USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1069 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 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 139 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 53 SER OG : rot 170:sc= 0.047 USER MOD Set 2.2: A 58 ASN : amide:sc= -2.72! K(o=-2.7!,f=-1.6) USER MOD Set 3.1: A 48 LYS NZ :NH3+ 175:sc= -0.862 (180deg=-0.991) USER MOD Set 3.2: A 51 THR OG1 : rot 90:sc= -0.91 USER MOD Set 4.1: A 25 ASN : amide:sc= -5.31 K(o=-7.7,f=-15!) USER MOD Set 4.2: A 27 LYS NZ :NH3+ -175:sc= -2.52 (180deg=-0.16) USER MOD Set 4.3: A 42 SER OG : rot 65:sc= 0.0906 USER MOD Single : A 1 ALA N :NH3+ -133:sc= -0.577 (180deg=-2.88!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0854 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.22) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 18 MET CE :methyl -155:sc= -0.2 (180deg=-1.3) USER MOD Single : A 19 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -159:sc= 0 (180deg=-0.0557) 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= -0.28 X(o=-0.28,f=-0.0014) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 123:sc= 0.263 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.655 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.537 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.014) USER MOD Single : A 78 SER OG : rot 110:sc= 0.145 USER MOD Single : A 80 TYR OH : rot 171:sc= 0.4 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.559 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=-0.044) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.000625 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 155:sc= -0.237 (180deg=-1) USER MOD Single : A 100 HIS : no HD1:sc= -0.0098 X(o=-0.0098,f=-0.0098) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -135:sc= 1.18 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -2.54 X(o=-2.5,f=-2.7) USER MOD Single : A 116 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 118 MET CE :methyl -156:sc= -0.203 (180deg=-1.3!) USER MOD Single : A 120 ASN : amide:sc= -1.02 K(o=-1,f=-0.21) USER MOD Single : A 126 SER OG : rot -170:sc= -0.97 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.088) USER MOD Single : A 130 SER OG : rot 180:sc= -0.321 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 113.169 -19.666 9.984 1.00 0.00 N ATOM 2 CA ALA A 1 112.962 -20.564 11.156 1.00 0.00 C ATOM 3 C ALA A 1 113.302 -19.811 12.438 1.00 0.00 C ATOM 4 O ALA A 1 112.489 -19.739 13.360 1.00 0.00 O ATOM 5 CB ALA A 1 113.866 -21.791 11.019 1.00 0.00 C ATOM 0 H1 ALA A 1 112.346 -19.727 9.350 1.00 0.00 H new ATOM 0 H2 ALA A 1 113.281 -18.686 10.313 1.00 0.00 H new ATOM 0 H3 ALA A 1 114.024 -19.958 9.470 1.00 0.00 H new ATOM 0 HA ALA A 1 111.921 -20.885 11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 1 113.717 -22.450 11.874 1.00 0.00 H new ATOM 0 HB2 ALA A 1 113.618 -22.325 10.102 1.00 0.00 H new ATOM 0 HB3 ALA A 1 114.908 -21.473 10.983 1.00 0.00 H new ATOM 13 N THR A 2 114.507 -19.250 12.487 1.00 0.00 N ATOM 14 CA THR A 2 114.967 -18.523 13.668 1.00 0.00 C ATOM 15 C THR A 2 115.206 -17.049 13.347 1.00 0.00 C ATOM 16 O THR A 2 114.935 -16.178 14.175 1.00 0.00 O ATOM 17 CB THR A 2 116.268 -19.145 14.184 1.00 0.00 C ATOM 18 OG1 THR A 2 117.269 -19.045 13.181 1.00 0.00 O ATOM 19 CG2 THR A 2 116.031 -20.617 14.528 1.00 0.00 C ATOM 0 H THR A 2 115.183 -19.284 11.724 1.00 0.00 H new ATOM 0 HA THR A 2 114.192 -18.592 14.432 1.00 0.00 H new ATOM 0 HB THR A 2 116.596 -18.614 15.078 1.00 0.00 H new ATOM 0 HG1 THR A 2 118.103 -19.441 13.510 1.00 0.00 H new ATOM 0 HG21 THR A 2 116.957 -21.059 14.895 1.00 0.00 H new ATOM 0 HG22 THR A 2 115.263 -20.692 15.298 1.00 0.00 H new ATOM 0 HG23 THR A 2 115.703 -21.151 13.636 1.00 0.00 H new ATOM 27 N SER A 3 115.710 -16.770 12.148 1.00 0.00 N ATOM 28 CA SER A 3 115.993 -15.394 11.754 1.00 0.00 C ATOM 29 C SER A 3 115.860 -15.231 10.244 1.00 0.00 C ATOM 30 O SER A 3 116.365 -16.048 9.474 1.00 0.00 O ATOM 31 CB SER A 3 117.407 -15.009 12.187 1.00 0.00 C ATOM 32 OG SER A 3 117.625 -13.635 11.900 1.00 0.00 O ATOM 0 H SER A 3 115.929 -17.470 11.439 1.00 0.00 H new ATOM 0 HA SER A 3 115.272 -14.740 12.243 1.00 0.00 H new ATOM 0 HB2 SER A 3 117.537 -15.195 13.253 1.00 0.00 H new ATOM 0 HB3 SER A 3 118.140 -15.623 11.664 1.00 0.00 H new ATOM 0 HG SER A 3 118.530 -13.382 12.178 1.00 0.00 H new ATOM 38 N THR A 4 115.183 -14.166 9.824 1.00 0.00 N ATOM 39 CA THR A 4 114.993 -13.897 8.404 1.00 0.00 C ATOM 40 C THR A 4 115.369 -12.456 8.086 1.00 0.00 C ATOM 41 O THR A 4 115.076 -11.544 8.859 1.00 0.00 O ATOM 42 CB THR A 4 113.531 -14.144 8.020 1.00 0.00 C ATOM 43 OG1 THR A 4 113.156 -15.455 8.413 1.00 0.00 O ATOM 44 CG2 THR A 4 113.367 -13.998 6.506 1.00 0.00 C ATOM 0 H THR A 4 114.758 -13.478 10.445 1.00 0.00 H new ATOM 0 HA THR A 4 115.636 -14.565 7.831 1.00 0.00 H new ATOM 0 HB THR A 4 112.895 -13.416 8.524 1.00 0.00 H new ATOM 0 HG1 THR A 4 112.220 -15.614 8.170 1.00 0.00 H new ATOM 0 HG21 THR A 4 112.326 -14.174 6.234 1.00 0.00 H new ATOM 0 HG22 THR A 4 113.656 -12.991 6.204 1.00 0.00 H new ATOM 0 HG23 THR A 4 114.002 -14.725 5.999 1.00 0.00 H new ATOM 52 N VAL A 5 116.021 -12.254 6.944 1.00 0.00 N ATOM 53 CA VAL A 5 116.418 -10.910 6.526 1.00 0.00 C ATOM 54 C VAL A 5 115.984 -10.652 5.084 1.00 0.00 C ATOM 55 O VAL A 5 116.237 -11.467 4.197 1.00 0.00 O ATOM 56 CB VAL A 5 117.939 -10.757 6.669 1.00 0.00 C ATOM 57 CG1 VAL A 5 118.661 -11.754 5.760 1.00 0.00 C ATOM 58 CG2 VAL A 5 118.357 -9.331 6.298 1.00 0.00 C ATOM 0 H VAL A 5 116.284 -12.996 6.296 1.00 0.00 H new ATOM 0 HA VAL A 5 115.927 -10.175 7.164 1.00 0.00 H new ATOM 0 HB VAL A 5 118.213 -10.957 7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 5 119.739 -11.634 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 5 118.378 -12.770 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 5 118.381 -11.569 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 5 119.437 -9.230 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 5 118.071 -9.125 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 5 117.861 -8.622 6.961 1.00 0.00 H new ATOM 68 N THR A 6 115.330 -9.514 4.859 1.00 0.00 N ATOM 69 CA THR A 6 114.859 -9.160 3.522 1.00 0.00 C ATOM 70 C THR A 6 115.328 -7.759 3.145 1.00 0.00 C ATOM 71 O THR A 6 115.384 -6.863 3.988 1.00 0.00 O ATOM 72 CB THR A 6 113.329 -9.210 3.458 1.00 0.00 C ATOM 73 OG1 THR A 6 112.787 -8.252 4.352 1.00 0.00 O ATOM 74 CG2 THR A 6 112.816 -10.605 3.832 1.00 0.00 C ATOM 0 H THR A 6 115.115 -8.825 5.580 1.00 0.00 H new ATOM 0 HA THR A 6 115.273 -9.883 2.819 1.00 0.00 H new ATOM 0 HB THR A 6 113.016 -8.985 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 6 111.808 -8.282 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 6 111.727 -10.618 3.780 1.00 0.00 H new ATOM 0 HG22 THR A 6 113.221 -11.340 3.137 1.00 0.00 H new ATOM 0 HG23 THR A 6 113.134 -10.850 4.845 1.00 0.00 H new ATOM 82 N GLY A 7 115.663 -7.575 1.875 1.00 0.00 N ATOM 83 CA GLY A 7 115.992 -6.250 1.359 1.00 0.00 C ATOM 84 C GLY A 7 115.118 -5.969 0.149 1.00 0.00 C ATOM 85 O GLY A 7 114.873 -6.876 -0.649 1.00 0.00 O ATOM 0 H GLY A 7 115.714 -8.323 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 7 115.829 -5.494 2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 7 117.046 -6.202 1.084 1.00 0.00 H new ATOM 89 N GLY A 8 114.644 -4.733 0.013 1.00 0.00 N ATOM 90 CA GLY A 8 113.707 -4.427 -1.060 1.00 0.00 C ATOM 91 C GLY A 8 113.837 -2.990 -1.544 1.00 0.00 C ATOM 92 O GLY A 8 114.525 -2.171 -0.933 1.00 0.00 O ATOM 0 H GLY A 8 114.886 -3.947 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 8 113.878 -5.107 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 8 112.689 -4.601 -0.712 1.00 0.00 H new ATOM 96 N TYR A 9 113.117 -2.699 -2.622 1.00 0.00 N ATOM 97 CA TYR A 9 113.133 -1.376 -3.226 1.00 0.00 C ATOM 98 C TYR A 9 111.755 -0.747 -3.084 1.00 0.00 C ATOM 99 O TYR A 9 110.740 -1.428 -3.230 1.00 0.00 O ATOM 100 CB TYR A 9 113.505 -1.477 -4.707 1.00 0.00 C ATOM 101 CG TYR A 9 114.871 -2.072 -4.945 1.00 0.00 C ATOM 102 CD1 TYR A 9 115.015 -3.456 -5.103 1.00 0.00 C ATOM 103 CD2 TYR A 9 115.996 -1.241 -5.008 1.00 0.00 C ATOM 104 CE1 TYR A 9 116.282 -4.008 -5.324 1.00 0.00 C ATOM 105 CE2 TYR A 9 117.264 -1.793 -5.230 1.00 0.00 C ATOM 106 CZ TYR A 9 117.408 -3.176 -5.388 1.00 0.00 C ATOM 107 OH TYR A 9 118.656 -3.721 -5.605 1.00 0.00 O ATOM 0 H TYR A 9 112.511 -3.369 -3.097 1.00 0.00 H new ATOM 0 HA TYR A 9 113.874 -0.757 -2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 9 112.759 -2.083 -5.220 1.00 0.00 H new ATOM 0 HB3 TYR A 9 113.468 -0.482 -5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 9 114.148 -4.098 -5.054 1.00 0.00 H new ATOM 0 HD2 TYR A 9 115.886 -0.174 -4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 9 116.392 -5.076 -5.445 1.00 0.00 H new ATOM 0 HE2 TYR A 9 118.131 -1.151 -5.279 1.00 0.00 H new ATOM 0 HH TYR A 9 119.326 -3.006 -5.622 1.00 0.00 H new ATOM 117 N ALA A 10 111.732 0.539 -2.756 1.00 0.00 N ATOM 118 CA ALA A 10 110.478 1.253 -2.554 1.00 0.00 C ATOM 119 C ALA A 10 110.354 2.410 -3.537 1.00 0.00 C ATOM 120 O ALA A 10 111.330 3.108 -3.805 1.00 0.00 O ATOM 121 CB ALA A 10 110.426 1.804 -1.127 1.00 0.00 C ATOM 0 H ALA A 10 112.568 1.109 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 10 109.655 0.558 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.488 2.338 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 10 110.492 0.980 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 10 111.261 2.487 -0.970 1.00 0.00 H new ATOM 127 N GLN A 11 109.148 2.608 -4.060 1.00 0.00 N ATOM 128 CA GLN A 11 108.870 3.762 -4.907 1.00 0.00 C ATOM 129 C GLN A 11 107.733 4.567 -4.291 1.00 0.00 C ATOM 130 O GLN A 11 106.711 3.994 -3.918 1.00 0.00 O ATOM 131 CB GLN A 11 108.471 3.301 -6.313 1.00 0.00 C ATOM 132 CG GLN A 11 109.567 2.410 -6.914 1.00 0.00 C ATOM 133 CD GLN A 11 110.896 3.159 -6.992 1.00 0.00 C ATOM 134 OE1 GLN A 11 110.945 4.285 -7.488 1.00 0.00 O ATOM 135 NE2 GLN A 11 111.980 2.598 -6.530 1.00 0.00 N ATOM 0 H GLN A 11 108.352 1.988 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 11 109.765 4.380 -4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 11 107.530 2.752 -6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 11 108.305 4.167 -6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 11 109.686 1.513 -6.307 1.00 0.00 H new ATOM 0 HG3 GLN A 11 109.270 2.083 -7.911 1.00 0.00 H new ATOM 0 HE21 GLN A 11 111.936 1.665 -6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 11 112.871 3.092 -6.579 1.00 0.00 H new ATOM 144 N SER A 12 107.912 5.883 -4.187 1.00 0.00 N ATOM 145 CA SER A 12 106.910 6.739 -3.552 1.00 0.00 C ATOM 146 C SER A 12 106.301 7.689 -4.573 1.00 0.00 C ATOM 147 O SER A 12 107.028 8.316 -5.347 1.00 0.00 O ATOM 148 CB SER A 12 107.557 7.547 -2.426 1.00 0.00 C ATOM 149 OG SER A 12 106.550 8.286 -1.746 1.00 0.00 O ATOM 0 H SER A 12 108.735 6.377 -4.531 1.00 0.00 H new ATOM 0 HA SER A 12 106.122 6.107 -3.141 1.00 0.00 H new ATOM 0 HB2 SER A 12 108.069 6.881 -1.731 1.00 0.00 H new ATOM 0 HB3 SER A 12 108.310 8.223 -2.832 1.00 0.00 H new ATOM 0 HG SER A 12 106.958 8.805 -1.022 1.00 0.00 H new ATOM 155 N ASP A 13 104.976 7.813 -4.531 1.00 0.00 N ATOM 156 CA ASP A 13 104.248 8.597 -5.522 1.00 0.00 C ATOM 157 C ASP A 13 104.228 10.073 -5.149 1.00 0.00 C ATOM 158 O ASP A 13 103.776 10.448 -4.067 1.00 0.00 O ATOM 159 CB ASP A 13 102.812 8.079 -5.640 1.00 0.00 C ATOM 160 CG ASP A 13 102.076 8.802 -6.766 1.00 0.00 C ATOM 161 OD1 ASP A 13 102.720 9.176 -7.734 1.00 0.00 O ATOM 162 OD2 ASP A 13 100.873 8.969 -6.645 1.00 0.00 O ATOM 0 H ASP A 13 104.386 7.380 -3.821 1.00 0.00 H new ATOM 0 HA ASP A 13 104.758 8.491 -6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 13 102.820 7.006 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 13 102.286 8.230 -4.697 1.00 0.00 H new ATOM 167 N ALA A 14 104.722 10.905 -6.058 1.00 0.00 N ATOM 168 CA ALA A 14 104.746 12.347 -5.840 1.00 0.00 C ATOM 169 C ALA A 14 103.650 13.028 -6.654 1.00 0.00 C ATOM 170 O ALA A 14 103.356 12.624 -7.780 1.00 0.00 O ATOM 171 CB ALA A 14 106.108 12.913 -6.246 1.00 0.00 C ATOM 0 H ALA A 14 105.111 10.607 -6.952 1.00 0.00 H new ATOM 0 HA ALA A 14 104.572 12.539 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 14 106.118 13.990 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 14 106.889 12.446 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 14 106.288 12.706 -7.301 1.00 0.00 H new ATOM 177 N GLN A 15 103.048 14.062 -6.077 1.00 0.00 N ATOM 178 CA GLN A 15 102.030 14.832 -6.779 1.00 0.00 C ATOM 179 C GLN A 15 102.705 15.969 -7.537 1.00 0.00 C ATOM 180 O GLN A 15 103.780 16.421 -7.143 1.00 0.00 O ATOM 181 CB GLN A 15 101.014 15.399 -5.784 1.00 0.00 C ATOM 182 CG GLN A 15 100.273 14.249 -5.100 1.00 0.00 C ATOM 183 CD GLN A 15 99.313 14.783 -4.039 1.00 0.00 C ATOM 184 OE1 GLN A 15 99.442 15.925 -3.592 1.00 0.00 O ATOM 185 NE2 GLN A 15 98.349 14.019 -3.604 1.00 0.00 N ATOM 0 H GLN A 15 103.246 14.385 -5.130 1.00 0.00 H new ATOM 0 HA GLN A 15 101.503 14.184 -7.479 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.522 16.012 -5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 15 100.305 16.046 -6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 15 99.720 13.673 -5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.991 13.570 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 15 98.241 13.074 -3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 15 97.703 14.367 -2.895 1.00 0.00 H new ATOM 194 N GLY A 16 102.085 16.426 -8.626 1.00 0.00 N ATOM 195 CA GLY A 16 102.740 17.381 -9.523 1.00 0.00 C ATOM 196 C GLY A 16 103.326 18.572 -8.766 1.00 0.00 C ATOM 197 O GLY A 16 102.599 19.458 -8.321 1.00 0.00 O ATOM 0 H GLY A 16 101.142 16.155 -8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 16 103.534 16.875 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 16 102.020 17.739 -10.259 1.00 0.00 H new ATOM 201 N GLN A 17 104.657 18.593 -8.724 1.00 0.00 N ATOM 202 CA GLN A 17 105.433 19.584 -7.982 1.00 0.00 C ATOM 203 C GLN A 17 106.888 19.125 -7.964 1.00 0.00 C ATOM 204 O GLN A 17 107.797 19.855 -8.360 1.00 0.00 O ATOM 205 CB GLN A 17 104.946 19.716 -6.532 1.00 0.00 C ATOM 206 CG GLN A 17 105.721 20.832 -5.824 1.00 0.00 C ATOM 207 CD GLN A 17 105.220 21.023 -4.392 1.00 0.00 C ATOM 208 OE1 GLN A 17 104.217 20.436 -3.986 1.00 0.00 O ATOM 209 NE2 GLN A 17 105.873 21.822 -3.590 1.00 0.00 N ATOM 0 H GLN A 17 105.236 17.910 -9.213 1.00 0.00 H new ATOM 0 HA GLN A 17 105.319 20.553 -8.468 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.878 19.935 -6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 17 105.086 18.772 -6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 17 106.784 20.591 -5.812 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.612 21.764 -6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.705 22.310 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 17 105.551 21.957 -2.632 1.00 0.00 H new ATOM 218 N MET A 18 107.081 17.895 -7.496 1.00 0.00 N ATOM 219 CA MET A 18 108.401 17.280 -7.444 1.00 0.00 C ATOM 220 C MET A 18 108.359 15.900 -8.096 1.00 0.00 C ATOM 221 O MET A 18 107.291 15.417 -8.469 1.00 0.00 O ATOM 222 CB MET A 18 108.863 17.144 -5.991 1.00 0.00 C ATOM 223 CG MET A 18 109.021 18.535 -5.372 1.00 0.00 C ATOM 224 SD MET A 18 109.776 18.392 -3.733 1.00 0.00 S ATOM 225 CE MET A 18 108.496 17.369 -2.966 1.00 0.00 C ATOM 0 H MET A 18 106.330 17.301 -7.144 1.00 0.00 H new ATOM 0 HA MET A 18 109.103 17.914 -7.985 1.00 0.00 H new ATOM 0 HB2 MET A 18 108.139 16.561 -5.421 1.00 0.00 H new ATOM 0 HB3 MET A 18 109.810 16.606 -5.948 1.00 0.00 H new ATOM 0 HG2 MET A 18 109.640 19.161 -6.015 1.00 0.00 H new ATOM 0 HG3 MET A 18 108.049 19.021 -5.294 1.00 0.00 H new ATOM 0 HE1 MET A 18 108.509 17.518 -1.886 1.00 0.00 H new ATOM 0 HE2 MET A 18 107.520 17.652 -3.359 1.00 0.00 H new ATOM 0 HE3 MET A 18 108.687 16.319 -3.190 1.00 0.00 H new ATOM 235 N ASN A 19 109.522 15.270 -8.230 1.00 0.00 N ATOM 236 CA ASN A 19 109.595 13.953 -8.856 1.00 0.00 C ATOM 237 C ASN A 19 109.484 12.849 -7.808 1.00 0.00 C ATOM 238 O ASN A 19 109.682 13.088 -6.616 1.00 0.00 O ATOM 239 CB ASN A 19 110.916 13.810 -9.613 1.00 0.00 C ATOM 240 CG ASN A 19 110.980 14.811 -10.764 1.00 0.00 C ATOM 241 OD1 ASN A 19 109.947 15.278 -11.244 1.00 0.00 O ATOM 242 ND2 ASN A 19 112.141 15.171 -11.237 1.00 0.00 N ATOM 0 H ASN A 19 110.418 15.644 -7.918 1.00 0.00 H new ATOM 0 HA ASN A 19 108.762 13.857 -9.553 1.00 0.00 H new ATOM 0 HB2 ASN A 19 111.752 13.974 -8.933 1.00 0.00 H new ATOM 0 HB3 ASN A 19 111.013 12.795 -9.999 1.00 0.00 H new ATOM 0 HD21 ASN A 19 112.194 15.840 -12.005 1.00 0.00 H new ATOM 0 HD22 ASN A 19 112.996 14.784 -10.839 1.00 0.00 H new ATOM 249 N LYS A 20 109.167 11.640 -8.262 1.00 0.00 N ATOM 250 CA LYS A 20 109.014 10.504 -7.357 1.00 0.00 C ATOM 251 C LYS A 20 110.285 10.295 -6.541 1.00 0.00 C ATOM 252 O LYS A 20 111.323 10.888 -6.833 1.00 0.00 O ATOM 253 CB LYS A 20 108.705 9.235 -8.154 1.00 0.00 C ATOM 254 CG LYS A 20 107.356 9.389 -8.860 1.00 0.00 C ATOM 255 CD LYS A 20 107.001 8.079 -9.566 1.00 0.00 C ATOM 256 CE LYS A 20 105.713 8.264 -10.372 1.00 0.00 C ATOM 257 NZ LYS A 20 105.290 6.951 -10.941 1.00 0.00 N ATOM 0 H LYS A 20 109.012 11.422 -9.246 1.00 0.00 H new ATOM 0 HA LYS A 20 108.188 10.716 -6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 20 109.492 9.053 -8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 20 108.682 8.372 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 20 106.582 9.647 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 107.402 10.204 -9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 20 107.815 7.777 -10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 20 106.872 7.282 -8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.926 8.666 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.873 8.985 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 104.415 7.076 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 106.039 6.585 -11.