USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 749 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 41 GLN :FLIP amide:sc= -1.22 F(o=-6.5!,f=-2.4) USER MOD Set 1.2: A 46 ASN : amide:sc= -1.19 K(o=-2.4,f=-3.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 50:sc= 0.0657 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 150:sc= -0.499 (180deg=-1.94!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 31:sc= 1.24 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.904 F(o=-1.4,f=-0.9) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -119:sc= -0.494 (180deg=-2.93!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 130:sc= -0.746 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 38:sc= 0.117 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 165:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -76:sc= 0.823 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.319 (180deg=0.297) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.369) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 64:sc= 0.127 USER MOD Single : A 91 SER OG : rot 81:sc= -3.43! USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.00103 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 120.138 11.140 -2.903 1.00 0.00 N ATOM 2 CA GLY A 1 120.658 10.305 -1.785 1.00 0.00 C ATOM 3 C GLY A 1 120.202 8.862 -1.879 1.00 0.00 C ATOM 4 O GLY A 1 119.025 8.590 -2.119 1.00 0.00 O ATOM 0 H1 GLY A 1 120.477 12.117 -2.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 120.475 10.756 -3.809 1.00 0.00 H new ATOM 0 H3 GLY A 1 119.098 11.131 -2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 1 121.747 10.339 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 1 120.327 10.727 -0.836 1.00 0.00 H new ATOM 10 N SER A 2 121.135 7.935 -1.688 1.00 0.00 N ATOM 11 CA SER A 2 120.822 6.512 -1.752 1.00 0.00 C ATOM 12 C SER A 2 119.883 6.109 -0.621 1.00 0.00 C ATOM 13 O SER A 2 119.959 6.647 0.484 1.00 0.00 O ATOM 14 CB SER A 2 122.107 5.683 -1.684 1.00 0.00 C ATOM 15 OG SER A 2 122.628 5.441 -2.980 1.00 0.00 O ATOM 0 H SER A 2 122.113 8.143 -1.488 1.00 0.00 H new ATOM 0 HA SER A 2 120.322 6.318 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 2 122.850 6.207 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 2 121.905 4.734 -1.187 1.00 0.00 H new ATOM 0 HG SER A 2 123.449 4.911 -2.909 1.00 0.00 H new ATOM 21 N SER A 3 118.997 5.160 -0.902 1.00 0.00 N ATOM 22 CA SER A 3 118.042 4.685 0.092 1.00 0.00 C ATOM 23 C SER A 3 118.645 3.564 0.933 1.00 0.00 C ATOM 24 O SER A 3 118.658 2.404 0.523 1.00 0.00 O ATOM 25 CB SER A 3 116.764 4.194 -0.591 1.00 0.00 C ATOM 26 OG SER A 3 117.063 3.463 -1.768 1.00 0.00 O ATOM 0 H SER A 3 118.920 4.704 -1.811 1.00 0.00 H new ATOM 0 HA SER A 3 117.797 5.518 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 3 116.199 3.566 0.097 1.00 0.00 H new ATOM 0 HB3 SER A 3 116.130 5.046 -0.839 1.00 0.00 H new ATOM 0 HG SER A 3 117.741 2.784 -1.568 1.00 0.00 H new ATOM 32 N GLY A 4 119.143 3.920 2.114 1.00 0.00 N ATOM 33 CA GLY A 4 119.741 2.933 2.993 1.00 0.00 C ATOM 34 C GLY A 4 119.727 3.367 4.446 1.00 0.00 C ATOM 35 O GLY A 4 118.924 4.213 4.840 1.00 0.00 O ATOM 0 H GLY A 4 119.143 4.873 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 4 119.204 1.990 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 4 120.769 2.749 2.682 1.00 0.00 H new ATOM 39 N SER A 5 120.616 2.785 5.244 1.00 0.00 N ATOM 40 CA SER A 5 120.703 3.116 6.662 1.00 0.00 C ATOM 41 C SER A 5 122.050 3.754 6.990 1.00 0.00 C ATOM 42 O SER A 5 122.125 4.697 7.777 1.00 0.00 O ATOM 43 CB SER A 5 120.499 1.861 7.513 1.00 0.00 C ATOM 44 OG SER A 5 119.829 2.169 8.723 1.00 0.00 O ATOM 0 H SER A 5 121.286 2.082 4.933 1.00 0.00 H new ATOM 0 HA SER A 5 119.916 3.834 6.891 1.00 0.00 H new ATOM 0 HB2 SER A 5 119.922 1.126 6.951 1.00 0.00 H new ATOM 0 HB3 SER A 5 121.465 1.407 7.734 1.00 0.00 H new ATOM 0 HG SER A 5 119.709 1.350 9.248 1.00 0.00 H new ATOM 50 N SER A 6 123.109 3.233 6.381 1.00 0.00 N ATOM 51 CA SER A 6 124.454 3.751 6.607 1.00 0.00 C ATOM 52 C SER A 6 124.821 4.789 5.552 1.00 0.00 C ATOM 53 O SER A 6 124.732 4.528 4.353 1.00 0.00 O ATOM 54 CB SER A 6 125.472 2.611 6.594 1.00 0.00 C ATOM 55 OG SER A 6 126.514 2.846 7.526 1.00 0.00 O ATOM 0 H SER A 6 123.063 2.452 5.727 1.00 0.00 H new ATOM 0 HA SER A 6 124.471 4.232 7.585 1.00 0.00 H new ATOM 0 HB2 SER A 6 124.973 1.671 6.831 1.00 0.00 H new ATOM 0 HB3 SER A 6 125.892 2.506 5.594 1.00 0.00 H new ATOM 0 HG SER A 6 127.151 2.102 7.499 1.00 0.00 H new ATOM 61 N GLY A 7 125.235 5.968 6.007 1.00 0.00 N ATOM 62 CA GLY A 7 125.610 7.027 5.088 1.00 0.00 C ATOM 63 C GLY A 7 127.112 7.214 5.001 1.00 0.00 C ATOM 64 O GLY A 7 127.869 6.243 5.033 1.00 0.00 O ATOM 0 H GLY A 7 125.317 6.208 6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 7 125.217 6.800 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 7 125.148 7.961 5.407 1.00 0.00 H new ATOM 68 N LEU A 8 127.545 8.467 4.889 1.00 0.00 N ATOM 69 CA LEU A 8 128.966 8.780 4.795 1.00 0.00 C ATOM 70 C LEU A 8 129.559 8.221 3.505 1.00 0.00 C ATOM 71 O LEU A 8 130.682 7.717 3.493 1.00 0.00 O ATOM 72 CB LEU A 8 129.719 8.220 6.004 1.00 0.00 C ATOM 73 CG LEU A 8 129.030 8.435 7.352 1.00 0.00 C ATOM 74 CD1 LEU A 8 129.288 7.256 8.279 1.00 0.00 C ATOM 75 CD2 LEU A 8 129.506 9.731 7.991 1.00 0.00 C ATOM 0 H LEU A 8 126.931 9.281 4.861 1.00 0.00 H new ATOM 0 HA LEU A 8 129.074 9.865 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 8 129.869 7.150 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 8 130.707 8.678 6.041 1.00 0.00 H new ATOM 0 HG LEU A 8 127.956 8.508 7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 8 128.790 7.428 9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 8 128.899 6.344 7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 8 130.360 7.150 8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 8 129.006 9.869 8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 8 130.584 9.685 8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 8 129.270 10.569 7.335 1.00 0.00 H new ATOM 87 N ALA A 9 128.795 8.314 2.423 1.00 0.00 N ATOM 88 CA ALA A 9 129.241 7.818 1.128 1.00 0.00 C ATOM 89 C ALA A 9 129.592 8.968 0.192 1.00 0.00 C ATOM 90 O ALA A 9 128.799 9.890 0.000 1.00 0.00 O ATOM 91 CB ALA A 9 128.171 6.934 0.504 1.00 0.00 C ATOM 0 H ALA A 9 127.863 8.729 2.417 1.00 0.00 H new ATOM 0 HA ALA A 9 130.141 7.224 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 9 128.518 6.570 -0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 9 127.971 6.087 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 9 127.256 7.511 0.368 1.00 0.00 H new ATOM 97 N MET A 10 130.785 8.908 -0.389 1.00 0.00 N ATOM 98 CA MET A 10 131.242 9.945 -1.306 1.00 0.00 C ATOM 99 C MET A 10 131.920 9.331 -2.528 1.00 0.00 C ATOM 100 O MET A 10 133.135 9.442 -2.697 1.00 0.00 O ATOM 101 CB MET A 10 132.206 10.896 -0.594 1.00 0.00 C ATOM 102 CG MET A 10 131.568 11.663 0.553 1.00 0.00 C ATOM 103 SD MET A 10 132.377 13.245 0.863 1.00 0.00 S ATOM 104 CE MET A 10 132.247 14.013 -0.751 1.00 0.00 C ATOM 0 H MET A 10 131.453 8.152 -0.241 1.00 0.00 H new ATOM 0 HA MET A 10 130.371 10.508 -1.642 1.00 0.00 H new ATOM 0 HB2 MET A 10 133.051 10.324 -0.212 1.00 0.00 H new ATOM 0 HB3 MET A 10 132.604 11.607 -1.319 1.00 0.00 H new ATOM 0 HG2 MET A 10 130.515 11.835 0.329 1.00 0.00 H new ATOM 0 HG3 MET A 10 131.607 11.056 1.457 1.00 0.00 H new ATOM 0 HE1 MET A 10 132.188 15.095 -0.635 1.00 0.00 H new ATOM 0 HE2 MET A 10 133.124 13.759 -1.346 1.00 0.00 H new ATOM 0 HE3 MET A 10 131.350 13.652 -1.254 1.00 0.00 H new ATOM 114 N PRO A 11 131.139 8.673 -3.402 1.00 0.00 N ATOM 115 CA PRO A 11 131.671 8.043 -4.613 1.00 0.00 C ATOM 116 C PRO A 11 132.451 9.024 -5.486 1.00 0.00 C ATOM 117 O PRO A 11 133.544 8.709 -5.957 1.00 0.00 O ATOM 118 CB PRO A 11 130.423 7.547 -5.350 1.00 0.00 C ATOM 119 CG PRO A 11 129.365 7.447 -4.304 1.00 0.00 C ATOM 120 CD PRO A 11 129.682 8.497 -3.277 1.00 0.00 C ATOM 0 HA PRO A 11 132.378 7.249 -4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 11 130.131 8.239 -6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 11 130.602 6.581 -5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 11 128.377 7.611 -4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 11 129.356 6.454 -3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 11 129.147 9.426 -3.475 1.00 0.00 H new ATOM 0 HD3 PRO A 11 129.401 8.175 -2.274 1.00 0.00 H new ATOM 128 N PRO A 12 131.907 10.235 -5.713 1.00 0.00 N ATOM 129 CA PRO A 12 132.573 11.253 -6.531 1.00 0.00 C ATOM 130 C PRO A 12 133.937 11.637 -5.966 1.00 0.00 C ATOM 131 O PRO A 12 134.781 12.188 -6.673 1.00 0.00 O ATOM 132 CB PRO A 12 131.618 12.453 -6.477 1.00 0.00 C ATOM 133 CG PRO A 12 130.301 11.882 -6.078 1.00 0.00 C ATOM 134 CD PRO A 12 130.613 10.712 -5.191 1.00 0.00 C ATOM 0 HA PRO A 12 132.765 10.897 -7.543 1.00 0.00 H new ATOM 0 HB2 PRO A 12 131.960 13.197 -5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 12 131.555 12.951 -7.445 1.00 0.00 H new ATOM 0 HG2 PRO A 12 129.698 12.622 -5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 12 129.730 11.569 -6.952 1.00 0.00 H new ATOM 0 HD2 PRO A 12 130.684 11.007 -4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 12 129.844 9.942 -5.253 1.00 0.00 H new ATOM 142 N GLY A 13 134.145 11.341 -4.687 1.00 0.00 N ATOM 143 CA GLY A 13 135.408 11.661 -4.048 1.00 0.00 C ATOM 144 C GLY A 13 136.522 10.720 -4.461 1.00 0.00 C ATOM 145 O GLY A 13 137.189 10.944 -5.472 1.00 0.00 O ATOM 0 H GLY A 13 133.462 10.885 -4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 13 135.689 12.684 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 13 135.285 11.620 -2.966 1.00 0.00 H new ATOM 149 N ASN A 14 136.723 9.665 -3.678 1.00 0.00 N ATOM 150 CA ASN A 14 137.765 8.687 -3.969 1.00 0.00 C ATOM 151 C ASN A 14 137.162 7.396 -4.514 1.00 0.00 C ATOM 152 O ASN A 14 137.556 6.914 -5.575 1.00 0.00 O ATOM 153 CB ASN A 14 138.580 8.389 -2.709 1.00 0.00 C ATOM 154 CG ASN A 14 139.257 9.626 -2.152 1.00 0.00 C ATOM 155 OD1 ASN A 14 140.304 10.048 -2.643 1.00 0.00 O ATOM 156 ND2 ASN A 14 138.660 10.215 -1.122 1.00 0.00 N ATOM 0 H ASN A 14 136.179 9.466 -2.838 1.00 0.00 H new ATOM 0 HA ASN A 14 138.423 9.109 -4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 14 137.925 7.963 -1.949 1.00 0.00 H new ATOM 0 HB3 ASN A 14 139.335 7.637 -2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 14 139.069 11.052 -0.706 1.00 0.00 H new ATOM 0 HD22 ASN A 14 137.793 9.830 -0.747 1.00 0.00 H new ATOM 163 N SER A 15 136.202 6.842 -3.779 1.00 0.00 N ATOM 164 CA SER A 15 135.544 5.607 -4.189 1.00 0.00 C ATOM 165 C SER A 15 134.436 5.233 -3.208 1.00 0.00 C ATOM 166 O SER A 15 133.344 4.832 -3.612 1.00 0.00 O ATOM 167 CB SER A 15 136.561 4.468 -4.286 1.00 0.00 C ATOM 168 OG SER A 15 137.099 4.375 -5.592 1.00 0.00 O ATOM 0 H SER A 15 135.863 7.229 -2.898 1.00 0.00 H new ATOM 0 HA SER A 15 135.099 5.770 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 15 137.365 4.632 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 15 136.083 3.526 -4.018 1.00 0.00 H new ATOM 0 HG SER A 15 137.119 5.265 -6.002 1.00 0.00 H new ATOM 174 N HIS A 16 134.726 5.365 -1.919 1.00 0.00 N ATOM 175 CA HIS A 16 133.756 5.041 -0.879 1.00 0.00 C ATOM 176 C HIS A 16 134.196 5.603 0.468 1.00 0.00 C ATOM 177 O HIS A 16 133.479 6.389 1.089 1.00 0.00 O ATOM 178 CB HIS A 16 133.574 3.525 -0.778 1.00 0.00 C ATOM 179 CG HIS A 16 132.466 2.998 -1.636 1.00 0.00 C ATOM 180 ND1 