 0 HG3 GLN A 11 104.885 2.927 -9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 11 104.077 3.783 -12.151 1.00 0.00 H new ATOM 0 HE22 GLN A 11 102.347 3.469 -12.319 1.00 0.00 H new ATOM 126 N SER A 12 104.758 6.045 -5.486 1.00 0.00 N ATOM 127 CA SER A 12 104.409 6.440 -4.089 1.00 0.00 C ATOM 128 C SER A 12 103.136 7.289 -4.026 1.00 0.00 C ATOM 129 O SER A 12 102.958 8.233 -4.771 1.00 0.00 O ATOM 130 CB SER A 12 105.608 7.254 -3.608 1.00 0.00 C ATOM 131 OG SER A 12 105.448 7.557 -2.228 1.00 0.00 O ATOM 0 H SER A 12 105.045 6.807 -6.100 1.00 0.00 H new ATOM 0 HA SER A 12 104.209 5.564 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 12 106.529 6.693 -3.764 1.00 0.00 H new ATOM 0 HB3 SER A 12 105.693 8.174 -4.186 1.00 0.00 H new ATOM 0 HG SER A 12 106.319 7.784 -1.840 1.00 0.00 H new ATOM 136 N ASP A 13 102.274 6.964 -3.100 1.00 0.00 N ATOM 137 CA ASP A 13 101.014 7.735 -2.902 1.00 0.00 C ATOM 138 C ASP A 13 100.819 7.887 -1.395 1.00 0.00 C ATOM 139 O ASP A 13 100.827 6.911 -0.677 1.00 0.00 O ATOM 140 CB ASP A 13 99.907 6.874 -3.517 1.00 0.00 C ATOM 141 CG ASP A 13 98.575 7.633 -3.494 1.00 0.00 C ATOM 142 OD1 ASP A 13 98.595 8.832 -3.261 1.00 0.00 O ATOM 143 OD2 ASP A 13 97.555 7.001 -3.711 1.00 0.00 O ATOM 0 H ASP A 13 102.394 6.179 -2.459 1.00 0.00 H new ATOM 0 HA ASP A 13 101.019 8.725 -3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 13 100.167 6.611 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 13 99.812 5.940 -2.963 1.00 0.00 H new ATOM 147 N ALA A 14 100.690 9.086 -0.894 1.00 0.00 N ATOM 148 CA ALA A 14 100.559 9.243 0.566 1.00 0.00 C ATOM 149 C ALA A 14 99.525 10.289 0.935 1.00 0.00 C ATOM 150 O ALA A 14 99.237 11.210 0.194 1.00 0.00 O ATOM 151 CB ALA A 14 101.941 9.705 1.017 1.00 0.00 C ATOM 0 H ALA A 14 100.671 9.951 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 14 100.232 8.317 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 14 101.942 9.850 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 14 102.681 8.951 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 14 102.189 10.646 0.525 1.00 0.00 H new ATOM 157 N GLN A 15 99.000 10.151 2.106 1.00 0.00 N ATOM 158 CA GLN A 15 98.002 11.125 2.615 1.00 0.00 C ATOM 159 C GLN A 15 98.746 12.371 3.089 1.00 0.00 C ATOM 160 O GLN A 15 99.616 12.299 3.946 1.00 0.00 O ATOM 161 CB GLN A 15 97.309 10.425 3.786 1.00 0.00 C ATOM 162 CG GLN A 15 96.166 11.301 4.302 1.00 0.00 C ATOM 163 CD GLN A 15 95.554 10.661 5.549 1.00 0.00 C ATOM 164 OE1 GLN A 15 96.202 10.550 6.571 1.00 0.00 O ATOM 165 NE2 GLN A 15 94.323 10.231 5.509 1.00 0.00 N ATOM 0 H GLN A 15 99.221 9.391 2.749 1.00 0.00 H new ATOM 0 HA GLN A 15 97.276 11.431 1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 15 96.923 9.456 3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 15 98.025 10.236 4.585 1.00 0.00 H new ATOM 0 HG2 GLN A 15 96.536 12.299 4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 15 95.406 11.417 3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 15 93.778 10.324 4.652 1.00 0.00 H new ATOM 0 HE22 GLN A 15 93.905 9.802 6.335 1.00 0.00 H new ATOM 172 N GLY A 16 98.440 13.495 2.501 1.00 0.00 N ATOM 173 CA GLY A 16 99.139 14.762 2.853 1.00 0.00 C ATOM 174 C GLY A 16 100.072 15.136 1.696 1.00 0.00 C ATOM 175 O GLY A 16 100.326 16.298 1.441 1.00 0.00 O ATOM 0 H GLY A 16 97.724 13.590 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 16 98.416 15.558 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 16 99.708 14.638 3.774 1.00 0.00 H new ATOM 178 N GLN A 17 100.558 14.154 0.979 1.00 0.00 N ATOM 179 CA GLN A 17 101.450 14.437 -0.187 1.00 0.00 C ATOM 180 C GLN A 17 100.740 14.018 -1.480 1.00 0.00 C ATOM 181 O GLN A 17 100.733 12.857 -1.841 1.00 0.00 O ATOM 182 CB GLN A 17 102.697 13.586 0.047 1.00 0.00 C ATOM 183 CG GLN A 17 103.761 13.944 -0.992 1.00 0.00 C ATOM 184 CD GLN A 17 104.328 15.330 -0.682 1.00 0.00 C ATOM 185 OE1 GLN A 17 104.920 15.539 0.359 1.00 0.00 O ATOM 186 NE2 GLN A 17 104.172 16.294 -1.548 1.00 0.00 N ATOM 0 H GLN A 17 100.375 13.166 1.152 1.00 0.00 H new ATOM 0 HA GLN A 17 101.702 15.493 -0.280 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.083 13.756 1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.446 12.528 -0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.559 13.202 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.327 13.932 -1.992 1.00 0.00 H new ATOM 0 HE21 GLN A 17 103.675 16.119 -2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 17 104.547 17.222 -1.351 1.00 0.00 H new ATOM 193 N MET A 18 100.129 14.948 -2.169 1.00 0.00 N ATOM 194 CA MET A 18 99.404 14.591 -3.429 1.00 0.00 C ATOM 195 C MET A 18 100.378 14.143 -4.525 1.00 0.00 C ATOM 196 O MET A 18 100.160 13.147 -5.188 1.00 0.00 O ATOM 197 CB MET A 18 98.689 15.876 -3.850 1.00 0.00 C ATOM 198 CG MET A 18 97.621 16.233 -2.815 1.00 0.00 C ATOM 199 SD MET A 18 96.664 17.653 -3.402 1.00 0.00 S ATOM 200 CE MET A 18 98.043 18.818 -3.530 1.00 0.00 C ATOM 0 H MET A 18 100.100 15.936 -1.916 1.00 0.00 H new ATOM 0 HA MET A 18 98.715 13.761 -3.272 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.408 16.690 -3.941 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.230 15.744 -4.830 1.00 0.00 H new ATOM 0 HG2 MET A 18 96.962 15.381 -2.648 1.00 0.00 H new ATOM 0 HG3 MET A 18 98.089 16.467 -1.859 1.00 0.00 H new ATOM 0 HE1 MET A 18 97.670 19.837 -3.423 1.00 0.00 H new ATOM 0 HE2 MET A 18 98.767 18.612 -2.742 1.00 0.00 H new ATOM 0 HE3 MET A 18 98.524 18.708 -4.502 1.00 0.00 H new ATOM 208 N ASN A 19 101.428 14.888 -4.742 1.00 0.00 N ATOM 209 CA ASN A 19 102.399 14.530 -5.825 1.00 0.00 C ATOM 210 C ASN A 19 102.936 13.104 -5.656 1.00 0.00 C ATOM 211 O ASN A 19 103.371 12.708 -4.593 1.00 0.00 O ATOM 212 CB ASN A 19 103.536 15.544 -5.690 1.00 0.00 C ATOM 213 CG ASN A 19 103.006 16.953 -5.967 1.00 0.00 C ATOM 214 OD1 ASN A 19 101.951 17.116 -6.549 1.00 0.00 O ATOM 215 ND2 ASN A 19 103.699 17.986 -5.574 1.00 0.00 N ATOM 0 H ASN A 19 101.659 15.731 -4.217 1.00 0.00 H new ATOM 0 HA ASN A 19 101.925 14.560 -6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 19 103.962 15.496 -4.688 1.00 0.00 H new ATOM 0 HB3 ASN A 19 104.337 15.302 -6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 19 103.356 18.929 -5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 19 104.584 17.850 -5.086 1.00 0.00 H new ATOM 221 N LYS A 20 102.911 12.339 -6.718 1.00 0.00 N ATOM 222 CA LYS A 20 103.422 10.938 -6.661 1.00 0.00 C ATOM 223 C LYS A 20 104.944 10.939 -6.820 1.00 0.00 C ATOM 224 O LYS A 20 105.512 11.856 -7.382 1.00 0.00 O ATOM 225 CB LYS A 20 102.760 10.226 -7.841 1.00 0.00 C ATOM 226 CG LYS A 20 101.244 10.199 -7.637 1.00 0.00 C ATOM 227 CD LYS A 20 100.593 9.394 -8.763 1.00 0.00 C ATOM 228 CE LYS A 20 99.070 9.476 -8.634 1.00 0.00 C ATOM 229 NZ LYS A 20 98.548 8.490 -9.620 1.00 0.00 N ATOM 0 H LYS A 20 102.555 12.629 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 20 103.195 10.447 -5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 20 103.003 10.739 -8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 20 103.144 9.210 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.004 9.754 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 20 100.849 11.215 -7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.908 9.783 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.917 8.354 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 20 98.746 9.232 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 20 98.709 10.481 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 97.508 8.488 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.867 8.751 -10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 98.903 7.541 -9.384 1.00 0.00 H new ATOM 239 N MET A 21 105.612 9.931 -6.319 1.00 0.00 N ATOM 240 CA MET A 21 107.102 9.898 -6.437 1.00 0.00 C ATOM 241 C MET A 21 107.588 8.539 -6.958 1.00 0.00 C ATOM 242 O MET A 21 106.857 7.568 -6.972 1.00 0.00 O ATOM 243 CB MET A 21 107.612 10.140 -5.015 1.00 0.00 C ATOM 244 CG MET A 21 107.125 11.504 -4.520 1.00 0.00 C ATOM 245 SD MET A 21 107.890 11.882 -2.923 1.00 0.00 S ATOM 246 CE MET A 21 107.126 10.540 -1.978 1.00 0.00 C ATOM 0 H MET A 21 105.194 9.135 -5.837 1.00 0.00 H new ATOM 0 HA MET A 21 107.468 10.643 -7.143 1.00 0.00 H new ATOM 0 HB2 MET A 21 107.256 9.352 -4.351 1.00 0.00 H new ATOM 0 HB3 MET A 21 108.701 10.103 -4.997 1.00 0.00 H new ATOM 0 HG2 MET A 21 107.377 12.276 -5.247 1.00 0.00 H new ATOM 0 HG3 MET A 21 106.039 11.500 -4.422 1.00 0.00 H new ATOM 0 HE1 MET A 21 106.826 10.910 -0.998 1.00 0.00 H new ATOM 0 HE2 MET A 21 106.249 10.173 -2.511 1.00 0.00 H new ATOM 0 HE3 MET A 21 107.842 9.728 -1.856 1.00 0.00 H new ATOM 254 N GLY A 22 108.830 8.470 -7.368 1.00 0.00 N ATOM 255 CA GLY A 22 109.392 7.179 -7.872 1.00 0.00 C ATOM 256 C GLY A 22 110.061 6.464 -6.700 1.00 0.00 C ATOM 257 O GLY A 22 110.490 7.103 -5.763 1.00 0.00 O ATOM 0 H GLY A 22 109.481 9.255 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 22 108.602 6.559 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 22 110.114 7.363 -8.668 1.00 0.00 H new ATOM 260 N GLY A 23 110.150 5.154 -6.726 1.00 0.00 N ATOM 261 CA GLY A 23 110.788 4.446 -5.576 1.00 0.00 C ATOM 262 C GLY A 23 111.785 3.395 -6.064 1.00 0.00 C ATOM 263 O GLY A 23 111.436 2.475 -6.778 1.00 0.00 O ATOM 0 H GLY A 23 109.814 4.556 -7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 23 111.298 5.168 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 23 110.020 3.969 -4.967 1.00 0.00 H new ATOM 266 N PHE A 24 113.021 3.515 -5.654 1.00 0.00 N ATOM 267 CA PHE A 24 114.052 2.513 -6.054 1.00 0.00 C ATOM 268 C PHE A 24 114.464 1.717 -4.814 1.00 0.00 C ATOM 269 O PHE A 24 114.770 2.289 -3.785 1.00 0.00 O ATOM 270 CB PHE A 24 115.233 3.338 -6.577 1.00 0.00 C ATOM 271 CG PHE A 24 114.789 4.178 -7.753 1.00 0.00 C ATOM 272 CD1 PHE A 24 114.832 3.651 -9.049 1.00 0.00 C ATOM 273 CD2 PHE A 24 114.335 5.486 -7.544 1.00 0.00 C ATOM 274 CE1 PHE A 24 114.423 4.433 -10.136 1.00 0.00 C ATOM 275 CE2 PHE A 24 113.926 6.267 -8.631 1.00 0.00 C ATOM 276 CZ PHE A 24 113.969 5.740 -9.927 1.00 0.00 C ATOM 0 H PHE A 24 113.362 4.268 -5.056 1.00 0.00 H new ATOM 0 HA PHE A 24 113.696 1.809 -6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 24 115.619 3.980 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 24 116.046 2.677 -6.877 1.00 0.00 H new ATOM 0 HD1 PHE A 24 115.181 2.642 -9.210 1.00 0.00 H new ATOM 0 HD2 PHE A 24 114.300 5.892 -6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 24 114.458 4.027 -11.136 1.00 0.00 H new ATOM 0 HE2 PHE A 24 113.577 7.276 -8.470 1.00 0.00 H new ATOM 0 HZ PHE A 24 113.652 6.342 -10.766 1.00 0.00 H new ATOM 285 N ASN A 25 114.461 0.409 -4.882 1.00 0.00 N ATOM 286 CA ASN A 25 114.839 -0.388 -3.677 1.00 0.00 C ATOM 287 C ASN A 25 115.740 -1.569 -4.044 1.00 0.00 C ATOM 288 O ASN A 25 115.398 -2.385 -4.875 1.00 0.00 O ATOM 289 CB ASN A 25 113.510 -0.892 -3.110 1.00 0.00 C ATOM 290 CG ASN A 25 113.723 -1.409 -1.687 1.00 0.00 C ATOM 291 OD1 ASN A 25 114.663 -1.024 -1.020 1.00 0.00 O ATOM 292 ND2 ASN A 25 112.881 -2.273 -1.188 1.00 0.00 N ATOM 0 H ASN A 25 114.216 -0.135 -5.709 1.00 0.00 H new ATOM 0 HA ASN A 25 115.402 0.212 -2.962 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.775 -0.087 -3.109 1.00 0.00 H new ATOM 0 HB3 ASN A 25 113.112 -1.687 -3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 25 113.013 -2.624 -0.239 1.00 0.00 H new ATOM 0 HD22 ASN A 25 112.092 -2.597 -1.747 1.00 0.00 H new ATOM 298 N LEU A 26 116.874 -1.680 -3.403 1.00 0.00 N ATOM 299 CA LEU A 26 117.791 -2.826 -3.676 1.00 0.00 C ATOM 300 C LEU A 26 118.047 -3.551 -2.357 1.00 0.00 C ATOM 301 O LEU A 26 118.365 -2.922 -1.365 1.00 0.00 O ATOM 302 CB LEU A 26 119.082 -2.201 -4.213 1.00 0.00 C ATOM 303 CG LEU A 26 118.780 -1.357 -5.457 1.00 0.00 C ATOM 304 CD1 LEU A 26 120.075 -0.729 -5.974 1.00 0.00 C ATOM 305 CD2 LEU A 26 118.181 -2.248 -6.550 1.00 0.00 C ATOM 0 H LEU A 26 117.206 -1.022 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 26 117.385 -3.544 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 26 119.541 -1.579 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 26 119.799 -2.984 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 26 118.070 -0.572 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 26 119.861 -0.129 -6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 26 120.506 -0.094 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 26 120.783 -1.516 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 26 117.967 -1.646 -7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 26 118.891 -3.033 -6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 26 117.258 -2.699 -6.186 1.00 0.00 H new ATOM 316 N LYS A 27 117.891 -4.850 -2.306 1.00 0.00 N ATOM 317 CA LYS A 27 118.108 -5.551 -1.010 1.00 0.00 C ATOM 318 C LYS A 27 118.917 -6.842 -1.176 1.00 0.00 C ATOM 319 O LYS A 27 118.828 -7.529 -2.177 1.00 0.00 O ATOM 320 CB LYS A 27 116.695 -5.865 -0.507 1.00 0.00 C ATOM 321 CG LYS A 27 116.012 -6.859 -1.453 1.00 0.00 C ATOM 322 CD LYS A 27 114.563 -7.070 -1.013 1.00 0.00 C ATOM 323 CE LYS A 27 113.974 -8.271 -1.755 1.00 0.00 C ATOM 324 NZ LYS A 27 113.043 -8.904 -0.780 1.00 0.00 N ATOM 0 H LYS A 27 117.627 -5.444 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 27 118.683 -4.937 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 27 116.742 -6.281 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 27 116.110 -4.948 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 27 116.041 -6.483 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 27 116.547 -7.809 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 27 114.519 -7.237 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 27 113.975 -6.176 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 27 113.449 -7.959 -2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 27 114.755 -8.966 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 113.046 -9.935 -0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 113.351 -8.682 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 112.081 -8.538 -0.930 1.00 0.00 H new ATOM 334 N TYR A 28 119.687 -7.175 -0.175 1.00 0.00 N ATOM 335 CA TYR A 28 120.498 -8.425 -0.220 1.00 0.00 C ATOM 336 C TYR A 28 119.938 -9.417 0.801 1.00 0.00 C ATOM 337 O TYR A 28 119.591 -9.046 1.906 1.00 0.00 O ATOM 338 CB TYR A 28 121.919 -8.002 0.158 1.00 0.00 C ATOM 339 CG TYR A 28 122.436 -7.003 -0.850 1.00 0.00 C ATOM 340 CD1 TYR A 28 122.947 -7.445 -2.076 1.00 0.00 C ATOM 341 CD2 TYR A 28 122.406 -5.634 -0.557 1.00 0.00 C ATOM 342 CE1 TYR A 28 123.429 -6.519 -3.009 1.00 0.00 C ATOM 343 CE2 TYR A 28 122.887 -4.708 -1.491 1.00 0.00 C ATOM 344 CZ TYR A 28 123.398 -5.150 -2.717 1.00 0.00 C ATOM 345 OH TYR A 28 123.872 -4.237 -3.636 1.00 0.00 O ATOM 0 H TYR A 28 119.789 -6.629 0.680 1.00 0.00 H new ATOM 0 HA TYR A 28 120.479 -8.908 -1.197 1.00 0.00 H new ATOM 0 HB2 TYR A 28 121.925 -7.563 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 28 122.573 -8.874 0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 28 122.969 -8.501 -2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 28 122.012 -5.292 0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 28 123.825 -6.861 -3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 28 122.864 -3.652 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 28 123.776 -3.331 -3.276 1.00 0.00 H new ATOM 354 N ARG A 29 119.833 -10.668 0.441 1.00 0.00 N ATOM 355 CA ARG A 29 119.275 -11.671 1.395 1.00 0.00 C ATOM 356 C ARG A 29 120.290 -12.780 1.685 1.00 0.00 C ATOM 357 O ARG A 29 120.923 -13.317 0.794 1.00 0.00 O ATOM 358 CB ARG A 29 118.035 -12.233 