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 105.121 6.276 -10.168 1.00 0.00 H new ATOM 271 N MET A 21 110.202 9.448 -5.516 1.00 0.00 N ATOM 272 CA MET A 21 111.343 9.214 -4.630 1.00 0.00 C ATOM 273 C MET A 21 111.652 7.725 -4.530 1.00 0.00 C ATOM 274 O MET A 21 110.787 6.893 -4.800 1.00 0.00 O ATOM 275 CB MET A 21 111.041 9.768 -3.237 1.00 0.00 C ATOM 276 CG MET A 21 110.900 11.289 -3.313 1.00 0.00 C ATOM 277 SD MET A 21 110.661 11.960 -1.648 1.00 0.00 S ATOM 278 CE MET A 21 110.402 13.684 -2.132 1.00 0.00 C ATOM 0 H MET A 21 109.365 8.916 -5.279 1.00 0.00 H new ATOM 0 HA MET A 21 112.212 9.724 -5.046 1.00 0.00 H new ATOM 0 HB2 MET A 21 110.123 9.326 -2.849 1.00 0.00 H new ATOM 0 HB3 MET A 21 111.840 9.500 -2.546 1.00 0.00 H new ATOM 0 HG2 MET A 21 111.790 11.725 -3.767 1.00 0.00 H new ATOM 0 HG3 MET A 21 110.055 11.555 -3.948 1.00 0.00 H new ATOM 0 HE1 MET A 21 110.602 14.335 -1.281 1.00 0.00 H new ATOM 0 HE2 MET A 21 111.077 13.938 -2.949 1.00 0.00 H new ATOM 0 HE3 MET A 21 109.371 13.819 -2.458 1.00 0.00 H new ATOM 288 N GLY A 22 112.876 7.394 -4.119 1.00 0.00 N ATOM 289 CA GLY A 22 113.285 5.994 -4.009 1.00 0.00 C ATOM 290 C GLY A 22 113.685 5.676 -2.576 1.00 0.00 C ATOM 291 O GLY A 22 114.213 6.535 -1.874 1.00 0.00 O ATOM 0 H GLY A 22 113.595 8.069 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 22 112.468 5.343 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 22 114.121 5.798 -4.680 1.00 0.00 H new ATOM 295 N GLY A 23 113.433 4.445 -2.141 1.00 0.00 N ATOM 296 CA GLY A 23 113.726 4.060 -0.765 1.00 0.00 C ATOM 297 C GLY A 23 114.320 2.659 -0.678 1.00 0.00 C ATOM 298 O GLY A 23 113.945 1.770 -1.438 1.00 0.00 O ATOM 0 H GLY A 23 113.031 3.704 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 23 114.422 4.776 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 23 112.811 4.103 -0.174 1.00 0.00 H new ATOM 302 N PHE A 24 115.262 2.478 0.243 1.00 0.00 N ATOM 303 CA PHE A 24 115.841 1.162 0.498 1.00 0.00 C ATOM 304 C PHE A 24 115.341 0.646 1.842 1.00 0.00 C ATOM 305 O PHE A 24 115.349 1.390 2.826 1.00 0.00 O ATOM 306 CB PHE A 24 117.368 1.256 0.516 1.00 0.00 C ATOM 307 CG PHE A 24 118.052 -0.082 0.660 1.00 0.00 C ATOM 308 CD1 PHE A 24 118.391 -0.821 -0.479 1.00 0.00 C ATOM 309 CD2 PHE A 24 118.349 -0.583 1.933 1.00 0.00 C ATOM 310 CE1 PHE A 24 119.026 -2.062 -0.345 1.00 0.00 C ATOM 311 CE2 PHE A 24 118.983 -1.823 2.067 1.00 0.00 C ATOM 312 CZ PHE A 24 119.322 -2.563 0.928 1.00 0.00 C ATOM 0 H PHE A 24 115.641 3.225 0.825 1.00 0.00 H new ATOM 0 HA PHE A 24 115.540 0.475 -0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 24 117.706 1.731 -0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 24 117.675 1.902 1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 24 118.163 -0.434 -1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 24 118.089 -0.012 2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 24 119.287 -2.633 -1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 24 119.211 -2.209 3.049 1.00 0.00 H new ATOM 0 HZ PHE A 24 119.812 -3.520 1.032 1.00 0.00 H new ATOM 322 N ASN A 25 114.889 -0.608 1.884 1.00 0.00 N ATOM 323 CA ASN A 25 114.311 -1.163 3.106 1.00 0.00 C ATOM 324 C ASN A 25 115.034 -2.436 3.535 1.00 0.00 C ATOM 325 O ASN A 25 115.283 -3.318 2.714 1.00 0.00 O ATOM 326 CB ASN A 25 112.831 -1.475 2.871 1.00 0.00 C ATOM 327 CG ASN A 25 112.153 -1.851 4.186 1.00 0.00 C ATOM 328 OD1 ASN A 25 112.728 -2.574 4.998 1.00 0.00 O ATOM 329 ND2 ASN A 25 110.957 -1.396 4.444 1.00 0.00 N ATOM 0 H ASN A 25 114.912 -1.252 1.094 1.00 0.00 H new ATOM 0 HA ASN A 25 114.420 -0.425 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.335 -0.609 2.433 1.00 0.00 H new ATOM 0 HB3 ASN A 25 112.734 -2.293 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 25 110.497 -1.640 5.321 1.00 0.00 H new ATOM 0 HD22 ASN A 25 110.483 -0.797 3.769 1.00 0.00 H new ATOM 336 N LEU A 26 115.369 -2.512 4.822 1.00 0.00 N ATOM 337 CA LEU A 26 115.981 -3.711 5.389 1.00 0.00 C ATOM 338 C LEU A 26 115.161 -4.170 6.591 1.00 0.00 C ATOM 339 O LEU A 26 114.830 -3.357 7.453 1.00 0.00 O ATOM 340 CB LEU A 26 117.420 -3.406 5.818 1.00 0.00 C ATOM 341 CG LEU A 26 118.172 -4.712 6.104 1.00 0.00 C ATOM 342 CD1 LEU A 26 119.671 -4.510 5.856 1.00 0.00 C ATOM 343 CD2 LEU A 26 117.955 -5.129 7.562 1.00 0.00 C ATOM 0 H LEU A 26 115.226 -1.756 5.492 1.00 0.00 H new ATOM 0 HA LEU A 26 116.000 -4.503 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 26 117.931 -2.847 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 26 117.417 -2.776 6.708 1.00 0.00 H new ATOM 0 HG LEU A 26 117.793 -5.491 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 26 120.202 -5.440 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 26 119.832 -4.220 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 26 120.046 -3.726 6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 26 118.492 -6.057 7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 26 118.328 -4.347 8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 26 116.891 -5.280 7.743 1.00 0.00 H new ATOM 355 N LYS A 27 114.819 -5.458 6.647 1.00 0.00 N ATOM 356 CA LYS A 27 113.935 -5.953 7.701 1.00 0.00 C ATOM 357 C LYS A 27 114.530 -7.157 8.423 1.00 0.00 C ATOM 358 O LYS A 27 115.237 -7.972 7.827 1.00 0.00 O ATOM 359 CB LYS A 27 112.593 -6.366 7.094 1.00 0.00 C ATOM 360 CG LYS A 27 111.919 -5.150 6.456 1.00 0.00 C ATOM 361 CD LYS A 27 110.528 -5.543 5.951 1.00 0.00 C ATOM 362 CE LYS A 27 109.905 -4.364 5.201 1.00 0.00 C ATOM 363 NZ LYS A 27 110.557 -4.220 3.871 1.00 0.00 N ATOM 0 H LYS A 27 115.135 -6.167 5.986 1.00 0.00 H new ATOM 0 HA LYS A 27 113.803 -5.146 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 27 112.746 -7.144 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 27 111.949 -6.788 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 27 111.839 -4.342 7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 27 112.525 -4.776 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.600 -6.409 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 27 109.893 -5.831 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 27 108.834 -4.523 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 27 110.026 -3.447 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 110.194 -3.369 3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 111.586 -4.134 3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 110.348 -5.056 3.289 1.00 0.00 H new ATOM 377 N TYR A 28 114.235 -7.250 9.714 1.00 0.00 N ATOM 378 CA TYR A 28 114.581 -8.427 10.505 1.00 0.00 C ATOM 379 C TYR A 28 113.299 -9.045 11.052 1.00 0.00 C ATOM 380 O TYR A 28 112.446 -8.328 11.573 1.00 0.00 O ATOM 381 CB TYR A 28 115.500 -8.037 11.664 1.00 0.00 C ATOM 382 CG TYR A 28 116.812 -7.434 11.220 1.00 0.00 C ATOM 383 CD1 TYR A 28 117.866 -8.265 10.821 1.00 0.00 C ATOM 384 CD2 TYR A 28 116.974 -6.044 11.213 1.00 0.00 C ATOM 385 CE1 TYR A 28 119.081 -7.705 10.413 1.00 0.00 C ATOM 386 CE2 TYR A 28 118.191 -5.484 10.805 1.00 0.00 C ATOM 387 CZ TYR A 28 119.246 -6.315 10.403 1.00 0.00 C ATOM 388 OH TYR A 28 120.444 -5.763 10.002 1.00 0.00 O ATOM 0 H TYR A 28 113.754 -6.520 10.239 1.00 0.00 H new ATOM 0 HA TYR A 28 115.104 -9.146 9.875 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.981 -7.324 12.304 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.702 -8.921 12.269 1.00 0.00 H new ATOM 0 HD1 TYR A 28 117.741 -9.338 10.828 1.00 0.00 H new ATOM 0 HD2 TYR A 28 116.161 -5.404 11.522 1.00 0.00 H new ATOM 0 HE1 TYR A 28 119.894 -8.346 10.105 1.00 0.00 H new ATOM 0 HE2 TYR A 28 118.317 -4.411 10.800 1.00 0.00 H new ATOM 0 HH TYR A 28 120.388 -4.786 10.054 1.00 0.00 H new ATOM 398 N ARG A 29 113.161 -10.361 10.919 1.00 0.00 N ATOM 399 CA ARG A 29 111.929 -11.035 11.329 1.00 0.00 C ATOM 400 C ARG A 29 112.227 -12.316 12.099 1.00 0.00 C ATOM 401 O ARG A 29 113.190 -13.021 11.795 1.00 0.00 O ATOM 402 CB ARG A 29 111.095 -11.375 10.094 1.00 0.00 C ATOM 403 CG ARG A 29 110.641 -10.082 9.411 1.00 0.00 C ATOM 404 CD ARG A 29 109.712 -10.414 8.241 1.00 0.00 C ATOM 405 NE ARG A 29 110.383 -11.298 7.283 1.00 0.00 N ATOM 406 CZ ARG A 29 109.883 -11.595 6.075 1.00 0.00 C ATOM 407 NH1 ARG A 29 108.736 -11.115 5.654 1.00 0.00 N ATOM 408 NH2 ARG A 29 110.558 -12.388 5.289 1.00 0.00 N ATOM 0 H ARG A 29 113.877 -10.978 10.535 1.00 0.00 H new ATOM 0 HA ARG A 29 111.377 -10.360 11.983 1.00 0.00 H new ATOM 0 HB2 ARG A 29 111.682 -11.978 9.401 1.00 0.00 H new ATOM 0 HB3 ARG A 29 110.228 -11.971 10.380 1.00 0.00 H new ATOM 0 HG2 ARG A 29 110.125 -9.443 10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 29 111.507 -9.525 9.053 1.00 0.00 H new ATOM 0 HD2 ARG A 29 108.807 -10.893 8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 29 109.404 -9.495 7.742 1.00 0.00 H new ATOM 0 HE ARG A 29 111.278 -11.709 7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 29 108.193 -10.493 6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 29 108.388 -11.364 4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 29 111.452 -12.772 5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 29 110.192 -12.624 4.367 1.00 0.00 H new ATOM 422 N TYR A 30 111.401 -12.613 13.097 1.00 0.00 N ATOM 423 CA TYR A 30 111.502 -13.883 13.813 1.00 0.00 C ATOM 424 C TYR A 30 110.262 -14.719 13.523 1.00 0.00 C ATOM 425 O TYR A 30 109.152 -14.186 13.485 1.00 0.00 O ATOM 426 CB TYR A 30 111.612 -13.630 15.316 1.00 0.00 C ATOM 427 CG TYR A 30 112.817 -12.806 15.702 1.00 0.00 C ATOM 428 CD1 TYR A 30 112.724 -11.411 15.759 1.00 0.00 C ATOM 429 CD2 TYR A 30 114.029 -13.439 16.004 1.00 0.00 C ATOM 430 CE1 TYR A 30 113.841 -10.646 16.116 1.00 0.00 C ATOM 431 CE2 TYR A 30 115.147 -12.674 16.361 1.00 0.00 C ATOM 432 CZ TYR A 30 115.053 -11.279 16.418 1.00 0.00 C ATOM 433 OH TYR A 30 116.155 -10.527 16.770 1.00 0.00 O ATOM 0 H TYR A 30 110.658 -11.997 13.428 1.00 0.00 H new ATOM 0 HA TYR A 30 112.392 -14.416 13.480 1.00 0.00 H new ATOM 0 HB2 TYR A 30 110.710 -13.122 15.658 1.00 0.00 H new ATOM 0 HB3 TYR A 30 111.655 -14.587 15.835 1.00 0.00 H new ATOM 0 HD1 TYR A 30 111.789 -10.923 15.527 1.00 0.00 H new ATOM 0 HD2 TYR A 30 114.102 -14.516 15.962 1.00 0.00 H new ATOM 0 HE1 TYR A 30 113.768 -9.569 16.158 1.00 0.00 H new ATOM 0 HE2 TYR A 30 116.083 -13.161 16.592 1.00 0.00 H new ATOM 0 HH TYR A 30 116.913 -11.122 16.949 1.00 0.00 H new ATOM 443 N GLU A 31 110.447 -16.022 13.318 1.00 0.00 N ATOM 444 CA GLU A 31 109.314 -16.889 13.009 1.00 0.00 C ATOM 445 C GLU A 31 108.749 -17.509 14.281 1.00 0.00 C ATOM 446 O GLU A 31 109.475 -18.090 15.087 1.00 0.00 O ATOM 447 CB GLU A 31 109.732 -17.982 12.025 1.00 0.00 C ATOM 448 CG GLU A 31 110.131 -17.331 10.695 1.00 0.00 C ATOM 449 CD GLU A 31 110.445 -18.375 9.620 1.00 0.00 C ATOM 450 OE1 GLU A 31 110.524 -19.554 9.934 1.00 0.00 O ATOM 451 OE2 GLU A 31 110.597 -17.971 8.478 1.00 0.00 O ATOM 0 H GLU A 31 111.351 -16.492 13.359 1.00 0.00 H new ATOM 0 HA GLU A 31 108.535 -16.283 12.546 1.00 0.00 H new ATOM 0 HB2 GLU A 31 110.567 -18.554 12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 31 108.912 -18.683 11.870 1.00 0.00 H new ATOM 0 HG2 GLU A 31 109.323 -16.686 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 31 111.003 -16.695 10.849 1.00 0.00 H new ATOM 458 N GLU A 32 107.438 -17.370 14.441 1.00 0.00 N ATOM 459 CA GLU A 32 106.760 -17.791 15.662 1.00 0.00 C ATOM 460 C GLU A 32 105.485 -18.562 15.335 1.00 0.00 C ATOM 461 O GLU A 32 104.877 -18.365 14.282 1.00 0.00 O ATOM 462 CB GLU A 32 106.427 -16.572 16.522 1.00 0.00 C ATOM 463 CG GLU A 32 107.724 -15.854 16.910 1.00 0.00 C ATOM 464 CD GLU A 32 108.634 -16.754 17.747 1.00 0.00 C ATOM 465 OE1 GLU A 32 108.157 -17.739 18.292 1.00 0.00 O ATOM 466 OE2 GLU A 32 109.812 -16.442 17.834 1.00 0.00 O ATOM 0 H GLU A 32 106.820 -16.967 13.737 1.00 0.00 H new ATOM 0 HA GLU A 32 107.428 -18.450 16.217 1.00 0.00 H new ATOM 0 HB2 GLU A 32 105.773 -15.894 15.974 1.00 0.00 H new ATOM 0 HB3 GLU A 32 105.887 -16.881 17.417 1.00 0.00 H new ATOM 0 HG2 GLU A 32 108.251 -15.540 16.009 1.00 0.00 H new ATOM 0 HG3 GLU A 32 107.487 -14.951 17.472 1.00 0.00 H new ATOM 473 N ASP A 33 105.089 -19.435 16.251 1.00 0.00 N ATOM 474 CA ASP A 33 103.924 -20.286 16.050 1.00 0.00 C ATOM 475 C ASP A 33 102.636 -19.481 16.202 1.00 0.00 C ATOM 476 O ASP A 33 102.664 -18.259 16.352 1.00 0.00 O ATOM 477 CB ASP A 33 103.934 -21.435 17.062 1.00 0.00 C ATOM 478 CG ASP A 33 105.156 -22.326 16.849 1.00 0.00 C ATOM 479 OD1 ASP A 33 105.596 -22.442 15.717 1.00 0.00 O ATOM 480 OD2 ASP A 33 105.634 -22.880 17.825 1.00 0.00 O ATOM 0 H ASP A 33 105.560 -19.573 17.145 1.00 0.00 H new ATOM 0 HA ASP A 33 103.966 -20.692 15.039 1.00 0.00 H new ATOM 0 HB2 ASP A 33 103.941 -21.034 18.076 1.00 0.00 H new ATOM 0 HB3 ASP A 33 103.024 -22.026 16.959 1.00 0.00 H new ATOM 485 N ASN A 34 101.507 -20.161 16.068 1.00 0.00 N ATOM 486 CA ASN A 34 100.211 -19.503 16.154 1.00 0.00 C ATOM 487 C ASN A 34 100.051 -18.697 17.445 1.00 0.00 C ATOM 488 O ASN A 34 99.391 -17.655 17.434 1.00 0.00 O ATOM 489 CB ASN A 34 99.095 -20.546 16.067 1.00 0.00 C ATOM 490 CG ASN A 34 99.163 -21.274 14.729 1.00 0.00 C ATOM 491 OD1 ASN A 34 99.080 -22.500 14.683 1.00 0.00 O ATOM 492 ND2 ASN A 34 99.308 -20.585 13.630 1.00 0.00 N ATOM 0 H ASN A 34 101.461 -21.166 15.900 1.00 0.00 H new ATOM 0 HA ASN A 34 100.147 -18.806 15.318 1.00 0.00 H new ATOM 0 HB2 ASN A 34 99.190 -21.261 16.884 1.00 0.00 H new ATOM 0 HB3 ASN A 34 98.125 -20.062 16.178 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.353 -21.063 12.730 1.00 0.00 H new ATOM 0 HD22 ASN A 34 99.377 -19.568 13.671 1.00 0.00 H new ATOM 499 N SER A 35 100.644 -19.158 18.550 1.00 0.00 N ATOM 500 CA SER A 35 100.358 -18.542 19.849 1.00 0.00 C ATOM 501 C SER A 35 101.353 -17.450 20.262 1.00 0.00 C ATOM 502 O SER A 35 100.983 -16.567 21.038 1.00 0.00 O ATOM 503 CB SER A 35 100.341 -19.626 20.927 1.00 0.00 C ATOM 504 OG SER A 35 99.651 -20.765 20.431 1.00 0.00 O ATOM 0 H SER A 35 101.307 -19.933 18.574 1.00 0.00 H new ATOM 0 HA SER A 35 99.388 -18.056 19.746 1.00 0.00 H new ATOM 0 HB2 SER A 35 101.360 -19.895 21.205 1.00 0.00 H new ATOM 0 HB3 SER A 35 99.853 -19.253 21.827 1.00 0.00 H new ATOM 0 HG SER A 35 99.638 -21.464 21.117 1.00 0.00 H new ATOM 510 N PRO A 36 102.580 -17.461 19.796 1.00 0.00 N ATOM 511 CA PRO A 36 103.461 -16.263 19.880 1.00 0.00 C ATOM 512 C PRO A 36 103.567 -15.537 18.537 1.00 0.00 C ATOM 513 O PRO A 36 103.732 -16.163 17.490 1.00 0.00 O ATOM 514 CB PRO A 36 104.816 -16.844 20.316 1.00 0.00 C ATOM 515 CG PRO A 36 104.707 -18.334 20.192 1.00 0.00 C ATOM 516 CD PRO A 36 103.399 -18.630 19.461 1.00 0.00 C ATOM 0 HA PRO A 36 103.080 -15.511 20.571 1.00 0.00 H new ATOM 0 HB2 PRO A 36 105.621 -16.461 19.688 1.00 0.00 H new ATOM 0 HB3 PRO A 36 105.048 -16.557 21.342 1.00 0.00 H new ATOM 0 HG2 PRO A 36 105.556 -18.738 19.641 1.00 0.00 H new ATOM 0 HG3 PRO A 36 104.713 -18.804 21.176 1.00 0.00 H new ATOM 0 HD2 PRO A 36 103.548 -18.727 18.386 1.00 0.00 H new ATOM 0 HD3 PRO A 36 102.942 -19.558 19.805 1.00 0.00 H new ATOM 524 N LEU A 37 103.454 -14.212 18.580 1.00 0.00 N ATOM 525 CA LEU A 37 103.502 -13.400 17.366 1.00 0.00 C ATOM 526 C LEU A 37 104.938 -13.221 16.878 1.00 0.00 C ATOM 527 O LEU A 37 105.884 -13.316 17.658 1.00 0.00 O ATOM 528 CB LEU A 37 102.882 -12.025 17.632 1.00 0.00 C ATOM 529 CG LEU A 37 101.445 -12.183 18.142 1.00 0.00 C ATOM 530 CD1 LEU A 37 100.875 -10.808 18.491 1.00 0.00 C ATOM 531 CD2 LEU A 37 100.580 -12.823 17.054 1.00 0.00 C ATOM 0 H LEU A 37 103.329 -13.678 19.440 1.00 0.00 H new ATOM 0 HA LEU A 37 102.935 -13.918 16.593 1.00 0.00 H new ATOM 0 HB2 LEU A 37 103.479 -11.484 18.366 1.00 0.00 H new ATOM 0 HB3 LEU A 37 102.888 -11.432 16.717 1.00 0.00 H new ATOM 0 HG LEU A 37 101.446 -12.818 19.028 1.00 0.00 H new ATOM 0 HD11 LEU A 37 99.853 -10.919 18.854 