HIS A 16 132.499 2.283 -2.786 1.00 0.00 N flip ATOM 181 CD2 HIS A 16 131.131 3.188 -1.343 1.00 0.00 C flip ATOM 182 CE1 HIS A 16 131.198 2.057 -3.162 1.00 0.00 C flip ATOM 183 NE2 HIS A 16 130.392 2.611 -2.275 1.00 0.00 N flip ATOM 0 H HIS A 16 135.625 5.694 -1.568 1.00 0.00 H new ATOM 0 HA HIS A 16 132.804 5.497 -1.149 1.00 0.00 H new ATOM 0 HB2 HIS A 16 134.506 3.036 -1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 16 133.377 3.259 0.260 1.00 0.00 H new ATOM 0 HD2 HIS A 16 130.750 3.724 -0.487 1.00 0.00 H new ATOM 0 HE1 HIS A 16 130.885 1.514 -4.041 1.00 0.00 H new ATOM 0 HE2 HIS A 16 129.373 2.596 -2.304 1.00 0.00 H new ATOM 192 N GLY A 17 135.381 5.198 0.914 1.00 0.00 N ATOM 193 CA GLY A 17 135.896 5.673 2.185 1.00 0.00 C ATOM 194 C GLY A 17 137.255 5.085 2.515 1.00 0.00 C ATOM 195 O GLY A 17 137.399 4.345 3.488 1.00 0.00 O ATOM 0 H GLY A 17 135.993 4.550 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 17 135.970 6.760 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 17 135.191 5.419 2.977 1.00 0.00 H new ATOM 199 N LEU A 18 138.253 5.417 1.703 1.00 0.00 N ATOM 200 CA LEU A 18 139.607 4.918 1.913 1.00 0.00 C ATOM 201 C LEU A 18 140.527 6.030 2.407 1.00 0.00 C ATOM 202 O LEU A 18 140.851 6.956 1.663 1.00 0.00 O ATOM 203 CB LEU A 18 140.160 4.320 0.618 1.00 0.00 C ATOM 204 CG LEU A 18 139.326 3.186 0.021 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.476 3.153 -1.493 1.00 0.00 C ATOM 206 CD2 LEU A 18 139.730 1.851 0.628 1.00 0.00 C ATOM 0 H LEU A 18 138.150 6.029 0.894 1.00 0.00 H new ATOM 0 HA LEU A 18 139.566 4.140 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 18 140.248 5.115 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 18 141.167 3.949 0.808 1.00 0.00 H new ATOM 0 HG LEU A 18 138.278 3.368 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.875 2.340 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 18 139.137 4.100 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.523 2.996 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 18 139.126 1.055 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 18 140.784 1.662 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 18 139.570 1.878 1.706 1.00 0.00 H new ATOM 218 N GLU A 19 140.945 5.931 3.664 1.00 0.00 N ATOM 219 CA GLU A 19 141.830 6.927 4.257 1.00 0.00 C ATOM 220 C GLU A 19 142.859 6.267 5.168 1.00 0.00 C ATOM 221 O GLU A 19 142.811 5.059 5.403 1.00 0.00 O ATOM 222 CB GLU A 19 141.017 7.954 5.047 1.00 0.00 C ATOM 223 CG GLU A 19 140.018 7.331 6.010 1.00 0.00 C ATOM 224 CD GLU A 19 138.580 7.626 5.632 1.00 0.00 C ATOM 225 OE1 GLU A 19 138.293 8.777 5.240 1.00 0.00 O ATOM 226 OE2 GLU A 19 137.741 6.705 5.727 1.00 0.00 O ATOM 0 H GLU A 19 140.685 5.171 4.292 1.00 0.00 H new ATOM 0 HA GLU A 19 142.359 7.434 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 19 141.700 8.592 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.482 8.597 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 19 140.169 6.252 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.209 7.704 7.016 1.00 0.00 H new ATOM 233 N VAL A 20 143.791 7.066 5.679 1.00 0.00 N ATOM 234 CA VAL A 20 144.831 6.559 6.564 1.00 0.00 C ATOM 235 C VAL A 20 144.232 5.988 7.845 1.00 0.00 C ATOM 236 O VAL A 20 143.373 6.610 8.471 1.00 0.00 O ATOM 237 CB VAL A 20 145.845 7.660 6.930 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.003 7.079 7.729 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.352 8.359 5.677 1.00 0.00 C ATOM 0 H VAL A 20 143.846 8.068 5.494 1.00 0.00 H new ATOM 0 HA VAL A 20 145.348 5.766 6.023 1.00 0.00 H new ATOM 0 HB VAL A 20 145.339 8.399 7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.708 7.872 7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.623 6.631 8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.509 6.317 7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.067 9.133 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.839 7.632 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.513 8.813 5.149 1.00 0.00 H new ATOM 249 N GLY A 21 144.691 4.802 8.230 1.00 0.00 N ATOM 250 CA GLY A 21 144.189 4.168 9.435 1.00 0.00 C ATOM 251 C GLY A 21 143.139 3.114 9.141 1.00 0.00 C ATOM 252 O GLY A 21 142.996 2.145 9.887 1.00 0.00 O ATOM 0 H GLY A 21 145.402 4.268 7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 21 145.019 3.710 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.764 4.927 10.091 1.00 0.00 H new ATOM 256 N SER A 22 142.400 3.304 8.051 1.00 0.00 N ATOM 257 CA SER A 22 141.358 2.363 7.661 1.00 0.00 C ATOM 258 C SER A 22 141.934 1.233 6.815 1.00 0.00 C ATOM 259 O SER A 22 142.916 1.420 6.095 1.00 0.00 O ATOM 260 CB SER A 22 140.255 3.084 6.886 1.00 0.00 C ATOM 261 OG SER A 22 139.291 3.639 7.764 1.00 0.00 O ATOM 0 H SER A 22 142.505 4.101 7.423 1.00 0.00 H new ATOM 0 HA SER A 22 140.934 1.933 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.693 3.874 6.276 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.770 2.386 6.204 1.00 0.00 H new ATOM 0 HG SER A 22 138.598 4.096 7.243 1.00 0.00 H new ATOM 267 N LEU A 23 141.319 0.059 6.906 1.00 0.00 N ATOM 268 CA LEU A 23 141.771 -1.103 6.149 1.00 0.00 C ATOM 269 C LEU A 23 141.219 -1.074 4.727 1.00 0.00 C ATOM 270 O LEU A 23 140.087 -0.646 4.499 1.00 0.00 O ATOM 271 CB LEU A 23 141.341 -2.394 6.849 1.00 0.00 C ATOM 272 CG LEU A 23 142.012 -2.651 8.199 1.00 0.00 C ATOM 273 CD1 LEU A 23 141.094 -3.458 9.106 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.339 -3.369 8.005 1.00 0.00 C ATOM 0 H LEU A 23 140.506 -0.113 7.497 1.00 0.00 H new ATOM 0 HA LEU A 23 142.859 -1.071 6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.261 -2.368 6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.552 -3.235 6.189 1.00 0.00 H new ATOM 0 HG LEU A 23 142.207 -1.691 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 23 141.588 -3.631 10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 23 140.168 -2.906 9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.867 -4.415 8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.803 -3.544 8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.167 -4.323 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.999 -2.755 7.393 1.00 0.00 H new ATOM 286 N ALA A 24 142.025 -1.531 3.776 1.00 0.00 N ATOM 287 CA ALA A 24 141.617 -1.558 2.376 1.00 0.00 C ATOM 288 C ALA A 24 142.162 -2.794 1.669 1.00 0.00 C ATOM 289 O ALA A 24 143.002 -3.511 2.211 1.00 0.00 O ATOM 290 CB ALA A 24 142.082 -0.294 1.668 1.00 0.00 C ATOM 0 H ALA A 24 142.965 -1.888 3.948 1.00 0.00 H new ATOM 0 HA ALA A 24 140.528 -1.603 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.771 -0.327 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.640 0.577 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.169 -0.226 1.721 1.00 0.00 H new ATOM 296 N GLU A 25 141.678 -3.036 0.456 1.00 0.00 N ATOM 297 CA GLU A 25 142.117 -4.186 -0.326 1.00 0.00 C ATOM 298 C GLU A 25 142.455 -3.774 -1.756 1.00 0.00 C ATOM 299 O GLU A 25 141.823 -2.884 -2.323 1.00 0.00 O ATOM 300 CB GLU A 25 141.032 -5.265 -0.338 1.00 0.00 C ATOM 301 CG GLU A 25 141.479 -6.569 -0.978 1.00 0.00 C ATOM 302 CD GLU A 25 140.325 -7.520 -1.231 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.324 -7.450 -0.486 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.422 -8.335 -2.172 1.00 0.00 O ATOM 0 H GLU A 25 140.982 -2.452 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 25 143.016 -4.589 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.716 -5.462 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.161 -4.887 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 25 141.981 -6.353 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 25 142.210 -7.055 -0.332 1.00 0.00 H new ATOM 311 N VAL A 26 143.459 -4.429 -2.333 1.00 0.00 N ATOM 312 CA VAL A 26 143.882 -4.131 -3.695 1.00 0.00 C ATOM 313 C VAL A 26 143.519 -5.267 -4.644 1.00 0.00 C ATOM 314 O VAL A 26 143.657 -6.442 -4.305 1.00 0.00 O ATOM 315 CB VAL A 26 145.400 -3.881 -3.770 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.791 -3.373 -5.149 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.833 -2.901 -2.690 1.00 0.00 C ATOM 0 H VAL A 26 143.993 -5.169 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 26 143.356 -3.225 -3.998 1.00 0.00 H new ATOM 0 HB VAL A 26 145.914 -4.827 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.867 -3.202 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.518 -4.114 -5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.269 -2.438 -5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.908 -2.736 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.311 -1.954 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.590 -3.310 -1.709 1.00 0.00 H new ATOM 327 N LYS A 27 143.052 -4.909 -5.837 1.00 0.00 N ATOM 328 CA LYS A 27 142.669 -5.900 -6.836 1.00 0.00 C ATOM 329 C LYS A 27 143.868 -6.308 -7.685 1.00 0.00 C ATOM 330 O LYS A 27 144.189 -5.657 -8.680 1.00 0.00 O ATOM 331 CB LYS A 27 141.557 -5.347 -7.731 1.00 0.00 C ATOM 332 CG LYS A 27 140.454 -6.352 -8.020 1.00 0.00 C ATOM 333 CD LYS A 27 139.652 -6.674 -6.770 1.00 0.00 C ATOM 334 CE LYS A 27 138.931 -5.445 -6.239 1.00 0.00 C ATOM 335 NZ LYS A 27 139.738 -4.727 -5.213 1.00 0.00 N ATOM 0 H LYS A 27 142.930 -3.941 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 27 142.300 -6.783 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 27 141.121 -4.469 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 27 141.992 -5.016 -8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 27 139.790 -5.954 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 27 140.890 -7.268 -8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 27 138.925 -7.455 -6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 27 140.317 -7.068 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 27 138.710 -4.769 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 27 137.976 -5.743 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 139.221 -4.714 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 140.648 -5.214 -5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 139.910 -3.751 -5.527 1.00 0.00 H new ATOM 349 N GLU A 28 144.529 -7.390 -7.286 1.00 0.00 N ATOM 350 CA GLU A 28 145.694 -7.886 -8.010 1.00 0.00 C ATOM 351 C GLU A 28 145.709 -9.411 -8.036 1.00 0.00 C ATOM 352 O GLU A 28 144.797 -10.059 -7.525 1.00 0.00 O ATOM 353 CB GLU A 28 146.980 -7.360 -7.368 1.00 0.00 C ATOM 354 CG GLU A 28 147.981 -6.812 -8.372 1.00 0.00 C ATOM 355 CD GLU A 28 149.350 -6.580 -7.762 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.538 -5.534 -7.106 1.00 0.00 O ATOM 357 OE2 GLU A 28 150.233 -7.446 -7.941 1.00 0.00 O ATOM 0 H GLU A 28 144.278 -7.940 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 28 145.635 -7.525 -9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.726 -6.575 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.449 -8.165 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 28 148.072 -7.508 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 28 147.605 -5.874 -8.780 1.00 0.00 H new ATOM 364 N ASN A 29 146.752 -9.977 -8.635 1.00 0.00 N ATOM 365 CA ASN A 29 146.886 -11.426 -8.726 1.00 0.00 C ATOM 366 C ASN A 29 146.958 -12.052 -7.335 1.00 0.00 C ATOM 367 O ASN A 29 146.123 -12.880 -6.974 1.00 0.00 O ATOM 368 CB ASN A 29 148.133 -11.794 -9.533 1.00 0.00 C ATOM 369 CG ASN A 29 147.812 -12.105 -10.982 1.00 0.00 C ATOM 370 OD1 ASN A 29 147.758 -13.268 -11.382 1.00 0.00 O ATOM 371 ND2 