0.690 1.00 0.00 C ATOM 359 CG ARG A 29 117.453 -13.407 1.488 1.00 0.00 C ATOM 360 CD ARG A 29 116.265 -13.999 0.728 1.00 0.00 C ATOM 361 NE ARG A 29 115.793 -15.129 1.575 1.00 0.00 N ATOM 362 CZ ARG A 29 115.285 -16.194 1.018 1.00 0.00 C ATOM 363 NH1 ARG A 29 115.884 -16.745 -0.003 1.00 0.00 N ATOM 364 NH2 ARG A 29 114.177 -16.708 1.479 1.00 0.00 N ATOM 0 H ARG A 29 120.108 -11.038 -0.469 1.00 0.00 H new ATOM 0 HA ARG A 29 119.033 -11.226 2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 29 117.284 -11.450 0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 29 118.298 -12.563 -0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 29 118.216 -14.170 1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 29 117.136 -13.069 2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 29 115.479 -13.258 0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 29 116.562 -14.345 -0.262 1.00 0.00 H new ATOM 0 HE ARG A 29 115.867 -15.071 2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 29 116.749 -16.343 -0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 29 115.487 -17.578 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 29 113.708 -16.277 2.275 1.00 0.00 H new ATOM 0 HH22 ARG A 29 113.781 -17.541 1.043 1.00 0.00 H new ATOM 375 N TYR A 30 120.426 -13.131 2.937 1.00 0.00 N ATOM 376 CA TYR A 30 121.368 -14.215 3.328 1.00 0.00 C ATOM 377 C TYR A 30 120.586 -15.314 4.049 1.00 0.00 C ATOM 378 O TYR A 30 119.724 -15.034 4.859 1.00 0.00 O ATOM 379 CB TYR A 30 122.371 -13.555 4.276 1.00 0.00 C ATOM 380 CG TYR A 30 123.093 -12.439 3.558 1.00 0.00 C ATOM 381 CD1 TYR A 30 124.221 -12.722 2.780 1.00 0.00 C ATOM 382 CD2 TYR A 30 122.631 -11.122 3.670 1.00 0.00 C ATOM 383 CE1 TYR A 30 124.890 -11.687 2.115 1.00 0.00 C ATOM 384 CE2 TYR A 30 123.300 -10.088 3.006 1.00 0.00 C ATOM 385 CZ TYR A 30 124.429 -10.370 2.228 1.00 0.00 C ATOM 386 OH TYR A 30 125.088 -9.349 1.573 1.00 0.00 O ATOM 0 H TYR A 30 119.917 -12.706 3.712 1.00 0.00 H new ATOM 0 HA TYR A 30 121.871 -14.669 2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 30 121.854 -13.162 5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 30 123.088 -14.294 4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 30 124.576 -13.738 2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 30 121.759 -10.904 4.269 1.00 0.00 H new ATOM 0 HE1 TYR A 30 125.761 -11.905 1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 30 122.945 -9.072 3.094 1.00 0.00 H new ATOM 0 HH TYR A 30 124.637 -8.498 1.756 1.00 0.00 H new ATOM 395 N GLU A 31 120.873 -16.558 3.769 1.00 0.00 N ATOM 396 CA GLU A 31 120.137 -17.665 4.447 1.00 0.00 C ATOM 397 C GLU A 31 121.112 -18.775 4.839 1.00 0.00 C ATOM 398 O GLU A 31 122.086 -19.021 4.153 1.00 0.00 O ATOM 399 CB GLU A 31 119.137 -18.170 3.405 1.00 0.00 C ATOM 400 CG GLU A 31 118.224 -19.224 4.039 1.00 0.00 C ATOM 401 CD GLU A 31 117.276 -19.805 2.981 1.00 0.00 C ATOM 402 OE1 GLU A 31 117.373 -19.404 1.831 1.00 0.00 O ATOM 403 OE2 GLU A 31 116.467 -20.643 3.341 1.00 0.00 O ATOM 0 H GLU A 31 121.584 -16.855 3.101 1.00 0.00 H new ATOM 0 HA GLU A 31 119.641 -17.338 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 31 118.542 -17.340 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 31 119.667 -18.598 2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 31 118.825 -20.021 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 31 117.648 -18.777 4.849 1.00 0.00 H new ATOM 408 N GLU A 32 120.865 -19.450 5.932 1.00 0.00 N ATOM 409 CA GLU A 32 121.785 -20.542 6.355 1.00 0.00 C ATOM 410 C GLU A 32 121.156 -21.907 6.056 1.00 0.00 C ATOM 411 O GLU A 32 119.972 -22.114 6.237 1.00 0.00 O ATOM 412 CB GLU A 32 121.966 -20.340 7.858 1.00 0.00 C ATOM 413 CG GLU A 32 122.655 -18.996 8.115 1.00 0.00 C ATOM 414 CD GLU A 32 122.907 -18.814 9.617 1.00 0.00 C ATOM 415 OE1 GLU A 32 122.369 -19.589 10.393 1.00 0.00 O ATOM 416 OE2 GLU A 32 123.635 -17.899 9.965 1.00 0.00 O ATOM 0 H GLU A 32 120.067 -19.291 6.547 1.00 0.00 H new ATOM 0 HA GLU A 32 122.738 -20.516 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 32 120.998 -20.366 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 32 122.562 -21.152 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 32 123.599 -18.952 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 32 122.034 -18.182 7.741 1.00 0.00 H new ATOM 421 N ASP A 33 121.946 -22.828 5.576 1.00 0.00 N ATOM 422 CA ASP A 33 121.422 -24.186 5.229 1.00 0.00 C ATOM 423 C ASP A 33 120.688 -24.832 6.412 1.00 0.00 C ATOM 424 O ASP A 33 119.820 -25.663 6.223 1.00 0.00 O ATOM 425 CB ASP A 33 122.662 -25.008 4.864 1.00 0.00 C ATOM 426 CG ASP A 33 123.278 -24.475 3.564 1.00 0.00 C ATOM 427 OD1 ASP A 33 122.596 -23.752 2.854 1.00 0.00 O ATOM 428 OD2 ASP A 33 124.424 -24.801 3.301 1.00 0.00 O ATOM 0 H ASP A 33 122.944 -22.699 5.407 1.00 0.00 H new ATOM 0 HA ASP A 33 120.698 -24.133 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 33 123.393 -24.957 5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 33 122.391 -26.057 4.745 1.00 0.00 H new ATOM 432 N ASN A 34 121.036 -24.482 7.623 1.00 0.00 N ATOM 433 CA ASN A 34 120.361 -25.113 8.799 1.00 0.00 C ATOM 434 C ASN A 34 118.849 -24.831 8.798 1.00 0.00 C ATOM 435 O ASN A 34 118.056 -25.709 9.079 1.00 0.00 O ATOM 436 CB ASN A 34 121.037 -24.502 10.034 1.00 0.00 C ATOM 437 CG ASN A 34 120.789 -22.992 10.079 1.00 0.00 C ATOM 438 OD1 ASN A 34 120.583 -22.370 9.059 1.00 0.00 O ATOM 439 ND2 ASN A 34 120.800 -22.375 11.229 1.00 0.00 N ATOM 0 H ASN A 34 121.753 -23.792 7.849 1.00 0.00 H new ATOM 0 HA ASN A 34 120.460 -26.198 8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 34 120.648 -24.969 10.939 1.00 0.00 H new ATOM 0 HB3 ASN A 34 122.108 -24.701 10.007 1.00 0.00 H new ATOM 0 HD21 ASN A 34 120.635 -21.369 11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 34 120.973 -22.899 12.087 1.00 0.00 H new ATOM 445 N SER A 35 118.439 -23.625 8.493 1.00 0.00 N ATOM 446 CA SER A 35 116.976 -23.315 8.489 1.00 0.00 C ATOM 447 C SER A 35 116.670 -22.133 7.555 1.00 0.00 C ATOM 448 O SER A 35 117.571 -21.452 7.108 1.00 0.00 O ATOM 449 CB SER A 35 116.646 -22.951 9.936 1.00 0.00 C ATOM 450 OG SER A 35 116.053 -24.073 10.579 1.00 0.00 O ATOM 0 H SER A 35 119.050 -22.846 8.248 1.00 0.00 H new ATOM 0 HA SER A 35 116.384 -24.156 8.129 1.00 0.00 H new ATOM 0 HB2 SER A 35 117.552 -22.652 10.463 1.00 0.00 H new ATOM 0 HB3 SER A 35 115.965 -22.100 9.963 1.00 0.00 H new ATOM 0 HG SER A 35 116.528 -24.889 10.317 1.00 0.00 H new ATOM 455 N PRO A 36 115.398 -21.925 7.292 1.00 0.00 N ATOM 456 CA PRO A 36 114.969 -20.813 6.410 1.00 0.00 C ATOM 457 C PRO A 36 114.802 -19.509 7.205 1.00 0.00 C ATOM 458 O PRO A 36 113.873 -18.756 6.983 1.00 0.00 O ATOM 459 CB PRO A 36 113.620 -21.289 5.881 1.00 0.00 C ATOM 460 CG PRO A 36 113.094 -22.249 6.910 1.00 0.00 C ATOM 461 CD PRO A 36 114.248 -22.699 7.776 1.00 0.00 C ATOM 0 HA PRO A 36 115.692 -20.594 5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 36 112.937 -20.451 5.742 1.00 0.00 H new ATOM 0 HB3 PRO A 36 113.729 -21.775 4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 36 112.327 -21.770 7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 36 112.627 -23.106 6.425 1.00 0.00 H new ATOM 0 HD2 PRO A 36 114.053 -22.502 8.830 1.00 0.00 H new ATOM 0 HD3 PRO A 36 114.422 -23.771 7.679 1.00 0.00 H new ATOM 466 N LEU A 37 115.687 -19.238 8.128 1.00 0.00 N ATOM 467 CA LEU A 37 115.575 -17.984 8.933 1.00 0.00 C ATOM 468 C LEU A 37 116.711 -17.023 8.573 1.00 0.00 C ATOM 469 O LEU A 37 117.674 -16.888 9.302 1.00 0.00 O ATOM 470 CB LEU A 37 115.693 -18.437 10.388 1.00 0.00 C ATOM 471 CG LEU A 37 115.399 -17.257 11.317 1.00 0.00 C ATOM 472 CD1 LEU A 37 113.897 -16.971 11.321 1.00 0.00 C ATOM 473 CD2 LEU A 37 115.855 -17.601 12.736 1.00 0.00 C ATOM 0 H LEU A 37 116.484 -19.831 8.360 1.00 0.00 H new ATOM 0 HA LEU A 37 114.641 -17.454 8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 37 114.995 -19.250 10.584 1.00 0.00 H new ATOM 0 HB3 LEU A 37 116.694 -18.823 10.579 1.00 0.00 H new ATOM 0 HG LEU A 37 115.935 -16.376 10.965 1.00 0.00 H new ATOM 0 HD11 LEU A 37 113.688 -16.130 11.983 1.00 0.00 H new ATOM 0 HD12 LEU A 37 113.570 -16.727 10.310 1.00 0.00 H new ATOM 0 HD13 LEU A 37 113.360 -17.852 11.673 1.00 0.00 H new ATOM 0 HD21 LEU A 37 115.646 -16.761 13.399 1.00 0.00 H new ATOM 0 HD22 LEU A 37 115.318 -18.483 13.087 1.00 0.00 H new ATOM 0 HD23 LEU A 37 116.926 -17.805 12.735 1.00 0.00 H new ATOM 484 N GLY A 38 116.611 -16.364 7.446 1.00 0.00 N ATOM 485 CA GLY A 38 117.694 -15.424 7.031 1.00 0.00 C ATOM 486 C GLY A 38 117.281 -13.976 7.309 1.00 0.00 C ATOM 487 O GLY A 38 116.180 -13.704 7.742 1.00 0.00 O ATOM 0 H GLY A 38 115.827 -16.437 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 38 118.612 -15.657 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 38 117.907 -15.551 5.970 1.00 0.00 H new ATOM 490 N VAL A 39 118.164 -13.047 7.044 1.00 0.00 N ATOM 491 CA VAL A 39 117.849 -11.603 7.265 1.00 0.00 C ATOM 492 C VAL A 39 118.242 -10.811 6.016 1.00 0.00 C ATOM 493 O VAL A 39 119.258 -11.085 5.404 1.00 0.00 O ATOM 494 CB VAL A 39 118.704 -11.178 8.463 1.00 0.00 C ATOM 495 CG1 VAL A 39 118.425 -9.709 8.797 1.00 0.00 C ATOM 496 CG2 VAL A 39 118.359 -12.050 9.675 1.00 0.00 C ATOM 0 H VAL A 39 119.099 -13.229 6.680 1.00 0.00 H new ATOM 0 HA VAL A 39 116.790 -11.426 7.453 1.00 0.00 H new ATOM 0 HB VAL A 39 119.758 -11.301 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 39 119.034 -9.408 9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 39 118.672 -9.087 7.937 1.00 0.00 H new ATOM 0 HG13 VAL A 39 117.370 -9.586 9.043 1.00 0.00 H new ATOM 0 HG21 VAL A 39 118.968 -11.747 10.527 1.00 0.00 H new ATOM 0 HG22 VAL A 39 117.304 -11.929 9.922 1.00 0.00 H new ATOM 0 HG23 VAL A 39 118.559 -13.095 9.440 1.00 0.00 H new ATOM 506 N ILE A 40 117.453 -9.847 5.614 1.00 0.00 N ATOM 507 CA ILE A 40 117.806 -9.072 4.385 1.00 0.00 C ATOM 508 C ILE A 40 117.942 -7.574 4.688 1.00 0.00 C ATOM 509 O ILE A 40 117.252 -7.035 5.528 1.00 0.00 O ATOM 510 CB ILE A 40 116.645 -9.320 3.409 1.00 0.00 C ATOM 511 CG1 ILE A 40 115.349 -8.717 3.968 1.00 0.00 C ATOM 512 CG2 ILE A 40 116.451 -10.824 3.205 1.00 0.00 C ATOM 513 CD1 ILE A 40 114.236 -8.829 2.923 1.00 0.00 C ATOM 0 H ILE A 40 116.589 -9.565 6.077 1.00 0.00 H new ATOM 0 HA ILE A 40 118.766 -9.387 3.976 1.00 0.00 H new ATOM 0 HB ILE A 40 116.883 -8.848 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 40 115.058 -9.237 4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 40 115.508 -7.672 4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 40 115.627 -10.994 2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 40 117.364 -11.256 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 40 116.224 -11.295 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 40 113.317 -8.400 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 40 114.527 -8.289 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 40 114.070 -9.878 2.679 1.00 0.00 H new ATOM 524 N GLY A 41 118.816 -6.904 3.985 1.00 0.00 N ATOM 525 CA GLY A 41 118.995 -5.436 4.194 1.00 0.00 C ATOM 526 C GLY A 41 118.566 -4.720 2.915 1.00 0.00 C ATOM 527 O GLY A 41 118.983 -5.086 1.834 1.00 0.00 O ATOM 0 H GLY A 41 119.418 -7.313 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 41 118.397 -5.096 5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 41 120.035 -5.209 4.427 1.00 0.00 H new ATOM 530 N SER A 42 117.724 -3.723 3.014 1.00 0.00 N ATOM 531 CA SER A 42 117.267 -3.022 1.776 1.00 0.00 C ATOM 532 C SER A 42 117.249 -1.503 1.958 1.00 0.00 C ATOM 533 O SER A 42 116.901 -0.993 3.006 1.00 0.00 O ATOM 534 CB SER A 42 115.852 -3.543 1.536 1.00 0.00 C ATOM 535 OG SER A 42 115.358 -3.012 0.313 1.00 0.00 O ATOM 0 H SER A 42 117.337 -3.367 3.888 1.00 0.00 H new ATOM 0 HA SER A 42 117.937 -3.215 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 42 115.855 -4.632 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 42 115.201 -3.254 2.361 1.00 0.00 H new ATOM 0 HG SER A 42 115.110 -2.072 0.441 1.00 0.00 H new ATOM 540 N PHE A 43 117.607 -0.783 0.926 1.00 0.00 N ATOM 541 CA PHE A 43 117.597 0.705 1.000 1.00 0.00 C ATOM 542 C PHE A 43 116.556 1.242 0.019 1.00 0.00 C ATOM 543 O PHE A 43 116.422 0.739 -1.079 1.00 0.00 O ATOM 544 CB PHE A 43 119.006 1.137 0.588 1.00 0.00 C ATOM 545 CG PHE A 43 120.009 0.615 1.590 1.00 0.00 C ATOM 546 CD1 PHE A 43 120.280 1.346 2.753 1.00 0.00 C ATOM 547 CD2 PHE A 43 120.667 -0.599 1.356 1.00 0.00 C ATOM 548 CE1 PHE A 43 121.210 0.863 3.682 1.00 0.00 C ATOM 549 CE2 PHE A 43 121.597 -1.081 2.285 1.00 0.00 C ATOM 550 CZ PHE A 43 121.869 -0.350 3.448 1.00 0.00 C ATOM 0 H PHE A 43 117.908 -1.167 0.030 1.00 0.00 H new ATOM 0 HA PHE A 43 117.343 1.081 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 43 119.238 0.756 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.063 2.224 0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 43 119.772 2.282 2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 43 120.457 -1.163 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 43 121.419 1.426 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 43 122.105 -2.017 2.105 1.00 0.00 H new ATOM 0 HZ PHE A 43 122.587 -0.722 4.164 1.00 0.00 H new ATOM 559 N THR A 44 115.817 2.253 0.395 1.00 0.00 N ATOM 560 CA THR A 44 114.789 2.800 -0.538 1.00 0.00 C ATOM 561 C THR A 44 114.924 4.317 -0.639 1.00 0.00 C ATOM 562 O THR A 44 115.082 4.999 0.357 1.00 0.00 O ATOM 563 CB THR A 44 113.446 2.420 0.086 1.00 0.00 C ATOM 564 OG1 THR A 44 113.405 1.016 0.298 1.00 0.00 O ATOM 565 CG2 THR A 44 112.311 2.830 -0.852 1.00 0.00 C ATOM 0 H THR A 44 115.880 2.720 1.300 1.00 0.00 H new ATOM 0 HA THR A 44 114.895 2.404 -1.548 1.00 0.00 H new ATOM 0 HB THR A 44 113.329 2.935 1.039 1.00 0.00 H new ATOM 0 HG1 THR A 44 114.093 0.582 -0.248 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.354 2.558 -0.406 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.343 3.908 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 44 112.425 2.317 -1.807 1.00 0.00 H new ATOM 573 N TYR A 45 114.848 4.856 -1.827 1.00 0.00 N ATOM 574 CA TYR A 45 114.954 6.329 -1.985 1.00 0.00 C ATOM 575 C TYR A 45 113.863 6.811 -2.940 1.00 0.00 C ATOM 576 O TYR A 45 113.896 6.535 -4.124 1.00 0.00 O ATOM 577 CB TYR A 45 116.341 6.569 -2.585 1.00 0.00 C ATOM 578 CG TYR A 45 116.583 8.053 -2.722 1.00 0.00 C ATOM 579 CD1 TYR A 45 117.074 8.787 -1.635 1.00 0.00 C ATOM 580 CD2 TYR A 45 116.316 8.696 -3.937 1.00 0.00 C ATOM 581 CE1 TYR A 45 117.299 10.163 -1.763 1.00 0.00 C ATOM 582 CE2 TYR A 45 116.541 10.072 -4.064 1.00 0.00 C ATOM 583 CZ TYR A 45 117.032 10.806 -2.978 1.00 0.00 C ATOM 584 OH TYR A 45 117.254 12.162 -3.103 1.00 0.00 O ATOM 0 H TYR A 45 114.717 4.335 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 45 114.829 6.865 -1.044 1.00 0.00 H new ATOM 0 HB2 TYR A 45 117.106 6.123 -1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 45 116.415 6.087 -3.560 1.00 0.00 H new ATOM 0 HD1 TYR A 45 117.279 8.291 -0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 45 115.937 8.131 -4.776 1.00 0.00 H new ATOM 0 HE1 TYR A 45 117.678 10.728 -0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 45 116.335 10.568 -5.001 1.00 0.00 H new ATOM 0 HH TYR A 45 117.019 12.450 -4.010 1.00 0.00 H new ATOM 593 N THR A 46 112.899 7.530 -2.436 1.00 0.00 N ATOM 594 CA THR A 46 111.803 8.031 -3.315 1.00 0.00 C ATOM 595 C THR A 46 111.888 9.552 -3.414 1.00 0.00 C ATOM 596 O THR A 46 112.145 10.224 -2.434 1.00 0.00 O ATOM 597 CB THR A 46 110.507 7.596 -2.623 1.00 0.00 C ATOM 598 OG1 THR A 46 110.525 6.189 -2.430 1.00 0.00 O ATOM 599 CG2 THR A 46 109.300 