USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=26 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 62 THR OG1 : rot -178:sc= 0.0804 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.128 USER MOD Set 2.1: A 41 GLN :FLIP amide:sc= -1.21 F(o=-6.7!,f=-2.4) USER MOD Set 2.2: A 46 ASN : amide:sc= -1.23 K(o=-2.4,f=-3.3) USER MOD Single : A 1 GLY N :NH3+ -177:sc= 0 (180deg=-0.0127) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.237 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 -153:sc=-0.000548 (180deg=-0.779) USER MOD Single : A 14 ASN : amide:sc= -0.457 K(o=-0.46,f=-7.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0.888 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 85:sc= 0.0092 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -91:sc= 0.0129 USER MOD Single : A 73 THR OG1 : rot 43:sc= 0.21 USER MOD Single : A 74 CYS SG : rot 120:sc= 0.892 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 1.11 (180deg=0.96) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 73:sc= 0.0409 USER MOD Single : A 91 SER OG : rot 180:sc= -3.14! USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc=-0.000879 X(o=-0.00088,f=-0.34) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0679 USER MOD Single : A 103 SER OG : rot 2:sc= 0.879 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 112.318 9.750 -2.270 1.00 0.00 N ATOM 2 CA GLY A 1 111.240 9.201 -3.139 1.00 0.00 C ATOM 3 C GLY A 1 110.691 7.886 -2.623 1.00 0.00 C ATOM 4 O GLY A 1 109.480 7.663 -2.635 1.00 0.00 O ATOM 0 H1 GLY A 1 112.624 10.673 -2.638 1.00 0.00 H new ATOM 0 H2 GLY A 1 111.958 9.865 -1.301 1.00 0.00 H new ATOM 0 H3 GLY A 1 113.126 9.095 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 1 110.430 9.927 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 1 111.628 9.058 -4.147 1.00 0.00 H new ATOM 10 N SER A 2 111.584 7.013 -2.167 1.00 0.00 N ATOM 11 CA SER A 2 111.182 5.712 -1.643 1.00 0.00 C ATOM 12 C SER A 2 112.008 5.342 -0.415 1.00 0.00 C ATOM 13 O SER A 2 111.463 4.944 0.615 1.00 0.00 O ATOM 14 CB SER A 2 111.337 4.636 -2.718 1.00 0.00 C ATOM 15 OG SER A 2 110.409 4.831 -3.772 1.00 0.00 O ATOM 0 H SER A 2 112.590 7.183 -2.150 1.00 0.00 H new ATOM 0 HA SER A 2 110.134 5.774 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.352 4.657 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 111.188 3.651 -2.275 1.00 0.00 H new ATOM 0 HG SER A 2 110.529 4.131 -4.447 1.00 0.00 H new ATOM 21 N SER A 3 113.325 5.477 -0.531 1.00 0.00 N ATOM 22 CA SER A 3 114.226 5.157 0.571 1.00 0.00 C ATOM 23 C SER A 3 114.354 6.336 1.530 1.00 0.00 C ATOM 24 O SER A 3 114.036 6.223 2.713 1.00 0.00 O ATOM 25 CB SER A 3 115.604 4.770 0.033 1.00 0.00 C ATOM 26 OG SER A 3 116.188 5.838 -0.692 1.00 0.00 O ATOM 0 H SER A 3 113.792 5.806 -1.376 1.00 0.00 H new ATOM 0 HA SER A 3 113.806 4.313 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 3 116.255 4.490 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 3 115.514 3.896 -0.612 1.00 0.00 H new ATOM 0 HG SER A 3 117.069 5.565 -1.024 1.00 0.00 H new ATOM 32 N GLY A 4 114.820 7.466 1.009 1.00 0.00 N ATOM 33 CA GLY A 4 114.983 8.649 1.833 1.00 0.00 C ATOM 34 C GLY A 4 116.174 8.550 2.765 1.00 0.00 C ATOM 35 O GLY A 4 116.069 8.004 3.863 1.00 0.00 O ATOM 0 H GLY A 4 115.087 7.584 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 4 115.101 9.522 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 4 114.078 8.806 2.421 1.00 0.00 H new ATOM 39 N SER A 5 117.312 9.078 2.326 1.00 0.00 N ATOM 40 CA SER A 5 118.529 9.046 3.127 1.00 0.00 C ATOM 41 C SER A 5 119.241 10.395 3.092 1.00 0.00 C ATOM 42 O SER A 5 119.252 11.074 2.066 1.00 0.00 O ATOM 43 CB SER A 5 119.468 7.948 2.623 1.00 0.00 C ATOM 44 OG SER A 5 119.748 8.109 1.244 1.00 0.00 O ATOM 0 H SER A 5 117.416 9.533 1.419 1.00 0.00 H new ATOM 0 HA SER A 5 118.249 8.830 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 5 120.398 7.972 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 5 119.015 6.971 2.794 1.00 0.00 H new ATOM 0 HG SER A 5 120.351 7.396 0.947 1.00 0.00 H new ATOM 50 N SER A 6 119.832 10.776 4.219 1.00 0.00 N ATOM 51 CA SER A 6 120.546 12.044 4.317 1.00 0.00 C ATOM 52 C SER A 6 121.965 11.832 4.834 1.00 0.00 C ATOM 53 O SER A 6 122.531 12.701 5.498 1.00 0.00 O ATOM 54 CB SER A 6 119.794 13.006 5.238 1.00 0.00 C ATOM 55 OG SER A 6 118.457 13.187 4.805 1.00 0.00 O ATOM 0 H SER A 6 119.831 10.225 5.077 1.00 0.00 H new ATOM 0 HA SER A 6 120.604 12.477 3.319 1.00 0.00 H new ATOM 0 HB2 SER A 6 119.800 12.618 6.257 1.00 0.00 H new ATOM 0 HB3 SER A 6 120.306 13.968 5.260 1.00 0.00 H new ATOM 0 HG SER A 6 117.998 13.805 5.411 1.00 0.00 H new ATOM 61 N GLY A 7 122.535 10.671 4.527 1.00 0.00 N ATOM 62 CA GLY A 7 123.883 10.367 4.969 1.00 0.00 C ATOM 63 C GLY A 7 124.017 8.950 5.488 1.00 0.00 C ATOM 64 O GLY A 7 123.400 8.587 6.490 1.00 0.00 O ATOM 0 H GLY A 7 122.087 9.936 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 7 124.576 10.514 4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 7 124.171 11.067 5.753 1.00 0.00 H new ATOM 68 N LEU A 8 124.825 8.144 4.805 1.00 0.00 N ATOM 69 CA LEU A 8 125.038 6.758 5.203 1.00 0.00 C ATOM 70 C LEU A 8 126.306 6.621 6.038 1.00 0.00 C ATOM 71 O LEU A 8 126.247 6.510 7.263 1.00 0.00 O ATOM 72 CB LEU A 8 125.123 5.858 3.969 1.00 0.00 C ATOM 73 CG LEU A 8 123.782 5.319 3.467 1.00 0.00 C ATOM 74 CD1 LEU A 8 123.953 4.629 2.123 1.00 0.00 C ATOM 75 CD2 LEU A 8 123.178 4.364 4.486 1.00 0.00 C ATOM 0 H LEU A 8 125.343 8.428 3.973 1.00 0.00 H new ATOM 0 HA LEU A 8 124.190 6.446 5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 8 125.597 6.417 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 8 125.774 5.014 4.198 1.00 0.00 H new ATOM 0 HG LEU A 8 123.100 6.159 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 8 122.989 4.252 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 8 124.342 5.341 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 8 124.651 3.798 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 8 122.224 3.990 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 8 123.858 3.528 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 8 123.018 4.890 5.427 1.00 0.00 H new ATOM 87 N ALA A 9 127.450 6.628 5.367 1.00 0.00 N ATOM 88 CA ALA A 9 128.735 6.505 6.044 1.00 0.00 C ATOM 89 C ALA A 9 129.891 6.773 5.085 1.00 0.00 C ATOM 90 O ALA A 9 130.601 5.854 4.679 1.00 0.00 O ATOM 91 CB ALA A 9 128.872 5.123 6.665 