ASN A 29 147.598 -11.063 -11.777 1.00 0.00 N ATOM 0 H ASN A 29 147.516 -9.455 -9.064 1.00 0.00 H new ATOM 0 HA ASN A 29 146.006 -11.818 -9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.846 -10.971 -9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 29 148.616 -12.658 -9.077 1.00 0.00 H new ATOM 0 HD21 ASN A 29 147.379 -11.210 -12.762 1.00 0.00 H new ATOM 0 HD22 ASN A 29 147.653 -10.116 -11.402 1.00 0.00 H new ATOM 378 N PRO A 30 147.964 -11.661 -6.533 1.00 0.00 N ATOM 379 CA PRO A 30 148.142 -12.186 -5.177 1.00 0.00 C ATOM 380 C PRO A 30 147.167 -11.559 -4.180 1.00 0.00 C ATOM 381 O PRO A 30 147.291 -10.383 -3.839 1.00 0.00 O ATOM 382 CB PRO A 30 149.577 -11.785 -4.840 1.00 0.00 C ATOM 383 CG PRO A 30 149.809 -10.537 -5.617 1.00 0.00 C ATOM 384 CD PRO A 30 149.006 -10.676 -6.885 1.00 0.00 C ATOM 0 HA PRO A 30 147.955 -13.258 -5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.701 -11.615 -3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.284 -12.565 -5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.493 -9.661 -5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.868 -10.408 -5.839 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.571 -9.724 -7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.623 -11.024 -7.713 1.00 0.00 H new ATOM 392 N PRO A 31 146.181 -12.338 -3.697 1.00 0.00 N ATOM 393 CA PRO A 31 145.190 -11.843 -2.736 1.00 0.00 C ATOM 394 C PRO A 31 145.794 -11.586 -1.360 1.00 0.00 C ATOM 395 O PRO A 31 146.067 -12.521 -0.606 1.00 0.00 O ATOM 396 CB PRO A 31 144.165 -12.976 -2.667 1.00 0.00 C ATOM 397 CG PRO A 31 144.925 -14.198 -3.043 1.00 0.00 C ATOM 398 CD PRO A 31 145.955 -13.754 -4.044 1.00 0.00 C ATOM 0 HA PRO A 31 144.768 -10.886 -3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.741 -13.066 -1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.334 -12.800 -3.351 1.00 0.00 H new ATOM 0 HG2 PRO A 31 145.398 -14.647 -2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 31 144.264 -14.952 -3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 31 146.871 -14.339 -3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 31 145.595 -13.865 -5.067 1.00 0.00 H new ATOM 406 N PHE A 32 146.001 -10.313 -1.038 1.00 0.00 N ATOM 407 CA PHE A 32 146.574 -9.933 0.248 1.00 0.00 C ATOM 408 C PHE A 32 145.715 -8.877 0.935 1.00 0.00 C ATOM 409 O PHE A 32 144.802 -8.315 0.330 1.00 0.00 O ATOM 410 CB PHE A 32 147.998 -9.406 0.061 1.00 0.00 C ATOM 411 CG PHE A 32 148.118 -8.373 -1.023 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.530 -7.127 -0.877 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.820 -8.648 -2.186 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.641 -6.173 -1.873 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.933 -7.700 -3.184 1.00 0.00 C ATOM 416 CZ PHE A 32 148.342 -6.460 -3.028 1.00 0.00 C ATOM 0 H PHE A 32 145.780 -9.527 -1.650 1.00 0.00 H new ATOM 0 HA PHE A 32 146.603 -10.820 0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.344 -8.976 1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.659 -10.242 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 32 146.979 -6.898 0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.284 -9.615 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 32 147.180 -5.205 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.483 -7.927 -4.086 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.428 -5.717 -3.807 1.00 0.00 H new ATOM 426 N TYR A 33 146.012 -8.612 2.203 1.00 0.00 N ATOM 427 CA TYR A 33 145.266 -7.623 2.973 1.00 0.00 C ATOM 428 C TYR A 33 146.213 -6.681 3.708 1.00 0.00 C ATOM 429 O TYR A 33 147.222 -7.110 4.269 1.00 0.00 O ATOM 430 CB TYR A 33 144.340 -8.318 3.973 1.00 0.00 C ATOM 431 CG TYR A 33 143.079 -8.869 3.348 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.257 -8.064 2.568 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.709 -10.196 3.538 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.103 -8.566 1.996 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.557 -10.703 2.969 1.00 0.00 C ATOM 436 CZ TYR A 33 140.758 -9.885 2.199 1.00 0.00 C ATOM 437 OH TYR A 33 139.610 -10.387 1.630 1.00 0.00 O ATOM 0 H TYR A 33 146.764 -9.068 2.719 1.00 0.00 H new ATOM 0 HA TYR A 33 144.664 -7.036 2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.883 -9.132 4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.068 -7.610 4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.524 -7.030 2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.332 -10.840 4.140 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.475 -7.928 1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.283 -11.736 3.127 1.00 0.00 H new ATOM 0 HH TYR A 33 139.513 -11.332 1.869 1.00 0.00 H new ATOM 447 N GLY A 34 145.881 -5.394 3.704 1.00 0.00 N ATOM 448 CA GLY A 34 146.711 -4.411 4.374 1.00 0.00 C ATOM 449 C GLY A 34 145.948 -3.149 4.725 1.00 0.00 C ATOM 450 O GLY A 34 144.896 -2.873 4.150 1.00 0.00 O ATOM 0 H GLY A 34 145.051 -5.014 3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.123 -4.848 5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.555 -4.155 3.733 1.00 0.00 H new ATOM 454 N VAL A 35 146.480 -2.382 5.671 1.00 0.00 N ATOM 455 CA VAL A 35 145.842 -1.143 6.098 1.00 0.00 C ATOM 456 C VAL A 35 146.536 0.070 5.486 1.00 0.00 C ATOM 457 O VAL A 35 147.743 0.052 5.247 1.00 0.00 O ATOM 458 CB VAL A 35 145.848 -1.009 7.635 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.273 -0.996 8.169 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.095 0.240 8.067 1.00 0.00 C ATOM 0 H VAL A 35 147.351 -2.597 6.156 1.00 0.00 H new ATOM 0 HA VAL A 35 144.810 -1.180 5.750 1.00 0.00 H new ATOM 0 HB VAL A 35 145.338 -1.875 8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.254 -0.901 9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.773 -1.925 7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.815 -0.153 7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.111 0.316 9.154 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.571 1.120 7.634 1.00 0.00 H new ATOM 0 HG23 VAL A 35 144.063 0.180 7.722 1.00 0.00 H new ATOM 470 N ILE A 36 145.764 1.122 5.233 1.00 0.00 N ATOM 471 CA ILE A 36 146.305 2.343 4.648 1.00 0.00 C ATOM 472 C ILE A 36 147.257 3.039 5.615 1.00 0.00 C ATOM 473 O ILE A 36 147.061 3.001 6.830 1.00 0.00 O ATOM 474 CB ILE A 36 145.182 3.324 4.253 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.129 2.611 3.400 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.758 4.516 3.505 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.990 3.510 2.971 1.00 0.00 C ATOM 0 H ILE A 36 144.763 1.153 5.424 1.00 0.00 H new ATOM 0 HA ILE A 36 146.851 2.050 3.752 1.00 0.00 H new ATOM 0 HB ILE A 36 144.702 3.688 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.610 2.199 2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.725 1.770 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.953 5.199 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.474 5.035 4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.261 4.170 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.282 2.939 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.484 3.902 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.382 4.338 2.380 1.00 0.00 H new ATOM 489 N ARG A 37 148.287 3.674 5.067 1.00 0.00 N ATOM 490 CA ARG A 37 149.271 4.379 5.882 1.00 0.00 C ATOM 491 C ARG A 37 149.476 5.804 5.378 1.00 0.00 C ATOM 492 O ARG A 37 149.174 6.769 6.080 1.00 0.00 O ATOM 493 CB ARG A 37 150.604 3.626 5.872 1.00 0.00 C ATOM 494 CG ARG A 37 150.463 2.137 6.139 1.00 0.00 C ATOM 495 CD ARG A 37 149.863 1.870 7.511 1.00 0.00 C ATOM 496 NE ARG A 37 150.865 1.945 8.571 1.00 0.00 N ATOM 497 CZ ARG A 37 150.616 1.661 9.847 1.00 0.00 C ATOM 498 NH1 ARG A 37 149.401 1.284 10.226 1.00 0.00 N ATOM 499 NH2 ARG A 37 151.585 1.755 10.749 1.00 0.00 N ATOM 0 H ARG A 37 148.463 3.715 4.063 1.00 0.00 H new ATOM 0 HA ARG A 37 148.894 4.425 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.085 3.769 4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.263 4.061 6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.833 1.687 5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.441 1.660 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 37 149.072 2.594 7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 37 149.401 0.883 7.519 1.00 0.00 H new ATOM 0 HE ARG A 37 151.811 2.232 8.318 1.00 0.00 H new ATOM 0 HH11 ARG A 37 148.652 1.211 9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.217 1.068 11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 37 152.521 2.045 10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 37 151.394 1.537 11.727 1.00 0.00 H new ATOM 513 N TRP A 38 149.989 5.929 4.158 1.00 0.00 N ATOM 514 CA TRP A 38 150.233 7.238 3.563 1.00 0.00 C ATOM 515 C TRP A 38 149.491 7.382 2.237 1.00 0.00 C ATOM 516 O TRP A 38 149.514 6.481 1.399 1.00 0.00 O ATOM 517 CB TRP A 38 151.735 7.456 3.349 1.00 0.00 C ATOM 518 CG TRP A 38 152.054 8.673 2.533 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.277 9.938 2.997 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.180 8.741 1.107 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.534 10.787 1.947 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.480 10.075 0.777 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.068 7.801 0.079 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.669 10.492 -0.540 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.256 8.216 -1.226 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.554 9.551 -1.526 1.00 0.00 C ATOM 0 H TRP A 38 150.243 5.141 3.563 1.00 0.00 H new ATOM 0 HA TRP A 38 149.859 7.996 4.251 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.223 7.541 4.320 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.155 6.579 2.857 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.255 10.229 4.037 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.733 11.784 2.026 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.839 6.769 0.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 152.898 11.521 -0.