7.979 -3.484 1.00 0.00 C ATOM 0 H THR A 46 112.822 7.793 -1.454 1.00 0.00 H new ATOM 0 HA THR A 46 111.861 7.639 -4.331 1.00 0.00 H new ATOM 0 HB THR A 46 110.430 8.098 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 46 109.697 5.909 -1.986 1.00 0.00 H new ATOM 0 HG21 THR A 46 108.383 7.666 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 46 109.284 9.059 -3.628 1.00 0.00 H new ATOM 0 HG23 THR A 46 109.373 7.485 -4.453 1.00 0.00 H new ATOM 607 N GLU A 47 111.694 10.109 -4.585 1.00 0.00 N ATOM 608 CA GLU A 47 111.788 11.593 -4.721 1.00 0.00 C ATOM 609 C GLU A 47 110.667 12.122 -5.620 1.00 0.00 C ATOM 610 O GLU A 47 110.078 11.387 -6.390 1.00 0.00 O ATOM 611 CB GLU A 47 113.154 11.841 -5.364 1.00 0.00 C ATOM 612 CG GLU A 47 113.428 13.347 -5.428 1.00 0.00 C ATOM 613 CD GLU A 47 114.751 13.612 -6.157 1.00 0.00 C ATOM 614 OE1 GLU A 47 115.372 12.657 -6.600 1.00 0.00 O ATOM 615 OE2 GLU A 47 115.121 14.769 -6.262 1.00 0.00 O ATOM 0 H GLU A 47 111.477 9.604 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 47 111.686 12.102 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 47 113.934 11.344 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 47 113.178 11.414 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 47 112.612 13.851 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 47 113.470 13.760 -4.420 1.00 0.00 H new ATOM 620 N LYS A 48 110.375 13.391 -5.527 1.00 0.00 N ATOM 621 CA LYS A 48 109.295 13.981 -6.372 1.00 0.00 C ATOM 622 C LYS A 48 109.855 14.379 -7.741 1.00 0.00 C ATOM 623 O LYS A 48 110.979 14.830 -7.853 1.00 0.00 O ATOM 624 CB LYS A 48 108.834 15.222 -5.607 1.00 0.00 C ATOM 625 CG LYS A 48 108.269 14.803 -4.247 1.00 0.00 C ATOM 626 CD LYS A 48 107.736 16.036 -3.516 1.00 0.00 C ATOM 627 CE LYS A 48 107.320 15.644 -2.096 1.00 0.00 C ATOM 628 NZ LYS A 48 107.237 16.932 -1.351 1.00 0.00 N ATOM 0 H LYS A 48 110.839 14.048 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 48 108.479 13.281 -6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 48 109.669 15.909 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 48 108.075 15.754 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 48 107.471 14.073 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 48 109.044 14.321 -3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 48 108.501 16.811 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 48 106.885 16.452 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 48 106.362 15.124 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 48 108.048 14.972 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 106.557 16.838 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 108.173 17.172 -0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 106.923 17.686 -1.995 1.00 0.00 H new ATOM 638 N SER A 49 109.077 14.221 -8.779 1.00 0.00 N ATOM 639 CA SER A 49 109.560 14.598 -10.140 1.00 0.00 C ATOM 640 C SER A 49 109.673 16.121 -10.241 1.00 0.00 C ATOM 641 O SER A 49 108.960 16.845 -9.573 1.00 0.00 O ATOM 642 CB SER A 49 108.497 14.073 -11.106 1.00 0.00 C ATOM 643 OG SER A 49 108.927 14.291 -12.443 1.00 0.00 O ATOM 0 H SER A 49 108.129 13.847 -8.743 1.00 0.00 H new ATOM 0 HA SER A 49 110.543 14.183 -10.363 1.00 0.00 H new ATOM 0 HB2 SER A 49 108.328 13.010 -10.935 1.00 0.00 H new ATOM 0 HB3 SER A 49 107.548 14.579 -10.930 1.00 0.00 H new ATOM 0 HG SER A 49 108.248 13.954 -13.064 1.00 0.00 H new ATOM 648 N ARG A 50 110.564 16.613 -11.062 1.00 0.00 N ATOM 649 CA ARG A 50 110.717 18.093 -11.189 1.00 0.00 C ATOM 650 C ARG A 50 109.415 18.719 -11.695 1.00 0.00 C ATOM 651 O ARG A 50 108.814 18.249 -12.642 1.00 0.00 O ATOM 652 CB ARG A 50 111.840 18.295 -12.209 1.00 0.00 C ATOM 653 CG ARG A 50 113.152 17.747 -11.641 1.00 0.00 C ATOM 654 CD ARG A 50 114.306 18.077 -12.594 1.00 0.00 C ATOM 655 NE ARG A 50 113.941 17.434 -13.888 1.00 0.00 N ATOM 656 CZ ARG A 50 114.698 16.496 -14.388 1.00 0.00 C ATOM 657 NH1 ARG A 50 114.564 15.263 -13.982 1.00 0.00 N ATOM 658 NH2 ARG A 50 115.590 16.791 -15.294 1.00 0.00 N ATOM 0 H ARG A 50 111.189 16.058 -11.647 1.00 0.00 H new ATOM 0 HA ARG A 50 110.947 18.565 -10.234 1.00 0.00 H new ATOM 0 HB2 ARG A 50 111.595 17.786 -13.141 1.00 0.00 H new ATOM 0 HB3 ARG A 50 111.947 19.354 -12.443 1.00 0.00 H new ATOM 0 HG2 ARG A 50 113.343 18.180 -10.659 1.00 0.00 H new ATOM 0 HG3 ARG A 50 113.078 16.668 -11.504 1.00 0.00 H new ATOM 0 HD2 ARG A 50 114.425 19.154 -12.710 1.00 0.00 H new ATOM 0 HD3 ARG A 50 115.252 17.690 -12.215 1.00 0.00 H new ATOM 0 HE ARG A 50 113.099 17.727 -14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 50 113.867 15.032 -13.274 1.00 0.00 H new ATOM 0 HH12 ARG A 50 115.156 14.530 -14.373 1.00 0.00 H new ATOM 0 HH21 ARG A 50 115.695 17.755 -15.611 1.00 0.00 H new ATOM 0 HH22 ARG A 50 116.182 16.058 -15.685 1.00 0.00 H new ATOM 669 N THR A 51 108.980 19.780 -11.068 1.00 0.00 N ATOM 670 CA THR A 51 107.720 20.450 -11.501 1.00 0.00 C ATOM 671 C THR A 51 107.946 21.959 -11.615 1.00 0.00 C ATOM 672 O THR A 51 108.741 22.530 -10.894 1.00 0.00 O ATOM 673 CB THR A 51 106.700 20.137 -10.403 1.00 0.00 C ATOM 674 OG1 THR A 51 106.638 18.731 -10.207 1.00 0.00 O ATOM 675 CG2 THR A 51 105.320 20.657 -10.815 1.00 0.00 C ATOM 0 H THR A 51 109.446 20.213 -10.271 1.00 0.00 H new ATOM 0 HA THR A 51 107.379 20.102 -12.476 1.00 0.00 H new ATOM 0 HB THR A 51 107.004 20.624 -9.476 1.00 0.00 H new ATOM 0 HG1 THR A 51 105.987 18.527 -9.503 1.00 0.00 H new ATOM 0 HG21 THR A 51 104.597 20.432 -10.031 1.00 0.00 H new ATOM 0 HG22 THR A 51 105.368 21.735 -10.966 1.00 0.00 H new ATOM 0 HG23 THR A 51 105.011 20.174 -11.742 1.00 0.00 H new ATOM 683 N ALA A 52 107.254 22.609 -12.513 1.00 0.00 N ATOM 684 CA ALA A 52 107.431 24.085 -12.671 1.00 0.00 C ATOM 685 C ALA A 52 107.092 24.801 -11.359 1.00 0.00 C ATOM 686 O ALA A 52 107.627 25.851 -11.061 1.00 0.00 O ATOM 687 CB ALA A 52 106.449 24.491 -13.771 1.00 0.00 C ATOM 0 H ALA A 52 106.575 22.184 -13.144 1.00 0.00 H new ATOM 0 HA ALA A 52 108.457 24.351 -12.925 1.00 0.00 H new ATOM 0 HB1 ALA A 52 106.521 25.565 -13.944 1.00 0.00 H new ATOM 0 HB2 ALA A 52 106.692 23.958 -14.690 1.00 0.00 H new ATOM 0 HB3 ALA A 52 105.434 24.240 -13.463 1.00 0.00 H new ATOM 693 N SER A 53 106.209 24.237 -10.577 1.00 0.00 N ATOM 694 CA SER A 53 105.833 24.881 -9.284 1.00 0.00 C ATOM 695 C SER A 53 106.016 23.898 -8.121 1.00 0.00 C ATOM 696 O SER A 53 105.746 22.719 -8.244 1.00 0.00 O ATOM 697 CB SER A 53 104.359 25.251 -9.442 1.00 0.00 C ATOM 698 OG SER A 53 103.933 25.978 -8.298 1.00 0.00 O ATOM 0 H SER A 53 105.732 23.358 -10.778 1.00 0.00 H new ATOM 0 HA SER A 53 106.454 25.749 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 53 104.217 25.850 -10.342 1.00 0.00 H new ATOM 0 HB3 SER A 53 103.757 24.350 -9.560 1.00 0.00 H new ATOM 0 HG SER A 53 102.988 26.219 -8.397 1.00 0.00 H new ATOM 703 N SER A 54 106.464 24.384 -6.990 1.00 0.00 N ATOM 704 CA SER A 54 106.663 23.496 -5.799 1.00 0.00 C ATOM 705 C SER A 54 107.461 22.238 -6.165 1.00 0.00 C ATOM 706 O SER A 54 107.344 21.213 -5.521 1.00 0.00 O ATOM 707 CB SER A 54 105.251 23.118 -5.349 1.00 0.00 C ATOM 708 OG SER A 54 104.514 24.302 -5.073 1.00 0.00 O ATOM 0 H SER A 54 106.702 25.364 -6.838 1.00 0.00 H new ATOM 0 HA SER A 54 107.231 23.999 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 54 104.752 22.538 -6.126 1.00 0.00 H new ATOM 0 HB3 SER A 54 105.296 22.488 -4.460 1.00 0.00 H new ATOM 0 HG SER A 54 103.608 24.064 -4.786 1.00 0.00 H new ATOM 713 N GLY A 55 108.271 22.307 -7.191 1.00 0.00 N ATOM 714 CA GLY A 55 109.072 21.111 -7.590 1.00 0.00 C ATOM 715 C GLY A 55 110.556 21.479 -7.649 1.00 0.00 C ATOM 716 O GLY A 55 111.356 20.994 -6.872 1.00 0.00 O ATOM 0 H GLY A 55 108.412 23.137 -7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 55 108.916 20.303 -6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 55 108.739 20.746 -8.562 1.00 0.00 H new ATOM 719 N ASP A 56 110.930 22.321 -8.576 1.00 0.00 N ATOM 720 CA ASP A 56 112.368 22.718 -8.713 1.00 0.00 C ATOM 721 C ASP A 56 112.943 23.188 -7.370 1.00 0.00 C ATOM 722 O ASP A 56 114.112 23.001 -7.094 1.00 0.00 O ATOM 723 CB ASP A 56 112.368 23.868 -9.724 1.00 0.00 C ATOM 724 CG ASP A 56 111.974 23.346 -11.111 1.00 0.00 C ATOM 725 OD1 ASP A 56 112.008 22.141 -11.307 1.00 0.00 O ATOM 726 OD2 ASP A 56 111.643 24.163 -11.954 1.00 0.00 O ATOM 0 H ASP A 56 110.299 22.755 -9.250 1.00 0.00 H new ATOM 0 HA ASP A 56 112.986 21.881 -9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 56 111.670 24.643 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 56 113.356 24.326 -9.766 1.00 0.00 H new ATOM 730 N TYR A 57 112.140 23.803 -6.542 1.00 0.00 N ATOM 731 CA TYR A 57 112.657 24.286 -5.228 1.00 0.00 C ATOM 732 C TYR A 57 111.916 23.615 -4.063 1.00 0.00 C ATOM 733 O TYR A 57 110.837 23.077 -4.222 1.00 0.00 O ATOM 734 CB TYR A 57 112.419 25.804 -5.240 1.00 0.00 C ATOM 735 CG TYR A 57 110.937 26.108 -5.182 1.00 0.00 C ATOM 736 CD1 TYR A 57 110.190 26.178 -6.364 1.00 0.00 C ATOM 737 CD2 TYR A 57 110.313 26.318 -3.946 1.00 0.00 C ATOM 738 CE1 TYR A 57 108.820 26.461 -6.311 1.00 0.00 C ATOM 739 CE2 TYR A 57 108.943 26.601 -3.893 1.00 0.00 C ATOM 740 CZ TYR A 57 108.196 26.672 -5.075 1.00 0.00 C ATOM 741 OH TYR A 57 106.846 26.950 -5.023 1.00 0.00 O ATOM 0 H TYR A 57 111.153 23.991 -6.718 1.00 0.00 H new ATOM 0 HA TYR A 57 113.710 24.043 -5.089 1.00 0.00 H new ATOM 0 HB2 TYR A 57 112.924 26.264 -4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 57 112.851 26.239 -6.142 1.00 0.00 H new ATOM 0 HD1 TYR A 57 110.671 26.014 -7.317 1.00 0.00 H new ATOM 0 HD2 TYR A 57 110.889 26.262 -3.034 1.00 0.00 H new ATOM 0 HE1 TYR A 57 108.244 26.517 -7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 57 108.462 26.765 -2.940 1.00 0.00 H new ATOM 0 HH TYR A 57 106.572 27.068 -4.090 1.00 0.00 H new ATOM 750 N ASN A 58 112.501 23.648 -2.892 1.00 0.00 N ATOM 751 CA ASN A 58 111.862 23.021 -1.692 1.00 0.00 C ATOM 752 C ASN A 58 111.589 21.533 -1.938 1.00 0.00 C ATOM 753 O ASN A 58 110.607 20.990 -1.470 1.00 0.00 O ATOM 754 CB ASN A 58 110.546 23.781 -1.485 1.00 0.00 C ATOM 755 CG ASN A 58 110.042 23.554 -0.059 1.00 0.00 C ATOM 756 OD1 ASN A 58 110.808 23.219 0.823 1.00 0.00 O ATOM 757 ND2 ASN A 58 108.776 23.726 0.206 1.00 0.00 N ATOM 0 H ASN A 58 113.404 24.087 -2.713 1.00 0.00 H new ATOM 0 HA ASN A 58 112.508 23.081 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 58 110.697 24.846 -1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 58 109.801 23.440 -2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 58 108.429 23.579 1.154 1.00 0.00 H new ATOM 0 HD22 ASN A 58 108.134 24.007 -0.535 1.00 0.00 H new ATOM 763 N LYS A 59 112.450 20.870 -2.667 1.00 0.00 N ATOM 764 CA LYS A 59 112.239 19.416 -2.941 1.00 0.00 C ATOM 765 C LYS A 59 112.642 18.578 -1.721 1.00 0.00 C ATOM 766 O LYS A 59 113.603 18.880 -1.041 1.00 0.00 O ATOM 767 CB LYS A 59 113.135 19.099 -4.148 1.00 0.00 C ATOM 768 CG LYS A 59 114.614 19.218 -3.758 1.00 0.00 C ATOM 769 CD LYS A 59 115.488 19.018 -4.998 1.00 0.00 C ATOM 770 CE LYS A 59 116.943 18.815 -4.569 1.00 0.00 C ATOM 771 NZ LYS A 59 117.319 20.077 -3.871 1.00 0.00 N ATOM 0 H LYS A 59 113.289 21.272 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 59 111.194 19.183 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.927 18.092 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 59 112.911 19.784 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 59 114.807 20.196 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 59 114.862 18.474 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 59 115.141 18.154 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 59 115.409 19.884 -5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 59 117.043 17.954 -3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 59 117.587 18.633 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 118.355 20.166 -3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 116.913 20.889 -4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 116.951 20.059 -2.898 1.00 0.00 H new ATOM 781 N ASN A 60 111.910 17.531 -1.440 1.00 0.00 N ATOM 782 CA ASN A 60 112.244 16.673 -0.265 1.00 0.00 C ATOM 783 C ASN A 60 112.741 15.300 -0.729 1.00 0.00 C ATOM 784 O ASN A 60 112.507 14.893 -1.851 1.00 0.00 O ATOM 785 CB ASN A 60 110.934 16.536 0.512 1.00 0.00 C ATOM 786 CG ASN A 60 110.500 17.908 1.034 1.00 0.00 C ATOM 787 OD1 ASN A 60 111.293 18.826 1.104 1.00 0.00 O ATOM 788 ND2 ASN A 60 109.262 18.087 1.409 1.00 0.00 N ATOM 0 H ASN A 60 111.094 17.233 -1.975 1.00 0.00 H new ATOM 0 HA ASN A 60 113.037 17.104 0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 60 110.160 16.119 -0.132 1.00 0.00 H new ATOM 0 HB3 ASN A 60 111.064 15.844 1.344 1.00 0.00 H new ATOM 0 HD21 ASN A 60 108.962 18.996 1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 60 108.595 17.317 1.351 1.00 0.00 H new ATOM 794 N GLN A 61 113.417 14.579 0.130 1.00 0.00 N ATOM 795 CA GLN A 61 113.923 13.227 -0.253 1.00 0.00 C ATOM 796 C GLN A 61 113.376 12.173 0.716 1.00 0.00 C ATOM 797 O GLN A 61 113.088 12.468 1.863 1.00 0.00 O ATOM 798 CB GLN A 61 115.444 13.325 -0.140 1.00 0.00 C ATOM 799 CG GLN A 61 115.964 14.357 -1.143 1.00 0.00 C ATOM 800 CD GLN A 61 117.482 14.492 -1.005 1.00 0.00 C ATOM 801 OE1 GLN A 61 118.047 14.135 0.010 1.00 0.00 O ATOM 802 NE2 GLN A 61 118.171 14.993 -1.993 1.00 0.00 N ATOM 0 H GLN A 61 113.640 14.870 1.082 1.00 0.00 H new ATOM 0 HA GLN A 61 113.611 12.934 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 61 115.726 13.612 0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 61 115.897 12.353 -0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 61 115.707 14.053 -2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 61 115.486 15.321 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 61 117.697 15.293 -2.845 1.00 0.00 H new ATOM 0 HE22 GLN A 61 119.184 15.085 -1.913 1.00 0.00 H new ATOM 809 N TYR A 62 113.222 10.950 0.267 1.00 0.00 N ATOM 810 CA TYR A 62 112.684 9.886 1.168 1.00 0.00 C ATOM 811 C TYR A 62 113.670 8.717 1.296 1.00 0.00 C ATOM 812 O TYR A 62 113.660 7.791 0.510 1.00 0.00 O ATOM 813 CB TYR A 62 111.394 9.421 0.495 1.00 0.00 C ATOM 814 CG TYR A 62 110.695 8.416 1.380 1.00 0.00 C ATOM 815 CD1 TYR A 62 109.854 8.855 2.408 1.00 0.00 C ATOM 816 CD2 TYR A 62 110.891 7.045 1.172 1.00 0.00 C ATOM 817 CE1 TYR A 62 109.206 7.924 3.228 1.00 0.00 C ATOM 818 CE2 TYR A 62 110.245 6.114 1.993 1.00 0.00 C ATOM 819 CZ TYR A 62 109.402 6.553 3.022 1.00 0.00 C ATOM 820 OH TYR A 62 108.764 5.635 3.831 1.00 0.00 O ATOM 0 H TYR A 62 113.445 10.645 -0.680 1.00 0.00 H new ATOM 0 HA TYR A 62 112.518 10.259 2.179 1.00 0.00 H new ATOM 0 HB2 TYR A 62 110.741 10.274 0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 62 111.618 8.974 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 62 109.705 9.912 2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 62 111.540 6.706 0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 62 108.555 8.263 4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 62 110.396 5.057 1.833 1.00 0.00 H new ATOM 0 HH TYR A 62 109.008 4.728 3.552 1.00 0.00 H new ATOM 829 N TYR A 63 114.505 8.760 2.296 1.00 0.00 N ATOM 830 CA TYR A 63 115.494 7.659 2.507 1.00 0.00 C ATOM 831 C TYR A 63 114.936 6.714 3.561 1.00 0.00 C ATOM 832 O TYR A 63 114.181 7.136 4.415 1.00 0.00 O ATOM 833 CB TYR A 63 116.767 8.345 3.005 1.00 0.00 C ATOM 834 CG TYR A 63 117.887 7.334 3.078 1.00 0.00 C ATOM 835 CD1 TYR A 63 118.649 7.053 1.938 1.00 0.00 C ATOM 836 CD2 TYR A 63 118.164 6.680 4.284 1.00 0.00 C ATOM 837 CE1 TYR A 63 119.687 6.118 2.003 1.00 0.00 C ATOM 838 CE2 TYR A 63 119.204 