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.487 -10.346 19.266 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.878 -10.177 17.602 1.00 0.00 H new ATOM 0 HD21 LEU A 37 99.559 -12.934 17.419 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.581 -12.188 16.168 1.00 0.00 H new ATOM 0 HD23 LEU A 37 100.983 -13.803 16.799 1.00 0.00 H new ATOM 543 N GLY A 38 105.088 -12.953 15.583 1.00 0.00 N ATOM 544 CA GLY A 38 106.411 -12.747 14.998 1.00 0.00 C ATOM 545 C GLY A 38 106.768 -11.267 15.021 1.00 0.00 C ATOM 546 O GLY A 38 105.913 -10.424 14.758 1.00 0.00 O ATOM 0 H GLY A 38 104.315 -12.874 14.922 1.00 0.00 H new ATOM 0 HA2 GLY A 38 107.156 -13.317 15.553 1.00 0.00 H new ATOM 0 HA3 GLY A 38 106.426 -13.117 13.973 1.00 0.00 H new ATOM 550 N VAL A 39 108.024 -10.943 15.319 1.00 0.00 N ATOM 551 CA VAL A 39 108.419 -9.544 15.469 1.00 0.00 C ATOM 552 C VAL A 39 109.160 -9.078 14.221 1.00 0.00 C ATOM 553 O VAL A 39 110.126 -9.713 13.794 1.00 0.00 O ATOM 554 CB VAL A 39 109.322 -9.376 16.700 1.00 0.00 C ATOM 555 CG1 VAL A 39 109.652 -7.894 16.905 1.00 0.00 C ATOM 556 CG2 VAL A 39 108.603 -9.901 17.946 1.00 0.00 C ATOM 0 H VAL A 39 108.776 -11.618 15.460 1.00 0.00 H new ATOM 0 HA VAL A 39 107.522 -8.939 15.603 1.00 0.00 H new ATOM 0 HB VAL A 39 110.242 -9.939 16.541 1.00 0.00 H new ATOM 0 HG11 VAL A 39 110.293 -7.782 17.780 1.00 0.00 H new ATOM 0 HG12 VAL A 39 110.169 -7.511 16.025 1.00 0.00 H new ATOM 0 HG13 VAL A 39 108.730 -7.333 17.056 1.00 0.00 H new ATOM 0 HG21 VAL A 39 109.248 -9.780 18.816 1.00 0.00 H new ATOM 0 HG22 VAL A 39 107.680 -9.341 18.097 1.00 0.00 H new ATOM 0 HG23 VAL A 39 108.368 -10.957 17.813 1.00 0.00 H new ATOM 566 N ILE A 40 108.712 -7.967 13.635 1.00 0.00 N ATOM 567 CA ILE A 40 109.370 -7.419 12.453 1.00 0.00 C ATOM 568 C ILE A 40 109.767 -5.972 12.712 1.00 0.00 C ATOM 569 O ILE A 40 108.997 -5.206 13.291 1.00 0.00 O ATOM 570 CB ILE A 40 108.438 -7.516 11.236 1.00 0.00 C ATOM 571 CG1 ILE A 40 109.135 -6.963 9.987 1.00 0.00 C ATOM 572 CG2 ILE A 40 107.156 -6.721 11.486 1.00 0.00 C ATOM 573 CD1 ILE A 40 108.328 -7.337 8.742 1.00 0.00 C ATOM 0 H ILE A 40 107.904 -7.435 13.957 1.00 0.00 H new ATOM 0 HA ILE A 40 110.270 -7.997 12.241 1.00 0.00 H new ATOM 0 HB ILE A 40 108.190 -8.566 11.079 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.229 -5.880 10.060 1.00 0.00 H new ATOM 0 HG13 ILE A 40 110.145 -7.366 9.913 1.00 0.00 H new ATOM 0 HG21 ILE A 40 106.504 -6.798 10.616 1.00 0.00 H new ATOM 0 HG22 ILE A 40 106.643 -7.123 12.360 1.00 0.00 H new ATOM 0 HG23 ILE A 40 107.405 -5.674 11.661 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.824 -6.943 7.855 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.257 -8.422 8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 40 107.327 -6.912 8.816 1.00 0.00 H new ATOM 585 N GLY A 41 110.987 -5.630 12.310 1.00 0.00 N ATOM 586 CA GLY A 41 111.469 -4.256 12.401 1.00 0.00 C ATOM 587 C GLY A 41 112.090 -3.845 11.075 1.00 0.00 C ATOM 588 O GLY A 41 112.858 -4.606 10.488 1.00 0.00 O ATOM 0 H GLY A 41 111.661 -6.287 11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 41 110.646 -3.587 12.652 1.00 0.00 H new ATOM 0 HA3 GLY A 41 112.204 -4.170 13.201 1.00 0.00 H new ATOM 592 N SER A 42 111.753 -2.650 10.599 1.00 0.00 N ATOM 593 CA SER A 42 112.207 -2.202 9.285 1.00 0.00 C ATOM 594 C SER A 42 112.840 -0.820 9.363 1.00 0.00 C ATOM 595 O SER A 42 112.340 0.059 10.063 1.00 0.00 O ATOM 596 CB SER A 42 111.019 -2.151 8.324 1.00 0.00 C ATOM 597 OG SER A 42 111.484 -1.805 7.025 1.00 0.00 O ATOM 0 H SER A 42 111.171 -1.978 11.099 1.00 0.00 H new ATOM 0 HA SER A 42 112.955 -2.909 8.926 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.515 -3.117 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.288 -1.420 8.669 1.00 0.00 H new ATOM 0 HG SER A 42 112.073 -2.513 6.689 1.00 0.00 H new ATOM 603 N PHE A 43 113.938 -0.642 8.632 1.00 0.00 N ATOM 604 CA PHE A 43 114.587 0.660 8.528 1.00 0.00 C ATOM 605 C PHE A 43 114.538 1.122 7.076 1.00 0.00 C ATOM 606 O PHE A 43 114.858 0.348 6.173 1.00 0.00 O ATOM 607 CB PHE A 43 116.041 0.561 8.990 1.00 0.00 C ATOM 608 CG PHE A 43 116.186 0.146 10.435 1.00 0.00 C ATOM 609 CD1 PHE A 43 116.139 1.111 11.449 1.00 0.00 C ATOM 610 CD2 PHE A 43 116.368 -1.203 10.762 1.00 0.00 C ATOM 611 CE1 PHE A 43 116.273 0.726 12.788 1.00 0.00 C ATOM 612 CE2 PHE A 43 116.501 -1.587 12.101 1.00 0.00 C ATOM 613 CZ PHE A 43 116.455 -0.623 13.114 1.00 0.00 C ATOM 0 H PHE A 43 114.396 -1.384 8.103 1.00 0.00 H new ATOM 0 HA PHE A 43 114.067 1.378 9.163 1.00 0.00 H new ATOM 0 HB2 PHE A 43 116.566 -0.156 8.360 1.00 0.00 H new ATOM 0 HB3 PHE A 43 116.526 1.527 8.847 1.00 0.00 H new ATOM 0 HD1 PHE A 43 115.999 2.152 11.198 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.406 -1.948 9.981 1.00 0.00 H new ATOM 0 HE1 PHE A 43 116.236 1.470 13.570 1.00 0.00 H new ATOM 0 HE2 PHE A 43 116.639 -2.628 12.353 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.560 -0.920 14.147 1.00 0.00 H new ATOM 623 N THR A 44 114.118 2.364 6.853 1.00 0.00 N ATOM 624 CA THR A 44 113.988 2.883 5.493 1.00 0.00 C ATOM 625 C THR A 44 114.723 4.209 5.339 1.00 0.00 C ATOM 626 O THR A 44 114.653 5.072 6.214 1.00 0.00 O ATOM 627 CB THR A 44 112.507 3.080 5.156 1.00 0.00 C ATOM 628 OG1 THR A 44 111.804 1.869 5.402 1.00 0.00 O ATOM 629 CG2 THR A 44 112.361 3.463 3.682 1.00 0.00 C ATOM 0 H THR A 44 113.864 3.025 7.587 1.00 0.00 H new ATOM 0 HA THR A 44 114.432 2.160 4.809 1.00 0.00 H new ATOM 0 HB THR A 44 112.096 3.876 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 44 110.855 1.992 5.189 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.306 3.602 3.445 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.901 4.390 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 44 112.771 2.669 3.058 1.00 0.00 H new ATOM 637 N TYR A 45 115.433 4.346 4.222 1.00 0.00 N ATOM 638 CA TYR A 45 116.104 5.599 3.882 1.00 0.00 C ATOM 639 C TYR A 45 115.649 6.055 2.500 1.00 0.00 C ATOM 640 O TYR A 45 115.580 5.244 1.582 1.00 0.00 O ATOM 641 CB TYR A 45 117.621 5.391 3.870 1.00 0.00 C ATOM 642 CG TYR A 45 118.168 4.849 5.170 1.00 0.00 C ATOM 643 CD1 TYR A 45 118.552 5.729 6.190 1.00 0.00 C ATOM 644 CD2 TYR A 45 118.292 3.467 5.354 1.00 0.00 C ATOM 645 CE1 TYR A 45 119.063 5.225 7.393 1.00 0.00 C ATOM 646 CE2 TYR A 45 118.801 2.964 6.557 1.00 0.00 C ATOM 647 CZ TYR A 45 119.187 3.844 7.577 1.00 0.00 C ATOM 648 OH TYR A 45 119.689 3.348 8.763 1.00 0.00 O ATOM 0 H TYR A 45 115.559 3.603 3.535 1.00 0.00 H new ATOM 0 HA TYR A 45 115.850 6.355 4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 45 117.879 4.705 3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 45 118.108 6.341 3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 45 118.454 6.795 6.049 1.00 0.00 H new ATOM 0 HD2 TYR A 45 117.995 2.789 4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 45 119.361 5.903 8.179 1.00 0.00 H new ATOM 0 HE2 TYR A 45 118.896 1.898 6.699 1.00 0.00 H new ATOM 0 HH TYR A 45 119.707 2.369 8.726 1.00 0.00 H new ATOM 658 N THR A 46 115.356 7.346 2.345 1.00 0.00 N ATOM 659 CA THR A 46 114.837 7.861 1.075 1.00 0.00 C ATOM 660 C THR A 46 115.850 8.783 0.403 1.00 0.00 C ATOM 661 O THR A 46 116.601 9.491 1.073 1.00 0.00 O ATOM 662 CB THR A 46 113.536 8.632 1.309 1.00 0.00 C ATOM 663 OG1 THR A 46 112.661 7.849 2.109 1.00 0.00 O ATOM 664 CG2 THR A 46 112.869 8.927 -0.036 1.00 0.00 C ATOM 0 H THR A 46 115.467 8.050 3.075 1.00 0.00 H new ATOM 0 HA THR A 46 114.648 7.009 0.423 1.00 0.00 H new ATOM 0 HB THR A 46 113.755 9.570 1.819 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.422 8.349 2.917 1.00 0.00 H new ATOM 0 HG21 THR A 46 111.942 9.476 0.130 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.540 9.526 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 46 112.649 7.989 -0.546 1.00 0.00 H new ATOM 672 N GLU A 47 115.859 8.769 -0.928 1.00 0.00 N ATOM 673 CA GLU A 47 116.801 9.582 -1.687 1.00 0.00 C ATOM 674 C GLU A 47 116.109 10.215 -2.889 1.00 0.00 C ATOM 675 O GLU A 47 115.195 9.628 -3.469 1.00 0.00 O ATOM 676 CB GLU A 47 117.968 8.712 -2.162 1.00 0.00 C ATOM 677 CG GLU A 47 119.052 9.596 -2.792 1.00 0.00 C ATOM 678 CD GLU A 47 120.208 8.768 -3.364 1.00 0.00 C ATOM 679 OE1 GLU A 47 120.158 7.547 -3.302 1.00 0.00 O ATOM 680 OE2 GLU A 47 121.141 9.376 -3.863 1.00 0.00 O ATOM 0 H GLU A 47 115.228 8.207 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 47 117.178 10.375 -1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 47 118.383 8.154 -1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 47 117.616 7.980 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 47 118.611 10.200 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 47 119.437 10.287 -2.042 1.00 0.00 H new ATOM 687 N LYS A 48 116.543 11.422 -3.243 1.00 0.00 N ATOM 688 CA LYS A 48 116.010 12.116 -4.413 1.00 0.00 C ATOM 689 C LYS A 48 117.165 12.604 -5.283 1.00 0.00 C ATOM 690 O LYS A 48 118.155 13.127 -4.774 1.00 0.00 O ATOM 691 CB LYS A 48 115.157 13.301 -3.959 1.00 0.00 C ATOM 692 CG LYS A 48 114.441 13.918 -5.160 1.00 0.00 C ATOM 693 CD LYS A 48 113.650 15.143 -4.700 1.00 0.00 C ATOM 694 CE LYS A 48 112.788 15.663 -5.852 1.00 0.00 C ATOM 695 NZ LYS A 48 112.178 16.966 -5.468 1.00 0.00 N ATOM 0 H LYS A 48 117.262 11.940 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 48 115.389 11.434 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 48 114.427 12.972 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.786 14.049 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 48 115.165 14.204 -5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 48 113.771 13.187 -5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 48 113.019 14.882 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 48 114.333 15.923 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 48 113.396 15.784 -6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 48 112.008 14.941 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 111.661 17.360 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 111.520 16.821 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 112.926 17.628 -5.179 1.00 0.00 H new ATOM 709 N SER A 49 117.038 12.432 -6.599 1.00 0.00 N ATOM 710 CA SER A 49 118.131 12.760 -7.518 1.00 0.00 C ATOM 711 C SER A 49 117.743 13.841 -8.528 1.00 0.00 C ATOM 712 O SER A 49 118.606 14.566 -9.020 1.00 0.00 O ATOM 713 CB SER A 49 118.555 11.500 -8.271 1.00 0.00 C ATOM 714 OG SER A 49 117.592 11.210 -9.277 1.00 0.00 O ATOM 0 H SER A 49 116.198 12.071 -7.051 1.00 0.00 H new ATOM 0 HA SER A 49 118.954 13.149 -6.919 1.00 0.00 H new ATOM 0 HB2 SER A 49 119.537 11.644 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 49 118.641 10.661 -7.581 1.00 0.00 H new ATOM 0 HG SER A 49 117.861 10.403 -9.764 1.00 0.00 H new ATOM 720 N ARG A 50 116.454 13.955 -8.841 1.00 0.00 N ATOM 721 CA ARG A 50 116.005 14.891 -9.871 1.00 0.00 C ATOM 722 C ARG A 50 114.939 15.834 -9.326 1.00 0.00 C ATOM 723 O ARG A 50 113.846 15.407 -8.955 1.00 0.00 O ATOM 724 CB ARG A 50 115.434 14.109 -11.055 1.00 0.00 C ATOM 725 CG ARG A 50 115.107 15.068 -12.201 1.00 0.00 C ATOM 726 CD ARG A 50 114.479 14.284 -13.355 1.00 0.00 C ATOM 727 NE ARG A 50 114.266 15.160 -14.511 1.00 0.00 N ATOM 728 CZ ARG A 50 113.730 14.741 -15.668 1.00 0.00 C ATOM 729 NH1 ARG A 50 113.354 13.499 -15.855 1.00 0.00 N ATOM 730 NH2 ARG A 50 113.578 15.601 -16.640 1.00 0.00 N ATOM 0 H ARG A 50 115.708 13.417 -8.401 1.00 0.00 H new ATOM 0 HA ARG A 50 116.860 15.486 -10.192 1.00 0.00 H new ATOM 0 HB2 ARG A 50 116.153 13.361 -11.389 1.00 0.00 H new ATOM 0 HB3 ARG A 50 114.535 13.573 -10.749 1.00 0.00 H new ATOM 0 HG2 ARG A 50 114.422 15.843 -11.857 1.00 0.00 H new ATOM 0 HG3 ARG A 50 116.013 15.571 -12.539 1.00 0.00 H new ATOM 0 HD2 ARG A 50 115.127 13.454 -13.634 1.00 0.00 H new ATOM 0 HD3 ARG A 50 113.529 13.854 -13.037 1.00 0.00 H new ATOM 0 HE ARG A 50 114.540 16.139 -14.432 1.00 0.00 H new ATOM 0 HH11 ARG A 50 113.465 12.814 -15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 50 112.950 13.217 -16.748 1.00 0.00 H new ATOM 0 HH21 ARG A 50 113.865 16.571 -16.512 1.00 0.00 H new ATOM 0 HH22 ARG A 50 113.173 15.302 -17.527 1.00 0.00 H new ATOM 744 N THR A 51 115.264 17.124 -9.294 1.00 0.00 N ATOM 745 CA THR A 51 114.319 18.140 -8.841 1.00 0.00 C ATOM 746 C THR A 51 114.287 19.305 -9.825 1.00 0.00 C ATOM 747 O THR A 51 115.320 19.696 -10.368 1.00 0.00 O ATOM 748 CB THR A 51 114.722 18.653 -7.456 1.00 0.00 C ATOM 749 OG1 THR A 51 114.879 17.551 -6.574 1.00 0.00 O ATOM 750 CG2 THR A 51 113.639 19.590 -6.917 1.00 0.00 C ATOM 0 H THR A 51 116.173 17.490 -9.576 1.00 0.00 H new ATOM 0 HA THR A 51 113.327 17.691 -8.784 1.00 0.00 H new ATOM 0 HB THR A 51 115.663 19.198 -7.531 1.00 0.00 H new ATOM 0 HG1 THR A 51 115.806 17.234 -6.608 1.00 0.00 H new ATOM 0 HG21 THR A 51 113.930 19.953 -5.931 1.00 0.00 H new ATOM 0 HG22 THR A 51 113.519 20.436 -7.594 1.00 0.00 H new ATOM 0 HG23 THR A 51 112.695 19.050 -6.841 1.00 0.00 H new ATOM 758 N ALA A 52 113.099 19.859 -10.053 1.00 0.00 N ATOM 759 CA ALA A 52 112.962 20.988 -10.965 1.00 0.00 C ATOM 760 C ALA A 52 113.305 22.292 -10.252 1.00 0.00 C ATOM 761 O ALA A 52 112.451 22.903 -9.608 1.00 0.00 O ATOM 762 CB ALA A 52 111.531 21.058 -11.500 1.00 0.00 C ATOM 0 H ALA A 52 112.227 19.548 -9.624 1.00 0.00 H new ATOM 0 HA ALA A 52 113.652 20.847 -11.797 1.00 0.00 H new ATOM 0 HB1 ALA A 52 111.438 21.904 -12.180 1.00 0.00 H new ATOM 0 HB2 ALA A 52 111.296 20.137 -12.033 1.00 0.00 H new ATOM 0 HB3 ALA A 52 110.837 21.183 -10.669 1.00 0.00 H new ATOM 768 N SER A 53 114.561 22.713 -10.369 1.00 0.00 N ATOM 769 CA SER A 53 115.010 23.943 -9.730 1.00 0.00 C ATOM 770 C SER A 53 116.278 24.461 -10.402 1.00 0.00 C ATOM 771 O SER A 53 116.852 23.795 -11.262 1.00 0.00 O ATOM 772 CB SER A 53 115.282 23.691 -8.246 1.00 0.00 C ATOM 773 OG SER A 53 116.449 22.890 -8.114 1.00 0.00 O ATOM 0 H SER A 53 115.282 22.222 -10.898 1.00 0.00 H new ATOM 0 HA SER A 53 114.225 24.693 -9.832 1.00 0.00 H new ATOM 0 HB2 SER A 53 115.415 24.638 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 53 114.429 23.190 -7.788 1.00 0.00 H new ATOM 0 HG SER A 53 116.720 22.859 -7.173 1.00 0.00 H new ATOM 779 N SER A 54 116.709 25.654 -10.003 1.00 0.00 N ATOM 780 CA SER A 54 117.930 26.235 -10.553 1.00 0.00 C ATOM 781 C SER A 54 119.131 25.326 -10.299 1.00 0.00 C ATOM 782 O SER A 54 120.022 25.211 -11.142 1.00 0.00 O ATOM 783 CB SER A 54 118.184 27.604 -9.925 1.00 0.00 C ATOM 784 OG SER A 54 117.039 28.425 -10.114 1.00 0.00 O ATOM 0 H SER A 54 116.237 26.232 -9.308 1.00 0.00 H new ATOM 0 HA SER A 54 117.799 26.344 -11.630 1.00 0.00 H new ATOM 0 HB2 SER A 54 118.397 27.496 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 54 119.059 28.069 -10.379 1.00 0.00 H new ATOM 0 HG SER A 54 117.197 29.304 -9.711 1.00 0.00 H new ATOM 790 N GLY A 55 119.155 24.681 -9.134 1.00 0.00 N ATOM 791 CA GLY A 55 120.240 23.764 -8.798 1.00 0.00 C ATOM 792 C GLY A 55 120.174 22.481 -9.627 1.00 0.00 C ATOM 793 O GLY A 55 121.213 21.912 -9.962 1.00 0.00 O ATOM 0 H GLY A 55 118.441 24.776 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 55 121.198 24.257 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 55 120.191 23.515 -7.738 1.00 0.00 H new ATOM 797 N ASP A 56 118.950 22.040 -9.940 1.00 0.00 N ATOM 798 CA ASP A 56 118.686 20.831 -10.735 1.00 0.00 C ATOM 799 C ASP A 56 118.789 19.560 -9.893 1.00 0.00 C ATOM 800 O ASP A 56 117.983 18.644 -10.058 1.00 0.00 O ATOM 801 CB ASP A 56 119.618 20.723 -11.952 1.00 0.00 C ATOM 802 CG ASP A 56 119.087 19.684 -12.934 1.00 0.00 C ATOM 803 OD1 ASP A 56 117.878 19.532 -13.022 1.00 0.00 O ATOM 804 OD2 ASP A 56 119.899 19.051 -13.589 1.00 0.00 O ATOM 0 H ASP A 56 118.100 22.520 -9.644 1.00 0.00 H new ATOM 0 HA ASP A 56 117.662 20.927 -11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 56 119.698 21.692 -12.445 1.00 0.00 H new ATOM 0 HB3 ASP A 56 120.621 20.447 -11.627 1.00 0.00 H new ATOM 809 N TYR A 57 119.769 19.491 -8.996 1.00 0.00 N ATOM 810 CA TYR A 57 119.936 18.318 -8.141 1.00 0.00 C ATOM 811 C TYR A 57 119.754 18.692 -6.673 1.00 0.00 C ATOM 812 O TYR A 57 120.397 19.614 -6.174 1.00 0.00 O ATOM 813 CB TYR A 57 121.333 17.725 -8.343 1.00 0.00 C ATOM 814 CG TYR A 57 121.571 16.463 -7.549 1.00 0.00 C ATOM 815 CD1 TYR A 57 121.189 15.222 -8.074 1.00 0.00 C ATOM 816 CD2 TYR A 57 122.175 16.534 -6.288 1.00 0.00 C ATOM 817 CE1 TYR A 57 121.411 14.053 -7.337 1.00 0.00 C ATOM 818 CE2 TYR A 57 122.397 15.363 -5.551 1.00 0.00 C ATOM 819 CZ TYR A 57 122.015 14.124 -6.076 1.00 0.00 C ATOM 820 OH TYR A 57 122.235 12.971 -5.349 1.00 0.00 O ATOM 0 H TYR A 57 120.456 20.229 -8.842 1.00 0.00 H new ATOM 0 HA TYR A 57 119.180 17.582 -8.414 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.479 17.512 -9.402 1.00 0.00 H new ATOM 0 HB3 TYR A 57 122.079 18.468 -8.062 1.00 0.00 H new ATOM 0 HD1 TYR A 57 120.723 15.167 -9.047 1.00 0.00 H new ATOM 0 HD2 TYR A 