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.172 7.498 -2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.696 9.843 -2.556 1.00 0.00 H new ATOM 537 N ILE A 39 148.842 8.527 2.055 1.00 0.00 N ATOM 538 CA ILE A 39 148.100 8.803 0.831 1.00 0.00 C ATOM 539 C ILE A 39 148.544 10.127 0.223 1.00 0.00 C ATOM 540 O ILE A 39 148.213 11.197 0.735 1.00 0.00 O ATOM 541 CB ILE A 39 146.583 8.851 1.090 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.137 7.619 1.880 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.824 8.946 -0.225 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.728 7.725 2.420 1.00 0.00 C ATOM 0 H ILE A 39 148.815 9.281 2.742 1.00 0.00 H new ATOM 0 HA ILE A 39 148.311 7.991 0.136 1.00 0.00 H new ATOM 0 HB ILE A 39 146.360 9.739 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.206 6.741 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.825 7.461 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.753 8.979 -0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.123 9.852 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.052 8.076 -0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.479 6.817 2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.658 8.583 3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.030 7.852 1.593 1.00 0.00 H new ATOM 556 N GLY A 40 149.303 10.051 -0.866 1.00 0.00 N ATOM 557 CA GLY A 40 149.784 11.256 -1.513 1.00 0.00 C ATOM 558 C GLY A 40 150.325 11.000 -2.905 1.00 0.00 C ATOM 559 O GLY A 40 150.197 9.896 -3.437 1.00 0.00 O ATOM 0 H GLY A 40 149.592 9.179 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 40 148.972 11.980 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.567 11.704 -0.901 1.00 0.00 H new ATOM 563 N GLN A 41 150.931 12.024 -3.494 1.00 0.00 N ATOM 564 CA GLN A 41 151.497 11.918 -4.833 1.00 0.00 C ATOM 565 C GLN A 41 152.964 12.346 -4.832 1.00 0.00 C ATOM 566 O GLN A 41 153.276 13.509 -4.574 1.00 0.00 O ATOM 567 CB GLN A 41 150.698 12.783 -5.807 1.00 0.00 C ATOM 568 CG GLN A 41 149.196 12.573 -5.716 1.00 0.00 C ATOM 569 CD GLN A 41 148.417 13.867 -5.845 1.00 0.00 C ATOM 570 OE1 GLN A 41 147.802 14.074 -7.002 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 148.369 14.671 -4.914 1.00 0.00 N flip ATOM 0 H GLN A 41 151.043 12.941 -3.063 1.00 0.00 H new ATOM 0 HA GLN A 41 151.442 10.877 -5.152 1.00 0.00 H new ATOM 0 HB2 GLN A 41 150.922 13.832 -5.616 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.026 12.568 -6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 41 148.881 11.884 -6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 41 148.956 12.102 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.858 14.471 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.841 15.538 -5.015 1.00 0.00 H new ATOM 580 N PRO A 42 153.889 11.412 -5.117 1.00 0.00 N ATOM 581 CA PRO A 42 155.326 11.708 -5.142 1.00 0.00 C ATOM 582 C PRO A 42 155.671 12.825 -6.122 1.00 0.00 C ATOM 583 O PRO A 42 154.902 13.119 -7.038 1.00 0.00 O ATOM 584 CB PRO A 42 155.961 10.387 -5.590 1.00 0.00 C ATOM 585 CG PRO A 42 154.953 9.346 -5.249 1.00 0.00 C ATOM 586 CD PRO A 42 153.614 10.000 -5.435 1.00 0.00 C ATOM 0 HA PRO A 42 155.684 12.058 -4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.177 10.394 -6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.905 10.207 -5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 42 155.056 8.475 -5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 42 155.080 8.999 -4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.244 9.880 -6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.862 9.576 -4.770 1.00 0.00 H new ATOM 594 N PRO A 43 156.841 13.463 -5.943 1.00 0.00 N ATOM 595 CA PRO A 43 157.286 14.551 -6.816 1.00 0.00 C ATOM 596 C PRO A 43 157.707 14.053 -8.193 1.00 0.00 C ATOM 597 O PRO A 43 158.879 13.762 -8.429 1.00 0.00 O ATOM 598 CB PRO A 43 158.488 15.132 -6.072 1.00 0.00 C ATOM 599 CG PRO A 43 159.013 14.001 -5.259 1.00 0.00 C ATOM 600 CD PRO A 43 157.817 13.173 -4.876 1.00 0.00 C ATOM 0 HA PRO A 43 156.491 15.273 -7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.242 15.504 -6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.195 15.971 -5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.729 13.410 -5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.534 14.366 -4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.061 12.112 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.433 13.452 -3.895 1.00 0.00 H new ATOM 608 N GLY A 44 156.742 13.956 -9.102 1.00 0.00 N ATOM 609 CA GLY A 44 157.035 13.493 -10.444 1.00 0.00 C ATOM 610 C GLY A 44 155.815 12.935 -11.146 1.00 0.00 C ATOM 611 O GLY A 44 155.511 13.319 -12.275 1.00 0.00 O ATOM 0 H GLY A 44 155.764 14.190 -8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.440 14.319 -11.029 1.00 0.00 H new ATOM 0 HA3 GLY A 44 157.807 12.725 -10.399 1.00 0.00 H new ATOM 615 N LEU A 45 155.112 12.028 -10.476 1.00 0.00 N ATOM 616 CA LEU A 45 153.916 11.419 -11.047 1.00 0.00 C ATOM 617 C LEU A 45 152.704 11.673 -10.162 1.00 0.00 C ATOM 618 O LEU A 45 152.622 11.161 -9.045 1.00 0.00 O ATOM 619 CB LEU A 45 154.123 9.914 -11.228 1.00 0.00 C ATOM 620 CG LEU A 45 154.702 9.190 -10.012 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.398 7.699 -10.079 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.202 9.431 -9.913 1.00 0.00 C ATOM 0 H LEU A 45 155.349 11.699 -9.540 1.00 0.00 H new ATOM 0 HA LEU A 45 153.735 11.874 -12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.166 9.459 -11.481 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.787 9.753 -12.078 1.00 0.00 H new ATOM 0 HG LEU A 45 154.231 9.592 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.819 7.202 -9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.319 7.548 -10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.839 7.278 -10.983 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.598 8.909 -9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.691 9.058 -10.813 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.393 10.499 -9.813 1.00 0.00 H new ATOM 634 N ASN A 46 151.760 12.464 -10.662 1.00 0.00 N ATOM 635 CA ASN A 46 150.556 12.771 -9.903 1.00 0.00 C ATOM 636 C ASN A 46 149.628 11.563 -9.860 1.00 0.00 C ATOM 637 O ASN A 46 149.007 11.207 -10.861 1.00 0.00 O ATOM 638 CB ASN A 46 149.829 13.967 -10.521 1.00 0.00 C ATOM 639 CG ASN A 46 148.973 14.709 -9.514 1.00 0.00 C ATOM 640 OD1 ASN A 46 147.746 14.622 -9.540 1.00 0.00 O ATOM 641 ND2 ASN A 46 149.619 15.445 -8.617 1.00 0.00 N ATOM 0 H ASN A 46 151.806 12.901 -11.583 1.00 0.00 H new ATOM 0 HA ASN A 46 150.848 13.023 -8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.561 14.653 -10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.201 13.622 -11.342 1.00 0.00 H new ATOM 0 HD21 ASN A 46 149.096 15.966 -7.913 1.00 0.00 H new ATOM 0 HD22 ASN A 46 150.638 15.489 -8.632 1.00 0.00 H new ATOM 648 N GLU A 47 149.543 10.935 -8.693 1.00 0.00 N ATOM 649 CA GLU A 47 148.693 9.766 -8.511 1.00 0.00 C ATOM 650 C GLU A 47 148.523 9.444 -7.031 1.00 0.00 C ATOM 651 O GLU A 47 149.502 9.193 -6.327 1.00 0.00 O ATOM 652 CB GLU A 47 149.286 8.558 -9.243 1.00 0.00 C ATOM 653 CG GLU A 47 150.801 8.468 -9.150 1.00 0.00 C ATOM 654 CD GLU A 47 151.389 7.499 -10.156 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.498 7.871 -11.345 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.742 6.370 -9.757 1.00 0.00 O ATOM 0 H GLU A 47 150.054 11.217 -7.857 1.00 0.00 H new ATOM 0 HA GLU A 47 147.713 9.991 -8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.851 7.647 -8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 47 148.998 8.604 -10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.231 9.457 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 47 151.082 8.157 -8.144 1.00 0.00 H new ATOM 663 N VAL A 48 147.281 9.445 -6.564 1.00 0.00 N ATOM 664 CA VAL A 48 146.998 9.146 -5.167 1.00 0.00 C ATOM 665 C VAL A 48 147.382 7.708 -4.839 1.00 0.00 C ATOM 666 O VAL A 48 146.654 6.771 -5.164 1.00 0.00 O ATOM 667 CB VAL A 48 145.510 9.358 -4.832 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.280 9.261 -3.332 1.00 0.00 C ATOM 669 CG2 VAL A 48 145.028 10.698 -5.367 1.00 0.00 C ATOM 0 H VAL A 48 146.457 9.649 -7.130 1.00 0.00 H new ATOM 0 HA VAL A 48 147.593 9.833 -4.565 1.00 0.00 H new ATOM 0 HB VAL A 48 144.932 8.570 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.223 9.414 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.584 8.275 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.868 10.025 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 48 143.974 10.830 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.610 11.501 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.154 10.724 -6.449 1.00 0.00 H new ATOM 679 N LEU A 49 148.535 7.539 -4.201 1.00 0.00 N ATOM 680 CA LEU A 49 149.018 6.214 -3.836 1.00 0.00 C ATOM 681 C LEU A 49 148.878 5.981 -2.338 1.00 0.00 C ATOM 682 O LEU A 49 149.538 6.638 -1.532 1.00 0.00 O ATOM 683 CB LEU A 49 150.480 6.046 -4.256 1.00 0.00 C ATOM 684 CG LEU A 49 150.733 6.129 -5.763 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.125 6.676 -6.041 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.556 4.763 -6.408 1.00 0.00 C ATOM 0 H LEU A 49 149.152 8.303 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 49 148.411 5.476 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 49 151.075 6.813 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.838 5.082 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 49 150.003 6.812 -6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.287 6.728 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.216 7.674 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.870 6.019 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.740 4.840 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 49 151.263 4.059 -5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.539 4.410 -6.239 1.00 0.00 H new ATOM 698 N ALA A 50 148.016 5.041 -1.969 1.00 0.00 N ATOM 699 CA ALA A 50 147.792 4.725 -0.567 1.00 0.00 C ATOM 700 C ALA A 50 148.710 3.597 -0.106 1.00 0.00 C ATOM 701 O ALA A 50 148.601 2.465 -0.577 1.00 0.00 O ATOM 702 CB ALA A 50 146.334 4.353 -0.335 1.00 0.00 C ATOM 0 H ALA A 50 147.462 4.486 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 50 148.026 5.612 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.181 4.119 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.696 5.190 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.080 3.483 -0.940 1.00 0.00 H new ATOM 708 N GLY A 51 149.612 3.914 0.815 1.00 0.00 N ATOM 709 CA GLY A 51 150.535 2.916 1.323 1.00 0.00 C ATOM 710 C GLY A 51 149.844 1.863 2.167 1.00 0.00 C ATOM 711 O GLY A 51 149.329 2.161 3.245 1.00 0.00 O ATOM 0 H GLY A 51 149.721 4.844 1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.039 2.433 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.305 3.407 1.919 1.00 0.00 H new ATOM 715 N LEU A 52 149.831 0.629 1.676 1.00 0.00 N ATOM 716 CA LEU A 52 149.197 -0.472 2.394 1.00 0.00 C ATOM 717 C LEU A 52 150.243 -1.373 3.043 1.00 0.00 C ATOM 718 O LEU A 52 151.202 -1.795 2.395 1.00 0.00 O ATOM 719 CB LEU A 52 148.321 -1.291 1.444 1.00 0.00 C ATOM 720 CG LEU A 52 147.056 -0.582 0.958 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.413 -1.358 -0.180 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.072 -0.402 2.105 1.00 0.00 C ATOM 0 H LEU A 52 150.251 0.365 0.785 1.00 0.00 H new ATOM 0 HA LEU A 52 148.572 -0.048 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.917 -1.573 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 52 148.032 -2.214 1.946 1.00 0.00 H new ATOM 0 HG LEU A 52 147.335 0.404 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.514 -0.838 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.115 -1.436 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.147 -2.357 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.178 0.104 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.799 -1.378 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.534 0.197 2.890 1.00 0.00 H new ATOM 734 N GLU A 53 150.052 -1.664 4.326 1.00 0.00 N ATOM 735 CA GLU A 53 150.978 -2.514 5.063 1.00 0.00 C ATOM 736 C GLU A 53 150.455 -3.945 5.146 1.00 0.00 C ATOM 737 O GLU A 53 149.489 -4.223 5.858 1.00 0.00 O ATOM 738 CB GLU A 53 151.204 -1.959 6.470 1.00 0.00 C ATOM 739 CG GLU A 53 152.193 -2.769 7.292 1.00 0.00 C ATOM 740 CD GLU A 53 151.825 -2.820 8.762 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.789 -3.436 9.095 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.571 -2.244 9.581 1.00 0.00 O ATOM 0 H GLU A 53 149.264 -1.323 4.876 1.00 0.00 H new ATOM 0 HA GLU A 53 151.927 -2.524 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.563 -0.933 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.250 -1.925 