1.00 0.00 C ATOM 0 H ALA A 9 127.515 6.718 4.353 1.00 0.00 H new ATOM 0 HA ALA A 9 128.774 7.254 6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 9 129.836 5.044 7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 9 128.072 4.968 7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 9 128.807 4.365 5.884 1.00 0.00 H new ATOM 97 N MET A 10 130.074 8.041 4.727 1.00 0.00 N ATOM 98 CA MET A 10 131.144 8.429 3.816 1.00 0.00 C ATOM 99 C MET A 10 131.191 9.946 3.646 1.00 0.00 C ATOM 100 O MET A 10 130.954 10.465 2.554 1.00 0.00 O ATOM 101 CB MET A 10 130.955 7.754 2.457 1.00 0.00 C ATOM 102 CG MET A 10 129.539 7.863 1.913 1.00 0.00 C ATOM 103 SD MET A 10 129.407 9.023 0.539 1.00 0.00 S ATOM 104 CE MET A 10 129.163 7.897 -0.833 1.00 0.00 C ATOM 0 H MET A 10 129.496 8.815 5.054 1.00 0.00 H new ATOM 0 HA MET A 10 132.091 8.102 4.246 1.00 0.00 H new ATOM 0 HB2 MET A 10 131.645 8.199 1.741 1.00 0.00 H new ATOM 0 HB3 MET A 10 131.221 6.701 2.544 1.00 0.00 H new ATOM 0 HG2 MET A 10 129.204 6.879 1.585 1.00 0.00 H new ATOM 0 HG3 MET A 10 128.870 8.178 2.714 1.00 0.00 H new ATOM 0 HE1 MET A 10 129.531 8.356 -1.750 1.00 0.00 H new ATOM 0 HE2 MET A 10 129.709 6.972 -0.646 1.00 0.00 H new ATOM 0 HE3 MET A 10 128.101 7.677 -0.938 1.00 0.00 H new ATOM 114 N PRO A 11 131.502 10.682 4.727 1.00 0.00 N ATOM 115 CA PRO A 11 131.579 12.145 4.688 1.00 0.00 C ATOM 116 C PRO A 11 132.593 12.645 3.660 1.00 0.00 C ATOM 117 O PRO A 11 132.293 13.544 2.875 1.00 0.00 O ATOM 118 CB PRO A 11 132.019 12.534 6.104 1.00 0.00 C ATOM 119 CG PRO A 11 131.698 11.352 6.955 1.00 0.00 C ATOM 120 CD PRO A 11 131.801 10.145 6.065 1.00 0.00 C ATOM 0 HA PRO A 11 130.627 12.587 4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 11 133.084 12.764 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 11 131.491 13.423 6.450 1.00 0.00 H new ATOM 0 HG2 PRO A 11 132.392 11.277 7.792 1.00 0.00 H new ATOM 0 HG3 PRO A 11 130.697 11.438 7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 11 132.795 9.699 6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 11 131.091 9.370 6.355 1.00 0.00 H new ATOM 128 N PRO A 12 133.809 12.066 3.642 1.00 0.00 N ATOM 129 CA PRO A 12 134.853 12.465 2.692 1.00 0.00 C ATOM 130 C PRO A 12 134.377 12.375 1.247 1.00 0.00 C ATOM 131 O PRO A 12 134.926 13.028 0.359 1.00 0.00 O ATOM 132 CB PRO A 12 135.981 11.461 2.945 1.00 0.00 C ATOM 133 CG PRO A 12 135.751 10.969 4.331 1.00 0.00 C ATOM 134 CD PRO A 12 134.262 10.980 4.532 1.00 0.00 C ATOM 0 HA PRO A 12 135.155 13.503 2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 12 135.951 10.643 2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 12 136.959 11.933 2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 12 136.155 9.965 4.461 1.00 0.00 H new ATOM 0 HG3 PRO A 12 136.248 11.609 5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 12 133.812 10.024 4.262 1.00 0.00 H new ATOM 0 HD3 PRO A 12 133.998 11.175 5.571 1.00 0.00 H new ATOM 142 N GLY A 13 133.351 11.559 1.017 1.00 0.00 N ATOM 143 CA GLY A 13 132.818 11.397 -0.322 1.00 0.00 C ATOM 144 C GLY A 13 133.068 10.012 -0.886 1.00 0.00 C ATOM 145 O GLY A 13 132.330 9.545 -1.754 1.00 0.00 O ATOM 0 H GLY A 13 132.881 11.008 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 13 131.746 11.591 -0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 13 133.268 12.140 -0.980 1.00 0.00 H new ATOM 149 N ASN A 14 134.112 9.353 -0.393 1.00 0.00 N ATOM 150 CA ASN A 14 134.459 8.014 -0.854 1.00 0.00 C ATOM 151 C ASN A 14 133.299 7.045 -0.640 1.00 0.00 C ATOM 152 O ASN A 14 132.195 7.453 -0.284 1.00 0.00 O ATOM 153 CB ASN A 14 135.703 7.506 -0.122 1.00 0.00 C ATOM 154 CG ASN A 14 136.823 8.529 -0.108 1.00 0.00 C ATOM 155 OD1 ASN A 14 136.609 9.697 0.216 1.00 0.00 O ATOM 156 ND2 ASN A 14 138.026 8.093 -0.460 1.00 0.00 N ATOM 0 H ASN A 14 134.732 9.725 0.326 1.00 0.00 H new ATOM 0 HA ASN A 14 134.670 8.069 -1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 14 135.438 7.247 0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 14 136.055 6.592 -0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 14 138.819 8.735 -0.469 1.00 0.00 H new ATOM 0 HD22 ASN A 14 138.158 7.116 -0.721 1.00 0.00 H new ATOM 163 N SER A 15 133.559 5.761 -0.861 1.00 0.00 N ATOM 164 CA SER A 15 132.538 4.734 -0.693 1.00 0.00 C ATOM 165 C SER A 15 132.234 4.506 0.785 1.00 0.00 C ATOM 166 O SER A 15 131.163 4.867 1.271 1.00 0.00 O ATOM 167 CB SER A 15 132.989 3.423 -1.341 1.00 0.00 C ATOM 168 OG SER A 15 132.025 2.403 -1.154 1.00 0.00 O ATOM 0 H SER A 15 134.469 5.407 -1.157 1.00 0.00 H new ATOM 0 HA SER A 15 131.628 5.079 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 15 133.155 3.579 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 15 133.941 3.111 -0.912 1.00 0.00 H new ATOM 0 HG SER A 15 132.337 1.577 -1.579 1.00 0.00 H new ATOM 174 N HIS A 16 133.184 3.902 1.492 1.00 0.00 N ATOM 175 CA HIS A 16 133.019 3.626 2.914 1.00 0.00 C ATOM 176 C HIS A 16 133.864 4.578 3.754 1.00 0.00 C ATOM 177 O HIS A 16 133.441 5.026 4.820 1.00 0.00 O ATOM 178 CB HIS A 16 133.401 2.176 3.221 1.00 0.00 C ATOM 179 CG HIS A 16 132.222 1.262 3.354 1.00 0.00 C ATOM 180 ND1 HIS A 16 131.448 1.193 4.493 1.00 0.00 N ATOM 181 CD2 HIS A 16 131.686 0.375 2.482 1.00 0.00 C ATOM 182 CE1 HIS A 16 130.487 0.303 4.316 1.00 0.00 C ATOM 183 NE2 HIS A 16 130.610 -0.207 3.104 1.00 0.00 N ATOM 0 H HIS A 16 134.076 3.595 1.103 1.00 0.00 H new ATOM 0 HA HIS A 16 131.971 3.779 3.170 1.00 0.00 H new ATOM 0 HB2 HIS A 16 134.051 1.804 2.429 1.00 0.00 H new ATOM 0 HB3 HIS A 16 133.978 2.149 4.145 1.00 0.00 H new ATOM 0 HD2 HIS A 16 132.039 0.165 1.483 1.00 0.00 H new ATOM 0 HE1 HIS A 16 129.730 0.038 5.039 1.00 0.00 H new ATOM 0 HE2 HIS A 16 130.003 -0.918 2.696 1.00 0.00 H new ATOM 192 N GLY A 17 135.063 4.882 3.267 1.00 0.00 N ATOM 193 CA GLY A 17 135.949 5.778 3.985 1.00 0.00 C ATOM 194 C GLY A 17 137.401 5.349 3.901 1.00 0.00 C ATOM 195 O GLY A 17 138.064 5.173 4.923 1.00 0.00 O ATOM 0 H GLY A 17 135.436 4.524 2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 17 135.847 6.785 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 17 135.646 5.822 5.031 1.00 0.00 H new ATOM 199 N LEU A 18 137.897 5.182 2.678 1.00 0.00 N ATOM 200 CA LEU A 18 139.279 4.771 2.465 1.00 0.00 C ATOM 201 C LEU A 18 140.246 5.872 2.888 1.00 0.00 C ATOM 202 O LEU A 18 140.497 6.814 2.136 1.00 0.00 O ATOM 203 CB LEU A 18 139.506 4.415 0.994 1.00 0.00 C ATOM 204 CG LEU A 