57 122.470 17.491 -5.883 1.00 0.00 H new ATOM 0 HE1 TYR A 57 121.116 13.096 -7.741 1.00 0.00 H new ATOM 0 HE2 TYR A 57 122.863 15.417 -4.578 1.00 0.00 H new ATOM 0 HH TYR A 57 122.663 13.198 -4.497 1.00 0.00 H new ATOM 830 N ASN A 58 118.873 17.968 -5.988 1.00 0.00 N ATOM 831 CA ASN A 58 118.633 18.205 -4.566 1.00 0.00 C ATOM 832 C ASN A 58 118.700 16.891 -3.793 1.00 0.00 C ATOM 833 O ASN A 58 118.495 15.818 -4.359 1.00 0.00 O ATOM 834 CB ASN A 58 117.262 18.854 -4.365 1.00 0.00 C ATOM 835 CG ASN A 58 117.232 20.248 -4.988 1.00 0.00 C ATOM 836 OD1 ASN A 58 118.278 20.840 -5.263 1.00 0.00 O ATOM 837 ND2 ASN A 58 116.082 20.819 -5.225 1.00 0.00 N ATOM 0 H ASN A 58 118.315 17.215 -6.392 1.00 0.00 H new ATOM 0 HA ASN A 58 119.405 18.877 -4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 58 116.489 18.231 -4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 58 117.037 18.920 -3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 58 116.051 21.752 -5.636 1.00 0.00 H new ATOM 0 HD22 ASN A 58 115.215 20.332 -4.999 1.00 0.00 H new ATOM 844 N LYS A 59 118.985 16.983 -2.496 1.00 0.00 N ATOM 845 CA LYS A 59 119.103 15.791 -1.662 1.00 0.00 C ATOM 846 C LYS A 59 118.329 15.963 -0.359 1.00 0.00 C ATOM 847 O LYS A 59 118.551 16.916 0.390 1.00 0.00 O ATOM 848 CB LYS A 59 120.579 15.524 -1.350 1.00 0.00 C ATOM 849 CG LYS A 59 120.719 14.203 -0.592 1.00 0.00 C ATOM 850 CD LYS A 59 122.200 13.893 -0.371 1.00 0.00 C ATOM 851 CE LYS A 59 122.793 14.909 0.609 1.00 0.00 C ATOM 852 NZ LYS A 59 124.106 14.413 1.105 1.00 0.00 N ATOM 0 H LYS A 59 119.137 17.863 -2.004 1.00 0.00 H new ATOM 0 HA LYS A 59 118.683 14.945 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 59 121.154 15.485 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 59 120.987 16.340 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 59 120.203 14.265 0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 59 120.248 13.397 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 59 122.317 12.883 0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 59 122.736 13.931 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 59 122.919 15.874 0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 59 122.111 15.064 1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 124.509 15.103 1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 123.973 13.502 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 124.755 14.287 0.302 1.00 0.00 H new ATOM 866 N ASN A 60 117.417 15.030 -0.097 1.00 0.00 N ATOM 867 CA ASN A 60 116.661 15.021 1.153 1.00 0.00 C ATOM 868 C ASN A 60 117.001 13.765 1.947 1.00 0.00 C ATOM 869 O ASN A 60 117.226 12.702 1.368 1.00 0.00 O ATOM 870 CB ASN A 60 115.160 15.054 0.857 1.00 0.00 C ATOM 871 CG ASN A 60 114.809 16.310 0.068 1.00 0.00 C ATOM 872 OD1 ASN A 60 114.084 16.238 -0.923 1.00 0.00 O ATOM 873 ND2 ASN A 60 115.284 17.465 0.450 1.00 0.00 N ATOM 0 H ASN A 60 117.183 14.269 -0.735 1.00 0.00 H new ATOM 0 HA ASN A 60 116.927 15.902 1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 60 114.874 14.168 0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 60 114.597 15.032 1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 60 115.054 18.309 -0.074 1.00 0.00 H new ATOM 0 HD22 ASN A 60 115.885 17.523 1.272 1.00 0.00 H new ATOM 880 N GLN A 61 117.036 13.882 3.273 1.00 0.00 N ATOM 881 CA GLN A 61 117.397 12.745 4.118 1.00 0.00 C ATOM 882 C GLN A 61 116.169 12.243 4.864 1.00 0.00 C ATOM 883 O GLN A 61 115.494 13.019 5.534 1.00 0.00 O ATOM 884 CB GLN A 61 118.470 13.163 5.122 1.00 0.00 C ATOM 885 CG GLN A 61 118.945 11.938 5.909 1.00 0.00 C ATOM 886 CD GLN A 61 120.061 12.310 6.886 1.00 0.00 C ATOM 887 OE1 GLN A 61 120.571 13.431 6.868 1.00 0.00 O ATOM 888 NE2 GLN A 61 120.474 11.423 7.748 1.00 0.00 N ATOM 0 H GLN A 61 116.822 14.740 3.781 1.00 0.00 H new ATOM 0 HA GLN A 61 117.786 11.946 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 61 119.311 13.621 4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 61 118.071 13.913 5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 61 118.107 11.506 6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 61 119.302 11.174 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 61 120.053 10.494 7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 61 121.218 11.658 8.405 1.00 0.00 H new ATOM 897 N TYR A 62 115.876 10.951 4.739 1.00 0.00 N ATOM 898 CA TYR A 62 114.725 10.366 5.425 1.00 0.00 C ATOM 899 C TYR A 62 115.156 9.168 6.261 1.00 0.00 C ATOM 900 O TYR A 62 115.936 8.329 5.810 1.00 0.00 O ATOM 901 CB TYR A 62 113.681 9.916 4.406 1.00 0.00 C ATOM 902 CG TYR A 62 112.390 9.445 5.036 1.00 0.00 C ATOM 903 CD1 TYR A 62 112.230 8.097 5.379 1.00 0.00 C ATOM 904 CD2 TYR A 62 111.357 10.357 5.279 1.00 0.00 C ATOM 905 CE1 TYR A 62 111.035 7.661 5.964 1.00 0.00 C ATOM 906 CE2 TYR A 62 110.162 9.921 5.865 1.00 0.00 C ATOM 907 CZ TYR A 62 110.001 8.573 6.207 1.00 0.00 C ATOM 908 OH TYR A 62 108.823 8.143 6.785 1.00 0.00 O ATOM 0 H TYR A 62 116.414 10.293 4.174 1.00 0.00 H new ATOM 0 HA TYR A 62 114.295 11.124 6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 62 113.466 10.742 3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 62 114.097 9.109 3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 62 113.028 7.394 5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 62 111.481 11.397 5.015 1.00 0.00 H new ATOM 0 HE1 TYR A 62 110.911 6.621 6.228 1.00 0.00 H new ATOM 0 HE2 TYR A 62 109.365 10.625 6.053 1.00 0.00 H new ATOM 0 HH TYR A 62 108.211 8.902 6.885 1.00 0.00 H new ATOM 918 N TYR A 63 114.641 9.099 7.482 1.00 0.00 N ATOM 919 CA TYR A 63 114.943 7.985 8.370 1.00 0.00 C ATOM 920 C TYR A 63 113.667 7.536 9.068 1.00 0.00 C ATOM 921 O TYR A 63 113.046 8.321 9.784 1.00 0.00 O ATOM 922 CB TYR A 63 115.981 8.431 9.403 1.00 0.00 C ATOM 923 CG TYR A 63 116.408 7.338 10.352 1.00 0.00 C ATOM 924 CD1 TYR A 63 115.717 7.143 11.552 1.00 0.00 C ATOM 925 CD2 TYR A 63 117.500 6.523 10.034 1.00 0.00 C ATOM 926 CE1 TYR A 63 116.117 6.134 12.436 1.00 0.00 C ATOM 927 CE2 TYR A 63 117.901 5.511 10.914 1.00 0.00 C ATOM 928 CZ TYR A 63 117.209 5.317 12.116 1.00 0.00 C ATOM 929 OH TYR A 63 117.604 4.321 12.988 1.00 0.00 O ATOM 0 H TYR A 63 114.014 9.799 7.879 1.00 0.00 H new ATOM 0 HA TYR A 63 115.346 7.150 7.796 1.00 0.00 H new ATOM 0 HB2 TYR A 63 116.860 8.809 8.881 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.572 9.260 9.980 1.00 0.00 H new ATOM 0 HD1 TYR A 63 114.874 7.772 11.797 1.00 0.00 H new ATOM 0 HD2 TYR A 63 118.034 6.675 9.108 1.00 0.00 H new ATOM 0 HE1 TYR A 63 115.584 5.986 13.364 1.00 0.00 H new ATOM 0 HE2 TYR A 63 118.743 4.881 10.666 1.00 0.00 H new ATOM 0 HH TYR A 63 118.376 3.846 12.615 1.00 0.00 H new ATOM 939 N GLY A 64 113.255 6.293 8.835 1.00 0.00 N ATOM 940 CA GLY A 64 112.021 5.787 9.437 1.00 0.00 C ATOM 941 C GLY A 64 112.224 4.417 10.067 1.00 0.00 C ATOM 942 O GLY A 64 112.897 3.559 9.494 1.00 0.00 O ATOM 0 H GLY A 64 113.748 5.624 8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 64 111.672 6.488 10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.243 5.726 8.676 1.00 0.00 H new ATOM 946 N ILE A 65 111.636 4.224 11.246 1.00 0.00 N ATOM 947 CA ILE A 65 111.688 2.930 11.926 1.00 0.00 C ATOM 948 C ILE A 65 110.272 2.450 12.217 1.00 0.00 C ATOM 949 O ILE A 65 109.475 3.186 12.801 1.00 0.00 O ATOM 950 CB ILE A 65 112.472 3.045 13.241 1.00 0.00 C ATOM 951 CG1 ILE A 65 113.872 3.600 12.965 1.00 0.00 C ATOM 952 CG2 ILE A 65 112.601 1.662 13.885 1.00 0.00 C ATOM 953 CD1 ILE A 65 114.565 3.937 14.288 1.00 0.00 C ATOM 0 H ILE A 65 111.119 4.945 11.750 1.00 0.00 H new ATOM 0 HA ILE A 65 112.193 2.214 11.278 1.00 0.00 H new ATOM 0 HB ILE A 65 111.939 3.717 13.914 1.00 0.00 H new ATOM 0 HG12 ILE A 65 114.461 2.869 12.411 1.00 0.00 H new ATOM 0 HG13 ILE A 65 113.804 4.492 12.342 1.00 0.00 H new ATOM 0 HG21 ILE A 65 113.158 1.746 14.818 1.00 0.00 H new ATOM 0 HG22 ILE A 65 111.608 1.262 14.090 1.00 0.00 H new ATOM 0 HG23 ILE A 65 113.129 0.992 13.206 1.00 0.00 H new ATOM 0 HD11 ILE A 65 115.561 4.332 14.087 1.00 0.00 H new ATOM 0 HD12 ILE A 65 113.980 4.684 14.825 1.00 0.00 H new ATOM 0 HD13 ILE A 65 114.648 3.036 14.895 1.00 0.00 H new ATOM 965 N THR A 66 109.960 1.226 11.792 1.00 0.00 N ATOM 966 CA THR A 66 108.646 0.640 12.052 1.00 0.00 C ATOM 967 C THR A 66 108.798 -0.684 12.793 1.00 0.00 C ATOM 968 O THR A 66 109.803 -1.375 12.634 1.00 0.00 O ATOM 969 CB THR A 66 107.899 0.386 10.738 1.00 0.00 C ATOM 970 OG1 THR A 66 108.618 -0.565 9.968 1.00 0.00 O ATOM 971 CG2 THR A 66 107.744 1.682 9.935 1.00 0.00 C ATOM 0 H THR A 66 110.596 0.624 11.269 1.00 0.00 H new ATOM 0 HA THR A 66 108.079 1.343 12.662 1.00 0.00 H new ATOM 0 HB THR A 66 106.904 0.006 10.971 1.00 0.00 H new ATOM 0 HG1 THR A 66 108.143 -0.732 9.127 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.211 1.474 9.007 1.00 0.00 H new ATOM 0 HG22 THR A 66 107.182 2.408 10.522 1.00 0.00 H new ATOM 0 HG23 THR A 66 108.729 2.087 9.704 1.00 0.00 H new ATOM 979 N ALA A 67 107.788 -1.043 13.581 1.00 0.00 N ATOM 980 CA ALA A 67 107.772 -2.335 14.258 1.00 0.00 C ATOM 981 C ALA A 67 106.341 -2.852 14.329 1.00 0.00 C ATOM 982 O ALA A 67 105.410 -2.051 14.418 1.00 0.00 O ATOM 983 CB ALA A 67 108.343 -2.198 15.670 1.00 0.00 C ATOM 0 H ALA A 67 106.973 -0.459 13.766 1.00 0.00 H new ATOM 0 HA ALA A 67 108.387 -3.039 13.698 1.00 0.00 H new ATOM 0 HB1 ALA A 67 108.326 -3.169 16.165 1.00 0.00 H new ATOM 0 HB2 ALA A 67 109.370 -1.838 15.614 1.00 0.00 H new ATOM 0 HB3 ALA A 67 107.741 -1.490 16.239 1.00 0.00 H new ATOM 989 N GLY A 68 106.157 -4.175 14.253 1.00 0.00 N ATOM 990 CA GLY A 68 104.804 -4.724 14.273 1.00 0.00 C ATOM 991 C GLY A 68 104.770 -6.240 14.473 1.00 0.00 C ATOM 992 O GLY A 68 105.815 -6.889 14.457 1.00 0.00 O ATOM 0 H GLY A 68 106.905 -4.864 14.179 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.237 -4.246 15.072 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.305 -4.477 13.336 1.00 0.00 H new ATOM 996 N PRO A 69 103.601 -6.812 14.688 1.00 0.00 N ATOM 997 CA PRO A 69 103.440 -8.287 14.789 1.00 0.00 C ATOM 998 C PRO A 69 102.964 -8.919 13.480 1.00 0.00 C ATOM 999 O PRO A 69 101.999 -8.456 12.864 1.00 0.00 O ATOM 1000 CB PRO A 69 102.376 -8.427 15.876 1.00 0.00 C ATOM 1001 CG PRO A 69 101.522 -7.203 15.763 1.00 0.00 C ATOM 1002 CD PRO A 69 102.295 -6.172 14.933 1.00 0.00 C ATOM 0 HA PRO A 69 104.379 -8.795 15.010 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.785 -9.332 15.732 1.00 0.00 H new ATOM 0 HB3 PRO A 69 102.832 -8.497 16.864 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.571 -7.442 15.287 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.292 -6.804 16.751 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.781 -5.946 13.999 1.00 0.00 H new ATOM 0 HD3 PRO A 69 102.407 -5.231 15.471 1.00 0.00 H new ATOM 1010 N ALA A 70 103.745 -9.879 12.993 1.00 0.00 N ATOM 1011 CA ALA A 70 103.342 -10.731 11.878 1.00 0.00 C ATOM 1012 C ALA A 70 102.427 -11.857 12.356 1.00 0.00 C ATOM 1013 O ALA A 70 102.618 -12.388 13.452 1.00 0.00 O ATOM 1014 CB ALA A 70 104.578 -11.328 11.202 1.00 0.00 C ATOM 0 H ALA A 70 104.674 -10.088 13.359 1.00 0.00 H new ATOM 0 HA ALA A 70 102.795 -10.118 11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 70 104.268 -11.962 10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 70 105.212 -10.524 10.828 1.00 0.00 H new ATOM 0 HB3 ALA A 70 105.136 -11.924 11.925 1.00 0.00 H new ATOM 1020 N TYR A 71 101.467 -12.242 11.518 1.00 0.00 N ATOM 1021 CA TYR A 71 100.633 -13.410 11.788 1.00 0.00 C ATOM 1022 C TYR A 71 100.760 -14.382 10.617 1.00 0.00 C ATOM 1023 O TYR A 71 100.645 -13.976 9.461 1.00 0.00 O ATOM 1024 CB TYR A 71 99.174 -12.985 11.963 1.00 0.00 C ATOM 1025 CG TYR A 71 98.273 -14.101 12.431 1.00 0.00 C ATOM 1026 CD1 TYR A 71 98.219 -14.435 13.790 1.00 0.00 C ATOM 1027 CD2 TYR A 71 97.487 -14.801 11.508 1.00 0.00 C ATOM 1028 CE1 TYR A 71 97.383 -15.469 14.225 1.00 0.00 C ATOM 1029 CE2 TYR A 71 96.650 -15.834 11.943 1.00 0.00 C ATOM 1030 CZ TYR A 71 96.597 -16.170 13.301 1.00 0.00 C ATOM 1031 OH TYR A 71 95.771 -17.188 13.732 1.00 0.00 O ATOM 0 H TYR A 71 101.248 -11.761 10.646 1.00 0.00 H new ATOM 0 HA TYR A 71 100.962 -13.894 12.707 1.00 0.00 H new ATOM 0 HB2 TYR A 71 99.126 -12.166 12.680 1.00 0.00 H new ATOM 0 HB3 TYR A 71 98.800 -12.600 11.014 1.00 0.00 H new ATOM 0 HD1 TYR A 71 98.823 -13.894 14.503 1.00 0.00 H new ATOM 0 HD2 TYR A 71 97.527 -14.543 10.460 1.00 0.00 H new ATOM 0 HE1 TYR A 71 97.344 -15.727 15.273 1.00 0.00 H new ATOM 0 HE2 TYR A 71 96.044 -16.373 11.230 1.00 0.00 H new ATOM 0 HH TYR A 71 95.295 -17.570 12.965 1.00 0.00 H new ATOM 1041 N ARG A 72 100.979 -15.659 10.916 1.00 0.00 N ATOM 1042 CA ARG A 72 101.351 -16.615 9.878 1.00 0.00 C ATOM 1043 C ARG A 72 100.150 -17.386 9.338 1.00 0.00 C ATOM 1044 O ARG A 72 99.544 -18.192 10.046 1.00 0.00 O ATOM 1045 CB ARG A 72 102.369 -17.609 10.443 1.00 0.00 C ATOM 1046 CG ARG A 72 102.915 -18.490 9.314 1.00 0.00 C ATOM 1047 CD ARG A 72 103.821 -19.573 9.906 1.00 0.00 C ATOM 1048 NE ARG A 72 104.934 -18.959 10.634 1.00 0.00 N ATOM 1049 CZ ARG A 72 105.548 -19.544 11.673 1.00 0.00 C ATOM 1050 NH1 ARG A 72 105.215 -20.737 12.105 1.00 0.00 N ATOM 1051 NH2 ARG A 72 106.516 -18.905 12.274 1.00 0.00 N ATOM 0 H ARG A 72 100.907 -16.052 11.855 1.00 0.00 H new ATOM 0 HA ARG A 72 101.780 -16.047 9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.186 -17.072 10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 72 101.900 -18.229 11.207 1.00 0.00 H new ATOM 0 HG2 ARG A 72 102.092 -18.949 8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.473 -17.883 8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 72 103.246 -20.211 10.577 1.00 0.00 H new ATOM 0 HD3 ARG A 72 104.205 -20.211 9.110 1.00 0.00 H new ATOM 0 HE ARG A 72 105.259 -18.039 10.335 1.00 0.00 H new ATOM 0 HH11 ARG A 72 104.464 -21.254 11.647 1.00 0.00 H new ATOM 0 HH12 ARG A 72 105.707 -21.148 12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 72 106.793 -17.978 11.951 1.00 0.00 H new ATOM 0 HH22 ARG A 72 106.995 -19.333 13.066 1.00 0.00 H new ATOM 1065 N ILE A 73 99.817 -17.127 8.077 1.00 0.00 N ATOM 1066 CA ILE A 73 98.842 -17.941 7.361 1.00 0.00 C ATOM 1067 C ILE A 73 99.569 -18.991 6.528 1.00 0.00 C ATOM 1068 O ILE A 73 100.511 -18.676 5.800 1.00 0.00 O ATOM 1069 CB ILE A 73 97.963 -17.080 6.450 1.00 0.00 C ATOM 1070 CG1 ILE A 73 97.328 -15.922 7.241 1.00 0.00 C ATOM 1071 CG2 ILE A 73 96.859 -17.948 5.840 1.00 0.00 C ATOM 1072 CD1 ILE A 73 96.504 -16.428 8.437 1.00 0.00 C ATOM 0 H ILE A 73 100.208 -16.360 7.531 1.00 0.00 H new ATOM 0 HA ILE A 73 98.198 -18.428 8.094 1.00 0.00 H new ATOM 0 HB ILE A 73 98.585 -16.660 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 73 98.111 -15.253 7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 73 96.687 -15.339 6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 73 96.232 -17.336 5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 73 97.309 -18.752 5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 73 96.249 -18.374 6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.074 -15.579 8.968 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.704 -17.076 8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.150 -16.989 9.113 1.00 0.00 H new ATOM 1084 N ASN A 74 99.130 -20.239 6.634 1.00 0.00 N ATOM 1085 CA ASN A 74 99.844 -21.348 6.011 1.00 0.00 C ATOM 1086 C ASN A 74 99.915 -21.224 4.489 1.00 0.00 C ATOM 1087 O ASN A 74 100.874 -21.699 3.881 1.00 0.00 O ATOM 1088 CB ASN A 74 99.156 -22.668 6.374 1.00 0.00 C ATOM 1089 CG ASN A 74 99.166 -22.864 7.887 1.00 0.00 C ATOM 1090 OD1 ASN A 74 98.143 -23.220 8.472 1.00 0.00 O ATOM 1091 ND2 ASN A 74 100.264 -22.653 8.558 1.00 0.00 N ATOM 0 H ASN A 74 98.288 -20.508 7.142 1.00 0.00 H new ATOM 0 HA ASN A 74 100.865 -21.325 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 74 98.130 -22.666 6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 74 99.667 -23.499 5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 74 100.276 -22.783 9.570 1.00 0.00 H new ATOM 0 HD22 ASN A 74 101.110 -22.358 8.071 1.00 0.00 H new ATOM 1098 N ASP A 75 98.919 -20.593 3.866 1.00 0.00 N ATOM 1099 CA ASP A 75 98.834 -20.586 2.401 1.00 0.00 C ATOM 1100 C ASP A 75 98.915 -19.176 1.807 1.00 0.00 C ATOM 1101 O ASP A 75 97.892 -18.548 1.532 1.00 0.00 O ATOM 1102 CB ASP A 75 97.519 -21.241 1.968 1.00 0.00 C ATOM 1103 CG ASP A 75 97.465 -21.376 0.450 1.00 0.00 C ATOM 1104 OD1 ASP A 75 98.512 -21.557 -0.153 1.00 0.00 O ATOM 1105 OD2 ASP A 75 96.376 -21.298 -0.092 1.00 0.00 O ATOM 0 H ASP A 75 98.171 -20.088 4.341 1.00 0.00 H new ATOM 0 HA ASP A 75 99.691 -21.145 2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 75 97.426 -22.224 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 75 96.676 -20.644 2.316 1.00 0.00 H new ATOM 1110 N TRP A 76 100.143 -18.709 1.576 1.00 0.00 N ATOM 1111 CA TRP A 76 100.383 -17.470 0.828 1.00 0.00 C ATOM 1112 C TRP A 76 99.471 -16.321 1.266 1.00 0.00 C ATOM 1113 O TRP A 76 99.209 -15.403 0.489 1.00 0.00 O ATOM 1114 CB TRP A 76 100.165 -17.746 -0.662 1.00 0.00 C ATOM 1115 CG TRP A 76 100.676 -16.671 -1.567 1.00 0.00 C ATOM 1116 CD1 TRP A 76 101.969 -16.518 -1.935 1.00 0.00 C ATOM 1117 CD2 TRP A 76 99.933 -15.609 -2.238 1.00 0.00 C ATOM 1118 NE1 TRP A 76 102.070 -15.425 -2.776 1.00 0.00 N ATOM 1119 CE2 TRP A 76 100.843 -14.832 -2.994 1.00 0.00 C ATOM 1120 CE3 TRP A 76 98.575 -15.246 -2.259 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 100.418 -13.733 -3.747 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 98.145 -14.144 -3.013 1.00 0.00 C ATOM 1123 CH2 TRP A 76 99.062 -13.389 -3.755 1.00 0.00 C ATOM 0 H TRP A 76 100.993 -19.172 1.898 1.00 0.00 H new ATOM 0 HA TRP A 76 101.408 -17.158 1.029 1.00 0.00 H new ATOM 0 HB2 TRP A 76 100.653 -18.686 -0.921 1.00 0.00 H new ATOM 0 HB3 TRP A 76 99.099 -17.881 -0.843 1.00 0.00 H new ATOM 0 HD1 TRP A 76 102.789 -17.147 -1.623 1.00 0.00 H new ATOM 0 HE1 TRP A 76 102.945 -15.097 -3.185 1.00 0.00 H new ATOM 0 HE3 TRP A 76 97.858 -15.820 -1.