6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.242 -3.784 6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.188 -2.337 7.185 1.00 0.00 H new ATOM 749 N LEU A 54 151.097 -4.848 4.413 1.00 0.00 N ATOM 750 CA LEU A 54 150.696 -6.250 4.404 1.00 0.00 C ATOM 751 C LEU A 54 150.964 -6.903 5.757 1.00 0.00 C ATOM 752 O LEU A 54 152.037 -6.735 6.335 1.00 0.00 O ATOM 753 CB LEU A 54 151.439 -7.008 3.302 1.00 0.00 C ATOM 754 CG LEU A 54 151.377 -6.362 1.917 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.577 -6.778 1.080 1.00 0.00 C ATOM 756 CD2 LEU A 54 150.080 -6.734 1.215 1.00 0.00 C ATOM 0 H LEU A 54 151.897 -4.634 3.818 1.00 0.00 H new ATOM 0 HA LEU A 54 149.625 -6.294 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.485 -7.108 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 54 151.029 -8.016 3.235 1.00 0.00 H new ATOM 0 HG LEU A 54 151.404 -5.279 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.516 -6.309 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.494 -6.462 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.582 -7.862 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 54 150.052 -6.266 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 54 150.024 -7.817 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.233 -6.386 1.807 1.00 0.00 H new ATOM 768 N GLU A 55 149.981 -7.645 6.255 1.00 0.00 N ATOM 769 CA GLU A 55 150.112 -8.323 7.540 1.00 0.00 C ATOM 770 C GLU A 55 151.134 -9.452 7.459 1.00 0.00 C ATOM 771 O GLU A 55 151.849 -9.725 8.422 1.00 0.00 O ATOM 772 CB GLU A 55 148.758 -8.876 7.988 1.00 0.00 C ATOM 773 CG GLU A 55 147.661 -7.825 8.049 1.00 0.00 C ATOM 774 CD GLU A 55 146.606 -8.144 9.089 1.00 0.00 C ATOM 775 OE1 GLU A 55 146.273 -9.338 9.250 1.00 0.00 O ATOM 776 OE2 GLU A 55 146.111 -7.202 9.743 1.00 0.00 O ATOM 0 H GLU A 55 149.086 -7.792 5.789 1.00 0.00 H new ATOM 0 HA GLU A 55 150.460 -7.595 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.454 -9.667 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.869 -9.331 8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 55 148.105 -6.855 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 55 147.188 -7.742 7.071 1.00 0.00 H new ATOM 783 N ASP A 56 151.196 -10.104 6.302 1.00 0.00 N ATOM 784 CA ASP A 56 152.131 -11.204 6.095 1.00 0.00 C ATOM 785 C ASP A 56 153.441 -10.699 5.500 1.00 0.00 C ATOM 786 O ASP A 56 153.443 -9.875 4.585 1.00 0.00 O ATOM 787 CB ASP A 56 151.513 -12.260 5.178 1.00 0.00 C ATOM 788 CG ASP A 56 151.896 -13.671 5.579 1.00 0.00 C ATOM 789 OD1 ASP A 56 151.612 -14.057 6.733 1.00 0.00 O ATOM 790 OD2 ASP A 56 152.482 -14.388 4.741 1.00 0.00 O ATOM 0 H ASP A 56 150.611 -9.890 5.495 1.00 0.00 H new ATOM 0 HA ASP A 56 152.344 -11.655 7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.428 -12.162 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 56 151.832 -12.078 4.152 1.00 0.00 H new ATOM 795 N GLU A 57 154.555 -11.200 6.023 1.00 0.00 N ATOM 796 CA GLU A 57 155.873 -10.799 5.543 1.00 0.00 C ATOM 797 C GLU A 57 156.191 -11.467 4.209 1.00 0.00 C ATOM 798 O GLU A 57 156.569 -12.637 4.163 1.00 0.00 O ATOM 799 CB GLU A 57 156.945 -11.158 6.573 1.00 0.00 C ATOM 800 CG GLU A 57 157.202 -10.058 7.591 1.00 0.00 C ATOM 801 CD GLU A 57 158.675 -9.895 7.913 1.00 0.00 C ATOM 802 OE1 GLU A 57 159.507 -10.090 7.002 1.00 0.00 O ATOM 803 OE2 GLU A 57 158.996 -9.573 9.076 1.00 0.00 O ATOM 0 H GLU A 57 154.572 -11.884 6.779 1.00 0.00 H new ATOM 0 HA GLU A 57 155.866 -9.719 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 57 156.644 -12.065 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 57 157.876 -11.385 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 57 156.811 -9.115 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.656 -10.281 8.508 1.00 0.00 H new ATOM 810 N CYS A 58 156.035 -10.715 3.125 1.00 0.00 N ATOM 811 CA CYS A 58 156.305 -11.234 1.789 1.00 0.00 C ATOM 812 C CYS A 58 157.612 -10.668 1.241 1.00 0.00 C ATOM 813 O CYS A 58 157.877 -9.472 1.350 1.00 0.00 O ATOM 814 CB CYS A 58 155.153 -10.892 0.844 1.00 0.00 C ATOM 815 SG CYS A 58 154.828 -12.155 -0.409 1.00 0.00 S ATOM 0 H CYS A 58 155.723 -9.744 3.145 1.00 0.00 H new ATOM 0 HA CYS A 58 156.399 -12.318 1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.248 -10.737 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.374 -9.949 0.345 1.00 0.00 H new ATOM 0 HG CYS A 58 153.836 -11.777 -1.159 1.00 0.00 H new ATOM 821 N ALA A 59 158.424 -11.538 0.649 1.00 0.00 N ATOM 822 CA ALA A 59 159.704 -11.127 0.083 1.00 0.00 C ATOM 823 C ALA A 59 159.504 -10.336 -1.206 1.00 0.00 C ATOM 824 O ALA A 59 158.946 -10.845 -2.177 1.00 0.00 O ATOM 825 CB ALA A 59 160.583 -12.342 -0.172 1.00 0.00 C ATOM 0 H ALA A 59 158.218 -12.532 0.549 1.00 0.00 H new ATOM 0 HA ALA A 59 160.201 -10.478 0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.535 -12.020 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.761 -12.866 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.084 -13.012 -0.872 1.00 0.00 H new ATOM 831 N GLY A 60 159.964 -9.090 -1.206 1.00 0.00 N ATOM 832 CA GLY A 60 159.828 -8.249 -2.381 1.00 0.00 C ATOM 833 C GLY A 60 159.332 -6.857 -2.044 1.00 0.00 C ATOM 834 O GLY A 60 159.634 -5.895 -2.751 1.00 0.00 O ATOM 0 H GLY A 60 160.429 -8.647 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 60 160.792 -8.176 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 60 159.137 -8.718 -3.081 1.00 0.00 H new ATOM 838 N CYS A 61 158.569 -6.749 -0.961 1.00 0.00 N ATOM 839 CA CYS A 61 158.030 -5.464 -0.533 1.00 0.00 C ATOM 840 C CYS A 61 159.088 -4.647 0.201 1.00 0.00 C ATOM 841 O CYS A 61 160.199 -5.122 0.439 1.00 0.00 O ATOM 842 CB CYS A 61 156.814 -5.674 0.372 1.00 0.00 C ATOM 843 SG CYS A 61 155.538 -6.739 -0.343 1.00 0.00 S ATOM 0 H CYS A 61 158.311 -7.535 -0.365 1.00 0.00 H new ATOM 0 HA CYS A 61 157.723 -4.913 -1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.147 -6.107 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.375 -4.704 0.604 1.00 0.00 H new ATOM 0 HG CYS A 61 155.210 -7.659 0.515 1.00 0.00 H new ATOM 849 N THR A 62 158.736 -3.416 0.557 1.00 0.00 N ATOM 850 CA THR A 62 159.656 -2.532 1.265 1.00 0.00 C ATOM 851 C THR A 62 159.205 -2.320 2.707 1.00 0.00 C ATOM 852 O THR A 62 158.208 -2.893 3.147 1.00 0.00 O ATOM 853 CB THR A 62 159.755 -1.186 0.546 1.00 0.00 C ATOM 854 OG1 THR A 62 158.468 -0.633 0.336 1.00 0.00 O ATOM 855 CG2 THR A 62 160.441 -1.276 -0.800 1.00 0.00 C ATOM 0 H THR A 62 157.821 -3.008 0.367 1.00 0.00 H new ATOM 0 HA THR A 62 160.639 -3.004 1.277 1.00 0.00 H new ATOM 0 HB THR A 62 160.354 -0.553 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.553 0.228 -0.124 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.478 -0.287 -1.256 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.455 -1.652 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 62 159.885 -1.954 -1.447 1.00 0.00 H new ATOM 863 N ASP A 63 159.946 -1.492 3.437 1.00 0.00 N ATOM 864 CA ASP A 63 159.622 -1.204 4.830 1.00 0.00 C ATOM 865 C ASP A 63 158.872 0.118 4.951 1.00 0.00 C ATOM 866 O ASP A 63 158.994 0.823 5.953 1.00 0.00 O ATOM 867 CB ASP A 63 160.897 -1.160 5.673 1.00 0.00 C ATOM 868 CG ASP A 63 161.958 -0.260 5.071 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.917 0.962 5.329 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.830 -0.775 4.341 1.00 0.00 O ATOM 0 H ASP A 63 160.774 -1.009 3.088 1.00 0.00 H new ATOM 0 HA ASP A 63 158.978 -2.002 5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.654 -0.810 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.296 -2.169 5.776 1.00 0.00 H new ATOM 875 N GLY A 64 158.097 0.449 3.923 1.00 0.00 N ATOM 876 CA GLY A 64 157.338 1.687 3.936 1.00 0.00 C ATOM 877 C GLY A 64 158.086 2.832 3.282 1.00 0.00 C ATOM 878 O GLY A 64 158.057 3.960 3.772 1.00 0.00 O ATOM 0 H GLY A 64 157.981 -0.117 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.390 1.534 3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.101 1.953 4.966 1.00 0.00 H new ATOM 882 N THR A 65 158.759 2.540 2.173 1.00 0.00 N ATOM 883 CA THR A 65 159.518 3.555 1.451 1.00 0.00 C ATOM 884 C THR A 65 159.186 3.527 -0.037 1.00 0.00 C ATOM 885 O THR A 65 159.401 2.520 -0.712 1.00 0.00 O ATOM 886 CB THR A 65 161.018 3.339 1.654 1.00 0.00 C ATOM 887 OG1 THR A 65 161.361 1.979 1.450 1.00 0.00 O ATOM 888 CG2 THR A 65 161.498 3.730 3.036 1.00 0.00 C ATOM 0 H THR A 65 158.794 1.610 1.755 1.00 0.00 H new ATOM 0 HA THR A 65 159.241 4.531 1.848 1.00 0.00 H new ATOM 0 HB THR A 65 161.504 3.984 0.922 1.00 0.00 H new ATOM 0 HG1 THR A 65 160.830 1.615 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.571 3.552 3.113 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.293 4.787 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.977 3.133 3.785 1.00 0.00 H new ATOM 896 N PHE A 66 158.661 4.639 -0.541 1.00 0.00 N ATOM 897 CA PHE A 66 158.299 4.742 -1.950 1.00 0.00 C ATOM 898 C PHE A 66 159.221 5.716 -2.679 1.00 0.00 C ATOM 899 O PHE A 66 159.301 6.892 -2.326 1.00 0.00 O ATOM 900 CB PHE A 66 156.845 5.196 -2.093 1.00 0.00 C ATOM 901 CG PHE A 66 156.255 4.906 -3.443 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.891 3.615 -3.791 1.00 0.00 C ATOM 903 CD2 PHE A 66 156.065 5.924 -4.364 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.348 3.345 -5.033 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.523 5.659 -5.607 1.00 0.00 C ATOM 906 CZ PHE A 66 155.163 4.368 -5.943 1.00 0.00 C ATOM 0 H PHE A 66 158.477 5.481 0.005 1.00 0.00 H new ATOM 0 HA PHE A 66 158.411 3.756 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.243 4.704 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.787 6.268 -1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.033 2.811 -3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 66 156.344 6.935 -4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.068 2.335 -5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 66 155.381 6.461 -6.316 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.738 4.159 -6.914 1.00 0.00 H new ATOM 916 N ARG A 67 159.915 5.216 -3.697 1.00 0.00 N ATOM 917 CA ARG A 67 160.832 6.041 -4.475 1.00 0.00 C ATOM 918 C ARG A 67 161.929 6.620 -3.587 1.00 0.00 C ATOM 919 O ARG A 67 162.433 7.715 -3.841 1.00 0.00 O ATOM 920 CB ARG A 67 160.070 7.173 -5.166 1.00 0.00 C ATOM 921 CG ARG A 67 158.877 6.694 -5.979 1.00 0.00 C ATOM 922 CD ARG A 67 159.187 6.672 -7.467 1.00 0.00 C ATOM 923 NE ARG A 67 158.148 5.989 -8.234 1.00 0.00 N ATOM 924 CZ ARG A 67 158.009 6.095 -9.553 1.00 0.00 C ATOM 925 NH1 ARG A 67 158.840 6.854 -10.257 1.00 0.00 N ATOM 926 NH2 ARG A 67 157.035 5.440 -10.172 1.00 0.00 N ATOM 0 H ARG A 67 159.860 4.244 -4.002 1.00 0.00 H new ATOM 0 HA ARG A 67 161.297 5.409 -5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.725 7.881 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 67 160.753 7.713 -5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 67 158.590 5.695 -5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.024 7.347 -5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 67 159.292 7.694 -7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 67 160.143 6.175 -7.630 1.00 0.00 H new ATOM 0 HE ARG A 67 157.490 5.396 -7.728 1.00 0.00 H new ATOM 0 HH11 ARG A 67 159.591 7.360 -9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 67 158.728 6.931 -11.268 1.00 0.00 H new ATOM 0 HH21 ARG A 67 156.393 4.855 -9.637 1.00 0.00 H new ATOM 0 HH22 ARG A 67 156.928 5.521 -11.183 1.00 0.00 H new ATOM 940 N GLY A 68 