18 138.484 3.445 0.398 1.00 0.00 C ATOM 205 CD1 LEU A 18 138.481 3.540 -1.120 1.00 0.00 C ATOM 206 CD2 LEU A 18 138.781 2.021 0.844 1.00 0.00 C ATOM 0 H LEU A 18 137.362 5.325 1.821 1.00 0.00 H new ATOM 0 HA LEU A 18 139.468 3.890 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 18 139.497 5.334 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.500 3.981 0.890 1.00 0.00 H new ATOM 0 HG LEU A 18 137.494 3.720 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 18 137.748 2.843 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 18 138.222 4.555 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 18 139.471 3.290 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.045 1.343 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 18 139.778 1.735 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.733 1.963 1.931 1.00 0.00 H new ATOM 218 N GLU A 19 140.783 5.748 4.096 1.00 0.00 N ATOM 219 CA GLU A 19 141.722 6.733 4.621 1.00 0.00 C ATOM 220 C GLU A 19 142.809 6.061 5.452 1.00 0.00 C ATOM 221 O GLU A 19 142.810 4.843 5.622 1.00 0.00 O ATOM 222 CB GLU A 19 140.984 7.772 5.467 1.00 0.00 C ATOM 223 CG GLU A 19 140.233 7.174 6.645 1.00 0.00 C ATOM 224 CD GLU A 19 139.754 8.226 7.625 1.00 0.00 C ATOM 225 OE1 GLU A 19 140.533 9.155 7.928 1.00 0.00 O ATOM 226 OE2 GLU A 19 138.599 8.123 8.091 1.00 0.00 O ATOM 0 H GLU A 19 140.584 4.975 4.731 1.00 0.00 H new ATOM 0 HA GLU A 19 142.195 7.233 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 19 141.702 8.503 5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.280 8.311 4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.377 6.609 6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.881 6.468 7.164 1.00 0.00 H new ATOM 233 N VAL A 20 143.732 6.865 5.969 1.00 0.00 N ATOM 234 CA VAL A 20 144.825 6.349 6.785 1.00 0.00 C ATOM 235 C VAL A 20 144.297 5.620 8.015 1.00 0.00 C ATOM 236 O VAL A 20 143.530 6.181 8.799 1.00 0.00 O ATOM 237 CB VAL A 20 145.770 7.479 7.235 1.00 0.00 C ATOM 238 CG1 VAL A 20 146.993 6.908 7.939 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.181 8.337 6.049 1.00 0.00 C ATOM 0 H VAL A 20 143.745 7.876 5.837 1.00 0.00 H new ATOM 0 HA VAL A 20 145.381 5.647 6.163 1.00 0.00 H new ATOM 0 HB VAL A 20 145.235 8.112 7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.648 7.722 8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.677 6.343 8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.531 6.249 7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 20 146.848 9.130 6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.696 7.719 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.294 8.779 5.595 1.00 0.00 H new ATOM 249 N GLY A 21 144.711 4.369 8.179 1.00 0.00 N ATOM 250 CA GLY A 21 144.269 3.583 9.316 1.00 0.00 C ATOM 251 C GLY A 21 143.228 2.548 8.939 1.00 0.00 C ATOM 252 O GLY A 21 143.210 1.447 9.489 1.00 0.00 O ATOM 0 H GLY A 21 145.346 3.884 7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 21 145.128 3.083 9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.857 4.248 10.075 1.00 0.00 H new ATOM 256 N SER A 22 142.359 2.901 7.997 1.00 0.00 N ATOM 257 CA SER A 22 141.310 1.995 7.546 1.00 0.00 C ATOM 258 C SER A 22 141.877 0.922 6.622 1.00 0.00 C ATOM 259 O SER A 22 142.764 1.192 5.812 1.00 0.00 O ATOM 260 CB SER A 22 140.208 2.774 6.826 1.00 0.00 C ATOM 261 OG SER A 22 139.268 3.299 7.747 1.00 0.00 O ATOM 0 H SER A 22 142.361 3.809 7.531 1.00 0.00 H new ATOM 0 HA SER A 22 140.886 1.506 8.423 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.650 3.587 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.700 2.120 6.117 1.00 0.00 H new ATOM 0 HG SER A 22 138.575 3.794 7.261 1.00 0.00 H new ATOM 267 N LEU A 23 141.359 -0.295 6.749 1.00 0.00 N ATOM 268 CA LEU A 23 141.815 -1.410 5.924 1.00 0.00 C ATOM 269 C LEU A 23 141.296 -1.278 4.496 1.00 0.00 C ATOM 270 O LEU A 23 140.234 -0.702 4.261 1.00 0.00 O ATOM 271 CB LEU A 23 141.353 -2.738 6.526 1.00 0.00 C ATOM 272 CG LEU A 23 141.931 -3.059 7.905 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.954 -3.903 8.709 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.268 -3.773 7.769 1.00 0.00 C ATOM 0 H LEU A 23 140.624 -0.535 7.414 1.00 0.00 H new ATOM 0 HA LEU A 23 142.905 -1.389 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.265 -2.728 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.620 -3.543 5.841 1.00 0.00 H new ATOM 0 HG LEU A 23 142.094 -2.122 8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 23 141.382 -4.122 9.687 1.00 0.00 H new ATOM 0 HD12 LEU A 23 140.020 -3.356 8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.760 -4.837 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.665 -3.994 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.129 -4.703 7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.969 -3.134 7.232 1.00 0.00 H new ATOM 286 N ALA A 24 142.055 -1.814 3.546 1.00 0.00 N ATOM 287 CA ALA A 24 141.672 -1.757 2.140 1.00 0.00 C ATOM 288 C ALA A 24 142.245 -2.941 1.367 1.00 0.00 C ATOM 289 O ALA A 24 143.206 -3.573 1.804 1.00 0.00 O ATOM 290 CB ALA A 24 142.135 -0.447 1.520 1.00 0.00 C ATOM 0 H ALA A 24 142.938 -2.292 3.724 1.00 0.00 H new ATOM 0 HA ALA A 24 140.585 -1.810 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.843 -0.418 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.675 0.388 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.220 -0.372 1.597 1.00 0.00 H new ATOM 296 N GLU A 25 141.647 -3.236 0.217 1.00 0.00 N ATOM 297 CA GLU A 25 142.098 -4.344 -0.617 1.00 0.00 C ATOM 298 C GLU A 25 142.441 -3.863 -2.023 1.00 0.00 C ATOM 299 O GLU A 25 141.810 -2.945 -2.547 1.00 0.00 O ATOM 300 CB GLU A 25 141.023 -5.430 -0.684 1.00 0.00 C ATOM 301 CG GLU A 25 141.523 -6.747 -1.252 1.00 0.00 C ATOM 302 CD GLU A 25 140.399 -7.623 -1.770 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.511 -7.986 -0.970 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.407 -7.947 -2.976 1.00 0.00 O ATOM 0 H GLU A 25 140.849 -2.723 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 25 142.998 -4.762 -0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.630 -5.602 0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.194 -5.072 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.225 -6.546 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 25 142.073 -7.286 -0.480 1.00 0.00 H new ATOM 311 N VAL A 26 143.445 -4.489 -2.629 1.00 0.00 N ATOM 312 CA VAL A 26 143.872 -4.124 -3.974 1.00 0.00 C ATOM 313 C VAL A 26 143.444 -5.178 -4.990 1.00 0.00 C ATOM 314 O VAL A 26 143.415 -6.370 -4.688 1.00 0.00 O ATOM 315 CB VAL A 26 145.399 -3.944 -4.051 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.804 -3.375 -5.401 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.890 -3.054 -2.919 1.00 0.00 C ATOM 0 H VAL A 26 143.978 -5.251 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 26 143.391 -3.175 -4.212 1.00 0.00 H new ATOM 0 HB VAL A 26 145.867 -4.922 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.887 -3.255 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.489 -4.056 -6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.327 -2.406 -5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.972 -2.938 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.415 -2.076 -2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.636 -3.509 -1.962 1.00 0.00 H new ATOM 327 N LYS A 27 143.116 -4.729 -6.197 1.00 0.00 N ATOM 328 CA LYS A 27 142.690 -5.633 -7.259 1.00 0.00 C ATOM 329 C LYS A 27 143.880 -6.082 -8.101 1.00 0.00 C ATOM 330 O LYS A 27 144.102 -5.577 -9.201 1.00 0.00 O ATOM 331 CB LYS A 27 141.647 -4.954 -8.149 1.00 0.00 C ATOM 332 CG LYS A 27 140.301 -4.761 -7.470 1.00 0.00 C ATOM 333 CD LYS A 27 139.285 -5.786 -7.945 1.00 0.00 C ATOM 334 CE LYS A 27 139.368 -7.071 -7.135 1.00 0.00 C ATOM 335 NZ LYS A 27 138.350 -7.109 -6.048 1.00 0.00 N ATOM 0 H LYS A 27 143.137 -3.745 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 27 142.243 -6.513 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 27 142.028 -3.983 -8.465 1.00 0.00 H new ATOM 0 HB3 LYS A 27 141.508 -5.550 -9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 27 140.423 -4.841 -6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 27 139.930 -3.757 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 27 138.281 -5.369 -7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 27 139.455 -6.007 -8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 27 139.226 -7.926 -7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 27 140.364 -7.164 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 138.440 -8.000 -5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 138.501 -6.307 -5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 137.398 -7.046 -6.462 1.00 0.00 H new ATOM 349 N GLU A 28 144.644 -7.034 -7.575 1.00 0.00 N ATOM 350 CA GLU A 28 145.812 -7.553 -8.278 1.00 0.00 C ATOM 351 C GLU A 28 145.714 -9.064 -8.456 1.00 0.00 C ATOM 352 O GLU A 28 144.671 -9.664 -8.195 1.00 0.00 O ATOM 353 CB GLU A 28 147.091 -7.198 -7.514 1.00 0.00 C ATOM 354 CG GLU A 28 148.178 -6.601 -8.394 1.00 0.00 C ATOM 355 CD GLU A 28 149.554 -7.148 -8.072 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.770 -7.572 -6.918 1.00 0.00 O ATOM 357 OE2 GLU A 28 150.418 -7.154 -8.976 1.00 0.00 O ATOM 0 H GLU A 28 144.475 -7.462 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 28 145.846 -7.092 -9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.847 -6.490 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.478 -8.096 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 28 147.946 -6.804 -9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.184 -5.518 -8.273 1.00 0.00 H new ATOM 364 N ASN A 29 146.807 -9.675 -8.902 1.00 0.00 N ATOM 365 CA ASN A 29 146.843 -11.117 -9.113 1.00 0.00 C ATOM 366 C ASN A 29 146.916 -11.858 -7.781 1.00 0.00 C ATOM 367 O ASN A 29 146.049 -12.673 -7.467 1.00 0.00 O ATOM 368 CB ASN A 29 148.038 -11.495 -9.992 1.00 0.00 C ATOM 369 CG ASN A 29 147.648 -11.689 -11.445 1.00 0.00 C ATOM 370 OD1 ASN A 29 147.487 -12.817 -11.911 1.00 0.00 O ATOM 371 ND2 ASN A 29 147.495 -10.586 -12.168 1.00 0.00 N ATOM 0 H ASN A 29 147.679 -9.194 -9.124 1.00 0.00 H new ATOM 0 HA ASN A 29 145.924 -11.411 -9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.797 -10.716 -9.923 1.00 0.00 H new ATOM 0 HB3 ASN A 29 148.488 -12.413 -9.614 1.00 0.00 H new ATOM 0 HD21 ASN A 29 147.234 -10.653 -13.152 1.00 0.00 H new ATOM 0 HD22 ASN A 29 147.639 -9.671 -11.740 1.00 0.00 H new ATOM 378 N PRO A 30 147.958 -11.585 -6.976 1.00 0.00 N ATOM 379 CA PRO A 30 148.142 -12.228 -5.674 1.00 0.00 C ATOM 380 C PRO A 30 147.254 -11.613 -4.593 1.00 0.00 C ATOM 381 O PRO A 30 147.455 -10.466 -4.194 1.00 0.00 O ATOM 382 CB PRO A 30 149.614 -11.962 -5.367 1.00 0.00 C ATOM 383 CG PRO A 30 149.906 -10.665 -6.040 1.00 0.00 C ATOM 384 CD PRO A 30 149.040 -10.624 -7.274 1.00 0.00 C ATOM 0 HA PRO A 30 147.875 -13.284 -5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.791 -11.901 -4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.250 -12.760 -5.750 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.683 -9.826 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.961 -10.592 -6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.648 -9.623 -7.455 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.598 -10.913 -8.164 1.00 0.00 H new ATOM 392 N PRO A 31 146.253 -12.366 -4.102 1.00 0.00 N ATOM 393 CA PRO A 31 145.337 -11.880 -3.063 1.00 0.00 C ATOM 394 C PRO A 31 146.064 -11.536 -1.768 1.00 0.00 C ATOM 395 O PRO A 31 146.500 -12.422 -1.034 1.00 0.00 O ATOM 396 CB PRO A 31 144.378 -13.056 -2.838 1.00 0.00 C ATOM 397 CG PRO A 31 144.514 -13.909 -4.053 1.00 0.00 C ATOM 398 CD PRO A 31 145.932 -13.743 -4.514 1.00 0.00 C ATOM 0 HA PRO A 31 144.836 -10.961 -3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 31 144.639 -13.610 -1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.352 -12.709 -2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 31 144.297 -14.952 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 31 143.812 -13.600 -4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 31 146.596 -14.470 -4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 31 146.024 -13.874 -5.592 1.00 0.00 H new ATOM 406 N PHE A 32 146.191 -10.242 -1.492 1.00 0.00 N ATOM 407 CA PHE A 32 146.864 -9.781 -0.283 1.00 0.00 C ATOM 408 C PHE A 32 146.068 -8.670 0.395 1.00 0.00 C ATOM 409 O PHE A 32 145.464 -7.831 -0.273 1.00 0.00 O ATOM 410 CB PHE A 32 148.273 -9.285 -0.615 1.00 0.00 C ATOM 411 CG PHE A 32 148.295 -8.133 -1.580 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.870 -6.875 -1.187 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.741 -8.311 -2.879 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.889 -5.815 -2.073 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.763 -7.254 -3.769 