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 101.130 -13.155 -4.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 97.099 -13.876 -3.021 1.00 0.00 H new ATOM 0 HH2 TRP A 76 98.723 -12.542 -4.333 1.00 0.00 H new ATOM 1134 N ALA A 77 98.994 -16.359 2.507 1.00 0.00 N ATOM 1135 CA ALA A 77 98.020 -15.374 2.985 1.00 0.00 C ATOM 1136 C ALA A 77 98.520 -14.613 4.217 1.00 0.00 C ATOM 1137 O ALA A 77 97.702 -14.070 4.963 1.00 0.00 O ATOM 1138 CB ALA A 77 96.687 -16.079 3.285 1.00 0.00 C ATOM 0 H ALA A 77 99.263 -17.057 3.200 1.00 0.00 H new ATOM 0 HA ALA A 77 97.875 -14.633 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 77 95.961 -15.348 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 77 96.312 -16.550 2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 77 96.842 -16.839 4.051 1.00 0.00 H new ATOM 1144 N SER A 78 99.836 -14.553 4.437 1.00 0.00 N ATOM 1145 CA SER A 78 100.348 -14.035 5.699 1.00 0.00 C ATOM 1146 C SER A 78 100.061 -12.544 5.779 1.00 0.00 C ATOM 1147 O SER A 78 99.916 -11.887 4.751 1.00 0.00 O ATOM 1148 CB SER A 78 101.853 -14.277 5.798 1.00 0.00 C ATOM 1149 OG SER A 78 102.112 -15.670 5.678 1.00 0.00 O ATOM 0 H SER A 78 100.549 -14.851 3.771 1.00 0.00 H new ATOM 0 HA SER A 78 99.857 -14.550 6.525 1.00 0.00 H new ATOM 0 HB2 SER A 78 102.374 -13.729 5.013 1.00 0.00 H new ATOM 0 HB3 SER A 78 102.231 -13.905 6.750 1.00 0.00 H new ATOM 0 HG SER A 78 102.552 -15.848 4.821 1.00 0.00 H new ATOM 1155 N ILE A 79 99.916 -12.025 6.995 1.00 0.00 N ATOM 1156 CA ILE A 79 99.603 -10.609 7.167 1.00 0.00 C ATOM 1157 C ILE A 79 100.388 -10.050 8.344 1.00 0.00 C ATOM 1158 O ILE A 79 100.391 -10.630 9.426 1.00 0.00 O ATOM 1159 CB ILE A 79 98.099 -10.418 7.407 1.00 0.00 C ATOM 1160 CG1 ILE A 79 97.305 -11.040 6.255 1.00 0.00 C ATOM 1161 CG2 ILE A 79 97.775 -8.922 7.487 1.00 0.00 C ATOM 1162 CD1 ILE A 79 95.806 -10.985 6.567 1.00 0.00 C ATOM 0 H ILE A 79 100.008 -12.553 7.863 1.00 0.00 H new ATOM 0 HA ILE A 79 99.882 -10.075 6.259 1.00 0.00 H new ATOM 0 HB ILE A 79 97.826 -10.905 8.343 1.00 0.00 H new ATOM 0 HG12 ILE A 79 97.512 -10.505 5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 79 97.616 -12.074 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.707 -8.790 7.657 1.00 0.00 H new ATOM 0 HG22 ILE A 79 98.332 -8.473 8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 79 98.056 -8.438 6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 79 95.246 -11.429 5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 79 95.605 -11.540 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 79 95.499 -9.947 6.696 1.00 0.00 H new ATOM 1174 N TYR A 80 101.064 -8.929 8.128 1.00 0.00 N ATOM 1175 CA TYR A 80 101.724 -8.226 9.223 1.00 0.00 C ATOM 1176 C TYR A 80 101.411 -6.738 9.141 1.00 0.00 C ATOM 1177 O TYR A 80 101.296 -6.192 8.043 1.00 0.00 O ATOM 1178 CB TYR A 80 103.239 -8.480 9.177 1.00 0.00 C ATOM 1179 CG TYR A 80 103.981 -7.750 8.077 1.00 0.00 C ATOM 1180 CD1 TYR A 80 104.504 -6.473 8.318 1.00 0.00 C ATOM 1181 CD2 TYR A 80 104.146 -8.351 6.824 1.00 0.00 C ATOM 1182 CE1 TYR A 80 105.197 -5.798 7.305 1.00 0.00 C ATOM 1183 CE2 TYR A 80 104.837 -7.674 5.811 1.00 0.00 C ATOM 1184 CZ TYR A 80 105.362 -6.397 6.051 1.00 0.00 C ATOM 1185 OH TYR A 80 106.046 -5.733 5.056 1.00 0.00 O ATOM 0 H TYR A 80 101.170 -8.489 7.214 1.00 0.00 H new ATOM 0 HA TYR A 80 101.350 -8.603 10.175 1.00 0.00 H new ATOM 0 HB2 TYR A 80 103.669 -8.192 10.136 1.00 0.00 H new ATOM 0 HB3 TYR A 80 103.409 -9.550 9.060 1.00 0.00 H new ATOM 0 HD1 TYR A 80 104.373 -6.009 9.284 1.00 0.00 H new ATOM 0 HD2 TYR A 80 103.741 -9.335 6.638 1.00 0.00 H new ATOM 0 HE1 TYR A 80 105.604 -4.815 7.492 1.00 0.00 H new ATOM 0 HE2 TYR A 80 104.965 -8.137 4.844 1.00 0.00 H new ATOM 0 HH TYR A 80 106.198 -6.340 4.302 1.00 0.00 H new ATOM 1195 N GLY A 81 101.283 -6.092 10.296 1.00 0.00 N ATOM 1196 CA GLY A 81 101.009 -4.654 10.330 1.00 0.00 C ATOM 1197 C GLY A 81 101.985 -3.948 11.262 1.00 0.00 C ATOM 1198 O GLY A 81 102.251 -4.428 12.361 1.00 0.00 O ATOM 0 H GLY A 81 101.363 -6.533 11.212 1.00 0.00 H new ATOM 0 HA2 GLY A 81 101.090 -4.238 9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 81 99.986 -4.480 10.665 1.00 0.00 H new ATOM 1202 N VAL A 82 102.488 -2.788 10.837 1.00 0.00 N ATOM 1203 CA VAL A 82 103.520 -2.088 11.597 1.00 0.00 C ATOM 1204 C VAL A 82 103.208 -0.598 11.708 1.00 0.00 C ATOM 1205 O VAL A 82 102.529 -0.032 10.851 1.00 0.00 O ATOM 1206 CB VAL A 82 104.884 -2.258 10.918 1.00 0.00 C ATOM 1207 CG1 VAL A 82 105.288 -3.734 10.905 1.00 0.00 C ATOM 1208 CG2 VAL A 82 104.810 -1.746 9.476 1.00 0.00 C ATOM 0 H VAL A 82 102.200 -2.318 9.979 1.00 0.00 H new ATOM 0 HA VAL A 82 103.544 -2.521 12.597 1.00 0.00 H new ATOM 0 HB VAL A 82 105.626 -1.686 11.476 1.00 0.00 H new ATOM 0 HG11 VAL A 82 106.258 -3.841 10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.351 -4.103 11.929 1.00 0.00 H new ATOM 0 HG13 VAL A 82 104.543 -4.310 10.357 1.00 0.00 H new ATOM 0 HG21 VAL A 82 105.781 -1.868 8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 82 104.060 -2.314 8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.537 -0.691 9.478 1.00 0.00 H new ATOM 1218 N VAL A 83 103.734 0.024 12.757 1.00 0.00 N ATOM 1219 CA VAL A 83 103.642 1.472 12.921 1.00 0.00 C ATOM 1220 C VAL A 83 105.047 2.017 13.154 1.00 0.00 C ATOM 1221 O VAL A 83 105.848 1.366 13.824 1.00 0.00 O ATOM 1222 CB VAL A 83 102.746 1.821 14.114 1.00 0.00 C ATOM 1223 CG1 VAL A 83 102.598 3.340 14.217 1.00 0.00 C ATOM 1224 CG2 VAL A 83 101.364 1.193 13.921 1.00 0.00 C ATOM 0 H VAL A 83 104.230 -0.453 13.510 1.00 0.00 H new ATOM 0 HA VAL A 83 103.205 1.916 12.026 1.00 0.00 H new ATOM 0 HB VAL A 83 103.199 1.434 15.027 1.00 0.00 H new ATOM 0 HG11 VAL A 83 101.960 3.587 15.066 1.00 0.00 H new ATOM 0 HG12 VAL A 83 103.580 3.793 14.357 1.00 0.00 H new ATOM 0 HG13 VAL A 83 102.148 3.725 13.302 1.00 0.00 H new ATOM 0 HG21 VAL A 83 100.729 1.443 14.771 1.00 0.00 H new ATOM 0 HG22 VAL A 83 100.914 1.578 13.006 1.00 0.00 H new ATOM 0 HG23 VAL A 83 101.463 0.110 13.848 1.00 0.00 H new ATOM 1234 N GLY A 84 105.359 3.173 12.572 1.00 0.00 N ATOM 1235 CA GLY A 84 106.704 3.724 12.701 1.00 0.00 C ATOM 1236 C GLY A 84 106.691 5.243 12.719 1.00 0.00 C ATOM 1237 O GLY A 84 105.657 5.873 12.507 1.00 0.00 O ATOM 0 H GLY A 84 104.713 3.736 12.018 1.00 0.00 H new ATOM 0 HA2 GLY A 84 107.162 3.353 13.618 1.00 0.00 H new ATOM 0 HA3 GLY A 84 107.321 3.375 11.873 1.00 0.00 H new ATOM 1241 N VAL A 85 107.866 5.820 12.936 1.00 0.00 N ATOM 1242 CA VAL A 85 108.019 7.270 12.913 1.00 0.00 C ATOM 1243 C VAL A 85 109.036 7.634 11.841 1.00 0.00 C ATOM 1244 O VAL A 85 110.107 7.031 11.779 1.00 0.00 O ATOM 1245 CB VAL A 85 108.495 7.781 14.278 1.00 0.00 C ATOM 1246 CG1 VAL A 85 108.565 9.309 14.259 1.00 0.00 C ATOM 1247 CG2 VAL A 85 107.514 7.337 15.366 1.00 0.00 C ATOM 0 H VAL A 85 108.726 5.307 13.130 1.00 0.00 H new ATOM 0 HA VAL A 85 107.058 7.734 12.691 1.00 0.00 H new ATOM 0 HB VAL A 85 109.483 7.371 14.487 1.00 0.00 H new ATOM 0 HG11 VAL A 85 108.904 9.670 15.230 1.00 0.00 H new ATOM 0 HG12 VAL A 85 109.265 9.632 13.488 1.00 0.00 H new ATOM 0 HG13 VAL A 85 107.577 9.716 14.045 1.00 0.00 H new ATOM 0 HG21 VAL A 85 107.855 7.702 16.335 1.00 0.00 H new ATOM 0 HG22 VAL A 85 106.526 7.744 15.153 1.00 0.00 H new ATOM 0 HG23 VAL A 85 107.461 6.248 15.386 1.00 0.00 H new ATOM 1257 N GLY A 86 108.685 8.586 10.978 1.00 0.00 N ATOM 1258 CA GLY A 86 109.595 9.010 9.914 1.00 0.00 C ATOM 1259 C GLY A 86 109.986 10.474 10.077 1.00 0.00 C ATOM 1260 O GLY A 86 109.139 11.315 10.366 1.00 0.00 O ATOM 0 H GLY A 86 107.789 9.073 10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.490 8.388 9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 86 109.119 8.863 8.944 1.00 0.00 H new ATOM 1264 N TYR A 87 111.274 10.768 9.899 1.00 0.00 N ATOM 1265 CA TYR A 87 111.766 12.140 9.997 1.00 0.00 C ATOM 1266 C TYR A 87 112.457 12.540 8.699 1.00 0.00 C ATOM 1267 O TYR A 87 113.130 11.723 8.074 1.00 0.00 O ATOM 1268 CB TYR A 87 112.759 12.258 11.155 1.00 0.00 C ATOM 1269 CG TYR A 87 112.163 11.916 12.501 1.00 0.00 C ATOM 1270 CD1 TYR A 87 112.206 10.598 12.971 1.00 0.00 C ATOM 1271 CD2 TYR A 87 111.572 12.917 13.278 1.00 0.00 C ATOM 1272 CE1 TYR A 87 111.656 10.282 14.219 1.00 0.00 C ATOM 1273 CE2 TYR A 87 111.020 12.602 14.527 1.00 0.00 C ATOM 1274 CZ TYR A 87 111.064 11.285 14.997 1.00 0.00 C ATOM 1275 OH TYR A 87 110.523 10.974 16.229 1.00 0.00 O ATOM 0 H TYR A 87 111.993 10.076 9.687 1.00 0.00 H new ATOM 0 HA TYR A 87 110.919 12.803 10.176 1.00 0.00 H new ATOM 0 HB2 TYR A 87 113.606 11.599 10.964 1.00 0.00 H new ATOM 0 HB3 TYR A 87 113.147 13.276 11.187 1.00 0.00 H new ATOM 0 HD1 TYR A 87 112.663 9.825 12.371 1.00 0.00 H new ATOM 0 HD2 TYR A 87 111.541 13.934 12.915 1.00 0.00 H new ATOM 0 HE1 TYR A 87 111.688 9.265 14.582 1.00 0.00 H new ATOM 0 HE2 TYR A 87 110.561 13.375 15.126 1.00 0.00 H new ATOM 0 HH TYR A 87 110.154 11.784 16.638 1.00 0.00 H new ATOM 1285 N GLY A 88 112.287 13.798 8.299 1.00 0.00 N ATOM 1286 CA GLY A 88 112.910 14.301 7.077 1.00 0.00 C ATOM 1287 C GLY A 88 113.728 15.559 7.354 1.00 0.00 C ATOM 1288 O GLY A 88 113.336 16.393 8.171 1.00 0.00 O ATOM 0 H GLY A 88 111.725 14.486 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 88 113.554 13.532 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 88 112.141 14.520 6.336 1.00 0.00 H new ATOM 1292 N LYS A 89 114.865 15.693 6.674 1.00 0.00 N ATOM 1293 CA LYS A 89 115.723 16.862 6.846 1.00 0.00 C ATOM 1294 C LYS A 89 116.030 17.496 5.495 1.00 0.00 C ATOM 1295 O LYS A 89 116.319 16.791 4.526 1.00 0.00 O ATOM 1296 CB LYS A 89 117.032 16.452 7.527 1.00 0.00 C ATOM 1297 CG LYS A 89 116.732 15.933 8.935 1.00 0.00 C ATOM 1298 CD LYS A 89 118.047 15.627 9.657 1.00 0.00 C ATOM 1299 CE LYS A 89 117.746 14.995 11.017 1.00 0.00 C ATOM 1300 NZ LYS A 89 119.015 14.837 11.781 1.00 0.00 N ATOM 0 H LYS A 89 115.212 15.009 6.001 1.00 0.00 H new ATOM 0 HA LYS A 89 115.201 17.588 7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 89 117.533 15.680 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 89 117.710 17.304 7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 89 116.162 16.675 9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 89 116.117 15.034 8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 89 118.655 14.951 9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 89 118.624 16.543 9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 89 117.048 15.620 11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 89 117.267 14.025 10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 118.812 14.407 12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 119.666 14.224 11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 119.454 15.769 11.921 1.00 0.00 H new ATOM 1314 N PHE A 90 115.973 18.827 5.440 1.00 0.00 N ATOM 1315 CA PHE A 90 116.218 19.552 4.196 1.00 0.00 C ATOM 1316 C PHE A 90 117.535 20.317 4.268 1.00 0.00 C ATOM 1317 O PHE A 90 117.795 21.034 5.234 1.00 0.00 O ATOM 1318 CB PHE A 90 115.073 20.532 3.936 1.00 0.00 C ATOM 1319 CG PHE A 90 115.187 21.253 2.612 1.00 0.00 C ATOM 1320 CD1 PHE A 90 114.688 20.660 1.448 1.00 0.00 C ATOM 1321 CD2 PHE A 90 115.792 22.516 2.554 1.00 0.00 C ATOM 1322 CE1 PHE A 90 114.794 21.329 0.221 1.00 0.00 C ATOM 1323 CE2 PHE A 90 115.897 23.183 1.327 1.00 0.00 C ATOM 1324 CZ PHE A 90 115.398 22.591 0.163 1.00 0.00 C ATOM 0 H PHE A 90 115.760 19.422 6.240 1.00 0.00 H new ATOM 0 HA PHE A 90 116.277 18.830 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 90 114.128 19.990 3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 90 115.045 21.267 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 90 114.221 19.687 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 90 116.176 22.974 3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 90 114.410 20.872 -0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 90 116.364 24.156 1.280 1.00 0.00 H new ATOM 0 HZ PHE A 90 115.478 23.108 -0.782 1.00 0.00 H new ATOM 1334 N GLN A 91 118.360 20.163 3.237 1.00 0.00 N ATOM 1335 CA GLN A 91 119.641 20.862 3.180 1.00 0.00 C ATOM 1336 C GLN A 91 119.570 22.024 2.195 1.00 0.00 C ATOM 1337 O GLN A 91 119.198 21.844 1.035 1.00 0.00 O ATOM 1338 CB GLN A 91 120.743 19.890 2.748 1.00 0.00 C ATOM 1339 CG GLN A 91 122.103 20.587 2.825 1.00 0.00 C ATOM 1340 CD GLN A 91 123.184 19.691 2.228 1.00 0.00 C ATOM 1341 OE1 GLN A 91 123.083 19.282 1.071 1.00 0.00 O ATOM 1342 NE2 GLN A 91 124.217 19.359 2.953 1.00 0.00 N ATOM 0 H GLN A 91 118.167 19.564 2.434 1.00 0.00 H new ATOM 0 HA GLN A 91 119.869 21.254 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 91 120.738 19.010 3.391 1.00 0.00 H new ATOM 0 HB3 GLN A 91 120.558 19.543 1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 91 122.066 21.534 2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 91 122.344 20.819 3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 91 124.298 19.699 3.911 1.00 0.00 H new ATOM 0 HE22 GLN A 91 124.943 18.759 2.562 1.00 0.00 H new ATOM 1351 N THR A 92 119.929 23.217 2.660 1.00 0.00 N ATOM 1352 CA THR A 92 119.905 24.396 1.802 1.00 0.00 C ATOM 1353 C THR A 92 121.218 24.525 1.036 1.00 0.00 C ATOM 1354 O THR A 92 122.299 24.445 1.621 1.00 0.00 O ATOM 1355 CB THR A 92 119.678 25.653 2.648 1.00 0.00 C ATOM 1356 OG1 THR A 92 118.508 25.484 3.434 1.00 0.00 O ATOM 1357 CG2 THR A 92 119.506 26.865 1.731 1.00 0.00 C ATOM 0 H THR A 92 120.237 23.392 3.617 1.00 0.00 H new ATOM 0 HA THR A 92 119.089 24.288 1.087 1.00 0.00 H new ATOM 0 HB THR A 92 120.537 25.813 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 92 118.361 26.286 3.978 1.00 0.00 H new ATOM 0 HG21 THR A 92 119.345 27.758 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 92 120.403 26.993 1.126 1.00 0.00 H new ATOM 0 HG23 THR A 92 118.647 26.708 1.078 1.00 0.00 H new ATOM 1365 N THR A 93 121.116 24.725 -0.273 1.00 0.00 N ATOM 1366 CA THR A 93 122.304 24.858 -1.112 1.00 0.00 C ATOM 1367 C THR A 93 122.976 26.215 -0.915 1.00 0.00 C ATOM 1368 O THR A 93 124.201 26.315 -0.951 1.00 0.00 O ATOM 1369 CB THR A 93 121.924 24.687 -2.586 1.00 0.00 C ATOM 1370 OG1 THR A 93 121.020 25.715 -2.961 1.00 0.00 O ATOM 1371 CG2 THR A 93 121.266 23.322 -2.795 1.00 0.00 C ATOM 0 H THR A 93 120.231 24.798 -0.774 1.00 0.00 H new ATOM 0 HA THR A 93 123.009 24.080 -0.818 1.00 0.00 H new ATOM 0 HB THR A 93 122.822 24.749 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 93 120.777 25.609 -3.904 1.00 0.00 H new ATOM 0 HG21 THR A 93 120.997 23.205 -3.845 1.00 0.00 H new ATOM 0 HG22 THR A 93 121.963 22.534 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A 93 120.368 23.253 -2.181 1.00 0.00 H new ATOM 1379 N GLU A 94 122.174 27.256 -0.708 1.00 0.00 N ATOM 1380 CA GLU A 94 122.715 28.602 -0.554 1.00 0.00 C ATOM 1381 C GLU A 94 123.451 28.745 0.775 1.00 0.00 C ATOM 1382 O GLU A 94 124.676 28.859 0.803 1.00 0.00 O ATOM 1383 CB GLU A 94 121.583 29.629 -0.634 1.00 0.00 C ATOM 1384 CG GLU A 94 122.173 31.045 -0.647 1.00 0.00 C ATOM 1385 CD GLU A 94 121.081 32.122 -0.632 1.00 0.00 C ATOM 1386 OE1 GLU A 94 119.907 31.785 -0.586 1.00 0.00 O ATOM 1387 OE2 GLU A 94 121.444 33.285 -0.670 1.00 0.00 O ATOM 0 H GLU A 94 121.158 27.195 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 94 123.426 28.781 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 94 120.990 29.463 -1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 94 120.911 29.512 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 94 122.823 31.175 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 94 122.794 31.171 -1.534 1.00 0.00 H new ATOM 1394 N TYR A 95 122.700 28.730 1.872 1.00 0.00 N ATOM 1395 CA TYR A 95 123.295 28.868 3.197 1.00 0.00 C ATOM 1396 C TYR A 95 122.219 28.726 4.278 1.00 0.00 C ATOM 1397 O TYR A 95 121.065 29.083 4.036 1.00 