5.745 4.350 1.00 0.00 C ATOM 839 CZ TYR A 63 119.965 5.463 3.210 1.00 0.00 C ATOM 840 OH TYR A 63 120.990 4.541 3.275 1.00 0.00 O ATOM 0 H TYR A 63 114.547 9.514 2.982 1.00 0.00 H new ATOM 0 HA TYR A 63 115.695 7.080 1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 63 117.041 9.159 2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 63 116.595 8.785 3.987 1.00 0.00 H new ATOM 0 HD1 TYR A 63 118.435 7.558 1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 63 117.576 6.897 5.163 1.00 0.00 H new ATOM 0 HE1 TYR A 63 120.274 5.901 1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 63 119.419 5.241 5.281 1.00 0.00 H new ATOM 0 HH TYR A 63 121.049 4.181 4.184 1.00 0.00 H new ATOM 849 N GLY A 64 115.267 5.443 3.531 1.00 0.00 N ATOM 850 CA GLY A 64 114.697 4.545 4.567 1.00 0.00 C ATOM 851 C GLY A 64 115.538 3.280 4.741 1.00 0.00 C ATOM 852 O GLY A 64 115.894 2.609 3.791 1.00 0.00 O ATOM 0 H GLY A 64 115.890 5.005 2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 64 114.637 5.076 5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 64 113.679 4.270 4.291 1.00 0.00 H new ATOM 855 N ILE A 65 115.819 2.946 5.970 1.00 0.00 N ATOM 856 CA ILE A 65 116.599 1.708 6.260 1.00 0.00 C ATOM 857 C ILE A 65 115.601 0.619 6.635 1.00 0.00 C ATOM 858 O ILE A 65 114.651 0.881 7.344 1.00 0.00 O ATOM 859 CB ILE A 65 117.530 2.059 7.432 1.00 0.00 C ATOM 860 CG1 ILE A 65 116.708 2.417 8.679 1.00 0.00 C ATOM 861 CG2 ILE A 65 118.409 3.252 7.048 1.00 0.00 C ATOM 862 CD1 ILE A 65 117.649 2.612 9.871 1.00 0.00 C ATOM 0 H ILE A 65 115.540 3.481 6.792 1.00 0.00 H new ATOM 0 HA ILE A 65 117.191 1.352 5.417 1.00 0.00 H new ATOM 0 HB ILE A 65 118.155 1.194 7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 65 116.135 3.327 8.501 1.00 0.00 H new ATOM 0 HG13 ILE A 65 115.990 1.626 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 65 119.069 3.500 7.879 1.00 0.00 H new ATOM 0 HG22 ILE A 65 119.007 2.996 6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 65 117.777 4.110 6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 65 117.067 2.866 10.757 1.00 0.00 H new ATOM 0 HD12 ILE A 65 118.202 1.690 10.053 1.00 0.00 H new ATOM 0 HD13 ILE A 65 118.349 3.418 9.654 1.00 0.00 H new ATOM 873 N THR A 66 115.779 -0.593 6.172 1.00 0.00 N ATOM 874 CA THR A 66 114.793 -1.649 6.533 1.00 0.00 C ATOM 875 C THR A 66 115.426 -3.043 6.507 1.00 0.00 C ATOM 876 O THR A 66 116.303 -3.326 5.713 1.00 0.00 O ATOM 877 CB THR A 66 113.691 -1.523 5.473 1.00 0.00 C ATOM 878 OG1 THR A 66 112.658 -2.460 5.742 1.00 0.00 O ATOM 879 CG2 THR A 66 114.267 -1.782 4.079 1.00 0.00 C ATOM 0 H THR A 66 116.549 -0.890 5.572 1.00 0.00 H new ATOM 0 HA THR A 66 114.412 -1.522 7.546 1.00 0.00 H new ATOM 0 HB THR A 66 113.284 -0.513 5.507 1.00 0.00 H new ATOM 0 HG1 THR A 66 112.769 -2.818 6.647 1.00 0.00 H new ATOM 0 HG21 THR A 66 113.475 -1.690 3.335 1.00 0.00 H new ATOM 0 HG22 THR A 66 115.050 -1.054 3.868 1.00 0.00 H new ATOM 0 HG23 THR A 66 114.686 -2.787 4.040 1.00 0.00 H new ATOM 887 N ALA A 67 114.969 -3.920 7.360 1.00 0.00 N ATOM 888 CA ALA A 67 115.511 -5.308 7.389 1.00 0.00 C ATOM 889 C ALA A 67 114.399 -6.262 7.833 1.00 0.00 C ATOM 890 O ALA A 67 113.505 -5.875 8.559 1.00 0.00 O ATOM 891 CB ALA A 67 116.644 -5.278 8.417 1.00 0.00 C ATOM 0 H ALA A 67 114.236 -3.732 8.044 1.00 0.00 H new ATOM 0 HA ALA A 67 115.871 -5.646 6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 67 117.092 -6.269 8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 67 117.401 -4.560 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 67 116.246 -4.984 9.388 1.00 0.00 H new ATOM 897 N GLY A 68 114.432 -7.498 7.405 1.00 0.00 N ATOM 898 CA GLY A 68 113.354 -8.446 7.817 1.00 0.00 C ATOM 899 C GLY A 68 113.788 -9.894 7.567 1.00 0.00 C ATOM 900 O GLY A 68 114.751 -10.141 6.870 1.00 0.00 O ATOM 0 H GLY A 68 115.150 -7.889 6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 68 113.123 -8.307 8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 68 112.442 -8.232 7.260 1.00 0.00 H new ATOM 903 N PRO A 69 113.054 -10.813 8.151 1.00 0.00 N ATOM 904 CA PRO A 69 113.365 -12.253 7.985 1.00 0.00 C ATOM 905 C PRO A 69 112.926 -12.745 6.601 1.00 0.00 C ATOM 906 O PRO A 69 112.237 -12.057 5.875 1.00 0.00 O ATOM 907 CB PRO A 69 112.547 -12.928 9.080 1.00 0.00 C ATOM 908 CG PRO A 69 111.412 -11.994 9.355 1.00 0.00 C ATOM 909 CD PRO A 69 111.880 -10.602 9.014 1.00 0.00 C ATOM 0 HA PRO A 69 114.431 -12.467 8.060 1.00 0.00 H new ATOM 0 HB2 PRO A 69 112.184 -13.903 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 69 113.147 -13.092 9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 69 110.541 -12.263 8.758 1.00 0.00 H new ATOM 0 HG3 PRO A 69 111.112 -12.052 10.401 1.00 0.00 H new ATOM 0 HD2 PRO A 69 111.104 -10.037 8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 69 112.141 -10.040 9.910 1.00 0.00 H new ATOM 914 N ALA A 70 113.310 -13.943 6.247 1.00 0.00 N ATOM 915 CA ALA A 70 112.908 -14.507 4.922 1.00 0.00 C ATOM 916 C ALA A 70 112.761 -16.025 5.038 1.00 0.00 C ATOM 917 O ALA A 70 113.537 -16.673 5.714 1.00 0.00 O ATOM 918 CB ALA A 70 114.049 -14.143 3.973 1.00 0.00 C ATOM 0 H ALA A 70 113.887 -14.559 6.820 1.00 0.00 H new ATOM 0 HA ALA A 70 111.954 -14.116 4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 70 113.828 -14.524 2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 70 114.157 -13.059 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 70 114.977 -14.586 4.333 1.00 0.00 H new ATOM 924 N TYR A 71 111.769 -16.599 4.399 1.00 0.00 N ATOM 925 CA TYR A 71 111.584 -18.078 4.501 1.00 0.00 C ATOM 926 C TYR A 71 111.597 -18.717 3.114 1.00 0.00 C ATOM 927 O TYR A 71 111.061 -18.179 2.165 1.00 0.00 O ATOM 928 CB TYR A 71 110.218 -18.264 5.165 1.00 0.00 C ATOM 929 CG TYR A 71 110.224 -17.613 6.528 1.00 0.00 C ATOM 930 CD1 TYR A 71 110.819 -18.265 7.614 1.00 0.00 C ATOM 931 CD2 TYR A 71 109.634 -16.355 6.704 1.00 0.00 C ATOM 932 CE1 TYR A 71 110.824 -17.660 8.876 1.00 0.00 C ATOM 933 CE2 TYR A 71 109.639 -15.751 7.966 1.00 0.00 C ATOM 934 CZ TYR A 71 110.234 -16.403 9.052 1.00 0.00 C ATOM 935 OH TYR A 71 110.239 -15.807 10.297 1.00 0.00 O ATOM 0 H TYR A 71 111.087 -16.112 3.818 1.00 0.00 H new ATOM 0 HA TYR A 71 112.383 -18.551 5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 71 109.438 -17.824 4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.990 -19.326 5.259 1.00 0.00 H new ATOM 0 HD1 TYR A 71 111.274 -19.235 7.478 1.00 0.00 H new ATOM 0 HD2 TYR A 71 109.175 -15.851 5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 71 111.283 -18.163 9.714 1.00 0.00 H new ATOM 0 HE2 TYR A 71 109.184 -14.781 8.102 1.00 0.00 H new ATOM 0 HH TYR A 71 109.790 -14.938 10.245 1.00 0.00 H new ATOM 944 N ARG A 72 112.197 -19.872 2.997 1.00 0.00 N ATOM 945 CA ARG A 72 112.233 -20.560 1.677 1.00 0.00 C ATOM 946 C ARG A 72 111.321 -21.788 1.701 1.00 0.00 C ATOM 947 O ARG A 72 111.766 -22.895 1.939 1.00 0.00 O ATOM 948 CB ARG A 72 113.692 -20.976 1.488 1.00 0.00 C ATOM 949 CG ARG A 72 113.874 -21.584 0.096 1.00 0.00 C ATOM 950 CD ARG A 72 115.325 -22.046 -0.074 1.00 0.00 C ATOM 951 NE ARG A 72 115.426 -22.494 -1.492 1.00 0.00 N ATOM 952 CZ ARG A 72 116.446 -23.210 -1.876 1.00 0.00 C ATOM 953 NH1 ARG A 72 116.536 -24.462 -1.517 1.00 0.00 N ATOM 954 NH2 ARG A 72 117.377 -22.675 -2.617 1.00 0.00 N ATOM 0 H ARG A 72 112.662 -20.367 3.758 1.00 0.00 H new ATOM 0 HA ARG A 72 111.885 -19.921 0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 72 114.346 -20.112 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 72 113.977 -21.699 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 72 113.195 -22.426 -0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 72 113.623 -20.849 -0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 72 116.024 -21.236 0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 72 115.564 -22.857 0.614 1.00 0.00 H new ATOM 0 HE ARG A 72 114.699 -22.241 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 72 115.809 -24.880 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 72 117.334 -25.023 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 72 117.307 -21.696 -2.896 1.00 0.00 H new ATOM 0 HH22 ARG A 72 118.175 -23.235 -2.917 1.00 0.00 H new ATOM 965 N ILE A 73 110.054 -21.605 1.438 1.00 0.00 N ATOM 966 CA ILE A 73 109.118 -22.768 1.426 1.00 0.00 C ATOM 967 C ILE A 73 109.377 -23.604 0.174 1.00 0.00 C ATOM 968 O ILE A 73 109.487 -24.814 0.226 1.00 0.00 O ATOM 969 CB ILE A 73 107.711 -22.161 1.390 1.00 0.00 C ATOM 970 CG1 ILE A 73 107.513 -21.211 2.582 1.00 0.00 C ATOM 971 CG2 ILE A 73 106.672 -23.281 1.459 1.00 0.00 C ATOM 972 CD1 ILE A 73 107.791 -21.948 3.897 1.00 0.00 C ATOM 0 H ILE A 73 109.627 -20.702 1.231 1.00 0.00 H new ATOM 0 HA ILE A 73 109.244 -23.419 2.291 1.00 0.00 H new ATOM 0 HB ILE A 73 107.590 -21.601 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 73 108.180 -20.354 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 73 106.494 -20.823 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 73 105.671 -22.851 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 73 106.801 -23.950 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 73 106.802 -23.842 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 73 107.648 -21.265 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 73 107.106 -22.790 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 73 108.818 -22.314 3.899 1.00 0.00 H new ATOM 983 N ASN A 74 109.490 -22.948 -0.948 1.00 0.00 N ATOM 984 CA ASN A 74 109.759 -23.664 -2.225 1.00 0.00 C ATOM 985 C ASN A 74 110.747 -22.848 -3.061 1.00 0.00 C ATOM 986 O ASN A 74 110.753 -21.634 -3.010 1.00 0.00 O ATOM 987 CB ASN A 74 108.403 -23.754 -2.928 1.00 0.00 C ATOM 988 CG ASN A 74 107.424 -24.542 -2.055 1.00 0.00 C ATOM 989 OD1 ASN A 74 107.793 -25.525 -1.444 1.00 0.00 O ATOM 990 ND2 ASN A 74 106.182 -24.149 -1.970 1.00 0.00 N ATOM 0 H ASN A 74 109.406 -21.935 -1.034 1.00 0.00 H new ATOM 0 HA ASN A 74 110.194 -24.652 -2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 74 108.013 -22.754 -3.118 1.00 0.00 H new ATOM 0 HB3 ASN A 74 108.516 -24.241 -3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 74 105.522 -24.667 -1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 74 105.872 -23.324 -2.483 1.00 0.00 H new ATOM 996 N ASP A 75 111.578 -23.495 -3.830 1.00 0.00 N ATOM 997 CA ASP A 75 112.560 -22.743 -4.669 1.00 0.00 C ATOM 998 C ASP A 75 111.825 -21.781 -5.610 1.00 0.00 C ATOM 999 O ASP A 75 112.309 -20.710 -5.923 1.00 0.00 O ATOM 1000 CB ASP A 75 113.307 -23.812 -5.471 1.00 0.00 C ATOM 1001 CG ASP A 75 114.153 -24.676 -4.528 1.00 0.00 C ATOM 1002 OD1 ASP A 75 114.392 -24.250 -3.410 1.00 0.00 O ATOM 1003 OD2 ASP A 75 114.552 -25.752 -4.946 1.00 0.00 O ATOM 0 H ASP A 75 111.622 -24.510 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 75 113.240 -22.142 -4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 75 112.596 -24.437 -6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 75 113.946 -23.339 -6.217 1.00 0.00 H new ATOM 1007 N TRP A 76 110.666 -22.169 -6.070 1.00 0.00 N ATOM 1008 CA TRP A 76 109.890 -21.300 -7.006 1.00 0.00 C ATOM 1009 C TRP A 76 109.534 -19.949 -6.368 1.00 0.00 C ATOM 1010 O TRP A 76 109.494 -18.938 -7.043 1.00 0.00 O ATOM 1011 CB TRP A 76 108.616 -22.089 -7.314 1.00 0.00 C ATOM 1012 CG TRP A 76 108.968 -23.328 -8.074 1.00 0.00 C ATOM 1013 CD1 TRP A 76 108.967 -24.580 -7.563 1.00 0.00 C ATOM 1014 CD2 TRP A 76 109.374 -23.455 -9.468 1.00 0.00 C ATOM 1015 NE1 TRP A 76 109.345 -25.468 -8.553 1.00 0.00 N ATOM 1016 CE2 TRP A 76 109.607 -24.822 -9.745 1.00 0.00 C ATOM 1017 CE3 TRP A 76 109.560 -22.526 -10.508 1.00 0.00 C ATOM 1018 CZ2 TRP A 76 110.010 -25.254 -11.010 1.00 0.00 C ATOM 1019 CZ3 TRP A 76 109.966 -22.957 -11.782 1.00 0.00 C ATOM 1020 CH2 TRP A 76 110.191 -24.319 -12.032 1.00 0.00 C ATOM 0 H TRP A 76 110.219 -23.056 -5.837 1.00 0.00 H new ATOM 0 HA TRP A 76 110.470 -21.069 -7.900 1.00 0.00 H new ATOM 0 HB2 TRP A 76 108.105 -22.351 -6.388 1.00 0.00 H new ATOM 0 HB3 TRP A 76 107.928 -21.476 -7.896 1.00 0.00 H new ATOM 0 HD1 TRP A 76 108.712 -24.843 -6.547 1.00 0.00 H new ATOM 0 HE1 TRP A 76 109.421 -26.476 -8.419 1.00 0.00 H new ATOM 0 HE3 TRP A 76 109.390 -21.475 -10.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 110.181 -26.304 -11.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 110.106 -22.236 -12.574 1.00 0.00 H new ATOM 0 HH2 TRP A 76 110.504 -24.644 -13.013 1.00 0.00 H new ATOM 1030 N ALA A 77 109.253 -19.917 -5.086 1.00 0.00 N ATOM 1031 CA ALA A 77 108.877 -18.615 -4.448 1.00 0.00 C ATOM 1032 C ALA A 77 109.420 -18.501 -3.018 1.00 0.00 C ATOM 1033 O ALA A 77 109.738 -19.482 -2.377 1.00 0.00 O ATOM 1034 CB ALA A 77 107.350 -18.615 -4.435 1.00 0.00 C ATOM 0 H ALA A 77 109.267 -20.724 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 77 109.297 -17.771 -4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 77 106.990 -17.691 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 77 106.977 -18.687 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 77 106.991 -19.467 -3.857 1.00 0.00 H new ATOM 1040 N SER A 78 109.514 -17.295 -2.519 1.00 0.00 N ATOM 1041 CA SER A 78 110.022 -17.075 -1.126 1.00 0.00 C ATOM 1042 C SER A 78 109.170 -16.007 -0.430 1.00 0.00 C ATOM 1043 O SER A 78 108.565 -15.180 -1.082 1.00 0.00 O ATOM 1044 CB SER A 78 111.460 -16.589 -1.300 1.00 0.00 C ATOM 1045 OG SER A 78 112.073 -16.476 -0.023 1.00 0.00 O ATOM 0 H SER A 78 109.259 -16.444 -3.020 1.00 0.00 H new ATOM 0 HA SER A 78 109.974 -17.976 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 78 112.019 -17.286 -1.925 1.00 0.00 H new ATOM 0 HB3 SER A 78 111.472 -15.625 -1.809 1.00 0.00 H new ATOM 0 HG SER A 78 111.630 -17.081 0.607 1.00 0.00 H new ATOM 1050 N ILE A 79 109.111 -16.011 0.883 1.00 0.00 N ATOM 1051 CA ILE A 79 108.284 -14.984 1.588 1.00 0.00 C ATOM 1052 C ILE A 79 109.109 -14.292 2.679 1.00 0.00 C ATOM 1053 O ILE A 79 109.855 -14.926 3.397 1.00 0.00 O ATOM 1054 CB ILE A 79 107.115 -15.767 2.195 1.00 0.00 C ATOM 1055 CG1 ILE A 79 106.186 -14.805 2.943 1.00 0.00 C ATOM 1056 CG2 ILE A 79 107.642 -16.823 3.168 1.00 0.00 C ATOM 1057 CD1 ILE A 79 104.850 -15.498 3.219 1.00 0.00 C ATOM 0 H ILE A 79 109.595 -16.674 1.489 1.00 0.00 H new ATOM 0 HA ILE A 79 107.938 -14.197 0.917 1.00 0.00 H new ATOM 0 HB ILE A 79 106.564 -16.260 1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 79 106.646 -14.493 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 79 106.025 -13.904 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 79 106.804 -17.375 3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 79 108.298 -17.513 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 79 108.200 -16.335 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 79 104.189 -14.814 3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 79 104.389 -15.788 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 79 105.020 -16.386 3.828 1.00 0.00 H new ATOM 1068 N TYR A 80 108.984 -12.994 2.801 1.00 0.00 N ATOM 1069 CA TYR A 80 109.772 -12.270 3.841 1.00 0.00 C ATOM 1070 C TYR A 80 108.997 -11.067 4.395 1.00 0.00 C ATOM 1071 O TYR A 80 108.057 -10.584 3.795 1.00 0.00 O ATOM 1072 CB TYR A 80 111.044 -11.819 3.114 1.00 0.00 C ATOM 1073 CG TYR A 80 110.694 -10.834 2.022 1.00 0.00 C ATOM 1074 CD1 TYR A 80 110.327 -11.299 0.754 1.00 0.00 C ATOM 1075 CD2 TYR A 80 110.735 -9.458 2.278 1.00 0.00 C ATOM 1076 CE1 TYR A 80 110.001 -10.390 -0.258 1.00 0.00 C ATOM 1077 CE2 TYR A 80 110.409 -8.548 1.265 1.00 0.00 C ATOM 1078 CZ TYR A 80 110.042 -9.014 -0.003 1.00 0.00 C ATOM 1079 OH TYR A 80 109.721 -8.115 -1.002 1.00 0.00 O ATOM 0 H TYR A 80 108.375 -12.409 2.229 1.00 0.00 H new ATOM 0 HA TYR A 80 109.988 -12.901 4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 80 111.734 -11.360 3.822 1.00 0.00 H new ATOM 0 HB3 TYR A 80 111.554 -12.682 2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 80 110.295 -12.360 0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 80 111.018 -9.099 3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 80 109.718 -10.750 -1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 80 110.441 -7.487 1.462 1.00 0.00 H new ATOM 0 HH TYR A 80 110.051 -8.450 -1.862 1.00 0.00 H new ATOM 1088 N GLY A 81 109.411 -10.578 5.533 1.00 0.00 N ATOM 1089 CA GLY A 81 108.736 -9.397 6.144 1.00 0.00 C ATOM 1090 C GLY A 81 109.663 -8.188 6.019 1.00 0.00 C ATOM 1091 O GLY A 81 110.840 -8.336 5.751 1.00 0.00 O ATOM 0 H GLY A 81 110.195 -10.950 6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 81 107.789 -9.201 5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 81 108.507 -9.592 7.192 1.00 0.00 H new ATOM 1094 N VAL A 82 109.154 -6.996 6.203 1.00 0.00 N ATOM 1095 CA VAL A 82 110.037 -5.799 6.084 1.00 0.00 C ATOM 1096 C VAL A 82 109.687 -4.736 7.130 1.00 0.00 C ATOM 1097 O VAL A 82 108.539 -4.398 7.335 1.00 0.00 O ATOM 1098 CB VAL A 82 109.794 -5.261 4.671 1.00 0.00 C ATOM 1099 CG1 VAL A 82 110.197 -6.324 3.646 1.00 0.00 C ATOM 1100 CG2 VAL A 82 108.310 -4.908 4.489 1.00 0.00 C ATOM 0 H VAL A 82 108.178 -6.802 6.428 1.00 0.00 H new ATOM 0 HA VAL A 82 111.082 -6.058 6.255 1.00 0.00 H new ATOM 0 HB VAL A 82 110.393 -4.363 4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 82 110.025 -5.943 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 82 111.253 -6.564 3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 82 109.600 -7.223 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 82 108.148 -4.526 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 82 107.702 -5.800 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 82 108.025 -4.147 5.215 1.00 0.00 H new ATOM 1110 N VAL A 83 110.687 -4.192 7.763 1.00 0.00 N ATOM 1111 CA VAL A 83 110.469 -3.119 8.776 1.00 0.00 C ATOM 1112 C VAL A 83 111.555 -2.061 8.576 1.00 0.00 C ATOM 1113 O VAL A 83 112.648 -2.385 8.169 1.00 0.00 O ATOM 1114 CB VAL A 83 110.583 -3.804 10.144 1.00 0.00 C ATOM 1115 CG1 VAL A 83 111.956 -4.467 10.298 1.00 0.00 C ATOM 1116 CG2 VAL A 83 110.398 -2.760 11.249 1.00 0.00 C ATOM 0 H VAL A 83 111.664 -4.449 7.620 1.00 0.00 H new ATOM 0 HA VAL A 83 109.501 -2.626 8.691 1.00 0.00 H new ATOM 0 HB VAL A 83 109.811 -4.570 10.221 1.00 0.00 H new ATOM 0 HG11 VAL A 83 112.020 -4.948 11.274 1.00 0.00 H new ATOM 0 HG12 VAL A 83 112.089 -5.214 9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 83 112.737 -3.711 10.214 1.00 0.00 H new ATOM 0 HG21 VAL A 83 110.478 -3.243 12.223 1.00 0.00 H new ATOM 0 HG22 VAL A 83 111.169 -1.994 11.159 1.00 0.00 H new ATOM 0 HG23 VAL A 83 109.415 -2.299 11.153 1.00 0.00 H new ATOM 1126 N GLY A 84 111.281 -0.809 8.842 1.00 0.00 N ATOM 1127 CA GLY A 84 112.327 0.215 8.637 1.00 0.00 C ATOM 1128 C GLY A 84 111.795 1.602 8.972 1.00 0.00 C ATOM 1129 O GLY A 84 110.660 1.781 9.368 1.00 0.00 O ATOM 0 H GLY A 84 110.386 -0.463 9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 84 113.191 -0.010 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 84 112.669 0.191 7.602 1.00 0.00 H new ATOM 1132 N VAL A 85 112.637 2.577 8.820 1.00 0.00 N ATOM 1133 CA VAL A 85 112.248 3.983 9.129 1.00 0.00 C ATOM 1134 C VAL A 85 112.344 4.860 7.875 1.00 0.00 C ATOM 1135 O VAL A 85 113.240 4.714 7.070 1.00 0.00 O ATOM 1136 CB VAL A 85 113.248 4.449 10.191 1.00 0.00 C ATOM 1137 CG1 VAL A 85 112.910 5.878 10.620 1.00 0.00 C ATOM 1138 CG2 VAL A 85 113.171 3.526 11.410 1.00 0.00 C ATOM 0 H VAL A 85 113.595 2.462 8.490 1.00 0.00 H new ATOM 0 HA VAL A 85 111.218 4.053 9.479 1.00 0.00 H new ATOM 0 HB VAL A 85 114.255 4.420 9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 85 113.622 6.209 11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 85 112.964 6.540 9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 85 111.902 5.905 11.035 1.00 0.00 H new ATOM 0 HG21 VAL A 85 113.884 3.859 12.164 1.00 0.00 H new ATOM 0 HG22 VAL A 85 112.163 3.554 11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 85 113.411 2.506 11.110 1.00 0.00 H new ATOM 1148 N GLY A 86 111.423 5.772 7.717 1.00 0.00 N ATOM 1149 CA GLY A 86 111.444 6.674 6.523 1.00 0.00 C ATOM 1150 C GLY A 86 112.068 8.016 6.915 1.00 0.00 C ATOM 1151 O GLY A 86 111.878 8.494 8.018 1.00 0.00 O ATOM 0 H GLY A 86 110.652 5.934 8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 86 112.016 6.216 5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 86 110.431 6.826 6.149 1.00 0.00 H new ATOM 1154 N TYR A 87 112.812 8.634 6.026 1.00 0.00 N ATOM 1155 CA TYR A 87 113.440 9.942 6.365 1.00 0.00 C ATOM 1156 C TYR A 87 112.887 11.042 5.457 1.00 0.00 C ATOM 1157 O TYR A 87 112.860 10.906 4.250 1.00 0.00 O ATOM 1158 CB TYR A 87 114.935 9.738 6.113 1.00 0.00 C ATOM 1159 CG TYR A 87 115.526 8.868 7.200 1.00 0.00 C ATOM 1160 CD1 TYR A 87 115.168 7.517 7.296 1.00 0.00 C ATOM 1161 CD2 TYR A 87 116.441 9.414 8.109 1.00 0.00 C ATOM 1162 CE1 TYR A 87 115.723 6.715 8.300 1.00 0.00 C ATOM 1163 CE2 TYR A 87 116.995 8.611 9.114 1.00 0.00 C ATOM 1164 CZ TYR A 87 116.637 7.261 9.209 1.00 0.00 C ATOM 1165 OH TYR A 87 117.183 6.470 10.198 1.00 0.00 O ATOM 0 H TYR A 87 113.008 8.287 5.087 1.00 0.00 H new ATOM 0 HA TYR A 87 113.238 10.246 7.392 1.00 0.00 H new ATOM 0 HB2 TYR A 87 115.088 9.273 5.139 1.00 0.00 H new ATOM 0 HB3 TYR A 87 115.444 10.702 6.090 1.00 0.00 H new ATOM 0 HD1 TYR A 87 114.464 7.094 6.595 1.00 0.00 H new ATOM 0 HD2 TYR A 87 116.720 10.455 8.035 1.00 0.00 H new ATOM 0 HE1 TYR A 87 115.446 5.674 8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 87 117.699 9.034 9.816 1.00 0.00 H new ATOM 0 HH TYR A 87 117.799 7.005 10.742 1.00 0.00 H new ATOM 1174 N GLY A 88 112.452 12.132 6.030 1.00 0.00 N ATOM 1175 CA GLY A 88 111.906 13.247 5.206 1.00 0.00 C ATOM 1176 C GLY A 88 112.767 14.491 5.413 1.00 0.00 C ATOM 1177 O GLY A 88 112.810 15.051 6.492 1.00 0.00 O ATOM 0 H GLY A 88 112.452 12.298 7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 88 111.898 12.967 4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 88 110.874 13.453 5.489 1.00 0.00 H new ATOM 1180 N LYS A 89 113.459 14.924 4.391 1.00 0.00 N ATOM 1181 CA LYS A 89 114.324 16.132 4.534 1.00 0.00 C ATOM 1182 C LYS A 89 113.806 17.274 3.656 1.00 0.00 C ATOM 1183 O LYS A 89 113.442 17.074 2.513 1.00 0.00 O ATOM 1184 CB LYS A 89 115.708 15.684 4.063 1.00 0.00 C ATOM 1185 CG LYS A 89 116.238 14.597 5.000 1.00 0.00 C ATOM 1186 CD LYS A 89 117.669 14.232 4.599 1.00 0.00 C ATOM 1187 CE LYS A 89 118.159 13.067 5.460 1.00 0.00 C ATOM 1188 NZ LYS A 89 119.548 12.801 4.992 1.00 0.00 N ATOM 0 H LYS A 89 113.462 14.494 3.466 1.00 0.00 H new ATOM 0 HA LYS A 89 114.337 16.505 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 89 115.651 15.304 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 89 116.392 16.533 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 89 116.216 14.949 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 89 115.599 13.715 4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 89 117.704 13.958 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 89 118.325 15.093 4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 89 118.142 13.324 6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 89 117.525 12.189 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 119.953 12.013 5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 119.532 12.552 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 120.130 13.652 5.130 1.00 0.00 H new ATOM 1198 N PHE A 90 113.780 18.471 4.183 1.00 0.00 N ATOM 1199 CA PHE A 90 113.299 19.637 3.385 1.00 0.00 C ATOM 1200 C PHE A 90 114.187 20.858 3.656 1.00 0.00 C ATOM 1201 O PHE A 90 114.861 20.930 4.666 1.00 0.00 O ATOM 1202 CB PHE A 90 111.863 19.883 3.866 1.00 0.00 C ATOM 1203 CG PHE A 90 111.865 20.230 5.339 1.00 0.00 C ATOM 1204 CD1 PHE A 90 111.874 19.211 6.299 1.00 0.00 C ATOM 1205 CD2 PHE A 90 111.857 21.571 5.741 1.00 0.00 C ATOM 1206 CE1 PHE A 90 111.876 19.533 7.661 1.00 0.00 C ATOM 1207 CE2 PHE A 90 111.860 21.893 7.103 1.00 0.00 C ATOM 1208 CZ PHE A 90 111.870 20.875 8.063 1.00 0.00 C ATOM 0 H PHE A 90 114.072 18.691 5.135 1.00 0.00 H new ATOM 0 HA PHE A 90 113.335 19.453 2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 90 111.412 20.694 3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 90 111.255 18.995 3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 90 111.879 18.177 5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 90 111.849 22.357 5.000 1.00 0.00 H new ATOM 0 HE1 PHE A 90 111.882 18.747 8.402 1.00 0.00 H new ATOM 0 HE2 PHE A 90 111.855 22.927 7.413 1.00 0.00 H new ATOM 0 HZ PHE A 90 111.873 21.124 9.114 1.00 0.00 H new ATOM 1217 N GLN A 91 114.197 21.812 2.762 1.00 0.00 N ATOM 1218 CA GLN A 91 115.049 23.021 2.971 1.00 0.00 C ATOM 1219 C GLN A 91 114.228 24.150 3.601 1.00 0.00 C ATOM 1220 O GLN A 91 113.122 24.434 3.183 1.00 0.00 O ATOM 1221 CB GLN A 91 115.517 23.418 1.570 1.00 0.00 C ATOM 1222 CG GLN A 91 116.348 22.284 0.967 1.00 0.00 C ATOM 1223 CD GLN A 91 116.904 22.724 -0.389 1.00 0.00 C ATOM 1224 OE1 GLN A 91 117.869 23.458 -0.454 1.00 0.00 O ATOM 1225 NE2 GLN A 91 116.329 22.303 -1.484 1.00 0.00 N ATOM 0 H GLN A 91 113.654 21.807 1.899 1.00 0.00 H new ATOM 0 HA GLN A 91 115.884 22.826 3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 91 114.657 23.630 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 91 116.110 24.331 1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 91 117.165 22.021 1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 91 115.733 21.392 0.848 1.00 0.00 H new ATOM 0 HE21 GLN A 91 115.518 21.686 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 91 116.691 22.591 -2.393 1.00 0.00 H new ATOM 1232 N THR A 92 114.767 24.797 4.602 1.00 0.00 N ATOM 1233 CA THR A 92 114.028 25.914 5.263 1.00 0.00 C ATOM 1234 C THR A 92 114.983 27.073 5.580 1.00 0.00 C ATOM 1235 O THR A 92 116.179 26.888 5.689 1.00 0.00 O ATOM 1236 CB THR A 92 113.449 25.299 6.546 1.00 0.00 C ATOM 1237 OG1 THR A 92 112.562 26.229 7.154 1.00 0.00 O ATOM 1238 CG2 THR A 92 114.576 24.945 7.523 1.00 0.00 C ATOM 0 H THR A 92 115.689 24.599 4.991 1.00 0.00 H new ATOM 0 HA THR A 92 113.245 26.330 4.629 1.00 0.00 H new ATOM 0 HB THR A 92 112.909 24.387 6.292 1.00 0.00 H new ATOM 0 HG1 THR A 92 112.189 25.839 7.972 1.00 0.00 H new ATOM 0 HG21 THR A 92 114.150 24.510 8.427 1.00 0.00 H new ATOM 0 HG22 THR A 92 115.249 24.226 7.057 1.00 0.00 H new ATOM 0 HG23 THR A 92 115.131 25.847 7.781 1.00 0.00 H new ATOM 1246 N THR A 93 114.460 28.261 5.730 1.00 0.00 N ATOM 1247 CA THR A 93 115.334 29.433 6.042 1.00 0.00 C ATOM 1248 C THR A 93 115.139 29.891 7.496 1.00 0.00 C ATOM 1249 O THR A 93 115.779 30.822 7.947 1.00 0.00 O ATOM 1250 CB THR A 93 114.893 30.531 5.067 1.00 0.00 C ATOM 1251 OG1 THR A 93 115.662 31.702 5.303 1.00 0.00 O ATOM 1252 CG2 THR A 93 113.408 30.847 5.270 1.00 0.00 C ATOM 0 H THR A 93 113.465 28.472 5.650 1.00 0.00 H new ATOM 0 HA THR A 93 116.391 29.189 5.935 1.00 0.00 H new ATOM 0 HB THR A 93 115.047 30.187 4.044 1.00 0.00 H new ATOM 0 HG1 THR A 93 115.944 31.725 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 93 113.104 31.628 4.573 1.00 0.00 H new ATOM 0 HG22 THR A 93 112.817 29.949 5.089 1.00 0.00 H new ATOM 0 HG23 THR A 93 113.245 31.189 6.292 1.00 0.00 H new ATOM 1260 N GLU A 94 114.262 29.250 8.229 1.00 0.00 N ATOM 1261 CA GLU A 94 114.032 29.659 9.649 1.00 0.00 C ATOM 1262 C GLU A 94 115.311 29.482 10.471 1.00 0.00 C ATOM 1263 O GLU A 94 115.568 30.223 11.400 1.00 0.00 O ATOM 1264 CB GLU A 94 112.934 28.724 10.162 1.00 0.00 C ATOM 1265 CG GLU A 94 111.639 28.983 9.386 1.00 0.00 C ATOM 1266 CD GLU A 94 110.509 28.106 9.942 1.00 0.00 C ATOM 1267 OE1 GLU A 94 110.797 27.219 10.731 1.00 0.00 O ATOM 1268 OE2 GLU A 94 109.372 28.335 9.564 1.00 0.00 O ATOM 0 H GLU A 94 113.697 28.464 7.907 1.00 0.00 H new ATOM 0 HA GLU A 94 113.747 30.708 9.730 1.00 0.00 H new ATOM 0 HB2 GLU A 94 113.241 27.685 10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 94 112.771 28.887 11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 94 111.364 30.035 9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 94 111.790 28.768 8.328 1.00 0.00 H new ATOM 1273 N TYR A 95 116.111 28.504 10.138 1.00 0.00 N ATOM 1274 CA TYR A 95 117.374 28.274 10.902 1.00 0.00 C ATOM 1275 C TYR A 95 118.592 28.420 9.979 1.00 0.00 C ATOM 1276 O TYR A 95 118.919 27.506 9.247 1.00 0.00 O ATOM 1277 CB TYR A 95 117.263 26.838 11.418 1.00 0.00 C ATOM 1278 CG TYR A 95 117.898 26.741 12.785 1.00 0.00 C ATOM 1279 CD1 TYR A 95 119.285 26.871 12.922 1.00 0.00 C ATOM 1280 CD2 TYR A 95 117.099 26.521 13.913 1.00 0.00 C ATOM 1281 CE1 TYR A 95 119.873 26.781 14.189 1.00 0.00 C ATOM 1282 CE2 TYR A 95 117.688 26.431 15.180 1.00 0.00 C ATOM 1283 CZ TYR A 95 119.075 26.561 15.318 1.00 0.00 C ATOM 1284 OH TYR A 95 119.655 26.473 16.568 1.00 0.00 O ATOM 0 H TYR A 95 115.945 27.854 9.370 1.00 0.00 H new ATOM 0 HA TYR A 95 117.504 28.993 11.711 1.00 0.00 H new ATOM 0 HB2 TYR A 95 116.216 26.539 11.470 1.00 0.00 H new ATOM 0 HB3 TYR A 95 117.756 26.153 10.727 1.00 0.00 H new ATOM 0 HD1 TYR A 95 119.901 27.041 12.051 1.00 0.00 H new ATOM 0 HD2 TYR A 95 116.029 26.421 13.806 1.00 0.00 H new ATOM 0 HE1 TYR A 95 120.943 26.881 14.296 1.00 0.00 H new ATOM 0 HE2 TYR A 95 117.072 26.261 16.051 1.00 0.00 H new ATOM 0 HH TYR A 95 118.960 26.320 17.241 1.00 0.00 H new ATOM 1293 N PRO A 96 119.235 29.564 10.041 1.00 0.00 N ATOM 1294 CA PRO A 96 120.430 29.804 9.192 1.00 0.00 C ATOM 1295 C PRO A 96 121.586 28.902 9.636 1.00 0.00 C ATOM 1296 O PRO A 96 121.785 28.678 10.813 1.00 0.00 O ATOM 1297 CB PRO A 96 120.753 31.278 9.430 1.00 0.00 C ATOM 1298 CG PRO A 96 120.159 31.586 10.765 1.00 0.00 C ATOM 1299 CD PRO A 96 118.931 30.724 10.892 1.00 0.00 C ATOM 0 HA PRO A 96 120.263 29.582 8.138 1.00 0.00 H new ATOM 0 HB2 PRO A 96 121.829 31.453 9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 96 120.324 31.908 8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 96 120.868 31.372 11.565 1.00 0.00 H new ATOM 0 HG3 PRO A 96 119.902 32.642 10.841 1.00 0.00 H new ATOM 0 HD2 PRO A 96 118.754 30.428 11.926 1.00 0.00 H new ATOM 0 HD3 PRO A 96 118.037 31.247 10.553 1.00 0.00 H new ATOM 1304 N THR A 97 122.340 28.384 8.696 1.00 0.00 N ATOM 1305 CA THR A 97 123.495 27.481 9.025 1.00 0.00 C ATOM 1306 C THR A 97 123.088 26.407 10.045 1.00 0.00 C ATOM 1307 O THR A 97 121.941 26.310 10.435 1.00 0.00 O ATOM 1308 CB THR A 97 124.591 28.390 9.603 1.00 0.00 C ATOM 1309 OG1 THR A 97 124.172 28.918 10.852 1.00 0.00 O ATOM 1310 CG2 THR A 97 124.883 29.537 8.633 1.00 0.00 C ATOM 0 H THR A 97 122.204 28.550 7.699 1.00 0.00 H new ATOM 0 HA THR A 97 123.841 26.949 8.139 1.00 0.00 H new ATOM 0 HB THR A 97 125.498 27.802 9.747 1.00 0.00 H new ATOM 0 HG1 THR A 97 123.304 28.534 11.095 1.00 0.00 H new ATOM 0 HG21 THR A 97 125.661 30.177 9.050 1.00 0.00 H new ATOM 0 HG22 THR A 97 125.220 29.130 7.680 1.00 0.00 H new ATOM 0 HG23 THR A 97 123.976 30.122 8.478 1.00 0.00 H new ATOM 1318 N TYR A 98 124.026 25.597 10.471 1.00 0.00 N ATOM 1319 CA TYR A 98 123.717 24.516 11.465 1.00 0.00 C ATOM 1320 C TYR A 98 122.452 23.745 11.060 1.00 0.00 C ATOM 1321 O TYR A 98 121.441 23.790 11.735 1.00 0.00 O ATOM 1322 CB TYR A 98 123.500 25.253 12.789 1.00 0.00 C ATOM 1323 CG TYR A 98 123.381 24.250 13.912 1.00 0.00 C ATOM 1324 CD1 TYR A 98 124.535 23.719 14.501 1.00 0.00 C ATOM 1325 CD2 TYR A 98 122.117 