1.00 0.00 C ATOM 416 CZ PHE A 32 148.337 -6.004 -3.366 1.00 0.00 C ATOM 0 H PHE A 32 145.837 -9.494 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 32 146.935 -10.623 0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.770 -8.985 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.850 -10.110 -1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 32 147.520 -6.721 -0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.075 -9.287 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 32 147.554 -4.839 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.113 -7.406 -4.779 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.354 -5.176 -4.060 1.00 0.00 H new ATOM 426 N TYR A 33 146.071 -8.673 1.724 1.00 0.00 N ATOM 427 CA TYR A 33 145.349 -7.666 2.492 1.00 0.00 C ATOM 428 C TYR A 33 146.315 -6.689 3.153 1.00 0.00 C ATOM 429 O TYR A 33 147.406 -7.072 3.575 1.00 0.00 O ATOM 430 CB TYR A 33 144.475 -8.335 3.555 1.00 0.00 C ATOM 431 CG TYR A 33 143.212 -8.953 2.999 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.375 -8.232 2.157 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.857 -10.258 3.318 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.220 -8.794 1.647 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.704 -10.828 2.811 1.00 0.00 C ATOM 436 CZ TYR A 33 140.888 -10.091 1.977 1.00 0.00 C ATOM 437 OH TYR A 33 139.740 -10.655 1.473 1.00 0.00 O ATOM 0 H TYR A 33 146.565 -9.362 2.291 1.00 0.00 H new ATOM 0 HA TYR A 33 144.712 -7.109 1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 33 145.057 -9.108 4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.206 -7.596 4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.631 -7.216 1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.492 -10.836 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.580 -8.220 0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.443 -11.845 3.066 1.00 0.00 H new ATOM 0 HH TYR A 33 139.655 -11.574 1.802 1.00 0.00 H new ATOM 447 N GLY A 34 145.909 -5.427 3.237 1.00 0.00 N ATOM 448 CA GLY A 34 146.751 -4.416 3.848 1.00 0.00 C ATOM 449 C GLY A 34 145.959 -3.219 4.337 1.00 0.00 C ATOM 450 O GLY A 34 144.841 -2.978 3.884 1.00 0.00 O ATOM 0 H GLY A 34 145.011 -5.086 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.292 -4.856 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.497 -4.084 3.126 1.00 0.00 H new ATOM 454 N VAL A 35 146.541 -2.468 5.266 1.00 0.00 N ATOM 455 CA VAL A 35 145.884 -1.291 5.818 1.00 0.00 C ATOM 456 C VAL A 35 146.524 -0.008 5.294 1.00 0.00 C ATOM 457 O VAL A 35 147.743 0.072 5.144 1.00 0.00 O ATOM 458 CB VAL A 35 145.936 -1.289 7.360 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.377 -1.253 7.849 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.140 -0.120 7.925 1.00 0.00 C ATOM 0 H VAL A 35 147.467 -2.654 5.652 1.00 0.00 H new ATOM 0 HA VAL A 35 144.843 -1.330 5.499 1.00 0.00 H new ATOM 0 HB VAL A 35 145.480 -2.212 7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.391 -1.252 8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.909 -2.130 7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.864 -0.351 7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.190 -0.138 9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.559 0.817 7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 35 144.100 -0.201 7.608 1.00 0.00 H new ATOM 470 N ILE A 36 145.694 0.991 5.016 1.00 0.00 N ATOM 471 CA ILE A 36 146.181 2.269 4.508 1.00 0.00 C ATOM 472 C ILE A 36 147.115 2.937 5.513 1.00 0.00 C ATOM 473 O ILE A 36 146.824 2.986 6.708 1.00 0.00 O ATOM 474 CB ILE A 36 145.017 3.229 4.186 1.00 0.00 C ATOM 475 CG1 ILE A 36 143.994 2.541 3.278 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.541 4.501 3.533 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.827 3.428 2.903 1.00 0.00 C ATOM 0 H ILE A 36 144.682 0.941 5.133 1.00 0.00 H new ATOM 0 HA ILE A 36 146.729 2.057 3.590 1.00 0.00 H new ATOM 0 HB ILE A 36 144.523 3.500 5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.494 2.208 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.616 1.650 3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.707 5.167 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.234 4.999 4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.058 4.248 2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.142 2.876 2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.303 3.741 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.194 4.307 2.373 1.00 0.00 H new ATOM 489 N ARG A 37 148.237 3.449 5.019 1.00 0.00 N ATOM 490 CA ARG A 37 149.215 4.113 5.872 1.00 0.00 C ATOM 491 C ARG A 37 149.395 5.571 5.462 1.00 0.00 C ATOM 492 O ARG A 37 149.097 6.483 6.232 1.00 0.00 O ATOM 493 CB ARG A 37 150.558 3.383 5.807 1.00 0.00 C ATOM 494 CG ARG A 37 150.462 1.902 6.127 1.00 0.00 C ATOM 495 CD ARG A 37 149.957 1.669 7.543 1.00 0.00 C ATOM 496 NE ARG A 37 150.921 2.111 8.547 1.00 0.00 N ATOM 497 CZ ARG A 37 150.615 2.326 9.825 1.00 0.00 C ATOM 498 NH1 ARG A 37 149.373 2.142 10.257 1.00 0.00 N ATOM 499 NH2 ARG A 37 151.552 2.726 10.673 1.00 0.00 N ATOM 0 H ARG A 37 148.492 3.417 4.032 1.00 0.00 H new ATOM 0 HA ARG A 37 148.844 4.086 6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 37 150.980 3.504 4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.251 3.853 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.792 1.418 5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.441 1.439 6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 37 149.016 2.201 7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 37 149.748 0.609 7.683 1.00 0.00 H new ATOM 0 HE ARG A 37 151.885 2.264 8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 37 148.648 1.834 9.609 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.144 2.308 11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 37 152.508 2.869 10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 37 151.317 2.891 11.652 1.00 0.00 H new ATOM 513 N TRP A 38 149.882 5.784 4.244 1.00 0.00 N ATOM 514 CA TRP A 38 150.100 7.132 3.733 1.00 0.00 C ATOM 515 C TRP A 38 149.375 7.336 2.406 1.00 0.00 C ATOM 516 O TRP A 38 149.482 6.516 1.495 1.00 0.00 O ATOM 517 CB TRP A 38 151.599 7.402 3.559 1.00 0.00 C ATOM 518 CG TRP A 38 151.898 8.654 2.788 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.099 9.904 3.297 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.022 8.774 1.366 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.341 10.795 2.279 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.299 10.126 1.084 1.00 0.00 C ATOM 523 CE3 TRP A 38 151.926 7.871 0.304 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.481 10.593 -0.216 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.107 8.335 -0.985 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.381 9.685 -1.236 1.00 0.00 C ATOM 0 H TRP A 38 150.133 5.040 3.593 1.00 0.00 H new ATOM 0 HA TRP A 38 149.695 7.837 4.459 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.064 7.471 4.542 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.056 6.554 3.049 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.072 10.156 4.347 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.522 11.792 2.394 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.714 6.828 0.