0.00 O ATOM 1398 CB TYR A 95 123.965 30.238 3.323 1.00 0.00 C ATOM 1399 CG TYR A 95 125.108 30.266 4.310 1.00 0.00 C ATOM 1400 CD1 TYR A 95 126.297 29.585 4.026 1.00 0.00 C ATOM 1401 CD2 TYR A 95 124.975 30.974 5.512 1.00 0.00 C ATOM 1402 CE1 TYR A 95 127.355 29.611 4.942 1.00 0.00 C ATOM 1403 CE2 TYR A 95 126.034 31.001 6.428 1.00 0.00 C ATOM 1404 CZ TYR A 95 127.223 30.321 6.143 1.00 0.00 C ATOM 1405 OH TYR A 95 128.266 30.347 7.047 1.00 0.00 O ATOM 0 H TYR A 95 121.685 28.624 1.871 1.00 0.00 H new ATOM 0 HA TYR A 95 124.040 28.084 3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 95 124.334 30.543 2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 95 123.218 30.972 3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 95 126.398 29.039 3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 95 124.057 31.498 5.732 1.00 0.00 H new ATOM 0 HE1 TYR A 95 128.272 29.084 4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 95 125.933 31.547 7.354 1.00 0.00 H new ATOM 0 HH TYR A 95 128.011 30.884 7.826 1.00 0.00 H new ATOM 1415 N PRO A 96 122.548 28.223 5.450 1.00 0.00 N ATOM 1416 CA PRO A 96 121.562 28.119 6.562 1.00 0.00 C ATOM 1417 C PRO A 96 121.582 29.354 7.459 1.00 0.00 C ATOM 1418 O PRO A 96 121.732 29.253 8.677 1.00 0.00 O ATOM 1419 CB PRO A 96 122.038 26.879 7.317 1.00 0.00 C ATOM 1420 CG PRO A 96 123.521 26.848 7.133 1.00 0.00 C ATOM 1421 CD PRO A 96 123.847 27.670 5.881 1.00 0.00 C ATOM 0 HA PRO A 96 120.532 28.049 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 96 121.774 26.937 8.373 1.00 0.00 H new ATOM 0 HB3 PRO A 96 121.574 25.976 6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 96 124.024 27.263 8.006 1.00 0.00 H new ATOM 0 HG3 PRO A 96 123.872 25.822 7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 96 124.562 28.463 6.102 1.00 0.00 H new ATOM 0 HD3 PRO A 96 124.291 27.049 5.103 1.00 0.00 H new ATOM 1429 N THR A 97 121.424 30.524 6.848 1.00 0.00 N ATOM 1430 CA THR A 97 121.479 31.776 7.592 1.00 0.00 C ATOM 1431 C THR A 97 120.452 31.791 8.720 1.00 0.00 C ATOM 1432 O THR A 97 120.747 32.232 9.831 1.00 0.00 O ATOM 1433 CB THR A 97 121.221 32.953 6.648 1.00 0.00 C ATOM 1434 OG1 THR A 97 122.114 32.879 5.547 1.00 0.00 O ATOM 1435 CG2 THR A 97 121.437 34.270 7.395 1.00 0.00 C ATOM 0 H THR A 97 121.258 30.631 5.847 1.00 0.00 H new ATOM 0 HA THR A 97 122.473 31.867 8.030 1.00 0.00 H new ATOM 0 HB THR A 97 120.193 32.909 6.287 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.949 33.631 4.941 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.253 35.106 6.720 1.00 0.00 H new ATOM 0 HG22 THR A 97 120.749 34.327 8.239 1.00 0.00 H new ATOM 0 HG23 THR A 97 122.463 34.318 7.759 1.00 0.00 H new ATOM 1443 N TYR A 98 119.248 31.306 8.433 1.00 0.00 N ATOM 1444 CA TYR A 98 118.184 31.301 9.432 1.00 0.00 C ATOM 1445 C TYR A 98 118.331 30.115 10.383 1.00 0.00 C ATOM 1446 O TYR A 98 118.445 30.294 11.597 1.00 0.00 O ATOM 1447 CB TYR A 98 116.820 31.236 8.743 1.00 0.00 C ATOM 1448 CG TYR A 98 116.538 32.427 7.858 1.00 0.00 C ATOM 1449 CD1 TYR A 98 116.099 33.630 8.425 1.00 0.00 C ATOM 1450 CD2 TYR A 98 116.715 32.328 6.474 1.00 0.00 C ATOM 1451 CE1 TYR A 98 115.838 34.735 7.604 1.00 0.00 C ATOM 1452 CE2 TYR A 98 116.453 33.432 5.653 1.00 0.00 C ATOM 1453 CZ TYR A 98 116.014 34.635 6.218 1.00 0.00 C ATOM 1454 OH TYR A 98 115.756 35.723 5.411 1.00 0.00 O ATOM 0 H TYR A 98 118.986 30.915 7.528 1.00 0.00 H new ATOM 0 HA TYR A 98 118.259 32.222 10.010 1.00 0.00 H new ATOM 0 HB2 TYR A 98 116.767 30.327 8.144 1.00 0.00 H new ATOM 0 HB3 TYR A 98 116.041 31.164 9.502 1.00 0.00 H new ATOM 0 HD1 TYR A 98 115.962 33.706 9.494 1.00 0.00 H new ATOM 0 HD2 TYR A 98 117.054 31.400 6.038 1.00 0.00 H new ATOM 0 HE1 TYR A 98 115.501 35.664 8.040 1.00 0.00 H new ATOM 0 HE2 TYR A 98 116.590 33.355 4.584 1.00 0.00 H new ATOM 0 HH TYR A 98 115.929 35.485 4.476 1.00 0.00 H new ATOM 1464 N LYS A 99 118.326 28.908 9.827 1.00 0.00 N ATOM 1465 CA LYS A 99 118.441 27.700 10.637 1.00 0.00 C ATOM 1466 C LYS A 99 119.430 26.720 10.014 1.00 0.00 C ATOM 1467 O LYS A 99 119.548 26.635 8.792 1.00 0.00 O ATOM 1468 CB LYS A 99 117.072 27.028 10.766 1.00 0.00 C ATOM 1469 CG LYS A 99 116.112 27.962 11.505 1.00 0.00 C ATOM 1470 CD LYS A 99 114.704 27.361 11.506 1.00 0.00 C ATOM 1471 CE LYS A 99 114.670 26.118 12.399 1.00 0.00 C ATOM 1472 NZ LYS A 99 115.113 26.479 13.775 1.00 0.00 N ATOM 0 H LYS A 99 118.244 28.740 8.824 1.00 0.00 H new ATOM 0 HA LYS A 99 118.806 27.985 11.624 1.00 0.00 H new ATOM 0 HB2 LYS A 99 116.677 26.791 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 99 117.167 26.086 11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 99 116.454 28.114 12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 99 116.100 28.940 11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 99 113.985 28.097 11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 99 114.411 27.098 10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 99 113.661 25.706 12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 99 115.319 25.345 11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 114.709 25.806 14.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 116.151 26.443 13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 114.788 27.440 14.003 1.00 0.00 H new ATOM 1486 N HIS A 100 120.138 25.981 10.863 1.00 0.00 N ATOM 1487 CA HIS A 100 121.095 24.986 10.388 1.00 0.00 C ATOM 1488 C HIS A 100 120.417 23.985 9.455 1.00 0.00 C ATOM 1489 O HIS A 100 120.983 23.587 8.437 1.00 0.00 O ATOM 1490 CB HIS A 100 121.706 24.243 11.576 1.00 0.00 C ATOM 1491 CG HIS A 100 122.458 25.139 12.521 1.00 0.00 C ATOM 1492 ND1 HIS A 100 123.674 25.715 12.184 1.00 0.00 N ATOM 1493 CD2 HIS A 100 122.181 25.570 13.794 1.00 0.00 C ATOM 1494 CE1 HIS A 100 124.078 26.451 13.232 1.00 0.00 C ATOM 1495 NE2 HIS A 100 123.207 26.400 14.242 1.00 0.00 N ATOM 0 H HIS A 100 120.068 26.051 11.878 1.00 0.00 H new ATOM 0 HA HIS A 100 121.880 25.502 9.836 1.00 0.00 H new ATOM 0 HB2 HIS A 100 120.912 23.735 12.124 1.00 0.00 H new ATOM 0 HB3 HIS A 100 122.381 23.472 11.204 1.00 0.00 H new ATOM 0 HD2 HIS A 100 121.301 25.306 14.362 1.00 0.00 H new ATOM 0 HE1 HIS A 100 124.998 27.017 13.255 1.00 0.00 H new ATOM 0 HE2 HIS A 100 123.277 26.867 15.146 1.00 0.00 H new ATOM 1503 N ASP A 101 119.200 23.584 9.811 1.00 0.00 N ATOM 1504 CA ASP A 101 118.454 22.623 9.007 1.00 0.00 C ATOM 1505 C ASP A 101 116.968 22.685 9.347 1.00 0.00 C ATOM 1506 O ASP A 101 116.579 23.265 10.361 1.00 0.00 O ATOM 1507 CB ASP A 101 118.980 21.210 9.267 1.00 0.00 C ATOM 1508 CG ASP A 101 118.388 20.236 8.253 1.00 0.00 C ATOM 1509 OD1 ASP A 101 117.338 19.683 8.537 1.00 0.00 O ATOM 1510 OD2 ASP A 101 118.995 20.055 7.211 1.00 0.00 O ATOM 0 H ASP A 101 118.712 23.908 10.646 1.00 0.00 H new ATOM 0 HA ASP A 101 118.586 22.873 7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 101 120.068 21.200 9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 101 118.720 20.897 10.278 1.00 0.00 H new ATOM 1515 N THR A 102 116.140 22.084 8.496 1.00 0.00 N ATOM 1516 CA THR A 102 114.701 22.037 8.738 1.00 0.00 C ATOM 1517 C THR A 102 114.264 20.589 8.927 1.00 0.00 C ATOM 1518 O THR A 102 114.674 19.711 8.170 1.00 0.00 O ATOM 1519 CB THR A 102 113.949 22.649 7.553 1.00 0.00 C ATOM 1520 OG1 THR A 102 114.440 23.961 7.312 1.00 0.00 O ATOM 1521 CG2 THR A 102 112.454 22.710 7.869 1.00 0.00 C ATOM 0 H THR A 102 116.440 21.625 7.636 1.00 0.00 H new ATOM 0 HA THR A 102 114.472 22.608 9.638 1.00 0.00 H new ATOM 0 HB THR A 102 114.103 22.034 6.667 1.00 0.00 H new ATOM 0 HG1 THR A 102 113.962 24.355 6.553 1.00 0.00 H new ATOM 0 HG21 THR A 102 111.921 23.146 7.024 1.00 0.00 H new ATOM 0 HG22 THR A 102 112.080 21.703 8.054 1.00 0.00 H new ATOM 0 HG23 THR A 102 112.294 23.325 8.755 1.00 0.00 H new ATOM 1529 N SER A 103 113.430 20.340 9.934 1.00 0.00 N ATOM 1530 CA SER A 103 113.020 18.976 10.249 1.00 0.00 C ATOM 1531 C SER A 103 111.520 18.886 10.514 1.00 0.00 C ATOM 1532 O SER A 103 110.882 19.861 10.910 1.00 0.00 O ATOM 1533 CB SER A 103 113.779 18.483 11.484 1.00 0.00 C ATOM 1534 OG SER A 103 113.371 19.240 12.614 1.00 0.00 O ATOM 0 H SER A 103 113.029 21.057 10.539 1.00 0.00 H new ATOM 0 HA SER A 103 113.253 18.351 9.387 1.00 0.00 H new ATOM 0 HB2 SER A 103 113.580 17.424 11.649 1.00 0.00 H new ATOM 0 HB3 SER A 103 114.853 18.586 11.331 1.00 0.00 H new ATOM 0 HG SER A 103 113.853 18.928 13.408 1.00 0.00 H new ATOM 1540 N ASP A 104 110.975 17.696 10.284 1.00 0.00 N ATOM 1541 CA ASP A 104 109.569 17.425 10.556 1.00 0.00 C ATOM 1542 C ASP A 104 109.360 15.919 10.677 1.00 0.00 C ATOM 1543 O ASP A 104 110.176 15.142 10.182 1.00 0.00 O ATOM 1544 CB ASP A 104 108.692 17.995 9.434 1.00 0.00 C ATOM 1545 CG ASP A 104 109.001 17.321 8.097 1.00 0.00 C ATOM 1546 OD1 ASP A 104 110.122 16.872 7.919 1.00 0.00 O ATOM 1547 OD2 ASP A 104 108.107 17.266 7.269 1.00 0.00 O ATOM 0 H ASP A 104 111.490 16.900 9.908 1.00 0.00 H new ATOM 0 HA ASP A 104 109.283 17.905 11.492 1.00 0.00 H new ATOM 0 HB2 ASP A 104 107.640 17.852 9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 104 108.857 19.069 9.350 1.00 0.00 H new ATOM 1552 N TYR A 105 108.268 15.507 11.318 1.00 0.00 N ATOM 1553 CA TYR A 105 108.011 14.085 11.536 1.00 0.00 C ATOM 1554 C TYR A 105 106.594 13.704 11.115 1.00 0.00 C ATOM 1555 O TYR A 105 105.687 14.537 11.116 1.00 0.00 O ATOM 1556 CB TYR A 105 108.231 13.745 13.012 1.00 0.00 C ATOM 1557 CG TYR A 105 107.219 14.370 13.947 1.00 0.00 C ATOM 1558 CD1 TYR A 105 107.415 15.673 14.418 1.00 0.00 C ATOM 1559 CD2 TYR A 105 106.088 13.644 14.341 1.00 0.00 C ATOM 1560 CE1 TYR A 105 106.479 16.252 15.283 1.00 0.00 C ATOM 1561 CE2 TYR A 105 105.151 14.225 15.204 1.00 0.00 C ATOM 1562 CZ TYR A 105 105.346 15.528 15.677 1.00 0.00 C ATOM 1563 OH TYR A 105 104.424 16.099 16.529 1.00 0.00 O ATOM 0 H TYR A 105 107.553 16.131 11.692 1.00 0.00 H new ATOM 0 HA TYR A 105 108.705 13.513 10.921 1.00 0.00 H new ATOM 0 HB2 TYR A 105 108.201 12.662 13.133 1.00 0.00 H new ATOM 0 HB3 TYR A 105 109.229 14.071 13.304 1.00 0.00 H new ATOM 0 HD1 TYR A 105 108.288 16.232 14.114 1.00 0.00 H new ATOM 0 HD2 TYR A 105 105.939 12.637 13.980 1.00 0.00 H new ATOM 0 HE1 TYR A 105 106.630 17.258 15.647 1.00 0.00 H new ATOM 0 HE2 TYR A 105 104.277 13.667 15.505 1.00 0.00 H new ATOM 0 HH TYR A 105 103.699 15.462 16.700 1.00 0.00 H new ATOM 1573 N GLY A 106 106.416 12.435 10.759 1.00 0.00 N ATOM 1574 CA GLY A 106 105.104 11.931 10.373 1.00 0.00 C ATOM 1575 C GLY A 106 104.917 10.515 10.901 1.00 0.00 C ATOM 1576 O GLY A 106 105.884 9.875 11.310 1.00 0.00 O ATOM 0 H GLY A 106 107.162 11.740 10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 106 104.324 12.582 10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 106 105.006 11.940 9.287 1.00 0.00 H new ATOM 1580 N PHE A 107 103.687 10.014 10.864 1.00 0.00 N ATOM 1581 CA PHE A 107 103.407 8.672 11.364 1.00 0.00 C ATOM 1582 C PHE A 107 103.156 7.734 10.193 1.00 0.00 C ATOM 1583 O PHE A 107 102.319 8.013 9.334 1.00 0.00 O ATOM 1584 CB PHE A 107 102.184 8.691 12.283 1.00 0.00 C ATOM 1585 CG PHE A 107 102.409 9.457 13.565 1.00 0.00 C ATOM 1586 CD1 PHE A 107 103.145 8.875 14.604 1.00 0.00 C ATOM 1587 CD2 PHE A 107 101.882 10.745 13.717 1.00 0.00 C ATOM 1588 CE1 PHE A 107 103.353 9.579 15.795 1.00 0.00 C ATOM 1589 CE2 PHE A 107 102.091 11.450 14.908 1.00 0.00 C ATOM 1590 CZ PHE A 107 102.828 10.869 15.947 1.00 0.00 C ATOM 0 H PHE A 107 102.875 10.511 10.497 1.00 0.00 H new ATOM 0 HA PHE A 107 104.267 8.321 11.934 1.00 0.00 H new ATOM 0 HB2 PHE A 107 101.343 9.132 11.748 1.00 0.00 H new ATOM 0 HB3 PHE A 107 101.905 7.666 12.525 1.00 0.00 H new ATOM 0 HD1 PHE A 107 103.553 7.882 14.486 1.00 0.00 H new ATOM 0 HD2 PHE A 107 101.314 11.195 12.916 1.00 0.00 H new ATOM 0 HE1 PHE A 107 103.918 9.128 16.597 1.00 0.00 H new ATOM 0 HE2 PHE A 107 101.683 12.443 15.026 1.00 0.00 H new ATOM 0 HZ PHE A 107 102.992 11.415 16.865 1.00 0.00 H new ATOM 1600 N SER A 108 103.884 6.618 10.160 1.00 0.00 N ATOM 1601 CA SER A 108 103.738 5.668 9.061 1.00 0.00 C ATOM 1602 C SER A 108 102.987 4.421 9.516 1.00 0.00 C ATOM 1603 O SER A 108 103.235 3.899 10.600 1.00 0.00 O ATOM 1604 CB SER A 108 105.118 5.259 8.547 1.00 0.00 C ATOM 1605 OG SER A 108 105.761 6.392 7.980 1.00 0.00 O ATOM 0 H SER A 108 104.569 6.354 10.868 1.00 0.00 H new ATOM 0 HA SER A 108 103.170 6.151 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 108 105.718 4.856 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 108 105.022 4.470 7.802 1.00 0.00 H new ATOM 0 HG SER A 108 106.169 6.143 7.124 1.00 0.00 H new ATOM 1611 N TYR A 109 102.070 3.961 8.673 1.00 0.00 N ATOM 1612 CA TYR A 109 101.365 2.708 8.917 1.00 0.00 C ATOM 1613 C TYR A 109 101.472 1.841 7.670 1.00 0.00 C ATOM 1614 O TYR A 109 101.249 2.334 6.567 1.00 0.00 O ATOM 1615 CB TYR A 109 99.893 2.984 9.227 1.00 0.00 C ATOM 1616 CG TYR A 109 99.104 1.739 9.562 1.00 0.00 C ATOM 1617 CD1 TYR A 109 99.046 1.283 10.886 1.00 0.00 C ATOM 1618 CD2 TYR A 109 98.434 1.041 8.550 1.00 0.00 C ATOM 1619 CE1 TYR A 109 98.316 0.129 11.196 1.00 0.00 C ATOM 1620 CE2 TYR A 109 97.704 -0.112 8.862 1.00 0.00 C ATOM 1621 CZ TYR A 109 97.645 -0.569 10.184 1.00 0.00 C ATOM 1622 OH TYR A 109 96.926 -1.706 10.491 1.00 0.00 O ATOM 0 H TYR A 109 101.797 4.437 7.813 1.00 0.00 H new ATOM 0 HA TYR A 109 101.810 2.196 9.770 1.00 0.00 H new ATOM 0 HB2 TYR A 109 99.830 3.680 10.063 1.00 0.00 H new ATOM 0 HB3 TYR A 109 99.435 3.475 8.368 1.00 0.00 H new ATOM 0 HD1 TYR A 109 99.564 1.821 11.666 1.00 0.00 H new ATOM 0 HD2 TYR A 109 98.480 1.392 7.530 1.00 0.00 H new ATOM 0 HE1 TYR A 109 98.270 -0.223 12.216 1.00 0.00 H new ATOM 0 HE2 TYR A 109 97.186 -0.650 8.082 1.00 0.00 H new ATOM 0 HH TYR A 109 96.521 -2.067 9.675 1.00 0.00 H new ATOM 1632 N GLY A 110 101.829 0.568 7.835 1.00 0.00 N ATOM 1633 CA GLY A 110 102.046 -0.291 6.675 1.00 0.00 C ATOM 1634 C GLY A 110 101.568 -1.711 6.925 1.00 0.00 C ATOM 1635 O GLY A 110 101.469 -2.154 8.068 1.00 0.00 O ATOM 0 H GLY A 110 101.971 0.118 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 110 101.521 0.122 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 110 103.107 -0.304 6.426 1.00 0.00 H new ATOM 1639 N ALA A 111 101.284 -2.416 5.838 1.00 0.00 N ATOM 1640 CA ALA A 111 100.901 -3.820 5.926 1.00 0.00 C ATOM 1641 C ALA A 111 101.416 -4.571 4.707 1.00 0.00 C ATOM 1642 O ALA A 111 101.497 -4.003 3.618 1.00 0.00 O ATOM 1643 CB ALA A 111 99.378 -3.946 6.009 1.00 0.00 C ATOM 0 H ALA A 111 101.311 -2.042 4.889 1.00 0.00 H new ATOM 0 HA ALA A 111 101.340 -4.251 6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 111 99.103 -4.999 6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 111 99.017 -3.421 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 111 98.928 -3.508 5.118 1.00 0.00 H new ATOM 1649 N GLY A 112 101.734 -5.850 4.883 1.00 0.00 N ATOM 1650 CA GLY A 112 102.291 -6.629 3.780 1.00 0.00 C ATOM 1651 C GLY A 112 101.927 -8.106 3.867 1.00 0.00 C ATOM 1652 O GLY A 112 101.532 -8.600 4.924 1.00 0.00 O ATOM 0 H GLY A 112 101.619 -6.361 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 112 101.930 -6.224 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 112 103.376 -6.525 3.777 1.00 0.00 H new ATOM 1656 N LEU A 113 102.080 -8.792 2.735 1.00 0.00 N ATOM 1657 CA LEU A 113 101.816 -10.224 2.648 1.00 0.00 C ATOM 1658 C LEU A 113 103.134 -10.973 2.497 1.00 0.00 C ATOM 1659 O LEU A 113 104.074 -10.439 1.907 1.00 0.00 O ATOM 1660 CB LEU A 113 100.904 -10.528 1.456 1.00 0.00 C ATOM 1661 CG LEU A 113 99.607 -9.718 1.561 1.00 0.00 C ATOM 1662 CD1 LEU A 113 98.747 -9.969 0.320 1.00 0.00 C ATOM 1663 CD2 LEU A 113 98.826 -10.147 2.806 1.00 0.00 C ATOM 0 H LEU A 113 102.389 -8.372 1.858 1.00 0.00 H new ATOM 0 HA LEU A 113 101.314 -10.549 3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 113 101.417 -10.287 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 113 100.675 -11.593 1.427 1.00 0.00 H new ATOM 0 HG LEU A 113 99.853 -8.659 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 113 97.824 -9.393 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 113 99.295 -9.663 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 113 98.508 -11.030 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 113 97.905 -9.568 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 113 98.583 -11.207 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 113 99.433 -9.972 3.694 1.00 0.00 H new ATOM 1675 N GLN A 114 103.207 -12.204 3.005 1.00 0.00 N ATOM 1676 CA GLN A 114 104.478 -12.929 3.011 1.00 0.00 C ATOM 1677 C GLN A 114 104.300 -14.373 2.551 1.00 0.00 C ATOM 1678 O GLN A 114 103.350 -15.049 2.946 1.00 0.00 O ATOM 1679 CB GLN A 114 105.070 -12.916 4.423 1.00 0.00 C ATOM 1680 CG GLN A 114 106.477 -13.524 4.400 1.00 0.00 C ATOM 1681 CD GLN A 114 107.113 -13.481 5.789 1.00 0.00 C ATOM 1682 OE1 GLN A 114 106.574 -12.877 6.717 1.00 0.00 O ATOM 1683 NE2 GLN A 114 108.245 -14.100 5.988 