162.294 5.880 -2.546 1.00 0.00 N ATOM 941 CA GLY A 68 163.328 6.336 -1.637 1.00 0.00 C ATOM 942 C GLY A 68 162.851 7.452 -0.728 1.00 0.00 C ATOM 943 O GLY A 68 163.645 8.277 -0.277 1.00 0.00 O ATOM 0 H GLY A 68 161.892 4.972 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.669 5.498 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.186 6.682 -2.213 1.00 0.00 H new ATOM 947 N THR A 69 161.549 7.477 -0.459 1.00 0.00 N ATOM 948 CA THR A 69 160.967 8.500 0.402 1.00 0.00 C ATOM 949 C THR A 69 160.013 7.879 1.417 1.00 0.00 C ATOM 950 O THR A 69 158.835 7.665 1.126 1.00 0.00 O ATOM 951 CB THR A 69 160.228 9.543 -0.438 1.00 0.00 C ATOM 952 OG1 THR A 69 161.060 10.033 -1.474 1.00 0.00 O ATOM 953 CG2 THR A 69 159.750 10.732 0.367 1.00 0.00 C ATOM 0 H THR A 69 160.878 6.801 -0.825 1.00 0.00 H new ATOM 0 HA THR A 69 161.778 8.988 0.944 1.00 0.00 H new ATOM 0 HB THR A 69 159.358 9.025 -0.841 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.569 10.698 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 69 159.234 11.433 -0.290 1.00 0.00 H new ATOM 0 HG22 THR A 69 159.066 10.393 1.145 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.605 11.228 0.827 1.00 0.00 H new ATOM 961 N ARG A 70 160.528 7.590 2.608 1.00 0.00 N ATOM 962 CA ARG A 70 159.721 6.993 3.665 1.00 0.00 C ATOM 963 C ARG A 70 158.604 7.938 4.097 1.00 0.00 C ATOM 964 O ARG A 70 158.855 9.085 4.463 1.00 0.00 O ATOM 965 CB ARG A 70 160.598 6.640 4.867 1.00 0.00 C ATOM 966 CG ARG A 70 159.836 5.977 6.004 1.00 0.00 C ATOM 967 CD ARG A 70 160.300 6.481 7.361 1.00 0.00 C ATOM 968 NE ARG A 70 160.874 5.412 8.175 1.00 0.00 N ATOM 969 CZ ARG A 70 161.488 5.614 9.338 1.00 0.00 C ATOM 970 NH1 ARG A 70 161.607 6.842 9.829 1.00 0.00 N ATOM 971 NH2 ARG A 70 161.982 4.586 10.014 1.00 0.00 N ATOM 0 H ARG A 70 161.500 7.760 2.865 1.00 0.00 H new ATOM 0 HA ARG A 70 159.270 6.082 3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.397 5.975 4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.072 7.548 5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 70 158.770 6.171 5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 70 159.971 4.897 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 70 161.041 7.268 7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 70 159.457 6.927 7.890 1.00 0.00 H new ATOM 0 HE ARG A 70 160.800 4.454 7.831 1.00 0.00 H new ATOM 0 HH11 ARG A 70 161.227 7.636 9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 70 162.079 6.991 10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 70 161.891 3.640 9.642 1.00 0.00 H new ATOM 0 HH22 ARG A 70 162.453 4.741 10.906 1.00 0.00 H new ATOM 985 N TYR A 71 157.370 7.446 4.052 1.00 0.00 N ATOM 986 CA TYR A 71 156.214 8.246 4.439 1.00 0.00 C ATOM 987 C TYR A 71 155.763 7.901 5.855 1.00 0.00 C ATOM 988 O TYR A 71 155.335 8.772 6.611 1.00 0.00 O ATOM 989 CB TYR A 71 155.062 8.026 3.457 1.00 0.00 C ATOM 990 CG TYR A 71 155.320 8.599 2.082 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.557 9.957 1.908 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.325 7.783 0.958 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.793 10.485 0.652 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.560 8.303 -0.301 1.00 0.00 C ATOM 995 CZ TYR A 71 155.794 9.654 -0.448 1.00 0.00 C ATOM 996 OH TYR A 71 156.028 10.176 -1.700 1.00 0.00 O ATOM 0 H TYR A 71 157.145 6.498 3.752 1.00 0.00 H new ATOM 0 HA TYR A 71 156.506 9.296 4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 71 154.873 6.956 3.366 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.157 8.476 3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.557 10.611 2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.142 6.724 1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.976 11.543 0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.560 7.655 -1.165 1.00 0.00 H new ATOM 0 HH TYR A 71 156.231 9.449 -2.325 1.00 0.00 H new ATOM 1006 N PHE A 72 155.865 6.623 6.207 1.00 0.00 N ATOM 1007 CA PHE A 72 155.467 6.162 7.533 1.00 0.00 C ATOM 1008 C PHE A 72 156.458 5.134 8.069 1.00 0.00 C ATOM 1009 O PHE A 72 157.415 4.764 7.388 1.00 0.00 O ATOM 1010 CB PHE A 72 154.063 5.558 7.486 1.00 0.00 C ATOM 1011 CG PHE A 72 153.887 4.530 6.405 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.603 4.914 5.104 1.00 0.00 C ATOM 1013 CD2 PHE A 72 154.006 3.179 6.690 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.441 3.971 4.108 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.844 2.231 5.697 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.562 2.628 4.405 1.00 0.00 C ATOM 0 H PHE A 72 156.219 5.889 5.594 1.00 0.00 H new ATOM 0 HA PHE A 72 155.462 7.021 8.204 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.841 5.101 8.450 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.337 6.358 7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.507 5.963 4.866 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.228 2.863 7.699 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.220 4.284 3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.938 1.181 5.932 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.436 1.889 3.628 1.00 0.00 H new ATOM 1026 N THR A 73 156.221 4.676 9.294 1.00 0.00 N ATOM 1027 CA THR A 73 157.093 3.690 9.923 1.00 0.00 C ATOM 1028 C THR A 73 156.375 2.353 10.085 1.00 0.00 C ATOM 1029 O THR A 73 155.407 2.245 10.838 1.00 0.00 O ATOM 1030 CB THR A 73 157.569 4.194 11.287 1.00 0.00 C ATOM 1031 OG1 THR A 73 157.769 5.596 11.260 1.00 0.00 O ATOM 1032 CG2 THR A 73 158.861 3.554 11.744 1.00 0.00 C ATOM 0 H THR A 73 155.433 4.971 9.871 1.00 0.00 H new ATOM 0 HA THR A 73 157.958 3.542 9.276 1.00 0.00 H new ATOM 0 HB THR A 73 156.780 3.921 11.988 1.00 0.00 H new ATOM 0 HG1 THR A 73 158.071 5.900 12.141 1.00 0.00 H new ATOM 0 HG21 THR A 73 159.142 3.956 12.718 1.00 0.00 H new ATOM 0 HG22 THR A 73 158.725 2.475 11.822 1.00 0.00 H new ATOM 0 HG23 THR A 73 159.649 3.769 11.022 1.00 0.00 H new ATOM 1040 N CYS A 74 156.856 1.339 9.374 1.00 0.00 N ATOM 1041 CA CYS A 74 156.259 0.010 9.438 1.00 0.00 C ATOM 1042 C CYS A 74 157.337 -1.069 9.474 1.00 0.00 C ATOM 1043 O CYS A 74 158.530 -0.770 9.420 1.00 0.00 O ATOM 1044 CB CYS A 74 155.333 -0.215 8.241 1.00 0.00 C ATOM 1045 SG CYS A 74 153.621 0.290 8.527 1.00 0.00 S ATOM 0 H CYS A 74 157.657 1.412 8.747 1.00 0.00 H new ATOM 0 HA CYS A 74 155.675 -0.055 10.356 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.724 0.334 7.384 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.349 -1.272 7.976 1.00 0.00 H new ATOM 0 HG CYS A 74 153.026 -0.594 9.272 1.00 0.00 H new ATOM 1051 N ALA A 75 156.908 -2.324 9.562 1.00 0.00 N ATOM 1052 CA ALA A 75 157.836 -3.447 9.604 1.00 0.00 C ATOM 1053 C ALA A 75 158.524 -3.641 8.257 1.00 0.00 C ATOM 1054 O ALA A 75 158.192 -2.974 7.277 1.00 0.00 O ATOM 1055 CB ALA A 75 157.108 -4.718 10.014 1.00 0.00 C ATOM 0 H ALA A 75 155.924 -2.588 9.606 1.00 0.00 H new ATOM 0 HA ALA A 75 158.603 -3.225 10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.813 -5.549 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.668 -4.583 11.002 1.00 0.00 H new ATOM 0 HB3 ALA A 75 156.320 -4.935 9.293 1.00 0.00 H new ATOM 1061 N LEU A 76 159.485 -4.558 8.216 1.00 0.00 N ATOM 1062 CA LEU A 76 160.222 -4.840 6.989 1.00 0.00 C ATOM 1063 C LEU A 76 159.471 -5.846 6.123 1.00 0.00 C ATOM 1064 O LEU A 76 158.917 -6.822 6.628 1.00 0.00 O ATOM 1065 CB LEU A 76 161.617 -5.374 7.317 1.00 0.00 C ATOM 1066 CG LEU A 76 162.644 -4.307 7.700 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.639 -4.860 8.709 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.367 -3.795 6.463 1.00 0.00 C ATOM 0 H LEU A 76 159.772 -5.119 9.018 1.00 0.00 H new ATOM 0 HA LEU A 76 160.320 -3.908 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.533 -6.087 8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.991 -5.924 6.454 1.00 0.00 H new ATOM 0 HG LEU A 76 162.116 -3.472 8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.361 -4.086 8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 76 163.108 -5.178 9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 76 164.161 -5.713 8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 76 164.094 -3.037 6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.882 -4.622 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.644 -3.359 5.773 1.00 0.00 H new ATOM 1080 N LYS A 77 159.456 -5.600 4.817 1.00 0.00 N ATOM 1081 CA LYS A 77 158.773 -6.486 3.881 1.00 0.00 C ATOM 1082 C LYS A 77 157.282 -6.563 4.193 1.00 0.00 C ATOM 1083 O LYS A 77 156.676 -7.632 4.119 1.00 0.00 O ATOM 1084 CB LYS A 77 159.390 -7.885 3.928 1.00 0.00 C ATOM 1085 CG LYS A 77 160.875 -7.906 3.603 1.00 0.00 C ATOM 1086 CD LYS A 77 161.118 -7.884 2.103 1.00 0.00 C ATOM 1087 CE LYS A 77 162.543 -7.467 1.776 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.090 -8.220 0.614 1.00 0.00 N ATOM 0 H LYS A 77 159.908 -4.795 4.383 1.00 0.00 H new ATOM 0 HA LYS A 77 158.894 -6.077 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 77 159.238 -8.307 4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.863 -8.529 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.361 -7.046 4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.330 -8.798 4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 77 160.922 -8.872 1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.418 -7.195 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.568 -6.399 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.178 -7.632 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.063 -7.906 0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.090 -9.238 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 162.499 -8.043 -0.223 1.00 0.00 H new ATOM 1102 N LYS A 78 156.696 -5.423 4.544 1.00 0.00 N ATOM 1103 CA LYS A 78 155.275 -5.362 4.868 1.00 0.00 C ATOM 1104 C LYS A 78 154.692 -4.001 4.500 1.00 0.00 C ATOM 1105 O LYS A 78 153.843 -3.465 5.212 1.00 0.00 O ATOM 1106 CB LYS A 78 155.058 -5.638 6.357 1.00 0.00 C ATOM 1107 CG LYS A 78 155.577 -6.994 6.806 1.00 0.00 C ATOM 1108 CD LYS A 78 155.301 -7.234 8.282 1.00 0.00 C ATOM 1109 CE LYS A 78 154.066 -8.098 8.483 1.00 0.00 C ATOM 1110 NZ LYS A 78 153.349 -7.755 9.743 1.00 0.00 N ATOM 0 H LYS A 78 157.183 -4.529 4.611 1.00 0.00 H new ATOM 0 HA LYS A 78 154.761 -6.127 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.551 -4.859 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.993 -5.575 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 78 155.107 -7.779 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.649 -7.054 6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 78 156.163 -7.717 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 78 155.164 -6.278 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.392 -7.971 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.357 -9.148 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.486 -8.330 9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.966 -7.948 10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 153.093 -6.747 9.734 1.00 0.00 H new ATOM 1124 N ALA A 79 155.152 -3.448 3.382 1.00 0.00 N ATOM 1125 CA ALA A 79 154.674 -2.151 2.920 1.00 0.00 C ATOM 1126 C ALA A 79 154.599 -2.103 1.397 1.00 0.00 C ATOM 1127 O ALA A 79 155.621 -2.002 0.719 1.00 0.00 O ATOM 1128 CB ALA A 79 155.576 -1.041 3.440 1.00 0.00 C ATOM 0 H ALA A 79 155.854 -3.878 2.780 1.00 0.00 H new ATOM 0 HA ALA A 79 153.668 -2.002 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.208 -0.078 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.576 -1.053 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.591 -1.197 3.076 1.00 0.00 H new ATOM 1134 N LEU A 80 153.382 -2.177 0.868 1.00 0.00 N ATOM 1135 CA LEU A 80 153.172 -2.143 -0.576 1.00 0.00 C ATOM 1136 C LEU A 80 152.306 -0.951 -0.970 1.00 0.00 C ATOM 1137 O LEU A 80 151.157 -0.836 -0.541 1.00 0.00 O ATOM 1138 CB LEU A 80 152.518 -3.443 -1.047 1.00 0.00 C ATOM 1139 CG LEU A 80 152.189 -3.497 -2.540 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.449 -3.741 -3.356 1.00 0.00 C ATOM 1141 CD2 LEU A 80 151.155 -4.579 -2.817 1.00 0.00 C ATOM 0 H LEU A 80 152.526 -2.261 1.417 1.00 0.00 H new ATOM 0 HA LEU A 80 154.144 -2.038 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 80 153.181 -4.274 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.598 -3.595 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 80 151.770 -2.535 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 80 153.195 -3.776 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 80 154.159 -2.933 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.897 -4.689 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.932 -4.604 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.548 -5.547 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 80 150.243 -4.362 -2.261 1.00 0.00 H new ATOM 1153 N PHE A 81 152.863 -0.066 -1.789 1.00 0.00 N ATOM 1154 CA PHE A 81 152.142 1.118 -2.242 1.00 0.00 C ATOM 1155 C PHE A 81 151.299 0.803 -3.473 1.00 0.00 C ATOM 1156 O PHE A 81 151.736 0.083 -4.371 1.00 0.00 O ATOM 1157 CB PHE A 81 153.123 2.249 -2.557 1.00 0.00 C ATOM 1158 CG PHE A 81 153.763 2.847 -1.336 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.883 2.260 -0.768 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.243 3.993 -0.757 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.473 2.808 0.355 1.00 0.00 C ATOM 1162 CE2 PHE A 81 153.829 4.545 0.367 1.00 0.00 C ATOM 1163 CZ PHE A 81 154.946 3.952 0.923 1.00 0.00 C ATOM 0 H PHE A 81 153.812 -0.146 -2.153 1.00 0.00 H new ATOM 0 HA PHE A 81 151.477 1.437 -1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.903 1.869 -3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.598 3.033 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.299 1.365 -1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.370 4.460 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.346 2.342 0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.414 5.438 0.810 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.407 4.382 1.800 1.00 0.00 H new ATOM 1173 N VAL A 82 150.087 1.347 -3.509 1.00 0.00 N ATOM 1174 CA VAL A 82 149.182 1.124 -4.631 1.00 0.00 C ATOM 1175 C VAL A 82 148.297 2.342 -4.873 1.00 0.00 C ATOM 1176 O VAL A 82 148.200 3.229 -4.027 1.00 0.00 O ATOM 1177 CB VAL A 82 148.288 -0.107 -4.394 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.115 -1.382 -4.425 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.539 0.021 -3.077 1.00 0.00 C ATOM 0 H VAL A 82 149.709 1.945 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 82 149.803 0.949 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 82 147.554 -0.159 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.466 -2.241 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.598 -1.479 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 82 149.875 -1.342 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 82 146.913 -0.859 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.254 0.101 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 82 146.913 0.913 -3.100 1.00 0.00 H new ATOM 1189 N LYS A 83 147.652 2.375 -6.035 1.00 0.00 N ATOM 1190 CA LYS A 83 146.774 3.484 -6.390 1.00 0.00 C ATOM 1191 C LYS A 83 145.517 3.482 -5.528 1.00 0.00 C ATOM 1192 O LYS A 83 144.750 2.518 -5.530 1.00 0.00 O ATOM 1193 CB LYS A 83 146.392 3.406 -7.870 1.00 0.00 C ATOM 1194 CG LYS A 83 147.588 3.405 -8.808 1.00 0.00 C ATOM 1195 CD LYS A 83 147.168 3.152 -10.247 1.00 0.00 C ATOM 1196 CE LYS A 83 147.976 3.993 -11.220 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.286 3.250 -12.472 1.00 0.00 N ATOM 0 H LYS A 83 147.721 1.647 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 83 147.314 4.413 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.808 2.501 -8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.749 4.251 -8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 83 148.104 4.363 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.297 2.638 -8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.296 2.096 -10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.108 3.378 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.422 4.899 -11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.905 4.306 -10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 148.838 3.859 -13.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 148.837 2.398 -12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 147.399 2.973 -12.940 1.00 0.00 H new ATOM 1211 N LEU A 84 145.313 4.569 -4.792 1.00 0.00 N ATOM 1212 CA LEU A 84 144.151 4.700 -3.922 1.00 0.00 C ATOM 1213 C LEU A 84 142.856 4.573 -4.719 1.00 0.00 C ATOM 1214 O LEU A 84 141.863 4.038 -4.227 1.00 0.00 O ATOM 1215 CB LEU A 84 144.189 6.045 -3.194 1.00 0.00 C ATOM 1216 CG LEU A 84 142.978 6.339 -2.308 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.141 5.682 -0.946 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.780 7.840 -2.158 1.00 0.00 C ATOM 0 H LEU A 84 145.939 5.374 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 84 144.181 3.895 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.087 6.082 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.278 6.839 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 84 142.092 5.921 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.270 5.902 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.234 4.603 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 84 144.037 6.069 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.914 8.031 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.667 8.280 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.617 8.285 -3.139 1.00 0.00 H new ATOM 1230 N LYS A 85 142.875 5.070 -5.951 1.00 0.00 N ATOM 1231 CA LYS A 85 141.701 5.014 -6.815 1.00 0.00 C ATOM 1232 C LYS A 85 141.332 3.569 -7.138 1.00 0.00 C ATOM 1233 O LYS A 85 140.173 3.263 -7.421 1.00 0.00 O ATOM 1234 CB LYS A 85 141.958 5.788 -8.109 1.00 0.00 C ATOM 1235 CG LYS A 85 143.098 5.223 -8.941 1.00 0.00 C ATOM 1236 CD LYS A 85 143.604 6.236 -9.955 1.00 0.00 C ATOM 1237 CE LYS A 85 144.941 5.817 -10.542 1.00 0.00 C ATOM 1238 NZ LYS A 85 145.553 6.900 -11.362 1.00 0.00 N ATOM 0 H LYS A 85 143.689 5.516 -6.374 1.00 0.00 H new ATOM 0 HA LYS A 85 140.867 5.473 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 85 141.048 5.789 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 85 142.179 6.827 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.915 4.924 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.761 4.325 -9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 85 142.873 6.347 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 85 143.705 7.211 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 85 145.622 5.544 -9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 85 144.804 4.928 -11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 146.104 6.479 -12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 144.803 7.502 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 146.180 7.476 -10.764 1.00 0.00 H new ATOM 1252 N SER A 86 142.322 2.682 -7.094 1.00 0.00 N ATOM 1253 CA SER A 86 142.098 1.271 -7.381 1.00 0.00 C ATOM 1254 C SER A 86 142.057 0.453 -6.095 1.00 0.00 C ATOM 1255 O SER A 86 142.443 -0.716 -6.079 1.00 0.00 O ATOM 1256 CB SER A 86 143.194 0.737 -8.305 1.00 0.00 C ATOM 1257 OG SER A 86 143.269 1.496 -9.499 1.00 0.00 O ATOM 0 H SER A 86 143.287 2.917 -6.862 1.00 0.00 H new ATOM 0 HA SER A 86 141.134 1.176 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.154 0.767 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 86 142.994 -0.307 -8.546 1.00 0.00 H new ATOM 0 HG SER A 86 143.978 1.136 -10.072 1.00 0.00 H new ATOM 1263 N CYS A 87 141.587 1.075 -5.018 1.00 0.00 N ATOM 1264 CA CYS A 87 141.496 0.404 -3.726 1.00 0.00 C ATOM 1265 C CYS A 87 140.043 0.114 -3.366 1.00 0.00 C ATOM 1266 O CYS A 87 139.125 0.737 -3.901 1.00 0.00 O ATOM 1267 CB CYS A 87 142.143 1.260 -2.637 1.00 0.00 C ATOM 1268 SG CYS A 87 143.948 1.167 -2.600 1.00 0.00 S ATOM 0 H CYS A 87 141.263 2.042 -5.014 1.00 0.00 H new ATOM 0 HA CYS A 87 142.030 -0.544 -3.798 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.846 2.299 -2.782 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.754 0.950 -1.667 1.00 0.00 H new ATOM 0 HG CYS A 87 144.430 1.645 -3.709 1.00 0.00 H new ATOM 1274 N ARG A 88 139.840 -0.834 -2.458 1.00 0.00 N ATOM 1275 CA ARG A 88 138.497 -1.205 -2.028 1.00 0.00 C ATOM 1276 C ARG A 88 138.413 -1.271 -0.503 1.00 0.00 C ATOM 1277 O ARG A 88 139.296 -1.826 0.151 1.00 0.00 O ATOM 1278 CB ARG A 88 138.102 -2.555 -2.631 1.00 0.00 C ATOM 1279 CG ARG A 88 137.308 -2.435 -3.921 1.00 0.00 C ATOM 1280 CD ARG A 88 135.810 -2.459 -3.658 1.00 0.00 C ATOM 1281 NE ARG A 88 135.049 -1.912 -4.778 1.00 0.00 N ATOM 1282 CZ ARG A 88 133.789 -1.490 -4.682 1.00 0.00 C ATOM 1283 NH1 ARG A 88 133.148 -1.550 -3.522 1.00 0.00 N ATOM 1284 NH2 ARG A 88 133.171 -1.005 -5.749 1.00 0.00 N ATOM 0 H ARG A 88 140.588 -1.359 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 88 137.804 -0.441 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 88 139.004 -3.136 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.513 -3.111 -1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.575 -1.508 -4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.574 -3.253 -4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.491 -3.484 -3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.591 -1.886 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 88 135.509 -1.849 -5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 88 133.620 -1.921 -2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 88 132.183 -1.225 -3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 88 133.660 -0.955 -6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 88 132.206 -0.682 -5.677 1.00 0.00 H new ATOM 1298 N PRO A 89 137.344 -0.704 0.089 1.00 0.00 N ATOM 1299 CA PRO A 89 137.157 -0.707 1.544 1.00 0.00 C ATOM 1300 C PRO A 89 137.223 -2.113 2.132 1.00 0.00 C ATOM 1301 O PRO A 89 136.564 -3.031 1.646 1.00 0.00 O ATOM 1302 CB PRO A 89 135.757 -0.117 1.729 1.00 0.00 C ATOM 1303 CG PRO A 89 135.519 0.693 0.503 1.00 0.00 C ATOM 1304 CD PRO A 89 136.239 -0.019 -0.608 1.00 0.00 C ATOM 0 HA PRO A 89 137.939 -0.145 2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 89 135.008 -0.902 1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.703 0.499 2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.453 0.774 0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.897 1.708 0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.587 -0.726 -1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.608 0.678 -1.360 1.00 0.00 H new ATOM 1312 N ASP A 90 138.021 -2.273 3.183 1.00 0.00 N ATOM 1313 CA ASP A 90 138.172 -3.568 3.838 1.00 0.00 C ATOM 1314 C ASP A 90 137.378 -3.612 5.140 1.00 0.00 C ATOM 1315 O ASP A 90 137.759 -2.992 6.133 1.00 0.00 O