23.853 14.367 1.00 0.00 C ATOM 1326 CE1 TYR A 98 124.425 22.790 15.544 1.00 0.00 C ATOM 1327 CE2 TYR A 98 122.007 22.924 15.409 1.00 0.00 C ATOM 1328 CZ TYR A 98 123.162 22.393 15.997 1.00 0.00 C ATOM 1329 OH TYR A 98 123.053 21.477 17.024 1.00 0.00 O ATOM 0 H TYR A 98 125.000 25.637 10.172 1.00 0.00 H new ATOM 0 HA TYR A 98 124.517 23.779 11.529 1.00 0.00 H new ATOM 0 HB2 TYR A 98 124.332 25.931 12.980 1.00 0.00 H new ATOM 0 HB3 TYR A 98 122.598 25.862 12.734 1.00 0.00 H new ATOM 0 HD1 TYR A 98 125.510 24.026 14.151 1.00 0.00 H new ATOM 0 HD2 TYR A 98 121.227 24.264 13.914 1.00 0.00 H new ATOM 0 HE1 TYR A 98 125.315 22.380 15.998 1.00 0.00 H new ATOM 0 HE2 TYR A 98 121.032 22.617 15.759 1.00 0.00 H new ATOM 0 HH TYR A 98 122.106 21.312 17.216 1.00 0.00 H new ATOM 1338 N LYS A 99 122.505 23.035 9.965 1.00 0.00 N ATOM 1339 CA LYS A 99 121.311 22.254 9.518 1.00 0.00 C ATOM 1340 C LYS A 99 121.010 21.136 10.520 1.00 0.00 C ATOM 1341 O LYS A 99 119.868 20.820 10.795 1.00 0.00 O ATOM 1342 CB LYS A 99 121.702 21.670 8.160 1.00 0.00 C ATOM 1343 CG LYS A 99 121.939 22.809 7.167 1.00 0.00 C ATOM 1344 CD LYS A 99 122.217 22.232 5.778 1.00 0.00 C ATOM 1345 CE LYS A 99 122.587 23.365 4.814 1.00 0.00 C ATOM 1346 NZ LYS A 99 121.753 23.128 3.602 1.00 0.00 N ATOM 0 H LYS A 99 123.323 22.961 9.360 1.00 0.00 H new ATOM 0 HA LYS A 99 120.415 22.870 9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 99 122.603 21.065 8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 99 120.914 21.012 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 99 121.067 23.462 7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 99 122.781 23.419 7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 99 123.029 21.506 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 99 121.338 21.701 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 99 122.377 24.341 5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 99 123.650 23.346 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 121.951 23.865 2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 121.979 22.195 3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 120.746 23.159 3.862 1.00 0.00 H new ATOM 1356 N ASN A 100 122.037 20.534 11.066 1.00 0.00 N ATOM 1357 CA ASN A 100 121.846 19.425 12.055 1.00 0.00 C ATOM 1358 C ASN A 100 121.005 18.290 11.456 1.00 0.00 C ATOM 1359 O ASN A 100 120.476 17.462 12.174 1.00 0.00 O ATOM 1360 CB ASN A 100 121.118 20.061 13.244 1.00 0.00 C ATOM 1361 CG ASN A 100 121.267 19.167 14.477 1.00 0.00 C ATOM 1362 OD1 ASN A 100 122.180 18.369 14.557 1.00 0.00 O ATOM 1363 ND2 ASN A 100 120.403 19.268 15.449 1.00 0.00 N ATOM 0 H ASN A 100 123.010 20.765 10.867 1.00 0.00 H new ATOM 0 HA ASN A 100 122.799 18.983 12.347 1.00 0.00 H new ATOM 0 HB2 ASN A 100 121.529 21.050 13.448 1.00 0.00 H new ATOM 0 HB3 ASN A 100 120.063 20.197 13.007 1.00 0.00 H new ATOM 0 HD21 ASN A 100 120.494 18.677 16.276 1.00 0.00 H new ATOM 0 HD22 ASN A 100 119.636 19.938 15.382 1.00 0.00 H new ATOM 1369 N ASP A 101 120.889 18.232 10.150 1.00 0.00 N ATOM 1370 CA ASP A 101 120.094 17.139 9.499 1.00 0.00 C ATOM 1371 C ASP A 101 118.729 16.961 10.179 1.00 0.00 C ATOM 1372 O ASP A 101 118.292 15.852 10.421 1.00 0.00 O ATOM 1373 CB ASP A 101 120.944 15.879 9.672 1.00 0.00 C ATOM 1374 CG ASP A 101 122.252 16.019 8.885 1.00 0.00 C ATOM 1375 OD1 ASP A 101 122.296 16.837 7.978 1.00 0.00 O ATOM 1376 OD2 ASP A 101 123.187 15.301 9.199 1.00 0.00 O ATOM 0 H ASP A 101 121.312 18.897 9.503 1.00 0.00 H new ATOM 0 HA ASP A 101 119.886 17.362 8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 101 121.160 15.718 10.728 1.00 0.00 H new ATOM 0 HB3 ASP A 101 120.391 15.006 9.323 1.00 0.00 H new ATOM 1380 N THR A 102 118.058 18.038 10.496 1.00 0.00 N ATOM 1381 CA THR A 102 116.727 17.918 11.169 1.00 0.00 C ATOM 1382 C THR A 102 115.686 17.334 10.208 1.00 0.00 C ATOM 1383 O THR A 102 115.299 17.961 9.240 1.00 0.00 O ATOM 1384 CB THR A 102 116.349 19.349 11.572 1.00 0.00 C ATOM 1385 OG1 THR A 102 115.072 19.339 12.196 1.00 0.00 O ATOM 1386 CG2 THR A 102 116.305 20.250 10.335 1.00 0.00 C ATOM 0 H THR A 102 118.371 18.993 10.319 1.00 0.00 H new ATOM 0 HA THR A 102 116.765 17.250 12.030 1.00 0.00 H new ATOM 0 HB THR A 102 117.096 19.735 12.265 1.00 0.00 H new ATOM 0 HG1 THR A 102 114.828 20.252 12.456 1.00 0.00 H new ATOM 0 HG21 THR A 102 116.036 21.263 10.632 1.00 0.00 H new ATOM 0 HG22 THR A 102 117.285 20.260 9.857 1.00 0.00 H new ATOM 0 HG23 THR A 102 115.563 19.869 9.633 1.00 0.00 H new ATOM 1394 N SER A 103 115.233 16.135 10.469 1.00 0.00 N ATOM 1395 CA SER A 103 114.218 15.501 9.576 1.00 0.00 C ATOM 1396 C SER A 103 113.206 14.702 10.404 1.00 0.00 C ATOM 1397 O SER A 103 113.465 14.343 11.537 1.00 0.00 O ATOM 1398 CB SER A 103 115.019 14.571 8.667 1.00 0.00 C ATOM 1399 OG SER A 103 115.547 13.501 9.439 1.00 0.00 O ATOM 0 H SER A 103 115.523 15.566 11.264 1.00 0.00 H new ATOM 0 HA SER A 103 113.650 16.238 9.009 1.00 0.00 H new ATOM 0 HB2 SER A 103 114.382 14.182 7.873 1.00 0.00 H new ATOM 0 HB3 SER A 103 115.828 15.121 8.186 1.00 0.00 H new ATOM 0 HG SER A 103 116.060 12.901 8.859 1.00 0.00 H new ATOM 1404 N ASP A 104 112.061 14.415 9.842 1.00 0.00 N ATOM 1405 CA ASP A 104 111.030 13.630 10.589 1.00 0.00 C ATOM 1406 C ASP A 104 111.179 12.139 10.273 1.00 0.00 C ATOM 1407 O ASP A 104 111.495 11.765 9.160 1.00 0.00 O ATOM 1408 CB ASP A 104 109.684 14.156 10.083 1.00 0.00 C ATOM 1409 CG ASP A 104 109.506 15.620 10.503 1.00 0.00 C ATOM 1410 OD1 ASP A 104 110.187 16.046 11.423 1.00 0.00 O ATOM 1411 OD2 ASP A 104 108.689 16.293 9.895 1.00 0.00 O ATOM 0 H ASP A 104 111.794 14.690 8.897 1.00 0.00 H new ATOM 0 HA ASP A 104 111.126 13.740 11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 104 109.635 14.071 8.997 1.00 0.00 H new ATOM 0 HB3 ASP A 104 108.872 13.551 10.487 1.00 0.00 H new ATOM 1415 N TYR A 105 110.964 11.286 11.242 1.00 0.00 N ATOM 1416 CA TYR A 105 111.106 9.819 10.994 1.00 0.00 C ATOM 1417 C TYR A 105 109.741 9.132 11.102 1.00 0.00 C ATOM 1418 O TYR A 105 108.849 9.607 11.780 1.00 0.00 O ATOM 1419 CB TYR A 105 112.042 9.307 12.096 1.00 0.00 C ATOM 1420 CG TYR A 105 113.318 10.121 12.116 1.00 0.00 C ATOM 1421 CD1 TYR A 105 114.269 9.963 11.102 1.00 0.00 C ATOM 1422 CD2 TYR A 105 113.543 11.035 13.152 1.00 0.00 C ATOM 1423 CE1 TYR A 105 115.447 10.721 11.125 1.00 0.00 C ATOM 1424 CE2 TYR A 105 114.721 11.791 13.175 1.00 0.00 C ATOM 1425 CZ TYR A 105 115.672 11.634 12.161 1.00 0.00 C ATOM 1426 OH TYR A 105 116.834 12.379 12.183 1.00 0.00 O ATOM 0 H TYR A 105 110.697 11.541 12.193 1.00 0.00 H new ATOM 0 HA TYR A 105 111.498 9.611 9.998 1.00 0.00 H new ATOM 0 HB2 TYR A 105 111.545 9.371 13.064 1.00 0.00 H new ATOM 0 HB3 TYR A 105 112.275 8.256 11.926 1.00 0.00 H new ATOM 0 HD1 TYR A 105 114.095 9.258 10.303 1.00 0.00 H new ATOM 0 HD2 TYR A 105 112.808 11.157 13.934 1.00 0.00 H new ATOM 0 HE1 TYR A 105 116.182 10.601 10.343 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.896 12.495 13.975 1.00 0.00 H new ATOM 0 HH TYR A 105 116.832 12.965 12.969 1.00 0.00 H new ATOM 1435 N GLY A 106 109.575 8.010 10.449 1.00 0.00 N ATOM 1436 CA GLY A 106 108.274 7.281 10.522 1.00 0.00 C ATOM 1437 C GLY A 106 108.541 5.776 10.525 1.00 0.00 C ATOM 1438 O GLY A 106 109.551 5.321 10.026 1.00 0.00 O ATOM 0 H GLY A 106 110.286 7.567 9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 106 107.733 7.568 11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 106 107.645 7.549 9.673 1.00 0.00 H new ATOM 1441 N PHE A 107 107.656 4.999 11.094 1.00 0.00 N ATOM 1442 CA PHE A 107 107.874 3.520 11.139 1.00 0.00 C ATOM 1443 C PHE A 107 107.132 2.827 9.991 1.00 0.00 C ATOM 1444 O PHE A 107 106.014 3.174 9.663 1.00 0.00 O ATOM 1445 CB PHE A 107 107.302 3.082 12.487 1.00 0.00 C ATOM 1446 CG PHE A 107 107.572 1.612 12.697 1.00 0.00 C ATOM 1447 CD1 PHE A 107 108.795 1.194 13.237 1.00 0.00 C ATOM 1448 CD2 PHE A 107 106.599 0.665 12.354 1.00 0.00 C ATOM 1449 CE1 PHE A 107 109.044 -0.169 13.433 1.00 0.00 C ATOM 1450 CE2 PHE A 107 106.849 -0.699 12.551 1.00 0.00 C ATOM 1451 CZ PHE A 107 108.071 -1.116 13.090 1.00 0.00 C ATOM 0 H PHE A 107 106.792 5.323 11.529 1.00 0.00 H new ATOM 0 HA PHE A 107 108.927 3.258 11.031 1.00 0.00 H new ATOM 0 HB2 PHE A 107 107.753 3.664 13.291 1.00 0.00 H new ATOM 0 HB3 PHE A 107 106.229 3.273 12.518 1.00 0.00 H new ATOM 0 HD1 PHE A 107 109.546 1.924 13.502 1.00 0.00 H new ATOM 0 HD2 PHE A 107 105.656 0.986 11.938 1.00 0.00 H new ATOM 0 HE1 PHE A 107 109.987 -0.491 13.849 1.00 0.00 H new ATOM 0 HE2 PHE A 107 106.098 -1.429 12.287 1.00 0.00 H new ATOM 0 HZ PHE A 107 108.264 -2.168 13.241 1.00 0.00 H new ATOM 1460 N SER A 108 107.751 1.848 9.382 1.00 0.00 N ATOM 1461 CA SER A 108 107.094 1.125 8.254 1.00 0.00 C ATOM 1462 C SER A 108 107.058 -0.381 8.533 1.00 0.00 C ATOM 1463 O SER A 108 107.821 -0.891 9.332 1.00 0.00 O ATOM 1464 CB SER A 108 107.966 1.424 7.036 1.00 0.00 C ATOM 1465 OG SER A 108 109.245 0.830 7.218 1.00 0.00 O ATOM 0 H SER A 108 108.687 1.518 9.619 1.00 0.00 H new ATOM 0 HA SER A 108 106.061 1.442 8.107 1.00 0.00 H new ATOM 0 HB2 SER A 108 107.496 1.034 6.133 1.00 0.00 H new ATOM 0 HB3 SER A 108 108.068 2.501 6.903 1.00 0.00 H new ATOM 0 HG SER A 108 109.575 0.494 6.358 1.00 0.00 H new ATOM 1470 N TYR A 109 106.188 -1.097 7.867 1.00 0.00 N ATOM 1471 CA TYR A 109 106.110 -2.575 8.073 1.00 0.00 C ATOM 1472 C TYR A 109 105.404 -3.232 6.877 1.00 0.00 C ATOM 1473 O TYR A 109 104.634 -2.594 6.185 1.00 0.00 O ATOM 1474 CB TYR A 109 105.307 -2.757 9.370 1.00 0.00 C ATOM 1475 CG TYR A 109 103.859 -2.370 9.157 1.00 0.00 C ATOM 1476 CD1 TYR A 109 103.467 -1.031 9.275 1.00 0.00 C ATOM 1477 CD2 TYR A 109 102.912 -3.351 8.842 1.00 0.00 C ATOM 1478 CE1 TYR A 109 102.128 -0.673 9.078 1.00 0.00 C ATOM 1479 CE2 TYR A 109 101.572 -2.994 8.646 1.00 0.00 C ATOM 1480 CZ TYR A 109 101.181 -1.655 8.764 1.00 0.00 C ATOM 1481 OH TYR A 109 99.861 -1.303 8.570 1.00 0.00 O ATOM 0 H TYR A 109 105.527 -0.721 7.188 1.00 0.00 H new ATOM 0 HA TYR A 109 107.092 -3.043 8.149 1.00 0.00 H new ATOM 0 HB2 TYR A 109 105.367 -3.794 9.699 1.00 0.00 H new ATOM 0 HB3 TYR A 109 105.740 -2.145 10.162 1.00 0.00 H new ATOM 0 HD1 TYR A 109 104.198 -0.274 9.518 1.00 0.00 H new ATOM 0 HD2 TYR A 109 103.215 -4.384 8.750 1.00 0.00 H new ATOM 0 HE1 TYR A 109 101.826 0.360 9.168 1.00 0.00 H new ATOM 0 HE2 TYR A 109 100.841 -3.751 8.404 1.00 0.00 H new ATOM 0 HH TYR A 109 99.800 -0.648 7.844 1.00 0.00 H new ATOM 1490 N GLY A 110 105.654 -4.494 6.625 1.00 0.00 N ATOM 1491 CA GLY A 110 104.982 -5.163 5.471 1.00 0.00 C ATOM 1492 C GLY A 110 105.690 -6.476 5.126 1.00 0.00 C ATOM 1493 O GLY A 110 106.538 -6.952 5.854 1.00 0.00 O ATOM 0 H GLY A 110 106.288 -5.084 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 110 103.938 -5.359 5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 110 104.989 -4.501 4.605 1.00 0.00 H new ATOM 1496 N ALA A 111 105.337 -7.061 4.012 1.00 0.00 N ATOM 1497 CA ALA A 111 105.969 -8.347 3.582 1.00 0.00 C ATOM 1498 C ALA A 111 105.651 -8.586 2.104 1.00 0.00 C ATOM 1499 O ALA A 111 104.774 -7.947 1.555 1.00 0.00 O ATOM 1500 CB ALA A 111 105.320 -9.420 4.456 1.00 0.00 C ATOM 0 H ALA A 111 104.629 -6.699 3.373 1.00 0.00 H new ATOM 0 HA ALA A 111 107.053 -8.349 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 111 105.732 -10.396 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 111 105.521 -9.205 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 111 104.243 -9.425 4.286 1.00 0.00 H new ATOM 1506 N GLY A 112 106.338 -9.490 1.442 1.00 0.00 N ATOM 1507 CA GLY A 112 106.039 -9.733 0.001 1.00 0.00 C ATOM 1508 C GLY A 112 106.415 -11.177 -0.353 1.00 0.00 C ATOM 1509 O GLY A 112 106.858 -11.932 0.490 1.00 0.00 O ATOM 0 H GLY A 112 107.084 -10.062 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 112 104.981 -9.560 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 112 106.599 -9.035 -0.622 1.00 0.00 H new ATOM 1512 N LEU A 113 106.240 -11.565 -1.591 1.00 0.00 N ATOM 1513 CA LEU A 113 106.586 -12.962 -1.996 1.00 0.00 C ATOM 1514 C LEU A 113 107.259 -12.963 -3.372 1.00 0.00 C ATOM 1515 O LEU A 113 106.944 -12.150 -4.219 1.00 0.00 O ATOM 1516 CB LEU A 113 105.247 -13.698 -2.056 1.00 0.00 C ATOM 1517 CG LEU A 113 105.487 -15.186 -2.320 1.00 0.00 C ATOM 1518 CD1 LEU A 113 105.920 -15.870 -1.022 1.00 0.00 C ATOM 1519 CD2 LEU A 113 104.193 -15.827 -2.825 1.00 0.00 C ATOM 0 H LEU A 113 105.873 -10.976 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 113 107.282 -13.433 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 113 104.707 -13.568 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 113 104.624 -13.275 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 113 106.269 -15.301 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 113 106.091 -16.930 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 113 106.840 -15.412 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 113 105.137 -15.756 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 113 104.362 -16.887 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 113 103.412 -15.712 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 113 103.882 -15.339 -3.749 1.00 0.00 H new ATOM 1530 N GLN A 114 108.172 -13.875 -3.614 1.00 0.00 N ATOM 1531 CA GLN A 114 108.842 -13.926 -4.948 1.00 0.00 C ATOM 1532 C GLN A 114 108.180 -15.009 -5.801 1.00 0.00 C ATOM 1533 O GLN A 114 107.817 -16.056 -5.298 1.00 0.00 O ATOM 1534 CB GLN A 114 110.296 -14.297 -4.648 1.00 0.00 C ATOM 1535 CG GLN A 114 110.938 -13.210 -3.785 1.00 0.00 C ATOM 1536 CD GLN A 114 112.369 -13.617 -3.424 1.00 0.00 C ATOM 1537 OE1 GLN A 114 112.732 -14.772 -3.533 1.00 0.00 O ATOM 1538 NE2 GLN A 114 113.202 -12.709 -2.995 1.00 0.00 N ATOM 0 H GLN A 114 108.479 -14.582 -2.947 1.00 0.00 H new ATOM 0 HA GLN A 114 108.771 -12.985 -5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 114 110.338 -15.256 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 114 110.852 -14.411 -5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 114 110.944 -12.262 -4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 114 110.353 -13.059 -2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 114 112.897 -11.740 -2.904 1.00 0.00 H new ATOM 0 HE22 GLN A 114 114.158 -12.968 -2.751 1.00 0.00 H new ATOM 1545 N PHE A 115 108.014 -14.774 -7.082 1.00 0.00 N ATOM 1546 CA PHE A 115 107.362 -15.803 -7.948 1.00 0.00 C ATOM 1547 C PHE A 115 107.925 -15.754 -9.372 1.00 0.00 C ATOM 1548 O PHE A 115 108.294 -14.708 -9.867 1.00 0.00 O ATOM 1549 CB PHE A 115 105.879 -15.429 -7.949 1.00 0.00 C ATOM 1550 CG PHE A 115 105.096 -16.470 -8.712 1.00 0.00 C ATOM 1551 CD1 PHE A 115 104.661 -17.632 -8.066 1.00 0.00 C ATOM 1552 CD2 PHE A 115 104.803 -16.269 -10.067 1.00 0.00 C ATOM 1553 CE1 PHE A 115 103.933 -18.595 -8.774 1.00 0.00 C ATOM 1554 CE2 PHE A 115 104.075 -17.234 -10.774 1.00 0.00 C ATOM 1555 CZ PHE A 115 103.640 -18.396 -10.128 1.00 0.00 C ATOM 0 H PHE A 115 108.300 -13.920 -7.560 1.00 0.00 H new ATOM 0 HA PHE A 115 107.536 -16.814 -7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 115 105.510 -15.359 -6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 115 105.741 -14.449 -8.405 1.00 0.00 H new ATOM 0 HD1 PHE A 115 104.887 -17.786 -7.021 1.00 0.00 H new ATOM 0 HD2 PHE A 115 105.138 -15.371 -10.566 1.00 0.00 H new ATOM 0 HE1 PHE A 115 103.597 -19.492 -8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 115 103.849 -17.081 -11.819 1.00 0.00 H new ATOM 0 HZ PHE A 115 103.078 -19.139 -10.674 1.00 0.00 H new ATOM 1564 N ASN A 116 107.967 -16.887 -10.037 1.00 0.00 N ATOM 1565 CA ASN A 116 108.482 -16.932 -11.451 1.00 0.00 C ATOM 1566 C ASN