1.00 0.00 N ATOM 0 H GLN A 114 102.420 -12.711 3.409 1.00 0.00 H new ATOM 0 HA GLN A 114 105.153 -12.430 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 114 105.111 -11.894 4.801 1.00 0.00 H new ATOM 0 HB3 GLN A 114 104.430 -13.481 5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 114 106.426 -14.555 4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 114 107.102 -12.978 3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 114 108.694 -14.601 5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 114 108.681 -14.083 6.910 1.00 0.00 H new ATOM 1692 N PHE A 115 105.222 -14.837 1.712 1.00 0.00 N ATOM 1693 CA PHE A 115 105.258 -16.244 1.343 1.00 0.00 C ATOM 1694 C PHE A 115 106.712 -16.648 1.172 1.00 0.00 C ATOM 1695 O PHE A 115 107.452 -15.984 0.446 1.00 0.00 O ATOM 1696 CB PHE A 115 104.482 -16.484 0.047 1.00 0.00 C ATOM 1697 CG PHE A 115 105.063 -15.776 -1.154 1.00 0.00 C ATOM 1698 CD1 PHE A 115 104.730 -14.440 -1.409 1.00 0.00 C ATOM 1699 CD2 PHE A 115 105.930 -16.459 -2.016 1.00 0.00 C ATOM 1700 CE1 PHE A 115 105.264 -13.788 -2.526 1.00 0.00 C ATOM 1701 CE2 PHE A 115 106.464 -15.805 -3.134 1.00 0.00 C ATOM 1702 CZ PHE A 115 106.130 -14.470 -3.387 1.00 0.00 C ATOM 0 H PHE A 115 105.947 -14.264 1.280 1.00 0.00 H new ATOM 0 HA PHE A 115 104.789 -16.844 2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 115 104.452 -17.555 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 115 103.452 -16.157 0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 115 104.062 -13.913 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 115 106.187 -17.489 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 115 105.007 -12.758 -2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 115 107.133 -16.331 -3.800 1.00 0.00 H new ATOM 0 HZ PHE A 115 106.542 -13.965 -4.249 1.00 0.00 H new ATOM 1712 N ASN A 116 107.131 -17.723 1.841 1.00 0.00 N ATOM 1713 CA ASN A 116 108.555 -18.046 1.891 1.00 0.00 C ATOM 1714 C ASN A 116 108.831 -19.550 1.817 1.00 0.00 C ATOM 1715 O ASN A 116 108.312 -20.317 2.627 1.00 0.00 O ATOM 1716 CB ASN A 116 109.127 -17.519 3.210 1.00 0.00 C ATOM 1717 CG ASN A 116 108.388 -18.144 4.389 1.00 0.00 C ATOM 1718 OD1 ASN A 116 107.236 -17.804 4.652 1.00 0.00 O ATOM 1719 ND2 ASN A 116 108.989 -19.045 5.118 1.00 0.00 N ATOM 0 H ASN A 116 106.522 -18.369 2.343 1.00 0.00 H new ATOM 0 HA ASN A 116 109.024 -17.581 1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 116 110.190 -17.751 3.273 1.00 0.00 H new ATOM 0 HB3 ASN A 116 109.035 -16.434 3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 116 108.503 -19.469 5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 116 109.945 -19.325 4.897 1.00 0.00 H new ATOM 1726 N PRO A 117 109.632 -19.987 0.875 1.00 0.00 N ATOM 1727 CA PRO A 117 110.364 -21.271 0.977 1.00 0.00 C ATOM 1728 C PRO A 117 111.810 -20.999 1.385 1.00 0.00 C ATOM 1729 O PRO A 117 112.206 -19.840 1.503 1.00 0.00 O ATOM 1730 CB PRO A 117 110.283 -21.843 -0.442 1.00 0.00 C ATOM 1731 CG PRO A 117 109.963 -20.692 -1.345 1.00 0.00 C ATOM 1732 CD PRO A 117 109.841 -19.440 -0.473 1.00 0.00 C ATOM 0 HA PRO A 117 109.956 -21.956 1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 117 111.226 -22.309 -0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 117 109.514 -22.613 -0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 117 110.745 -20.563 -2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 117 109.034 -20.875 -1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 117 110.740 -18.826 -0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 117 109.007 -18.811 -0.786 1.00 0.00 H new ATOM 1740 N MET A 118 112.597 -22.048 1.601 1.00 0.00 N ATOM 1741 CA MET A 118 113.995 -21.874 1.994 1.00 0.00 C ATOM 1742 C MET A 118 114.734 -20.971 1.007 1.00 0.00 C ATOM 1743 O MET A 118 114.150 -20.504 0.031 1.00 0.00 O ATOM 1744 CB MET A 118 114.692 -23.235 2.048 1.00 0.00 C ATOM 1745 CG MET A 118 114.047 -24.095 3.140 1.00 0.00 C ATOM 1746 SD MET A 118 115.003 -25.618 3.362 1.00 0.00 S ATOM 1747 CE MET A 118 114.811 -26.268 1.682 1.00 0.00 C ATOM 0 H MET A 118 112.297 -23.019 1.512 1.00 0.00 H new ATOM 0 HA MET A 118 114.014 -21.406 2.978 1.00 0.00 H new ATOM 0 HB2 MET A 118 114.613 -23.735 1.082 1.00 0.00 H new ATOM 0 HB3 MET A 118 115.754 -23.104 2.253 1.00 0.00 H new ATOM 0 HG2 MET A 118 114.006 -23.540 4.077 1.00 0.00 H new ATOM 0 HG3 MET A 118 113.019 -24.336 2.867 1.00 0.00 H new ATOM 0 HE1 MET A 118 114.938 -27.351 1.694 1.00 0.00 H new ATOM 0 HE2 MET A 118 113.817 -26.023 1.309 1.00 0.00 H new ATOM 0 HE3 MET A 118 115.563 -25.822 1.031 1.00 0.00 H new ATOM 1757 N GLU A 119 116.004 -20.700 1.293 1.00 0.00 N ATOM 1758 CA GLU A 119 116.853 -19.918 0.396 1.00 0.00 C ATOM 1759 C GLU A 119 116.349 -18.480 0.229 1.00 0.00 C ATOM 1760 O GLU A 119 115.392 -18.059 0.880 1.00 0.00 O ATOM 1761 CB GLU A 119 116.933 -20.608 -0.971 1.00 0.00 C ATOM 1762 CG GLU A 119 117.546 -22.002 -0.806 1.00 0.00 C ATOM 1763 CD GLU A 119 118.978 -21.926 -0.267 1.00 0.00 C ATOM 1764 OE1 GLU A 119 119.585 -20.869 -0.343 1.00 0.00 O ATOM 1765 OE2 GLU A 119 119.450 -22.941 0.221 1.00 0.00 O ATOM 0 H GLU A 119 116.471 -21.012 2.144 1.00 0.00 H new ATOM 0 HA GLU A 119 117.845 -19.864 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 119 115.938 -20.686 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 119 117.537 -20.013 -1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 119 116.931 -22.593 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 119 117.545 -22.517 -1.767 1.00 0.00 H new ATOM 1772 N ASN A 120 117.018 -17.742 -0.656 1.00 0.00 N ATOM 1773 CA ASN A 120 116.699 -16.339 -0.951 1.00 0.00 C ATOM 1774 C ASN A 120 115.299 -16.138 -1.553 1.00 0.00 C ATOM 1775 O ASN A 120 114.825 -15.005 -1.653 1.00 0.00 O ATOM 1776 CB ASN A 120 117.738 -15.779 -1.925 1.00 0.00 C ATOM 1777 CG ASN A 120 119.136 -15.891 -1.325 1.00 0.00 C ATOM 1778 OD1 ASN A 120 120.008 -16.543 -1.897 1.00 0.00 O ATOM 1779 ND2 ASN A 120 119.402 -15.284 -0.200 1.00 0.00 N ATOM 0 H ASN A 120 117.805 -18.102 -1.196 1.00 0.00 H new ATOM 0 HA ASN A 120 116.716 -15.811 0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 120 117.694 -16.324 -2.868 1.00 0.00 H new ATOM 0 HB3 ASN A 120 117.513 -14.736 -2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 120 120.335 -15.350 0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 120 118.677 -14.744 0.272 1.00 0.00 H new ATOM 1786 N VAL A 121 114.644 -17.223 -1.951 1.00 0.00 N ATOM 1787 CA VAL A 121 113.462 -17.168 -2.806 1.00 0.00 C ATOM 1788 C VAL A 121 112.183 -16.782 -2.064 1.00 0.00 C ATOM 1789 O VAL A 121 111.091 -17.050 -2.567 1.00 0.00 O ATOM 1790 CB VAL A 121 113.263 -18.507 -3.521 1.00 0.00 C ATOM 1791 CG1 VAL A 121 114.452 -18.769 -4.449 1.00 0.00 C ATOM 1792 CG2 VAL A 121 113.167 -19.640 -2.498 1.00 0.00 C ATOM 0 H VAL A 121 114.918 -18.170 -1.689 1.00 0.00 H new ATOM 0 HA VAL A 121 113.651 -16.376 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 121 112.340 -18.466 -4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 121 114.312 -19.722 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 121 114.521 -17.969 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 121 115.370 -18.802 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 121 113.026 -20.588 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 121 114.086 -19.680 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 121 112.321 -19.460 -1.834 1.00 0.00 H new ATOM 1802 N ALA A 122 112.293 -16.193 -0.869 1.00 0.00 N ATOM 1803 CA ALA A 122 111.095 -15.818 -0.111 1.00 0.00 C ATOM 1804 C ALA A 122 110.873 -14.309 -0.207 1.00 0.00 C ATOM 1805 O ALA A 122 111.827 -13.541 -0.126 1.00 0.00 O ATOM 1806 CB ALA A 122 111.289 -16.201 1.356 1.00 0.00 C ATOM 0 H ALA A 122 113.178 -15.969 -0.414 1.00 0.00 H new ATOM 0 HA ALA A 122 110.230 -16.339 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 122 110.401 -15.924 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 122 111.449 -17.276 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 122 112.155 -15.676 1.758 1.00 0.00 H new ATOM 1812 N LEU A 123 109.617 -13.882 -0.383 1.00 0.00 N ATOM 1813 CA LEU A 123 109.342 -12.487 -0.739 1.00 0.00 C ATOM 1814 C LEU A 123 108.238 -11.886 0.122 1.00 0.00 C ATOM 1815 O LEU A 123 107.371 -12.598 0.630 1.00 0.00 O ATOM 1816 CB LEU A 123 108.918 -12.380 -2.208 1.00 0.00 C ATOM 1817 CG LEU A 123 110.075 -12.791 -3.135 1.00 0.00 C ATOM 1818 CD1 LEU A 123 109.990 -14.288 -3.445 1.00 0.00 C ATOM 1819 CD2 LEU A 123 109.996 -12.009 -4.451 1.00 0.00 C ATOM 0 H LEU A 123 108.789 -14.471 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 123 110.265 -11.934 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 123 108.054 -13.019 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 123 108.612 -11.358 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 123 111.017 -12.571 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 123 110.813 -14.571 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 123 110.055 -14.856 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 123 109.042 -14.504 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 123 110.819 -12.306 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 123 109.048 -12.223 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 123 110.065 -10.941 -4.244 1.00 0.00 H new ATOM 1831 N ASP A 124 108.285 -10.565 0.267 1.00 0.00 N ATOM 1832 CA ASP A 124 107.245 -9.838 0.985 1.00 0.00 C ATOM 1833 C ASP A 124 106.879 -8.564 0.227 1.00 0.00 C ATOM 1834 O ASP A 124 107.755 -7.904 -0.333 1.00 0.00 O ATOM 1835 CB ASP A 124 107.732 -9.483 2.391 1.00 0.00 C ATOM 1836 CG ASP A 124 106.568 -8.974 3.231 1.00 0.00 C ATOM 1837 OD1 ASP A 124 106.334 -7.777 3.221 1.00 0.00 O ATOM 1838 OD2 ASP A 124 105.925 -9.792 3.868 1.00 0.00 O ATOM 0 H ASP A 124 109.032 -9.977 -0.103 1.00 0.00 H new ATOM 0 HA ASP A 124 106.361 -10.471 1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 124 108.176 -10.359 2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 124 108.511 -8.722 2.334 1.00 0.00 H new ATOM 1843 N PHE A 125 105.589 -8.236 0.191 1.00 0.00 N ATOM 1844 CA PHE A 125 105.130 -7.017 -0.475 1.00 0.00 C ATOM 1845 C PHE A 125 104.342 -6.162 0.512 1.00 0.00 C ATOM 1846 O PHE A 125 103.460 -6.674 1.197 1.00 0.00 O ATOM 1847 CB PHE A 125 104.242 -7.373 -1.668 1.00 0.00 C ATOM 1848 CG PHE A 125 104.962 -8.157 -2.739 1.00 0.00 C ATOM 1849 CD1 PHE A 125 105.614 -7.484 -3.781 1.00 0.00 C ATOM 1850 CD2 PHE A 125 104.979 -9.556 -2.691 1.00 0.00 C ATOM 1851 CE1 PHE A 125 106.282 -8.211 -4.773 1.00 0.00 C ATOM 1852 CE2 PHE A 125 105.647 -10.283 -3.683 1.00 0.00 C ATOM 1853 CZ PHE A 125 106.298 -9.611 -4.725 1.00 0.00 C ATOM 0 H PHE A 125 104.846 -8.793 0.612 1.00 0.00 H new ATOM 0 HA PHE A 125 105.996 -6.459 -0.831 1.00 0.00 H new ATOM 0 HB2 PHE A 125 103.388 -7.952 -1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 125 103.847 -6.455 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 125 105.601 -6.405 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 125 104.476 -10.075 -1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 125 106.785 -7.693 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 125 105.660 -11.362 -3.645 1.00 0.00 H new ATOM 0 HZ PHE A 125 106.812 -10.172 -5.491 1.00 0.00 H new ATOM 1863 N SER A 126 104.646 -4.867 0.577 1.00 0.00 N ATOM 1864 CA SER A 126 104.021 -4.004 1.578 1.00 0.00 C ATOM 1865 C SER A 126 103.670 -2.635 1.008 1.00 0.00 C ATOM 1866 O SER A 126 104.285 -2.177 0.048 1.00 0.00 O ATOM 1867 CB SER A 126 104.966 -3.827 2.766 1.00 0.00 C ATOM 1868 OG SER A 126 106.072 -3.028 2.371 1.00 0.00 O ATOM 0 H SER A 126 105.309 -4.398 -0.040 1.00 0.00 H new ATOM 0 HA SER A 126 103.096 -4.485 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 126 104.440 -3.356 3.596 1.00 0.00 H new ATOM 0 HB3 SER A 126 105.312 -4.799 3.118 1.00 0.00 H new ATOM 0 HG SER A 126 106.754 -3.042 3.075 1.00 0.00 H new ATOM 1874 N TYR A 127 102.671 -1.994 1.606 1.00 0.00 N ATOM 1875 CA TYR A 127 102.308 -0.626 1.252 1.00 0.00 C ATOM 1876 C TYR A 127 102.357 0.252 2.501 1.00 0.00 C ATOM 1877 O TYR A 127 101.970 -0.188 3.585 1.00 0.00 O ATOM 1878 CB TYR A 127 100.908 -0.600 0.631 1.00 0.00 C ATOM 1879 CG TYR A 127 99.796 -0.952 1.594 1.00 0.00 C ATOM 1880 CD1 TYR A 127 99.393 -2.285 1.741 1.00 0.00 C ATOM 1881 CD2 TYR A 127 99.170 0.054 2.338 1.00 0.00 C ATOM 1882 CE1 TYR A 127 98.365 -2.611 2.633 1.00 0.00 C ATOM 1883 CE2 TYR A 127 98.141 -0.272 3.231 1.00 0.00 C ATOM 1884 CZ TYR A 127 97.738 -1.605 3.378 1.00 0.00 C ATOM 1885 OH TYR A 127 96.724 -1.926 4.257 1.00 0.00 O ATOM 0 H TYR A 127 102.095 -2.403 2.342 1.00 0.00 H new ATOM 0 HA TYR A 127 103.016 -0.239 0.519 1.00 0.00 H new ATOM 0 HB2 TYR A 127 100.721 0.394 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 127 100.882 -1.296 -0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 127 99.875 -3.062 1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 127 99.480 1.082 2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 127 98.055 -3.639 2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 127 97.659 0.505 3.806 1.00 0.00 H new ATOM 0 HH TYR A 127 96.399 -1.111 4.694 1.00 0.00 H new ATOM 1895 N GLU A 128 102.842 1.480 2.337 1.00 0.00 N ATOM 1896 CA GLU A 128 102.994 2.406 3.456 1.00 0.00 C ATOM 1897 C GLU A 128 102.172 3.667 3.219 1.00 0.00 C ATOM 1898 O GLU A 128 102.132 4.191 2.104 1.00 0.00 O ATOM 1899 CB GLU A 128 104.469 2.782 3.610 1.00 0.00 C ATOM 1900 CG GLU A 128 104.672 3.616 4.880 1.00 0.00 C ATOM 1901 CD GLU A 128 106.122 4.099 5.019 1.00 0.00 C ATOM 1902 OE1 GLU A 128 106.938 3.806 4.154 1.00 0.00 O ATOM 1903 OE2 GLU A 128 106.401 4.768 5.998 1.00 0.00 O ATOM 0 H GLU A 128 103.137 1.858 1.437 1.00 0.00 H new ATOM 0 HA GLU A 128 102.639 1.920 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 128 105.079 1.880 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 128 104.801 3.346 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 128 104.003 4.476 4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 128 104.402 3.021 5.753 1.00 0.00 H new ATOM 1910 N GLN A 129 101.514 4.155 4.268 1.00 0.00 N ATOM 1911 CA GLN A 129 100.676 5.344 4.156 1.00 0.00 C ATOM 1912 C GLN A 129 101.108 6.416 5.153 1.00 0.00 C ATOM 1913 O GLN A 129 101.379 6.119 6.318 1.00 0.00 O ATOM 1914 CB GLN A 129 99.215 4.969 4.415 1.00 0.00 C ATOM 1915 CG GLN A 129 98.314 6.168 4.112 1.00 0.00 C ATOM 1916 CD GLN A 129 98.192 6.359 2.604 1.00 0.00 C ATOM 1917 OE1 GLN A 129 97.655 5.495 1.909 1.00 0.00 O ATOM 1918 NE2 GLN A 129 98.662 7.444 2.054 1.00 0.00 N ATOM 0 H GLN A 129 101.545 3.746 5.202 1.00 0.00 H new ATOM 0 HA GLN A 129 100.785 5.745 3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 129 98.931 4.121 3.791 1.00 0.00 H new ATOM 0 HB3 GLN A 129 99.087 4.659 5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 129 97.327 6.012 4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 129 98.726 7.068 4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 129 99.106 8.158 2.632 1.00 0.00 H new ATOM 0 HE22 GLN A 129 98.586 7.579 1.046 1.00 0.00 H new ATOM 1927 N SER A 130 101.187 7.648 4.664 1.00 0.00 N ATOM 1928 CA SER A 130 101.435 8.814 5.504 1.00 0.00 C ATOM 1929 C SER A 130 100.233 9.738 5.387 1.00 0.00 C ATOM 1930 O SER A 130 99.743 9.952 4.270 1.00 0.00 O ATOM 1931 CB SER A 130 102.701 9.556 5.077 1.00 0.00 C ATOM 1932 OG SER A 130 103.749 8.617 4.874 1.00 0.00 O ATOM 0 H SER A 130 101.081 7.867 3.673 1.00 0.00 H new ATOM 0 HA SER A 130 101.581 8.490 6.534 1.00 0.00 H new ATOM 0 HB2 SER A 130 102.516 10.116 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 130 102.988 10.279 5.840 1.00 0.00 H new ATOM 0 HG SER A 130 104.562 9.089 4.598 1.00 0.00 H new ATOM 1938 N ARG A 131 99.884 10.413 6.482 1.00 0.00 N ATOM 1939 CA ARG A 131 98.535 10.937 6.672 1.00 0.00 C ATOM 1940 C ARG A 131 98.443 12.342 6.090 1.00 0.00 C ATOM 1941 O ARG A 131 99.410 13.104 6.122 1.00 0.00 O ATOM 1942 CB ARG A 131 98.143 10.927 8.162 1.00 0.00 C ATOM 1943 CG ARG A 131 98.953 11.949 8.973 1.00 0.00 C ATOM 1944 CD ARG A 131 98.645 11.777 10.462 1.00 0.00 C ATOM 1945 NE ARG A 131 99.252 12.861 11.239 1.00 0.00 N ATOM 1946 CZ ARG A 131 100.575 13.023 11.387 1.00 0.00 C ATOM 1947 NH1 ARG A 131 101.442 12.193 10.864 1.00 0.00 N ATOM 1948 NH2 ARG A 131 101.013 14.036 12.082 1.00 0.00 N ATOM 0 H ARG A 131 100.522 10.610 7.253 1.00 0.00 H new ATOM 0 HA ARG A 131 97.830 10.293 6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 131 97.080 11.147 8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 131 98.301 9.930 8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 131 100.019 11.810 8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 131 98.705 12.961 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 131 97.566 11.769 10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 131 99.024 10.816 10.809 1.00 0.00 H new