ATOM 1316 CB ASP A 90 139.648 -3.854 4.116 1.00 0.00 C ATOM 1317 CG ASP A 90 139.948 -5.339 4.174 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.764 -6.022 3.144 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.366 -5.819 5.248 1.00 0.00 O ATOM 0 H ASP A 90 138.573 -1.523 3.599 1.00 0.00 H new ATOM 0 HA ASP A 90 137.782 -4.335 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.257 -3.393 3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.933 -3.391 5.061 1.00 0.00 H new ATOM 1324 N SER A 91 136.274 -4.352 5.129 1.00 0.00 N ATOM 1325 CA SER A 91 135.426 -4.478 6.310 1.00 0.00 C ATOM 1326 C SER A 91 135.724 -5.774 7.057 1.00 0.00 C ATOM 1327 O SER A 91 134.840 -6.355 7.688 1.00 0.00 O ATOM 1328 CB SER A 91 133.950 -4.434 5.911 1.00 0.00 C ATOM 1329 OG SER A 91 133.158 -3.879 6.947 1.00 0.00 O ATOM 0 H SER A 91 135.945 -4.873 4.316 1.00 0.00 H new ATOM 0 HA SER A 91 135.641 -3.640 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.833 -3.843 5.003 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.602 -5.441 5.682 1.00 0.00 H new ATOM 0 HG SER A 91 133.215 -2.901 6.914 1.00 0.00 H new ATOM 1335 N ARG A 92 136.972 -6.223 6.981 1.00 0.00 N ATOM 1336 CA ARG A 92 137.384 -7.451 7.650 1.00 0.00 C ATOM 1337 C ARG A 92 137.327 -7.291 9.166 1.00 0.00 C ATOM 1338 O ARG A 92 137.085 -8.254 9.893 1.00 0.00 O ATOM 1339 CB ARG A 92 138.798 -7.842 7.220 1.00 0.00 C ATOM 1340 CG ARG A 92 138.835 -8.741 5.995 1.00 0.00 C ATOM 1341 CD ARG A 92 140.147 -9.503 5.902 1.00 0.00 C ATOM 1342 NE ARG A 92 140.288 -10.485 6.976 1.00 0.00 N ATOM 1343 CZ ARG A 92 139.667 -11.663 6.989 1.00 0.00 C ATOM 1344 NH1 ARG A 92 138.865 -12.010 5.991 1.00 0.00 N ATOM 1345 NH2 ARG A 92 139.851 -12.496 8.004 1.00 0.00 N ATOM 0 H ARG A 92 137.716 -5.755 6.463 1.00 0.00 H new ATOM 0 HA ARG A 92 136.692 -8.242 7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.369 -6.937 7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 92 139.293 -8.350 8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.005 -9.447 6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 92 138.698 -8.139 5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 92 140.205 -10.009 4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 92 140.978 -8.799 5.943 1.00 0.00 H new ATOM 0 HE ARG A 92 140.897 -10.254 7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 92 138.721 -11.373 5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 92 138.392 -12.914 6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 92 140.467 -12.234 8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 92 139.376 -13.399 8.016 1.00 0.00 H new ATOM 1359 N PHE A 93 137.554 -6.068 9.637 1.00 0.00 N ATOM 1360 CA PHE A 93 137.528 -5.782 11.067 1.00 0.00 C ATOM 1361 C PHE A 93 136.525 -4.678 11.385 1.00 0.00 C ATOM 1362 O PHE A 93 136.707 -3.917 12.335 1.00 0.00 O ATOM 1363 CB PHE A 93 138.921 -5.377 11.551 1.00 0.00 C ATOM 1364 CG PHE A 93 139.888 -6.524 11.626 1.00 0.00 C ATOM 1365 CD1 PHE A 93 140.221 -7.243 10.489 1.00 0.00 C ATOM 1366 CD2 PHE A 93 140.464 -6.884 12.834 1.00 0.00 C ATOM 1367 CE1 PHE A 93 141.111 -8.298 10.555 1.00 0.00 C ATOM 1368 CE2 PHE A 93 141.354 -7.938 12.907 1.00 0.00 C ATOM 1369 CZ PHE A 93 141.677 -8.646 11.765 1.00 0.00 C ATOM 0 H PHE A 93 137.758 -5.260 9.049 1.00 0.00 H new ATOM 0 HA PHE A 93 137.218 -6.688 11.588 1.00 0.00 H new ATOM 0 HB2 PHE A 93 139.323 -4.617 10.881 1.00 0.00 H new ATOM 0 HB3 PHE A 93 138.835 -4.920 12.537 1.00 0.00 H new ATOM 0 HD1 PHE A 93 139.780 -6.976 9.540 1.00 0.00 H new ATOM 0 HD2 PHE A 93 140.214 -6.334 13.729 1.00 0.00 H new ATOM 0 HE1 PHE A 93 141.363 -8.849 9.661 1.00 0.00 H new ATOM 0 HE2 PHE A 93 141.796 -8.208 13.854 1.00 0.00 H new ATOM 0 HZ PHE A 93 142.372 -9.471 11.819 1.00 0.00 H new ATOM 1379 N ALA A 94 135.467 -4.596 10.586 1.00 0.00 N ATOM 1380 CA ALA A 94 134.436 -3.584 10.785 1.00 0.00 C ATOM 1381 C ALA A 94 133.274 -4.138 11.602 1.00 0.00 C ATOM 1382 O ALA A 94 132.658 -5.136 11.227 1.00 0.00 O ATOM 1383 CB ALA A 94 133.940 -3.064 9.444 1.00 0.00 C ATOM 0 H ALA A 94 135.301 -5.218 9.795 1.00 0.00 H new ATOM 0 HA ALA A 94 134.876 -2.757 11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 94 133.171 -2.309 9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 94 134.771 -2.621 8.895 1.00 0.00 H new ATOM 0 HB3 ALA A 94 133.522 -3.888 8.866 1.00 0.00 H new ATOM 1389 N SER A 95 132.980 -3.485 12.721 1.00 0.00 N ATOM 1390 CA SER A 95 131.891 -3.913 13.593 1.00 0.00 C ATOM 1391 C SER A 95 130.740 -2.913 13.557 1.00 0.00 C ATOM 1392 O SER A 95 130.944 -1.724 13.314 1.00 0.00 O ATOM 1393 CB SER A 95 132.394 -4.078 15.028 1.00 0.00 C ATOM 1394 OG SER A 95 131.383 -4.612 15.865 1.00 0.00 O ATOM 0 H SER A 95 133.480 -2.658 13.046 1.00 0.00 H new ATOM 0 HA SER A 95 131.525 -4.874 13.231 1.00 0.00 H new ATOM 0 HB2 SER A 95 133.264 -4.735 15.038 1.00 0.00 H new ATOM 0 HB3 SER A 95 132.719 -3.113 15.416 1.00 0.00 H new ATOM 0 HG SER A 95 131.730 -4.709 16.776 1.00 0.00 H new ATOM 1400 N LEU A 96 129.529 -3.404 13.802 1.00 0.00 N ATOM 1401 CA LEU A 96 128.344 -2.554 13.798 1.00 0.00 C ATOM 1402 C LEU A 96 127.403 -2.931 14.938 1.00 0.00 C ATOM 1403 O LEU A 96 126.670 -3.916 14.852 1.00 0.00 O ATOM 1404 CB LEU A 96 127.616 -2.665 12.456 1.00 0.00 C ATOM 1405 CG LEU A 96 127.763 -1.451 11.537 1.00 0.00 C ATOM 1406 CD1 LEU A 96 129.230 -1.182 11.239 1.00 0.00 C ATOM 1407 CD2 LEU A 96 126.985 -1.664 10.247 1.00 0.00 C ATOM 0 H LEU A 96 129.343 -4.386 14.006 1.00 0.00 H new ATOM 0 HA LEU A 96 128.664 -1.522 13.943 1.00 0.00 H new ATOM 0 HB2 LEU A 96 127.986 -3.546 11.931 1.00 0.00 H new ATOM 0 HB3 LEU A 96 126.556 -2.830 12.648 1.00 0.00 H new ATOM 0 HG LEU A 96 127.352 -0.580 12.047 1.00 0.00 H new ATOM 0 HD11 LEU A 96 129.315 -0.315 10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 96 129.761 -0.986 12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 96 129.667 -2.052 10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 96 127.100 -0.791 9.604 1.00 0.00 H new ATOM 0 HD22 LEU A 96 127.367 -2.546 9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 96 125.930 -1.808 10.478 1.00 0.00 H new ATOM 1419 N GLN A 97 127.429 -2.139 16.006 1.00 0.00 N ATOM 1420 CA GLN A 97 126.577 -2.389 17.163 1.00 0.00 C ATOM 1421 C GLN A 97 126.881 -3.753 17.778 1.00 0.00 C ATOM 1422 O GLN A 97 126.251 -4.753 17.433 1.00 0.00 O ATOM 1423 CB GLN A 97 125.102 -2.314 16.763 1.00 0.00 C ATOM 1424 CG GLN A 97 124.743 -1.048 16.001 1.00 0.00 C ATOM 1425 CD GLN A 97 124.686 0.175 16.897 1.00 0.00 C ATOM 1426 OE1 GLN A 97 123.756 0.338 17.686 1.00 0.00 O ATOM 1427 NE2 GLN A 97 125.684 1.041 16.778 1.00 0.00 N ATOM 0 H GLN A 97 128.030 -1.320 16.094 1.00 0.00 H new ATOM 0 HA GLN A 97 126.783 -1.620 17.908 1.00 0.00 H new ATOM 0 HB2 GLN A 97 124.856 -3.180 16.149 1.00 0.00 H new ATOM 0 HB3 GLN A 97 124.487 -2.375 17.661 1.00 0.00 H new ATOM 0 HG2 GLN A 97 125.477 -0.882 15.212 1.00 0.00 H new ATOM 0 HG3 GLN A 97 123.777 -1.183 15.514 1.00 0.00 H new ATOM 0 HE21 GLN A 97 126.435 0.865 16.110 1.00 0.00 H new ATOM 0 HE22 GLN A 97 125.701 1.882 17.354 1.00 0.00 H new ATOM 1436 N PRO A 98 127.854 -3.812 18.702 1.00 0.00 N ATOM 1437 CA PRO A 98 128.239 -5.063 19.366 1.00 0.00 C ATOM 1438 C PRO A 98 127.043 -5.789 19.971 1.00 0.00 C ATOM 1439 O PRO A 98 127.044 -7.014 20.094 1.00 0.00 O ATOM 1440 CB PRO A 98 129.197 -4.602 20.467 1.00 0.00 C ATOM 1441 CG PRO A 98 129.755 -3.315 19.969 1.00 0.00 C ATOM 1442 CD PRO A 98 128.656 -2.668 19.173 1.00 0.00 C ATOM 0 HA PRO A 98 128.681 -5.774 18.669 1.00 0.00 H new ATOM 0 HB2 PRO A 98 128.675 -4.467 21.415 1.00 0.00 H new ATOM 0 HB3 PRO A 98 129.985 -5.335 20.639 1.00 0.00 H new ATOM 0 HG2 PRO A 98 130.064 -2.677 20.797 1.00 0.00 H new ATOM 0 HG3 PRO A 98 130.637 -3.485 19.351 1.00 0.00 H new ATOM 0 HD2 PRO A 98 128.064 -1.988 19.785 1.00 0.00 H new ATOM 0 HD3 PRO A 98 129.052 -2.086 18.341 1.00 0.00 H new ATOM 1450 N SER A 99 126.021 -5.025 20.346 1.00 0.00 N ATOM 1451 CA SER A 99 124.818 -5.596 20.940 1.00 0.00 C ATOM 1452 C SER A 99 123.564 -4.983 20.323 1.00 0.00 C ATOM 1453 O SER A 99 123.584 -3.845 19.855 1.00 0.00 O ATOM 1454 CB SER A 99 124.815 -5.377 22.453 1.00 0.00 C ATOM 1455 OG SER A 99 125.417 -6.469 23.127 1.00 0.00 O ATOM 0 H SER A 99 126.003 -4.010 20.249 1.00 0.00 H new ATOM 0 HA SER A 99 124.816 -6.667 20.736 1.00 0.00 H new ATOM 0 HB2 SER A 99 125.351 -4.458 22.692 1.00 0.00 H new ATOM 0 HB3 SER A 99 123.791 -5.249 22.803 1.00 0.00 H new ATOM 0 HG SER A 99 125.404 -6.304 24.093 1.00 0.00 H new ATOM 1461 N GLY A 100 122.475 -5.744 20.327 1.00 0.00 N ATOM 1462 CA GLY A 100 121.229 -5.258 19.766 1.00 0.00 C ATOM 1463 C GLY A 100 120.594 -4.171 20.614 1.00 0.00 C ATOM 1464 O GLY A 100 120.434 -3.039 20.157 1.00 0.00 O ATOM 0 H GLY A 100 122.433 -6.689 20.709 1.00 0.00 H new ATOM 0 HA2 GLY A 100 121.412 -4.872 18.763 1.00 0.00 H new ATOM 0 HA3 GLY A 100 120.531 -6.089 19.665 1.00 0.00 H new ATOM 1468 N PRO A 101 120.221 -4.486 21.866 1.00 0.00 N ATOM 1469 CA PRO A 101 119.600 -3.515 22.773 1.00 0.00 C ATOM 1470 C PRO A 101 120.582 -2.443 23.233 1.00 0.00 C ATOM 1471 O PRO A 101 121.475 -2.709 24.038 1.00 0.00 O ATOM 1472 CB PRO A 101 119.150 -4.372 23.959 1.00 0.00 C ATOM 1473 CG PRO A 101 120.062 -5.549 23.942 1.00 0.00 C ATOM 1474 CD PRO A 101 120.374 -5.812 22.495 1.00 0.00 C ATOM 0 HA PRO A 101 118.788 -2.970 22.292 1.00 0.00 H new ATOM 0 HB2 PRO A 101 119.230 -3.823 24.897 1.00 0.00 H new ATOM 0 HB3 PRO A 101 118.109 -4.676 23.855 1.00 0.00 H new ATOM 0 HG2 PRO A 101 120.972 -5.345 24.506 1.00 0.00 H new ATOM 0 HG3 PRO A 101 119.588 -6.416 24.403 1.00 0.00 H new ATOM 0 HD2 PRO A 101 121.383 -6.204 22.366 1.00 0.00 H new ATOM 0 HD3 PRO A 101 119.691 -6.543 22.063 1.00 0.00 H new ATOM 1482 N SER A 102 120.410 -1.230 22.718 1.00 0.00 N ATOM 1483 CA SER A 102 121.282 -0.117 23.077 1.00 0.00 C ATOM 1484 C SER A 102 120.786 0.576 24.341 1.00 0.00 C ATOM 1485 O SER A 102 121.581 1.051 25.153 1.00 0.00 O ATOM 1486 CB SER A 102 121.358 0.889 21.926 1.00 0.00 C ATOM 1487 OG SER A 102 120.064 1.307 21.527 1.00 0.00 O ATOM 0 H SER A 102 119.675 -0.993 22.051 1.00 0.00 H new ATOM 0 HA SER A 102 122.278 -0.515 23.270 1.00 0.00 H new ATOM 0 HB2 SER A 102 121.944 1.755 22.234 1.00 0.00 H new ATOM 0 HB3 SER A 102 121.875 0.439 21.079 1.00 0.00 H new ATOM 0 HG SER A 102 120.140 1.950 20.792 1.00 0.00 H new ATOM 1493 N SER A 103 119.468 0.630 24.503 1.00 0.00 N ATOM 1494 CA SER A 103 118.867 1.265 25.670 1.00 0.00 C ATOM 1495 C SER A 103 119.270 0.543 26.952 1.00 0.00 C ATOM 1496 O SER A 103 118.782 -0.550 27.240 1.00 0.00 O ATOM 1497 CB SER A 103 117.343 1.283 25.539 1.00 0.00 C ATOM 1498 OG SER A 103 116.799 2.484 26.058 1.00 0.00 O ATOM 0 H SER A 103 118.796 0.242 23.841 1.00 0.00 H new ATOM 0 HA SER A 103 119.233 2.290 25.722 1.00 0.00 H new ATOM 0 HB2 SER A 103 117.064 1.177 24.491 1.00 0.00 H new ATOM 0 HB3 SER A 103 116.920 0.430 26.069 1.00 0.00 H new ATOM 0 HG SER A 103 115.824 2.470 25.960 1.00 0.00 H new ATOM 1504 N GLY A 104 120.165 1.160 27.717 1.00 0.00 N ATOM 1505 CA GLY A 104 120.618 0.561 28.957 1.00 0.00 C ATOM 1506 C GLY A 104 119.539 0.545 30.022 1.00 0.00 C ATOM 1507 O GLY A 104 119.748 -0.103 31.070 1.00 0.00 O ATOM 1508 OXT GLY A 104 118.485 1.179 29.809 1.00 0.00 O ATOM 0 H GLY A 104 120.584 2.064 27.499 1.00 0.00 H new ATOM 0 HA2 GLY A 104 120.949 -0.460 28.764 1.00 0.00 H new ATOM 0 HA3 GLY A 104 121.482 1.112 29.328 1.00 0.00 H new TER 1512 GLY A 104