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 152.693 11.634 -0.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.036 7.645 -1.813 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.516 10.017 -2.255 1.00 0.00 H new ATOM 537 N ILE A 39 148.646 8.442 2.303 1.00 0.00 N ATOM 538 CA ILE A 39 147.911 8.766 1.088 1.00 0.00 C ATOM 539 C ILE A 39 148.340 10.125 0.546 1.00 0.00 C ATOM 540 O ILE A 39 147.988 11.165 1.104 1.00 0.00 O ATOM 541 CB ILE A 39 146.391 8.780 1.335 1.00 0.00 C ATOM 542 CG1 ILE A 39 145.961 7.521 2.089 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.640 8.896 0.016 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.572 7.613 2.680 1.00 0.00 C ATOM 0 H ILE A 39 148.549 9.130 3.049 1.00 0.00 H new ATOM 0 HA ILE A 39 148.141 7.991 0.357 1.00 0.00 H new ATOM 0 HB ILE A 39 146.147 9.648 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.002 6.669 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.675 7.325 2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.567 8.905 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 39 145.926 9.820 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 39 145.888 8.046 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.335 6.684 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.531 8.444 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 39 143.847 7.777 1.882 1.00 0.00 H new ATOM 556 N GLY A 40 149.108 10.112 -0.539 1.00 0.00 N ATOM 557 CA GLY A 40 149.576 11.353 -1.126 1.00 0.00 C ATOM 558 C GLY A 40 150.128 11.169 -2.526 1.00 0.00 C ATOM 559 O GLY A 40 149.973 10.107 -3.129 1.00 0.00 O ATOM 0 H GLY A 40 149.414 9.266 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 40 148.754 12.068 -1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.349 11.782 -0.489 1.00 0.00 H new ATOM 563 N GLN A 41 150.772 12.210 -3.042 1.00 0.00 N ATOM 564 CA GLN A 41 151.352 12.170 -4.378 1.00 0.00 C ATOM 565 C GLN A 41 152.824 12.581 -4.341 1.00 0.00 C ATOM 566 O GLN A 41 153.146 13.724 -4.012 1.00 0.00 O ATOM 567 CB GLN A 41 150.574 13.098 -5.310 1.00 0.00 C ATOM 568 CG GLN A 41 149.068 12.908 -5.240 1.00 0.00 C ATOM 569 CD GLN A 41 148.312 14.221 -5.293 1.00 0.00 C ATOM 570 OE1 GLN A 41 147.705 14.509 -6.437 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 148.274 14.968 -4.315 1.00 0.00 N flip ATOM 0 H GLN A 41 150.905 13.095 -2.553 1.00 0.00 H new ATOM 0 HA GLN A 41 151.289 11.148 -4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 41 150.813 14.132 -5.062 1.00 0.00 H new ATOM 0 HB3 GLN A 41 150.906 12.931 -6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 41 148.747 12.274 -6.067 1.00 0.00 H new ATOM 0 HG3 GLN A 41 148.814 12.384 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.756 14.707 -3.455 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.761 15.848 -4.365 1.00 0.00 H new ATOM 580 N PRO A 42 153.742 11.656 -4.675 1.00 0.00 N ATOM 581 CA PRO A 42 155.181 11.939 -4.673 1.00 0.00 C ATOM 582 C PRO A 42 155.542 13.108 -5.584 1.00 0.00 C ATOM 583 O PRO A 42 154.782 13.461 -6.486 1.00 0.00 O ATOM 584 CB PRO A 42 155.808 10.641 -5.194 1.00 0.00 C ATOM 585 CG PRO A 42 154.786 9.590 -4.928 1.00 0.00 C ATOM 586 CD PRO A 42 153.455 10.268 -5.079 1.00 0.00 C ATOM 0 HA PRO A 42 155.535 12.227 -3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.036 10.711 -6.258 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.744 10.421 -4.681 1.00 0.00 H new ATOM 0 HG2 PRO A 42 154.885 8.762 -5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 42 154.903 9.175 -3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.088 10.214 -6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.695 9.812 -4.444 1.00 0.00 H new ATOM 594 N PRO A 43 156.714 13.726 -5.360 1.00 0.00 N ATOM 595 CA PRO A 43 157.174 14.860 -6.166 1.00 0.00 C ATOM 596 C PRO A 43 157.596 14.441 -7.569 1.00 0.00 C ATOM 597 O PRO A 43 158.768 14.155 -7.816 1.00 0.00 O ATOM 598 CB PRO A 43 158.377 15.386 -5.384 1.00 0.00 C ATOM 599 CG PRO A 43 158.887 14.204 -4.634 1.00 0.00 C ATOM 600 CD PRO A 43 157.681 13.366 -4.305 1.00 0.00 C ATOM 0 HA PRO A 43 156.387 15.599 -6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.138 15.789 -6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.088 16.190 -4.707 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.601 13.640 -5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.406 14.513 -3.727 1.00 0.00 H new ATOM 0 HD2 PRO A 43 157.915 12.302 -4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.294 13.592 -3.311 1.00 0.00 H new ATOM 608 N GLY A 44 156.635 14.406 -8.486 1.00 0.00 N ATOM 609 CA GLY A 44 156.931 14.021 -9.852 1.00 0.00 C ATOM 610 C GLY A 44 155.710 13.511 -10.590 1.00 0.00 C ATOM 611 O GLY A 44 155.412 13.962 -11.696 1.00 0.00 O ATOM 0 H GLY A 44 155.658 14.637 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.343 14.877 -10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 44 157.699 13.248 -9.850 1.00 0.00 H new ATOM 615 N LEU A 45 155.002 12.568 -9.979 1.00 0.00 N ATOM 616 CA LEU A 45 153.807 11.996 -10.589 1.00 0.00 C ATOM 617 C LEU A 45 152.592 12.203 -9.694 1.00 0.00 C ATOM 618 O LEU A 45 152.501 11.623 -8.612 1.00 0.00 O ATOM 619 CB LEU A 45 154.011 10.504 -10.858 1.00 0.00 C ATOM 620 CG LEU A 45 154.560 9.704 -9.674 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.219 8.227 -9.821 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.066 9.899 -9.551 1.00 0.00 C ATOM 0 H LEU A 45 155.234 12.184 -9.063 1.00 0.00 H new ATOM 0 HA LEU A 45 153.630 12.506 -11.536 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.057 10.071 -11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.693 10.392 -11.701 1.00 0.00 H new ATOM 0 HG LEU A 45 154.091 10.073 -8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.618 7.675 -8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.136 8.105 -9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.658 7.842 -10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.439 9.323 -8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.553 9.558 -10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.285 10.956 -9.396 1.00 0.00 H new ATOM 634 N ASN A 46 151.656 13.030 -10.149 1.00 0.00 N ATOM 635 CA ASN A 46 150.449 13.299 -9.377 1.00 0.00 C ATOM 636 C ASN A 46 149.512 12.098 -9.414 1.00 0.00 C ATOM 637 O ASN A 46 148.893 11.810 -10.438 1.00 0.00 O ATOM 638 CB ASN A 46 149.736 14.537 -9.925 1.00 0.00 C ATOM 639 CG ASN A 46 148.974 15.289 -8.852 1.00 0.00 C ATOM 640 OD1 ASN A 46 147.746 15.375 -8.891 1.00 0.00 O ATOM 641 ND2 ASN A 46 149.700 15.838 -7.884 1.00 0.00 N ATOM 0 H ASN A 46 151.709 13.522 -11.041 1.00 0.00 H new ATOM 0 HA ASN A 46 150.736 13.485 -8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.469 15.203 -10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.046 14.236 -10.713 1.00 0.00 H new ATOM 0 HD21 ASN A 46 149.242 16.355 -7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 46 150.715 15.742 -7.891 1.00 0.00 H new ATOM 648 N GLU A 47 149.415 11.401 -8.288 1.00 0.00 N ATOM 649 CA GLU A 47 148.555 10.230 -8.183 1.00 0.00 C ATOM 650 C GLU A 47 148.375 9.820 -6.726 1.00 0.00 C ATOM 651 O GLU A 47 149.348 9.519 -6.034 1.00 0.00 O ATOM 652 CB GLU A 47 149.138 9.063 -8.985 1.00 0.00 C ATOM 653 CG GLU A 47 150.653 8.959 -8.902 1.00 0.00 C ATOM 654 CD GLU A 47 151.235 8.068 -9.981 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.350 8.531 -11.134 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.575 6.905 -9.672 1.00 0.00 O ATOM 0 H GLU A 47 149.923 11.628 -7.433 1.00 0.00 H new ATOM 0 HA GLU A 47 147.580 10.490 -8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.699 8.132 -8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 47 148.847 9.171 -10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.087 9.955 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 47 150.934 8.570 -7.923 1.00 0.00 H new ATOM 663 N VAL A 48 147.130 9.802 -6.264 1.00 0.00 N ATOM 664 CA VAL A 48 146.839 9.420 -4.889 1.00 0.00 C ATOM 665 C VAL A 48 147.232 7.969 -4.639 1.00 0.00 C ATOM 666 O VAL A 48 146.502 7.047 -5.001 1.00 0.00 O ATOM 667 CB VAL A 48 145.346 9.605 -4.557 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.100 9.395 -3.071 1.00 0.00 C ATOM 669 CG2 VAL A 48 144.867 10.980 -4.996 1.00 0.00 C ATOM 0 H VAL A 48 146.310 10.046 -6.819 1.00 0.00 H new ATOM 0 HA VAL A 48 147.425 10.073 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 48 144.775 8.856 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.040 9.530 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.402 8.386 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.681 10.119 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 48 143.810 11.092 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.442 11.748 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.005 11.087 -6.072 1.00 0.00 H new ATOM 679 N LEU A 49 148.392 7.774 -4.021 1.00 0.00 N ATOM 680 CA LEU A 49 148.884 6.434 -3.727 1.00 0.00 C ATOM 681 C LEU A 49 148.782 6.135 -2.237 1.00 0.00 C ATOM 682 O LEU A 49 149.437 6.780 -1.418 1.00 0.00 O ATOM 683 CB LEU A 49 150.333 6.286 -4.190 1.00 0.00 C ATOM 684 CG LEU A 49 150.544 6.396 -5.702 1.00 0.00 C ATOM 685 CD1 LEU A 49 151.921 6.965 -6.009 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.367 5.038 -6.363 1.00 0.00 C ATOM 0 H LEU A 49 149.008 8.527 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 49 148.264 5.719 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 49 150.936 7.049 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.708 5.319 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 49 149.795 7.076 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.053 7.036 -7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.012 7.957 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.686 6.310 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.520 5.134 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 49 151.094 4.337 -5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.359 4.669 -6.172 1.00 0.00 H new ATOM 698 N ALA A 50 147.954 5.157 -1.890 1.00 0.00 N ATOM 699 CA ALA A 50 147.767 4.778 -0.498 1.00 0.00 C ATOM 700 C ALA A 50 148.728 3.663 -0.099 1.00 0.00 C ATOM 701 O ALA A 50 148.645 2.546 -0.611 1.00 0.00 O ATOM 702 CB ALA A 50 146.329 4.352 -0.254 1.00 0.00 C ATOM 0 H ALA A 50 147.403 4.613 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 50 147.984 5.648 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.205 4.071 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.659 5.179 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.089 3.499 -0.889 1.00 0.00 H new ATOM 708 N GLY A 51 149.639 3.971 0.818 1.00 0.00 N ATOM 709 CA GLY A 51 150.601 2.984 1.269 1.00 0.00 C ATOM 710 C GLY A 51 149.968 1.910 2.133 1.00 0.00 C ATOM 711 O GLY A 51 149.673 2.142 3.305 1.00 0.00 O ATOM 0 H GLY A 51 149.728 4.887 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.072 2.519 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.390 3.481 1.833 1.00 0.00 H new ATOM 715 N LEU A 52 149.760 0.733 1.554 1.00 0.00 N ATOM 716 CA LEU A 52 149.158 -0.379 2.279 1.00 0.00 C ATOM 717 C LEU A 52 150.226 -1.227 2.962 1.00 0.00 C ATOM 718 O LEU A 52 151.311 -1.435 2.418 1.00 0.00 O ATOM 719 CB LEU A 52 148.331 -1.247 1.329 1.00 0.00 C ATOM 720 CG LEU A 52 147.092 -0.567 0.742 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.492 -1.417 -0.367 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.064 -0.305 1.832 1.00 0.00 C ATOM 0 H LEU A 52 149.999 0.524 0.585 1.00 0.00 H new ATOM 0 HA LEU A 52 148.503 0.034 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.971 -1.572 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 52 148.016 -2.144 1.862 1.00 0.00 H new ATOM 0 HG LEU A 52 147.392 0.390 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.612 -0.918 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.228 -1.555 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.205 -2.389 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.189 