ATOM 0 HE ARG A 131 98.632 13.531 11.694 1.00 0.00 H new ATOM 0 HH11 ARG A 131 101.118 11.391 10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 131 102.441 12.348 10.998 1.00 0.00 H new ATOM 0 HH21 ARG A 131 100.352 14.690 12.503 1.00 0.00 H new ATOM 0 HH22 ARG A 131 102.016 14.175 12.205 1.00 0.00 H new ATOM 1962 N ILE A 132 97.272 12.679 5.560 1.00 0.00 N ATOM 1963 CA ILE A 132 97.201 13.540 4.392 1.00 0.00 C ATOM 1964 C ILE A 132 97.176 15.022 4.767 1.00 0.00 C ATOM 1965 O ILE A 132 96.147 15.611 5.096 1.00 0.00 O ATOM 1966 CB ILE A 132 95.937 13.182 3.583 1.00 0.00 C ATOM 1967 CG1 ILE A 132 95.994 11.706 3.161 1.00 0.00 C ATOM 1968 CG2 ILE A 132 95.829 14.056 2.326 1.00 0.00 C ATOM 1969 CD1 ILE A 132 94.618 11.259 2.664 1.00 0.00 C ATOM 0 H ILE A 132 96.368 12.371 5.919 1.00 0.00 H new ATOM 0 HA ILE A 132 98.097 13.375 3.794 1.00 0.00 H new ATOM 0 HB ILE A 132 95.066 13.359 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 132 96.737 11.571 2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 132 96.305 11.089 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 132 94.930 13.786 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 132 95.775 15.105 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 132 96.705 13.898 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 132 94.662 10.212 2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 132 93.886 11.378 3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 132 94.324 11.868 1.809 1.00 0.00 H new ATOM 1981 N ARG A 133 98.378 15.574 4.693 1.00 0.00 N ATOM 1982 CA ARG A 133 98.616 17.001 4.521 1.00 0.00 C ATOM 1983 C ARG A 133 98.676 17.278 3.018 1.00 0.00 C ATOM 1984 O ARG A 133 98.448 16.376 2.203 1.00 0.00 O ATOM 1985 CB ARG A 133 99.933 17.407 5.183 1.00 0.00 C ATOM 1986 CG ARG A 133 99.837 17.190 6.695 1.00 0.00 C ATOM 1987 CD ARG A 133 101.104 17.714 7.373 1.00 0.00 C ATOM 1988 NE ARG A 133 102.292 17.059 6.816 1.00 0.00 N ATOM 1989 CZ ARG A 133 102.663 15.808 7.127 1.00 0.00 C ATOM 1990 NH1 ARG A 133 101.983 15.067 7.968 1.00 0.00 N ATOM 1991 NH2 ARG A 133 103.737 15.312 6.576 1.00 0.00 N ATOM 0 H ARG A 133 99.238 15.028 4.752 1.00 0.00 H new ATOM 0 HA ARG A 133 97.818 17.578 4.988 1.00 0.00 H new ATOM 0 HB2 ARG A 133 100.754 16.819 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 133 100.152 18.453 4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 133 98.962 17.705 7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 133 99.709 16.130 6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 133 101.178 18.793 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 133 101.051 17.533 8.446 1.00 0.00 H new ATOM 0 HE ARG A 133 102.867 17.583 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 133 101.142 15.438 8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 133 102.295 14.120 8.181 1.00 0.00 H new ATOM 0 HH21 ARG A 133 104.280 15.874 5.920 1.00 0.00 H new ATOM 0 HH22 ARG A 133 104.034 14.362 6.801 1.00 0.00 H new ATOM 2005 N SER A 134 98.950 18.522 2.629 1.00 0.00 N ATOM 2006 CA SER A 134 98.935 18.882 1.207 1.00 0.00 C ATOM 2007 C SER A 134 99.805 17.945 0.351 1.00 0.00 C ATOM 2008 O SER A 134 99.700 17.964 -0.875 1.00 0.00 O ATOM 2009 CB SER A 134 99.426 20.319 1.037 1.00 0.00 C ATOM 2010 OG SER A 134 100.807 20.381 1.365 1.00 0.00 O ATOM 0 H SER A 134 99.181 19.287 3.263 1.00 0.00 H new ATOM 0 HA SER A 134 97.906 18.783 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 134 99.268 20.651 0.011 1.00 0.00 H new ATOM 0 HB3 SER A 134 98.856 20.989 1.680 1.00 0.00 H new ATOM 0 HG SER A 134 101.128 21.300 1.256 1.00 0.00 H new ATOM 2016 N VAL A 135 100.663 17.127 0.974 1.00 0.00 N ATOM 2017 CA VAL A 135 101.363 16.060 0.258 1.00 0.00 C ATOM 2018 C VAL A 135 100.975 14.696 0.832 1.00 0.00 C ATOM 2019 O VAL A 135 100.974 14.499 2.050 1.00 0.00 O ATOM 2020 CB VAL A 135 102.877 16.258 0.369 1.00 0.00 C ATOM 2021 CG1 VAL A 135 103.267 17.586 -0.280 1.00 0.00 C ATOM 2022 CG2 VAL A 135 103.290 16.276 1.844 1.00 0.00 C ATOM 0 H VAL A 135 100.886 17.185 1.968 1.00 0.00 H new ATOM 0 HA VAL A 135 101.075 16.097 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 135 103.384 15.438 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 135 104.345 17.727 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 135 102.979 17.576 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 135 102.756 18.403 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 135 104.368 16.417 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 135 102.781 17.094 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 135 103.015 15.330 2.310 1.00 0.00 H new ATOM 2032 N ASP A 136 100.638 13.757 -0.050 1.00 0.00 N ATOM 2033 CA ASP A 136 100.224 12.412 0.361 1.00 0.00 C ATOM 2034 C ASP A 136 101.313 11.402 0.013 1.00 0.00 C ATOM 2035 O ASP A 136 101.904 11.501 -1.065 1.00 0.00 O ATOM 2036 CB ASP A 136 98.940 12.006 -0.369 1.00 0.00 C ATOM 2037 CG ASP A 136 97.795 12.962 -0.051 1.00 0.00 C ATOM 2038 OD1 ASP A 136 98.029 14.159 -0.019 1.00 0.00 O ATOM 2039 OD2 ASP A 136 96.693 12.480 0.145 1.00 0.00 O ATOM 0 H ASP A 136 100.643 13.902 -1.060 1.00 0.00 H new ATOM 0 HA ASP A 136 100.051 12.423 1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 136 99.119 11.994 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 136 98.661 10.992 -0.081 1.00 0.00 H new ATOM 2044 N VAL A 137 101.591 10.435 0.899 1.00 0.00 N ATOM 2045 CA VAL A 137 102.637 9.445 0.601 1.00 0.00 C ATOM 2046 C VAL A 137 102.030 8.078 0.296 1.00 0.00 C ATOM 2047 O VAL A 137 101.299 7.516 1.111 1.00 0.00 O ATOM 2048 CB VAL A 137 103.616 9.300 1.773 1.00 0.00 C ATOM 2049 CG1 VAL A 137 104.794 8.421 1.346 1.00 0.00 C ATOM 2050 CG2 VAL A 137 104.150 10.673 2.196 1.00 0.00 C ATOM 0 H VAL A 137 101.125 10.317 1.798 1.00 0.00 H new ATOM 0 HA VAL A 137 103.175 9.807 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 137 103.091 8.845 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 137 105.491 8.317 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 137 104.427 7.437 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 137 105.305 8.882 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 137 104.843 10.553 3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 137 104.668 11.136 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 137 103.319 11.307 2.504 1.00 0.00 H new ATOM 2060 N GLY A 138 102.339 7.551 -0.888 1.00 0.00 N ATOM 2061 CA GLY A 138 101.974 6.183 -1.236 1.00 0.00 C ATOM 2062 C GLY A 138 103.223 5.426 -1.664 1.00 0.00 C ATOM 2063 O GLY A 138 103.831 5.778 -2.673 1.00 0.00 O ATOM 0 H GLY A 138 102.841 8.052 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.510 5.689 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 138 101.240 6.183 -2.042 1.00 0.00 H new ATOM 2067 N THR A 139 103.625 4.411 -0.901 1.00 0.00 N ATOM 2068 CA THR A 139 104.868 3.696 -1.198 1.00 0.00 C ATOM 2069 C THR A 139 104.626 2.198 -1.325 1.00 0.00 C ATOM 2070 O THR A 139 103.942 1.603 -0.494 1.00 0.00 O ATOM 2071 CB THR A 139 105.893 3.954 -0.092 1.00 0.00 C ATOM 2072 OG1 THR A 139 106.017 5.353 0.119 1.00 0.00 O ATOM 2073 CG2 THR A 139 107.247 3.377 -0.506 1.00 0.00 C ATOM 0 H THR A 139 103.118 4.068 -0.085 1.00 0.00 H new ATOM 0 HA THR A 139 105.250 4.065 -2.150 1.00 0.00 H new ATOM 0 HB THR A 139 105.563 3.475 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 139 106.672 5.520 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 139 107.977 3.561 0.282 1.00 0.00 H new ATOM 0 HG22 THR A 139 107.151 2.303 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 139 107.580 3.855 -1.428 1.00 0.00 H new ATOM 2081 N TRP A 140 105.196 1.602 -2.367 1.00 0.00 N ATOM 2082 CA TRP A 140 105.109 0.157 -2.565 1.00 0.00 C ATOM 2083 C TRP A 140 106.501 -0.450 -2.442 1.00 0.00 C ATOM 2084 O TRP A 140 107.444 0.052 -3.054 1.00 0.00 O ATOM 2085 CB TRP A 140 104.534 -0.149 -3.950 1.00 0.00 C ATOM 2086 CG TRP A 140 103.112 0.282 -4.113 1.00 0.00 C ATOM 2087 CD1 TRP A 140 102.711 1.415 -4.737 1.00 0.00 C ATOM 2088 CD2 TRP A 140 101.898 -0.388 -3.663 1.00 0.00 C ATOM 2089 NE1 TRP A 140 101.331 1.482 -4.696 1.00 0.00 N ATOM 2090 CE2 TRP A 140 100.782 0.395 -4.046 1.00 0.00 C ATOM 2091 CE3 TRP A 140 101.659 -1.588 -2.968 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 99.475 0.001 -3.749 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 100.349 -1.986 -2.667 1.00 0.00 C ATOM 2094 CH2 TRP A 140 99.259 -1.195 -3.056 1.00 0.00 C ATOM 0 H TRP A 140 105.723 2.095 -3.088 1.00 0.00 H new ATOM 0 HA TRP A 140 104.452 -0.272 -1.808 1.00 0.00 H new ATOM 0 HB2 TRP A 140 105.144 0.346 -4.706 1.00 0.00 H new ATOM 0 HB3 TRP A 140 104.604 -1.221 -4.135 1.00 0.00 H new ATOM 0 HD1 TRP A 140 103.363 2.146 -5.192 1.00 0.00 H new ATOM 0 HE1 TRP A 140 100.784 2.243 -5.098 1.00 0.00 H new ATOM 0 HE3 TRP A 140 102.491 -2.207 -2.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 98.639 0.614 -4.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 100.178 -2.908 -2.132 1.00 0.00 H new ATOM 0 HH2 TRP A 140 98.253 -1.509 -2.821 1.00 0.00 H new ATOM 2105 N ILE A 141 106.629 -1.514 -1.651 1.00 0.00 N ATOM 2106 CA ILE A 141 107.933 -2.115 -1.380 1.00 0.00 C ATOM 2107 C ILE A 141 107.928 -3.587 -1.775 1.00 0.00 C ATOM 2108 O ILE A 141 106.987 -4.313 -1.452 1.00 0.00 O ATOM 2109 CB ILE A 141 108.267 -1.997 0.114 1.00 0.00 C ATOM 2110 CG1 ILE A 141 108.193 -0.535 0.567 1.00 0.00 C ATOM 2111 CG2 ILE A 141 109.686 -2.518 0.367 1.00 0.00 C ATOM 2112 CD1 ILE A 141 108.219 -0.463 2.097 1.00 0.00 C ATOM 0 H ILE A 141 105.847 -1.977 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 141 108.685 -1.586 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 141 107.543 -2.587 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 141 109.031 0.026 0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 141 107.282 -0.073 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 141 109.921 -2.433 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 141 109.749 -3.563 0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 141 110.398 -1.929 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 141 108.166 0.579 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 141 107.366 -1.009 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 141 109.143 -0.908 2.467 1.00 0.00 H new ATOM 2124 N ALA A 142 108.983 -4.021 -2.460 1.00 0.00 N ATOM 2125 CA ALA A 142 109.153 -5.434 -2.783 1.00 0.00 C ATOM 2126 C ALA A 142 110.533 -5.890 -2.325 1.00 0.00 C ATOM 2127 O ALA A 142 111.536 -5.283 -2.700 1.00 0.00 O ATOM 2128 CB ALA A 142 109.012 -5.651 -4.291 1.00 0.00 C ATOM 0 H ALA A 142 109.730 -3.416 -2.801 1.00 0.00 H new ATOM 0 HA ALA A 142 108.385 -6.015 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 142 109.141 -6.709 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 142 108.023 -5.328 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 142 109.772 -5.071 -4.815 1.00 0.00 H new ATOM 2134 N GLY A 143 110.587 -6.941 -1.509 1.00 0.00 N ATOM 2135 CA GLY A 143 111.859 -7.385 -0.946 1.00 0.00 C ATOM 2136 C GLY A 143 111.998 -8.903 -0.985 1.00 0.00 C ATOM 2137 O GLY A 143 111.005 -9.628 -0.943 1.00 0.00 O ATOM 0 H GLY A 143 109.777 -7.493 -1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.680 -6.931 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 143 111.941 -7.039 0.084 1.00 0.00 H new ATOM 2141 N VAL A 144 113.245 -9.361 -1.033 1.00 0.00 N ATOM 2142 CA VAL A 144 113.546 -10.788 -1.045 1.00 0.00 C ATOM 2143 C VAL A 144 114.447 -11.110 0.141 1.00 0.00 C ATOM 2144 O VAL A 144 115.262 -10.276 0.535 1.00 0.00 O ATOM 2145 CB VAL A 144 114.245 -11.169 -2.356 1.00 0.00 C ATOM 2146 CG1 VAL A 144 113.306 -10.894 -3.533 1.00 0.00 C ATOM 2147 CG2 VAL A 144 115.522 -10.338 -2.523 1.00 0.00 C ATOM 0 H VAL A 144 114.068 -8.760 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 144 112.621 -11.359 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 144 114.503 -12.228 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 144 113.802 -11.165 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 144 112.398 -11.486 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 144 113.048 -9.835 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 144 116.015 -10.612 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 144 115.266 -9.279 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 144 116.194 -10.531 -1.687 1.00 0.00 H new ATOM 2157 N GLY A 145 114.293 -12.299 0.715 1.00 0.00 N ATOM 2158 CA GLY A 145 115.034 -12.639 1.922 1.00 0.00 C ATOM 2159 C GLY A 145 115.391 -14.118 2.012 1.00 0.00 C ATOM 2160 O GLY A 145 114.932 -14.945 1.216 1.00 0.00 O ATOM 0 H GLY A 145 113.672 -13.031 0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 145 115.949 -12.048 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 145 114.442 -12.361 2.794 1.00 0.00 H new ATOM 2164 N TYR A 146 116.190 -14.409 3.036 1.00 0.00 N ATOM 2165 CA TYR A 146 116.701 -15.747 3.307 1.00 0.00 C ATOM 2166 C TYR A 146 116.423 -16.110 4.764 1.00 0.00 C ATOM 2167 O TYR A 146 116.303 -15.222 5.609 1.00 0.00 O ATOM 2168 CB TYR A 146 118.209 -15.762 3.043 1.00 0.00 C ATOM 2169 CG TYR A 146 118.887 -17.068 3.385 1.00 0.00 C ATOM 2170 CD1 TYR A 146 118.830 -18.142 2.492 1.00 0.00 C ATOM 2171 CD2 TYR A 146 119.579 -17.197 4.594 1.00 0.00 C ATOM 2172 CE1 TYR A 146 119.469 -19.348 2.806 1.00 0.00 C ATOM 2173 CE2 TYR A 146 120.218 -18.403 4.908 1.00 0.00 C ATOM 2174 CZ TYR A 146 120.162 -19.479 4.014 1.00 0.00 C ATOM 2175 OH TYR A 146 120.791 -20.667 4.324 1.00 0.00 O ATOM 0 H TYR A 146 116.504 -13.710 3.710 1.00 0.00 H new ATOM 0 HA TYR A 146 116.210 -16.474 2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 146 118.384 -15.540 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 146 118.675 -14.962 3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 146 118.293 -18.042 1.560 1.00 0.00 H new ATOM 0 HD2 TYR A 146 119.620 -16.368 5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 146 119.427 -20.177 2.115 1.00 0.00 H new ATOM 0 HE2 TYR A 146 120.754 -18.503 5.840 1.00 0.00 H new ATOM 0 HH TYR A 146 121.226 -20.588 5.199 1.00 0.00 H new ATOM 2185 N ARG A 147 116.333 -17.407 5.052 1.00 0.00 N ATOM 2186 CA ARG A 147 115.994 -17.870 6.400 1.00 0.00 C ATOM 2187 C ARG A 147 117.131 -18.695 6.996 1.00 0.00 C ATOM 2188 O ARG A 147 117.865 -19.368 6.276 1.00 0.00 O ATOM 2189 CB ARG A 147 114.728 -18.727 6.351 1.00 0.00 C ATOM 2190 CG ARG A 147 113.546 -17.879 5.880 1.00 0.00 C ATOM 2191 CD ARG A 147 112.257 -18.697 5.974 1.00 0.00 C ATOM 2192 NE ARG A 147 112.371 -19.933 5.193 1.00 0.00 N ATOM 2193 CZ ARG A 147 111.675 -21.049 5.471 1.00 0.00 C ATOM 2194 NH1 ARG A 147 110.835 -21.117 6.476 1.00 0.00 N ATOM 2195 NH2 ARG A 147 111.840 -22.100 4.718 1.00 0.00 N ATOM 0 H ARG A 147 116.489 -18.154 4.375 1.00 0.00 H new ATOM 0 HA ARG A 147 115.828 -16.994 7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 147 114.874 -19.570 5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 147 114.520 -19.141 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 147 113.464 -16.980 6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 147 113.707 -17.552 4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 147 112.048 -18.937 7.016 1.00 0.00 H new ATOM 0 HD3 ARG A 147 111.417 -18.106 5.608 1.00 0.00 H new ATOM 0 HE ARG A 147 113.011 -19.947 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 147 110.692 -20.306 7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 147 110.324 -21.981 6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 147 112.489 -22.067 3.932 1.00 0.00 H new ATOM 0 HH22 ARG A 147 111.320 -22.955 4.915 1.00 0.00 H new ATOM 2209 N PHE A 148 117.266 -18.636 8.320 1.00 0.00 N ATOM 2210 CA PHE A 148 118.309 -19.384 9.014 1.00 0.00 C ATOM 2211 C PHE A 148 119.687 -19.065 8.439 1.00 0.00 C ATOM 2212 O PHE A 148 120.331 -18.171 8.963 1.00 0.00 O ATOM 2213 CB PHE A 148 118.035 -20.886 8.901 1.00 0.00 C ATOM 2214 CG PHE A 148 119.021 -21.736 9.669 1.00 0.00 C ATOM 2215 CD1 PHE A 148 118.825 -21.977 11.034 1.00 0.00 C ATOM 2216 CD2 PHE A 148 120.133 -22.279 9.014 1.00 0.00 C ATOM 2217 CE1 PHE A 148 119.740 -22.762 11.744 1.00 0.00 C ATOM 2218 CE2 PHE A 148 121.047 -23.065 9.725 1.00 0.00 C ATOM 2219 CZ PHE A 148 120.852 -23.307 11.089 1.00 0.00 C ATOM 2220 OXT PHE A 148 120.081 -19.716 7.484 1.00 0.00 O ATOM 0 H PHE A 148 116.668 -18.080 8.930 1.00 0.00 H new ATOM 0 HA PHE A 148 118.299 -19.090 10.064 1.00 0.00 H new ATOM 0 HB2 PHE A 148 117.028 -21.092 9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 148 118.060 -21.174 7.850 1.00 0.00 H new ATOM 0 HD1 PHE A 148 117.968 -21.557 11.539 1.00 0.00 H new ATOM 0 HD2 PHE A 148 120.285 -22.092 7.961 1.00 0.00 H new ATOM 0 HE1 PHE A 148 119.589 -22.948 12.797 1.00 0.00 H new ATOM 0 HE2 PHE A 148 121.904 -23.485 9.220 1.00 0.00 H new ATOM 0 HZ PHE A 148 121.558 -23.913 11.637 1.00 0.00 H new TER 2230 PHE A 148