A 116 108.651 -18.380 -11.938 1.00 0.00 C ATOM 1567 O ASN A 116 109.212 -19.199 -11.237 1.00 0.00 O ATOM 1568 CB ASN A 116 109.856 -16.241 -11.432 1.00 0.00 C ATOM 1569 CG ASN A 116 109.813 -14.986 -12.306 1.00 0.00 C ATOM 1570 OD1 ASN A 116 108.881 -14.209 -12.227 1.00 0.00 O ATOM 1571 ND2 ASN A 116 110.784 -14.756 -13.147 1.00 0.00 N ATOM 0 H ASN A 116 107.666 -17.787 -9.662 1.00 0.00 H new ATOM 0 HA ASN A 116 107.780 -16.441 -12.125 1.00 0.00 H new ATOM 0 HB2 ASN A 116 110.126 -15.975 -10.410 1.00 0.00 H new ATOM 0 HB3 ASN A 116 110.623 -16.924 -11.797 1.00 0.00 H new ATOM 0 HD21 ASN A 116 110.761 -13.925 -13.738 1.00 0.00 H new ATOM 0 HD22 ASN A 116 111.566 -15.407 -13.214 1.00 0.00 H new ATOM 1577 N PRO A 117 108.196 -18.645 -13.144 1.00 0.00 N ATOM 1578 CA PRO A 117 108.348 -19.993 -13.728 1.00 0.00 C ATOM 1579 C PRO A 117 109.697 -20.087 -14.455 1.00 0.00 C ATOM 1580 O PRO A 117 109.777 -20.549 -15.577 1.00 0.00 O ATOM 1581 CB PRO A 117 107.198 -20.075 -14.725 1.00 0.00 C ATOM 1582 CG PRO A 117 106.884 -18.656 -15.102 1.00 0.00 C ATOM 1583 CD PRO A 117 107.497 -17.741 -14.065 1.00 0.00 C ATOM 0 HA PRO A 117 108.327 -20.796 -12.991 1.00 0.00 H new ATOM 0 HB2 PRO A 117 107.480 -20.659 -15.601 1.00 0.00 H new ATOM 0 HB3 PRO A 117 106.330 -20.563 -14.282 1.00 0.00 H new ATOM 0 HG2 PRO A 117 107.282 -18.429 -16.091 1.00 0.00 H new ATOM 0 HG3 PRO A 117 105.805 -18.506 -15.150 1.00 0.00 H new ATOM 0 HD2 PRO A 117 108.185 -17.029 -14.521 1.00 0.00 H new ATOM 0 HD3 PRO A 117 106.734 -17.160 -13.548 1.00 0.00 H new ATOM 1588 N MET A 118 110.754 -19.645 -13.822 1.00 0.00 N ATOM 1589 CA MET A 118 112.093 -19.693 -14.451 1.00 0.00 C ATOM 1590 C MET A 118 113.129 -20.055 -13.390 1.00 0.00 C ATOM 1591 O MET A 118 113.066 -19.608 -12.260 1.00 0.00 O ATOM 1592 CB MET A 118 112.329 -18.283 -14.985 1.00 0.00 C ATOM 1593 CG MET A 118 111.315 -17.979 -16.090 1.00 0.00 C ATOM 1594 SD MET A 118 111.662 -16.347 -16.795 1.00 0.00 S ATOM 1595 CE MET A 118 110.240 -16.276 -17.913 1.00 0.00 C ATOM 0 H MET A 118 110.738 -19.248 -12.882 1.00 0.00 H new ATOM 0 HA MET A 118 112.167 -20.435 -15.246 1.00 0.00 H new ATOM 0 HB2 MET A 118 112.232 -17.556 -14.178 1.00 0.00 H new ATOM 0 HB3 MET A 118 113.344 -18.195 -15.374 1.00 0.00 H new ATOM 0 HG2 MET A 118 111.368 -18.742 -16.867 1.00 0.00 H new ATOM 0 HG3 MET A 118 110.303 -18.005 -15.687 1.00 0.00 H new ATOM 0 HE1 MET A 118 110.254 -15.334 -18.461 1.00 0.00 H new ATOM 0 HE2 MET A 118 110.289 -17.106 -18.618 1.00 0.00 H new ATOM 0 HE3 MET A 118 109.319 -16.345 -17.335 1.00 0.00 H new ATOM 1603 N GLU A 119 114.058 -20.879 -13.746 1.00 0.00 N ATOM 1604 CA GLU A 119 115.101 -21.321 -12.773 1.00 0.00 C ATOM 1605 C GLU A 119 116.000 -20.164 -12.309 1.00 0.00 C ATOM 1606 O GLU A 119 116.273 -20.034 -11.130 1.00 0.00 O ATOM 1607 CB GLU A 119 115.932 -22.357 -13.534 1.00 0.00 C ATOM 1608 CG GLU A 119 116.957 -22.989 -12.587 1.00 0.00 C ATOM 1609 CD GLU A 119 117.869 -23.948 -13.362 1.00 0.00 C ATOM 1610 OE1 GLU A 119 117.724 -24.038 -14.572 1.00 0.00 O ATOM 1611 OE2 GLU A 119 118.701 -24.578 -12.730 1.00 0.00 O ATOM 0 H GLU A 119 114.149 -21.276 -14.681 1.00 0.00 H new ATOM 0 HA GLU A 119 114.642 -21.719 -11.868 1.00 0.00 H new ATOM 0 HB2 GLU A 119 115.281 -23.127 -13.948 1.00 0.00 H new ATOM 0 HB3 GLU A 119 116.441 -21.884 -14.374 1.00 0.00 H new ATOM 0 HG2 GLU A 119 117.554 -22.210 -12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 119 116.444 -23.527 -11.790 1.00 0.00 H new ATOM 1616 N ASN A 120 116.496 -19.347 -13.208 1.00 0.00 N ATOM 1617 CA ASN A 120 117.412 -18.240 -12.778 1.00 0.00 C ATOM 1618 C ASN A 120 116.723 -16.867 -12.777 1.00 0.00 C ATOM 1619 O ASN A 120 117.363 -15.859 -12.546 1.00 0.00 O ATOM 1620 CB ASN A 120 118.545 -18.254 -13.805 1.00 0.00 C ATOM 1621 CG ASN A 120 119.262 -19.605 -13.761 1.00 0.00 C ATOM 1622 OD1 ASN A 120 119.345 -20.228 -12.722 1.00 0.00 O ATOM 1623 ND2 ASN A 120 119.786 -20.087 -14.855 1.00 0.00 N ATOM 0 H ASN A 120 116.310 -19.396 -14.210 1.00 0.00 H new ATOM 0 HA ASN A 120 117.752 -18.397 -11.754 1.00 0.00 H new ATOM 0 HB2 ASN A 120 118.146 -18.075 -14.804 1.00 0.00 H new ATOM 0 HB3 ASN A 120 119.250 -17.450 -13.594 1.00 0.00 H new ATOM 0 HD21 ASN A 120 120.265 -20.987 -14.837 1.00 0.00 H new ATOM 0 HD22 ASN A 120 119.716 -19.563 -15.728 1.00 0.00 H new ATOM 1629 N VAL A 121 115.441 -16.803 -13.026 1.00 0.00 N ATOM 1630 CA VAL A 121 114.754 -15.472 -13.027 1.00 0.00 C ATOM 1631 C VAL A 121 113.669 -15.444 -11.948 1.00 0.00 C ATOM 1632 O VAL A 121 112.928 -16.394 -11.781 1.00 0.00 O ATOM 1633 CB VAL A 121 114.141 -15.326 -14.424 1.00 0.00 C ATOM 1634 CG1 VAL A 121 113.446 -13.967 -14.542 1.00 0.00 C ATOM 1635 CG2 VAL A 121 115.243 -15.421 -15.484 1.00 0.00 C ATOM 0 H VAL A 121 114.843 -17.604 -13.227 1.00 0.00 H new ATOM 0 HA VAL A 121 115.441 -14.654 -12.810 1.00 0.00 H new ATOM 0 HB VAL A 121 113.415 -16.124 -14.580 1.00 0.00 H new ATOM 0 HG11 VAL A 121 113.011 -13.866 -15.536 1.00 0.00 H new ATOM 0 HG12 VAL A 121 112.658 -13.895 -13.792 1.00 0.00 H new ATOM 0 HG13 VAL A 121 114.173 -13.171 -14.382 1.00 0.00 H new ATOM 0 HG21 VAL A 121 114.804 -15.317 -16.476 1.00 0.00 H new ATOM 0 HG22 VAL A 121 115.971 -14.626 -15.324 1.00 0.00 H new ATOM 0 HG23 VAL A 121 115.740 -16.388 -15.407 1.00 0.00 H new ATOM 1645 N ALA A 122 113.577 -14.367 -11.206 1.00 0.00 N ATOM 1646 CA ALA A 122 112.542 -14.303 -10.132 1.00 0.00 C ATOM 1647 C ALA A 122 111.933 -12.902 -9.993 1.00 0.00 C ATOM 1648 O ALA A 122 112.615 -11.899 -10.046 1.00 0.00 O ATOM 1649 CB ALA A 122 113.287 -14.682 -8.853 1.00 0.00 C ATOM 0 H ALA A 122 114.167 -13.540 -11.297 1.00 0.00 H new ATOM 0 HA ALA A 122 111.706 -14.967 -10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 122 112.597 -14.660 -8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 122 113.701 -15.685 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 122 114.095 -13.972 -8.679 1.00 0.00 H new ATOM 1655 N LEU A 123 110.644 -12.849 -9.788 1.00 0.00 N ATOM 1656 CA LEU A 123 109.947 -11.542 -9.605 1.00 0.00 C ATOM 1657 C LEU A 123 109.522 -11.439 -8.143 1.00 0.00 C ATOM 1658 O LEU A 123 109.320 -12.447 -7.496 1.00 0.00 O ATOM 1659 CB LEU A 123 108.723 -11.599 -10.527 1.00 0.00 C ATOM 1660 CG LEU A 123 109.037 -10.929 -11.874 1.00 0.00 C ATOM 1661 CD1 LEU A 123 109.345 -9.443 -11.655 1.00 0.00 C ATOM 1662 CD2 LEU A 123 110.242 -11.612 -12.535 1.00 0.00 C ATOM 0 H LEU A 123 110.036 -13.667 -9.739 1.00 0.00 H new ATOM 0 HA LEU A 123 110.569 -10.679 -9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 123 108.429 -12.636 -10.689 1.00 0.00 H new ATOM 0 HB3 LEU A 123 107.879 -11.099 -10.053 1.00 0.00 H new ATOM 0 HG LEU A 123 108.170 -11.027 -12.527 1.00 0.00 H new ATOM 0 HD11 LEU A 123 109.567 -8.972 -12.613 1.00 0.00 H new ATOM 0 HD12 LEU A 123 108.482 -8.955 -11.203 1.00 0.00 H new ATOM 0 HD13 LEU A 123 110.206 -9.343 -10.994 1.00 0.00 H new ATOM 0 HD21 LEU A 123 110.456 -11.129 -13.489 1.00 0.00 H new ATOM 0 HD22 LEU A 123 111.111 -11.527 -11.883 1.00 0.00 H new ATOM 0 HD23 LEU A 123 110.016 -12.665 -12.704 1.00 0.00 H new ATOM 1673 N ASP A 124 109.382 -10.257 -7.601 1.00 0.00 N ATOM 1674 CA ASP A 124 108.968 -10.155 -6.170 1.00 0.00 C ATOM 1675 C ASP A 124 108.087 -8.925 -5.950 1.00 0.00 C ATOM 1676 O ASP A 124 108.343 -7.867 -6.489 1.00 0.00 O ATOM 1677 CB ASP A 124 110.276 -10.012 -5.389 1.00 0.00 C ATOM 1678 CG ASP A 124 109.991 -10.042 -3.882 1.00 0.00 C ATOM 1679 OD1 ASP A 124 108.891 -10.418 -3.507 1.00 0.00 O ATOM 1680 OD2 ASP A 124 110.883 -9.690 -3.126 1.00 0.00 O ATOM 0 H ASP A 124 109.534 -9.369 -8.080 1.00 0.00 H new ATOM 0 HA ASP A 124 108.388 -11.021 -5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 124 110.958 -10.819 -5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 124 110.769 -9.077 -5.656 1.00 0.00 H new ATOM 1684 N PHE A 125 107.065 -9.050 -5.144 1.00 0.00 N ATOM 1685 CA PHE A 125 106.185 -7.881 -4.869 1.00 0.00 C ATOM 1686 C PHE A 125 105.963 -7.756 -3.360 1.00 0.00 C ATOM 1687 O PHE A 125 105.852 -8.747 -2.664 1.00 0.00 O ATOM 1688 CB PHE A 125 104.872 -8.179 -5.603 1.00 0.00 C ATOM 1689 CG PHE A 125 104.244 -9.439 -5.053 1.00 0.00 C ATOM 1690 CD1 PHE A 125 104.638 -10.690 -5.543 1.00 0.00 C ATOM 1691 CD2 PHE A 125 103.264 -9.355 -4.057 1.00 0.00 C ATOM 1692 CE1 PHE A 125 104.053 -11.856 -5.036 1.00 0.00 C ATOM 1693 CE2 PHE A 125 102.680 -10.521 -3.549 1.00 0.00 C ATOM 1694 CZ PHE A 125 103.074 -11.772 -4.038 1.00 0.00 C ATOM 0 H PHE A 125 106.804 -9.912 -4.665 1.00 0.00 H new ATOM 0 HA PHE A 125 106.616 -6.939 -5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 125 104.184 -7.341 -5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 125 105.061 -8.294 -6.670 1.00 0.00 H new ATOM 0 HD1 PHE A 125 105.393 -10.755 -6.312 1.00 0.00 H new ATOM 0 HD2 PHE A 125 102.958 -8.390 -3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 125 104.357 -12.821 -5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 125 101.925 -10.456 -2.779 1.00 0.00 H new ATOM 0 HZ PHE A 125 102.623 -12.672 -3.646 1.00 0.00 H new ATOM 1703 N SER A 126 105.908 -6.556 -2.848 1.00 0.00 N ATOM 1704 CA SER A 126 105.707 -6.389 -1.377 1.00 0.00 C ATOM 1705 C SER A 126 104.887 -5.136 -1.069 1.00 0.00 C ATOM 1706 O SER A 126 104.946 -4.149 -1.778 1.00 0.00 O ATOM 1707 CB SER A 126 107.115 -6.258 -0.803 1.00 0.00 C ATOM 1708 OG SER A 126 107.041 -6.213 0.616 1.00 0.00 O ATOM 0 H SER A 126 105.993 -5.689 -3.379 1.00 0.00 H new ATOM 0 HA SER A 126 105.157 -7.227 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 126 107.729 -7.101 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 126 107.592 -5.355 -1.183 1.00 0.00 H new ATOM 0 HG SER A 126 107.944 -6.131 0.988 1.00 0.00 H new ATOM 1713 N TYR A 127 104.135 -5.170 0.000 1.00 0.00 N ATOM 1714 CA TYR A 127 103.318 -3.987 0.389 1.00 0.00 C ATOM 1715 C TYR A 127 103.775 -3.481 1.760 1.00 0.00 C ATOM 1716 O TYR A 127 103.842 -4.233 2.715 1.00 0.00 O ATOM 1717 CB TYR A 127 101.880 -4.503 0.457 1.00 0.00 C ATOM 1718 CG TYR A 127 100.949 -3.361 0.789 1.00 0.00 C ATOM 1719 CD1 TYR A 127 100.473 -2.526 -0.230 1.00 0.00 C ATOM 1720 CD2 TYR A 127 100.559 -3.139 2.115 1.00 0.00 C ATOM 1721 CE1 TYR A 127 99.609 -1.469 0.078 1.00 0.00 C ATOM 1722 CE2 TYR A 127 99.695 -2.082 2.423 1.00 0.00 C ATOM 1723 CZ TYR A 127 99.220 -1.246 1.405 1.00 0.00 C ATOM 1724 OH TYR A 127 98.368 -0.204 1.709 1.00 0.00 O ATOM 0 H TYR A 127 104.053 -5.973 0.623 1.00 0.00 H new ATOM 0 HA TYR A 127 103.414 -3.159 -0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 127 101.598 -4.951 -0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 127 101.798 -5.284 1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 127 100.773 -2.698 -1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 127 100.925 -3.784 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 127 99.242 -0.825 -0.708 1.00 0.00 H new ATOM 0 HE2 TYR A 127 99.394 -1.911 3.446 1.00 0.00 H new ATOM 0 HH TYR A 127 98.198 -0.191 2.674 1.00 0.00 H new ATOM 1733 N GLU A 128 104.098 -2.218 1.862 1.00 0.00 N ATOM 1734 CA GLU A 128 104.560 -1.667 3.171 1.00 0.00 C ATOM 1735 C GLU A 128 103.921 -0.301 3.436 1.00 0.00 C ATOM 1736 O GLU A 128 103.850 0.543 2.563 1.00 0.00 O ATOM 1737 CB GLU A 128 106.075 -1.533 3.024 1.00 0.00 C ATOM 1738 CG GLU A 128 106.684 -1.104 4.363 1.00 0.00 C ATOM 1739 CD GLU A 128 108.193 -0.877 4.206 1.00 0.00 C ATOM 1740 OE1 GLU A 128 108.693 -1.030 3.102 1.00 0.00 O ATOM 1741 OE2 GLU A 128 108.826 -0.555 5.197 1.00 0.00 O ATOM 0 H GLU A 128 104.062 -1.545 1.097 1.00 0.00 H new ATOM 0 HA GLU A 128 104.283 -2.307 4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 128 106.505 -2.482 2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 128 106.313 -0.800 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 128 106.205 -0.190 4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 128 106.500 -1.869 5.117 1.00 0.00 H new ATOM 1746 N GLN A 129 103.466 -0.075 4.642 1.00 0.00 N ATOM 1747 CA GLN A 129 102.842 1.239 4.978 1.00 0.00 C ATOM 1748 C GLN A 129 103.733 1.998 5.965 1.00 0.00 C ATOM 1749 O GLN A 129 104.153 1.460 6.971 1.00 0.00 O ATOM 1750 CB GLN A 129 101.501 0.888 5.623 1.00 0.00 C ATOM 1751 CG GLN A 129 100.703 2.170 5.872 1.00 0.00 C ATOM 1752 CD GLN A 129 99.340 1.825 6.479 1.00 0.00 C ATOM 1753 OE1 GLN A 129 98.965 0.670 6.551 1.00 0.00 O ATOM 1754 NE2 GLN A 129 98.577 2.785 6.922 1.00 0.00 N ATOM 0 H GLN A 129 103.500 -0.746 5.410 1.00 0.00 H new ATOM 0 HA GLN A 129 102.714 1.877 4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 129 100.938 0.217 4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 129 101.664 0.360 6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 129 101.254 2.827 6.544 1.00 0.00 H new ATOM 0 HG3 GLN A 129 100.568 2.712 4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 129 98.890 3.754 6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 129 97.667 2.567 7.328 1.00 0.00 H new ATOM 1761 N SER A 130 104.029 3.242 5.685 1.00 0.00 N ATOM 1762 CA SER A 130 104.898 4.027 6.611 1.00 0.00 C ATOM 1763 C SER A 130 104.169 5.284 7.091 1.00 0.00 C ATOM 1764 O SER A 130 103.377 5.864 6.374 1.00 0.00 O ATOM 1765 CB SER A 130 106.120 4.407 5.776 1.00 0.00 C ATOM 1766 OG SER A 130 106.734 3.224 5.279 1.00 0.00 O ATOM 0 H SER A 130 103.708 3.746 4.858 1.00 0.00 H new ATOM 0 HA SER A 130 105.168 3.459 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 130 105.824 5.052 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 130 106.828 4.971 6.382 1.00 0.00 H new ATOM 0 HG SER A 130 107.518 3.463 4.741 1.00 0.00 H new ATOM 1771 N ARG A 131 104.437 5.710 8.298 1.00 0.00 N ATOM 1772 CA ARG A 131 103.768 6.935 8.826 1.00 0.00 C ATOM 1773 C ARG A 131 104.789 7.832 9.538 1.00 0.00 C ATOM 1774 O ARG A 131 105.549 7.376 10.371 1.00 0.00 O ATOM 1775 CB ARG A 131 102.713 6.416 9.809 1.00 0.00 C ATOM 1776 CG ARG A 131 103.393 5.669 10.961 1.00 0.00 C ATOM 1777 CD ARG A 131 102.333 4.964 11.810 1.00 0.00 C ATOM 1778 NE ARG A 131 103.084 4.382 12.957 1.00 0.00 N ATOM 1779 CZ ARG A 131 103.541 5.158 13.901 1.00 0.00 C ATOM 1780 NH1 ARG A 131 102.725 5.661 14.787 1.00 0.00 N ATOM 1781 NH2 ARG A 131 104.816 5.434 13.959 1.00 0.00 N ATOM 0 H ARG A 131 105.090 5.262 8.941 1.00 0.00 H new ATOM 0 HA ARG A 131 103.321 7.539 8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 131 102.127 7.248 10.200 1.00 0.00 H new ATOM 0 HB3 ARG A 131 102.019 5.752 9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 131 104.102 4.941 10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 131 103.961 6.367 11.576 1.00 0.00 H new ATOM 0 HD2 ARG A 131 101.571 5.664 12.152 1.00 0.00 H new ATOM 0 HD3 ARG A 131 101.821 4.189 11.239 1.00 0.00 H new ATOM 0 HE ARG A 131 103.241 3.375 13.005 1.00 0.00 H new ATOM 0 HH11 ARG A 131 101.729 5.448 14.742 1.00 0.00 H new ATOM 0 HH12 ARG A 131 103.084 6.268 15.524 1.00 0.00 H new ATOM 0 HH21 ARG A 131 105.454 5.043 13.266 1.00 0.00 H new ATOM 0 HH22 ARG A 131 105.173 6.041 14.697 1.00 0.00 H new ATOM 1792 N ILE A 132 104.809 9.101 9.213 1.00 0.00 N ATOM 1793 CA ILE A 132 105.777 10.027 9.863 1.00 0.00 C ATOM 1794 C ILE A 132 105.018 11.125 10.611 1.00 0.00 C ATOM 1795 O ILE A 132 105.067 12.281 10.246 1.00 0.00 O ATOM 1796 CB ILE A 132 106.592 10.626 8.711 1.00 0.00 C ATOM 1797 CG1 ILE A 132 107.316 9.509 7.955 1.00 0.00 C ATOM 1798 CG2 ILE A 132 107.624 11.608 9.268 1.00 0.00 C ATOM 1799 CD1 ILE A 132 107.943 10.079 6.681 1.00 0.00 C ATOM 0 H ILE A 132 104.194 9.533 8.524 1.00 0.00 H new ATOM 0 HA ILE A 132 106.415 9.522 10.589 1.00 0.00 H new ATOM 0 HB ILE A 132 105.919 11.149 8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 132 108.087 9.068 8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 132 106.616 8.712 7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 132 108.202 12.033 8.447 1.00 0.00 H new ATOM 0 HG22 ILE A 132 107.113 12.408 9.804 1.00 0.00 H new ATOM 0 HG23 ILE A 132 108.293 11.084 9.950 1.00 0.00 H new ATOM 0 HD11 ILE A 132 108.459 9.284 6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 132 107.162 10.499 6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 132 108.656 10.860 6.944 1.00 0.00 H new ATOM 1810 N ARG A 133 104.318 10.763 11.659 1.00 0.00 N ATOM 1811 CA ARG A 133 103.539 11.759 12.467 1.00 0.00 C ATOM 1812 C ARG A 133 102.379 12.353 11.656 1.00 0.00 C ATOM 1813 O ARG A 133 101.229 12.220 12.030 1.00 0.00 O ATOM 1814 CB ARG A 133 104.533 12.857 12.873 1.00 0.00 C ATOM 1815 CG ARG A 133 103.905 13.739 13.954 1.00 0.00 C ATOM 1816 CD ARG A 133 104.854 14.892 14.289 1.00 0.00 C ATOM 1817 NE ARG A 133 106.087 14.239 14.811 1.00 0.00 N ATOM 1818 CZ ARG A 133 107.249 14.534 14.298 1.00 0.00 C ATOM 1819 NH1 ARG A 133 107.833 15.660 14.605 1.00 0.00 N ATOM 1820 NH2 ARG A 133 107.829 13.702 13.476 1.00 0.00 N ATOM 0 H ARG A 133 104.252 9.802 11.996 1.00 0.00 H new ATOM 0 HA ARG A 133 103.092 11.282 13.340 1.00 0.00 H new ATOM 0 HB2 ARG A 133 105.455 12.409 13.244 1.00 0.00 H new ATOM 0 HB3 ARG A 133 104.799 13.461 12.005 1.00 0.00 H new ATOM 0 HG2 ARG A 133 102.948 14.130 13.608 1.00 0.00 H new ATOM 0 HG3 ARG A 133 103.703 13.149 14.848 1.00 0.00 H new ATOM 0 HD2 ARG A 133 105.070 15.494 13.406 1.00 0.00 H new ATOM 0 HD3 ARG A 133 104.417 15.560 15.031 1.00 0.00 H new ATOM 0 HE ARG A 133 106.022 13.561 15.570 1.00 0.00 H new ATOM 0 HH11 ARG A 133 107.381 16.311 15.247 1.00 0.00 H new ATOM 0 HH12 ARG A 133 108.742 15.889 14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 133 107.373 12.822 13.235 1.00 0.00 H new ATOM 0 HH22 ARG A 133 108.738 13.932 13.074 1.00 0.00 H new ATOM 1831 N SER A 134 102.661 13.012 10.562 1.00 0.00 N ATOM 1832 CA SER A 134 101.558 13.617 9.754 1.00 0.00 C ATOM 1833 C SER A 134 101.594 13.138 8.297 1.00 0.00 C ATOM 1834 O SER A 134 100.838 13.613 7.470 1.00 0.00 O ATOM 1835 CB SER A 134 101.807 15.122 9.821 1.00 0.00 C ATOM 1836 OG SER A 134 102.890 15.459 8.963 1.00 0.00 O ATOM 0 H SER A 134 103.601 13.157 10.194 1.00 0.00 H new ATOM 0 HA SER A 134 100.580 13.332 10.141 1.00 0.00 H new ATOM 0 HB2 SER A 134 100.910 15.664 9.523 1.00 0.00 H new ATOM 0 HB3 SER A 134 102.033 15.419 10.845 1.00 0.00 H new ATOM 0 HG SER A 134 103.051 16.425 9.003 1.00 0.00 H new ATOM 1841 N VAL A 135 102.460 12.214 7.965 1.00 0.00 N ATOM 1842 CA VAL A 135 102.521 11.736 6.549 1.00 0.00 C ATOM 1843 C VAL A 135 102.395 10.213 6.484 1.00 0.00 C ATOM 1844 O VAL A 135 103.053 9.499 7.210 1.00 0.00 O ATOM 1845 CB VAL A 135 103.891 12.183 6.031 1.00 0.00 C ATOM 1846 CG1 VAL A 135 104.036 11.792 4.559 1.00 0.00 C ATOM 1847 CG2 VAL A 135 104.019 13.703 6.163 1.00 0.00 C ATOM 0 H VAL A 135 103.121 11.774 8.605 1.00 0.00 H new ATOM 0 HA VAL A 135 101.705 12.142 5.951 1.00 0.00 H new ATOM 0 HB VAL A 135 104.672 11.698 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 135 105.012 12.111 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 135 103.947 10.710 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 135 103.253 12.276 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 135 104.995 14.019 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 135 103.236 14.186 5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 135 103.918 13.987 7.210 1.00 0.00 H new ATOM 1857 N ASP A 136 101.567 9.712 5.605 1.00 0.00 N ATOM 1858 CA ASP A 136 101.412 8.235 5.478 1.00 0.00 C ATOM 1859 C ASP A 136 101.493 7.862 4.002 1.00 0.00 C ATOM 1860 O ASP A 136 100.667 8.274 3.213 1.00 0.00 O ATOM 1861 CB ASP A 136 100.024 7.926 6.040 1.00 0.00 C ATOM 1862 CG ASP A 136 99.814 6.411 6.082 1.00 0.00 C ATOM 1863 OD1 ASP A 136 100.232 5.801 7.052 1.00 0.00 O ATOM 1864 OD2 ASP A 136 99.238 5.886 5.143 1.00 0.00 O ATOM 0 H ASP A 136 100.991 10.264 4.969 1.00 0.00 H new ATOM 0 HA ASP A 136 102.183 7.676 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 136 99.924 8.345 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 136 99.258 8.393 5.421 1.00 0.00 H new ATOM 1868 N VAL A 137 102.489 7.111 3.608 1.00 0.00 N ATOM 1869 CA VAL A 137 102.629 6.748 2.166 1.00 0.00 C ATOM 1870 C VAL A 137 102.356 5.257 1.943 1.00 0.00 C ATOM 1871 O VAL A 137 102.686 4.423 2.763 1.00 0.00 O ATOM 1872 CB VAL A 137 104.090 7.060 1.812 1.00 0.00 C ATOM 1873 CG1 VAL A 137 104.301 6.863 0.309 1.00 0.00 C ATOM 1874 CG2 VAL A 137 104.442 8.508 2.190 1.00 0.00 C ATOM 0 H VAL A 137 103.211 6.734 4.222 1.00 0.00 H new ATOM 0 HA VAL A 137 101.918 7.299 1.550 1.00 0.00 H new ATOM 0 HB VAL A 137 104.737 6.385 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 137 105.338 7.084 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 137 104.074 5.831 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 137 103.642 7.534 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 137 105.482 8.709 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 137 103.793 9.194 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 137 104.301 8.649 3.262 1.00 0.00 H new ATOM 1884 N GLY A 138 101.774 4.925 0.822 1.00 0.00 N ATOM 1885 CA GLY A 138 101.490 3.498 0.502 1.00 0.00 C ATOM 1886 C GLY A 138 102.045 3.216 -0.892 1.00 0.00 C ATOM 1887 O GLY A 138 101.636 3.827 -1.862 1.00 0.00 O ATOM 0 H GLY A 138 101.480 5.590 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.953 2.841 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 138 100.418 3.305 0.533 1.00 0.00 H new ATOM 1890 N THR A 139 102.992 2.322 -1.005 1.00 0.00 N ATOM 1891 CA THR A 139 103.586 2.044 -2.345 1.00 0.00 C ATOM 1892 C THR A 139 103.714 0.543 -2.616 1.00 0.00 C ATOM 1893 O THR A 139 103.886 -0.258 -1.717 1.00 0.00 O ATOM 1894 CB THR A 139 104.972 2.695 -2.290 1.00 0.00 C ATOM 1895 OG1 THR A 139 105.625 2.523 -3.540 1.00 0.00 O ATOM 1896 CG2 THR A 139 105.809 2.054 -1.180 1.00 0.00 C ATOM 0 H THR A 139 103.377 1.776 -0.234 1.00 0.00 H new ATOM 0 HA THR A 139 102.961 2.436 -3.147 1.00 0.00 H new ATOM 0 HB THR A 139 104.860 3.759 -2.080 1.00 0.00 H new ATOM 0 HG1 THR A 139 105.448 3.299 -4.111 1.00 0.00 H new ATOM 0 HG21 THR A 139 106.792 2.523 -1.149 1.00 0.00 H new ATOM 0 HG22 THR A 139 105.310 2.193 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 139 105.922 0.988 -1.379 1.00 0.00 H new ATOM 1904 N TRP A 140 103.668 0.175 -3.868 1.00 0.00 N ATOM 1905 CA TRP A 140 103.822 -1.256 -4.250 1.00 0.00 C ATOM 1906 C TRP A 140 105.148 -1.406 -4.996 1.00 0.00 C ATOM 1907 O TRP A 140 105.469 -0.609 -5.857 1.00 0.00 O ATOM 1908 CB TRP A 140 102.642 -1.554 -5.176 1.00 0.00 C ATOM 1909 CG TRP A 140 102.653 -3.001 -5.552 1.00 0.00 C ATOM 1910 CD1 TRP A 140 103.262 -3.513 -6.646 1.00 0.00 C ATOM 1911 CD2 TRP A 140 102.036 -4.126 -4.864 1.00 0.00 C ATOM 1912 NE1 TRP A 140 103.062 -4.882 -6.670 1.00 0.00 N ATOM 1913 CE2 TRP A 140 102.310 -5.307 -5.592 1.00 0.00 C ATOM 1914 CE3 TRP A 140 101.272 -4.236 -3.687 1.00 0.00 C ATOM 1915 CZ2 TRP A 140 101.844 -6.553 -5.171 1.00 0.00 C ATOM 1916 CZ3 TRP A 140 100.801 -5.487 -3.259 1.00 0.00 C ATOM 1917 CH2 TRP A 140 101.087 -6.644 -4.000 1.00 0.00 C ATOM 0 H TRP A 140 103.529 0.814 -4.651 1.00 0.00 H new ATOM 0 HA TRP A 140 103.830 -1.936 -3.398 1.00 0.00 H new ATOM 0 HB2 TRP A 140 101.705 -1.304 -4.679 1.00 0.00 H new ATOM 0 HB3 TRP A 140 102.703 -0.935 -6.071 1.00 0.00 H new ATOM 0 HD1 TRP A 140 103.814 -2.946 -7.381 1.00 0.00 H new ATOM 0 HE1 TRP A 140 103.425 -5.501 -7.395 1.00 0.00 H new ATOM 0 HE3 TRP A 140 101.047 -3.352 -3.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 102.067 -7.440 -5.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 100.215 -5.560 -2.355 1.00 0.00 H new ATOM 0 HH2 TRP A 140 100.722 -7.604 -3.665 1.00 0.00 H new ATOM 1927 N ILE A 141 105.933 -2.398 -4.669 1.00 0.00 N ATOM 1928 CA ILE A 141 107.245 -2.550 -5.364 1.00 0.00 C ATOM 1929 C ILE A 141 107.299 -3.848 -6.173 1.00 0.00 C ATOM 1930 O ILE A 141 106.731 -4.854 -5.796 1.00 0.00 O ATOM 1931 CB ILE A 141 108.294 -2.564 -4.243 1.00 0.00 C ATOM 1932 CG1 ILE A 141 108.072 -3.781 -3.335 1.00 0.00 C ATOM 1933 CG2 ILE A 141 108.185 -1.279 -3.412 1.00 0.00 C ATOM 1934 CD1 ILE A 141 109.225 -3.889 -2.336 1.00 0.00 C ATOM 0 H ILE A 141 105.727 -3.102 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 141 107.416 -1.743 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 141 109.287 -2.623 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 141 107.125 -3.684 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 141 108.010 -4.689 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 141 108.932 -1.295 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 141 108.356 -0.415 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 141 107.190 -1.213 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 141 109.068 -4.753 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 141 110.165 -4.006 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 141 109.266 -2.985 -1.728 1.00 0.00 H new ATOM 1945 N ALA A 142 108.000 -3.825 -7.276 1.00 0.00 N ATOM 1946 CA ALA A 142 108.130 -5.046 -8.123 1.00 0.00 C ATOM 1947 C ALA A 142 109.505 -5.033 -8.786 1.00 0.00 C ATOM 1948 O ALA A 142 109.957 -4.003 -9.249 1.00 0.00 O ATOM 1949 CB ALA A 142 107.021 -4.931 -9.170 1.00 0.00 C ATOM 0 H ALA A 142 108.492 -3.004 -7.629 1.00 0.00 H new ATOM 0 HA ALA A 142 108.039 -5.973 -7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 142 107.054 -5.797 -9.831 1.00 0.00 H new ATOM 0 HB2 ALA A 142 106.053 -4.892 -8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 142 107.165 -4.022 -9.754 1.00 0.00 H new ATOM 1955 N GLY A 143 110.187 -6.149 -8.825 1.00 0.00 N ATOM 1956 CA GLY A 143 111.541 -6.146 -9.445 1.00 0.00 C ATOM 1957 C GLY A 143 112.009 -7.562 -9.782 1.00 0.00 C ATOM 1958 O GLY A 143 111.226 -8.481 -9.920 1.00 0.00 O ATOM 0 H GLY A 143 109.870 -7.047 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 143 111.525 -5.542 -10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 143 112.253 -5.679 -8.764 1.00 0.00 H new ATOM 1961 N VAL A 144 113.300 -7.722 -9.924 1.00 0.00 N ATOM 1962 CA VAL A 144 113.876 -9.056 -10.271 1.00 0.00 C ATOM 1963 C VAL A 144 114.527 -9.700 -9.042 1.00 0.00 C ATOM 1964 O VAL A 144 114.744 -9.056 -8.035 1.00 0.00 O ATOM 1965 CB VAL A 144 114.918 -8.762 -11.359 1.00 0.00 C ATOM 1966 CG1 VAL A 144 115.996 -7.821 -10.815 1.00 0.00 C ATOM 1967 CG2 VAL A 144 115.571 -10.072 -11.809 1.00 0.00 C ATOM 0 H VAL A 144 113.987 -6.976 -9.813 1.00 0.00 H new ATOM 0 HA VAL A 144 113.117 -9.758 -10.615 1.00 0.00 H new ATOM 0 HB VAL A 144 114.422 -8.287 -12.205 1.00 0.00 H new ATOM 0 HG11 VAL A 144 116.730 -7.619 -11.595 1.00 0.00 H new ATOM 0 HG12 VAL A 144 115.536 -6.885 -10.499 1.00 0.00 H new ATOM 0 HG13 VAL A 144 116.491 -8.288 -9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 144 116.311 -9.863 -12.582 1.00 0.00 H new ATOM 0 HG22 VAL A 144 116.059 -10.546 -10.958 1.00 0.00 H new ATOM 0 HG23 VAL A 144 114.808 -10.740 -12.208 1.00 0.00 H new ATOM 1977 N GLY A 145 114.837 -10.968 -9.131 1.00 0.00 N ATOM 1978 CA GLY A 145 115.473 -11.670 -7.978 1.00 0.00 C ATOM 1979 C GLY A 145 116.295 -12.864 -8.471 1.00 0.00 C ATOM 1980 O GLY A 145 115.885 -13.594 -9.355 1.00 0.00 O ATOM 0 H GLY A 145 114.676 -11.548 -9.955 1.00 0.00 H new ATOM 0 HA2 GLY A 145 116.115 -10.979 -7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 145 114.706 -12.010 -7.282 1.00 0.00 H new ATOM 1983 N TYR A 146 117.455 -13.066 -7.899 1.00 0.00 N ATOM 1984 CA TYR A 146 118.319 -14.212 -8.315 1.00 0.00 C ATOM 1985 C TYR A 146 118.815 -14.964 -7.075 1.00 0.00 C ATOM 1986 O TYR A 146 118.914 -14.403 -6.002 1.00 0.00 O ATOM 1987 CB TYR A 146 119.491 -13.576 -9.063 1.00 0.00 C ATOM 1988 CG TYR A 146 120.368 -14.664 -9.638 1.00 0.00 C ATOM 1989 CD1 TYR A 146 120.056 -15.231 -10.879 1.00 0.00 C ATOM 1990 CD2 TYR A 146 121.491 -15.104 -8.928 1.00 0.00 C ATOM 1991 CE1 TYR A 146 120.870 -16.240 -11.411 1.00 0.00 C ATOM 1992 CE2 TYR A 146 122.303 -16.113 -9.459 1.00 0.00 C ATOM 1993 CZ TYR A 146 121.993 -16.681 -10.700 1.00 0.00 C ATOM 1994 OH TYR A 146 122.793 -17.676 -11.225 1.00 0.00 O ATOM 0 H TYR A 146 117.843 -12.483 -7.157 1.00 0.00 H new ATOM 0 HA TYR A 146 117.787 -14.932 -8.937 1.00 0.00 H new ATOM 0 HB2 TYR A 146 119.121 -12.932 -9.861 1.00 0.00 H new ATOM 0 HB3 TYR A 146 120.070 -12.946 -8.387 1.00 0.00 H new ATOM 0 HD1 TYR A 146 119.189 -14.891 -11.426 1.00 0.00 H new ATOM 0 HD2 TYR A 146 121.731 -14.665 -7.971 1.00 0.00 H new ATOM 0 HE1 TYR A 146 120.631 -16.677 -12.369 1.00 0.00 H new ATOM 0 HE2 TYR A 146 123.169 -16.453 -8.911 1.00 0.00 H new ATOM 0 HH TYR A 146 123.530 -17.864 -10.607 1.00 0.00 H new ATOM 2003 N ARG A 147 119.122 -16.229 -7.212 1.00 0.00 N ATOM 2004 CA ARG A 147 119.605 -17.008 -6.030 1.00 0.00 C ATOM 2005 C ARG A 147 120.953 -17.674 -6.322 1.00 0.00 C ATOM 2006 O ARG A 147 121.083 -18.463 -7.237 1.00 0.00 O ATOM 2007 CB ARG A 147 118.527 -18.066 -5.791 1.00 0.00 C ATOM 2008 CG ARG A 147 117.215 -17.379 -5.401 1.00 0.00 C ATOM 2009 CD ARG A 147 116.170 -18.434 -5.021 1.00 0.00 C ATOM 2010 NE ARG A 147 116.029 -19.297 -6.227 1.00 0.00 N ATOM 2011 CZ ARG A 147 116.095 -20.596 -6.111 1.00 0.00 C ATOM 2012 NH1 ARG A 147 115.255 -21.224 -5.333 1.00 0.00 N ATOM 2013 NH2 ARG A 147 116.999 -21.265 -6.771 1.00 0.00 N ATOM 0 H ARG A 147 119.060 -16.754 -8.084 1.00 0.00 H new ATOM 0 HA ARG A 147 119.761 -16.369 -5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 147 118.383 -18.664 -6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 147 118.841 -18.749 -5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 147 117.383 -16.702 -4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 147 116.850 -16.774 -6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 147 116.493 -19.015 -4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 147 115.220 -17.970 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 147 115.881 -18.873 -7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 147 114.548 -20.700 -4.817 1.00 0.00 H new ATOM 0 HH12 ARG A 147 115.305 -22.239 -5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 147 117.655 -20.774 -7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 147 117.050 -22.280 -6.680 1.00 0.00 H new ATOM 2024 N PHE A 148 121.958 -17.360 -5.540 1.00 0.00 N ATOM 2025 CA PHE A 148 123.301 -17.970 -5.761 1.00 0.00 C ATOM 2026 C PHE A 148 123.399 -19.310 -5.025 1.00 0.00 C ATOM 2027 CB PHE A 148 124.293 -16.963 -5.178 1.00 0.00 C ATOM 2028 CG PHE A 148 125.704 -17.447 -5.418 1.00 0.00 C ATOM 2029 CD1 PHE A 148 126.344 -17.165 -6.631 1.00 0.00 C ATOM 2030 CD2 PHE A 148 126.369 -18.179 -4.428 1.00 0.00 C ATOM 2031 CE1 PHE A 148 127.651 -17.616 -6.852 1.00 0.00 C ATOM 2032 CE2 PHE A 148 127.677 -18.630 -4.650 1.00 0.00 C ATOM 2033 CZ PHE A 148 128.317 -18.348 -5.863 1.00 0.00 C ATOM 0 H PHE A 148 121.903 -16.707 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 148 123.497 -18.171 -6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 148 124.149 -15.986 -5.640 1.00 0.00 H new ATOM 0 HB3 PHE A 148 124.116 -16.840 -4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 148 125.830 -16.600 -7.395 1.00 0.00 H new ATOM 0 HD2 PHE A 148 125.874 -18.396 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 148 128.146 -17.399 -7.787 1.00 0.00 H new ATOM 0 HE2 PHE A 148 128.191 -19.195 -3.886 1.00 0.00 H new ATOM 0 HZ PHE A 148 129.325 -18.696 -6.035 1.00 0.00 H new TER 2042 PHE A 148