0.179 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.768 -1.250 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.498 0.344 2.593 1.00 0.00 H new ATOM 734 N GLU A 53 149.911 -1.716 4.157 1.00 0.00 N ATOM 735 CA GLU A 53 150.842 -2.542 4.916 1.00 0.00 C ATOM 736 C GLU A 53 150.337 -3.977 5.018 1.00 0.00 C ATOM 737 O GLU A 53 149.366 -4.256 5.720 1.00 0.00 O ATOM 738 CB GLU A 53 151.049 -1.961 6.316 1.00 0.00 C ATOM 739 CG GLU A 53 152.034 -2.750 7.163 1.00 0.00 C ATOM 740 CD GLU A 53 151.587 -2.881 8.606 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.528 -3.497 8.845 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.298 -2.368 9.497 1.00 0.00 O ATOM 0 H GLU A 53 149.017 -1.554 4.621 1.00 0.00 H new ATOM 0 HA GLU A 53 151.796 -2.548 4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.402 -0.934 6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.089 -1.924 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.162 -3.744 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.008 -2.262 7.131 1.00 0.00 H new ATOM 749 N LEU A 54 151.003 -4.885 4.310 1.00 0.00 N ATOM 750 CA LEU A 54 150.620 -6.292 4.319 1.00 0.00 C ATOM 751 C LEU A 54 150.836 -6.904 5.700 1.00 0.00 C ATOM 752 O LEU A 54 151.871 -6.692 6.329 1.00 0.00 O ATOM 753 CB LEU A 54 151.423 -7.067 3.273 1.00 0.00 C ATOM 754 CG LEU A 54 151.413 -6.460 1.869 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.554 -7.023 1.036 1.00 0.00 C ATOM 756 CD2 LEU A 54 150.076 -6.717 1.189 1.00 0.00 C ATOM 0 H LEU A 54 151.810 -4.671 3.724 1.00 0.00 H new ATOM 0 HA LEU A 54 149.560 -6.357 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.456 -7.142 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 54 151.032 -8.083 3.216 1.00 0.00 H new ATOM 0 HG LEU A 54 151.553 -5.383 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.531 -6.580 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.504 -6.789 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.446 -8.105 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 54 150.085 -6.279 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.907 -7.791 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.276 -6.265 1.776 1.00 0.00 H new ATOM 768 N GLU A 55 149.850 -7.665 6.164 1.00 0.00 N ATOM 769 CA GLU A 55 149.930 -8.310 7.469 1.00 0.00 C ATOM 770 C GLU A 55 151.044 -9.351 7.494 1.00 0.00 C ATOM 771 O GLU A 55 151.685 -9.565 8.524 1.00 0.00 O ATOM 772 CB GLU A 55 148.594 -8.967 7.822 1.00 0.00 C ATOM 773 CG GLU A 55 147.552 -7.987 8.337 1.00 0.00 C ATOM 774 CD GLU A 55 146.137 -8.398 7.975 1.00 0.00 C ATOM 775 OE1 GLU A 55 145.968 -9.127 6.975 1.00 0.00 O ATOM 776 OE2 GLU A 55 145.200 -7.990 8.692 1.00 0.00 O ATOM 0 H GLU A 55 148.986 -7.850 5.655 1.00 0.00 H new ATOM 0 HA GLU A 55 150.156 -7.544 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.202 -9.471 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.764 -9.734 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.637 -7.907 9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 55 147.755 -6.997 7.928 1.00 0.00 H new ATOM 783 N ASP A 56 151.269 -9.997 6.356 1.00 0.00 N ATOM 784 CA ASP A 56 152.306 -11.017 6.248 1.00 0.00 C ATOM 785 C ASP A 56 153.580 -10.435 5.642 1.00 0.00 C ATOM 786 O ASP A 56 153.529 -9.483 4.864 1.00 0.00 O ATOM 787 CB ASP A 56 151.812 -12.189 5.397 1.00 0.00 C ATOM 788 CG ASP A 56 150.930 -13.140 6.180 1.00 0.00 C ATOM 789 OD1 ASP A 56 151.478 -13.993 6.910 1.00 0.00 O ATOM 790 OD2 ASP A 56 149.691 -13.034 6.064 1.00 0.00 O ATOM 0 H ASP A 56 150.748 -9.833 5.495 1.00 0.00 H new ATOM 0 HA ASP A 56 152.533 -11.376 7.252 1.00 0.00 H new ATOM 0 HB2 ASP A 56 151.257 -11.805 4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.669 -12.734 5.002 1.00 0.00 H new ATOM 795 N GLU A 57 154.719 -11.014 6.006 1.00 0.00 N ATOM 796 CA GLU A 57 156.006 -10.552 5.498 1.00 0.00 C ATOM 797 C GLU A 57 156.353 -11.245 4.184 1.00 0.00 C ATOM 798 O GLU A 57 156.738 -12.414 4.170 1.00 0.00 O ATOM 799 CB GLU A 57 157.107 -10.810 6.529 1.00 0.00 C ATOM 800 CG GLU A 57 157.130 -9.795 7.660 1.00 0.00 C ATOM 801 CD GLU A 57 158.393 -9.882 8.496 1.00 0.00 C ATOM 802 OE1 GLU A 57 158.992 -10.976 8.553 1.00 0.00 O ATOM 803 OE2 GLU A 57 158.782 -8.856 9.092 1.00 0.00 O ATOM 0 H GLU A 57 154.778 -11.803 6.650 1.00 0.00 H new ATOM 0 HA GLU A 57 155.932 -9.480 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 57 156.974 -11.807 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 57 158.074 -10.803 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.042 -8.791 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.263 -9.951 8.301 1.00 0.00 H new ATOM 810 N CYS A 58 156.214 -10.515 3.082 1.00 0.00 N ATOM 811 CA CYS A 58 156.513 -11.058 1.762 1.00 0.00 C ATOM 812 C CYS A 58 157.824 -10.492 1.225 1.00 0.00 C ATOM 813 O CYS A 58 157.973 -9.279 1.077 1.00 0.00 O ATOM 814 CB CYS A 58 155.374 -10.750 0.790 1.00 0.00 C ATOM 815 SG CYS A 58 155.604 -11.445 -0.862 1.00 0.00 S ATOM 0 H CYS A 58 155.896 -9.546 3.077 1.00 0.00 H new ATOM 0 HA CYS A 58 156.617 -12.139 1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.442 -11.132 1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.265 -9.669 0.705 1.00 0.00 H new ATOM 0 HG CYS A 58 154.588 -11.132 -1.610 1.00 0.00 H new ATOM 821 N ALA A 59 158.770 -11.378 0.933 1.00 0.00 N ATOM 822 CA ALA A 59 160.067 -10.966 0.411 1.00 0.00 C ATOM 823 C ALA A 59 159.915 -10.208 -0.903 1.00 0.00 C ATOM 824 O ALA A 59 159.155 -10.615 -1.782 1.00 0.00 O ATOM 825 CB ALA A 59 160.968 -12.177 0.223 1.00 0.00 C ATOM 0 H ALA A 59 158.663 -12.386 1.049 1.00 0.00 H new ATOM 0 HA ALA A 59 160.526 -10.294 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.933 -11.855 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 59 161.112 -12.676 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.505 -12.869 -0.480 1.00 0.00 H new ATOM 831 N GLY A 60 160.643 -9.103 -1.031 1.00 0.00 N ATOM 832 CA GLY A 60 160.574 -8.305 -2.241 1.00 0.00 C ATOM 833 C GLY A 60 160.044 -6.908 -1.985 1.00 0.00 C ATOM 834 O GLY A 60 160.381 -5.967 -2.703 1.00 0.00 O ATOM 0 H GLY A 60 161.279 -8.746 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 60 161.567 -8.238 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 60 159.933 -8.806 -2.967 1.00 0.00 H new ATOM 838 N CYS A 61 159.210 -6.773 -0.959 1.00 0.00 N ATOM 839 CA CYS A 61 158.631 -5.480 -0.610 1.00 0.00 C ATOM 840 C CYS A 61 159.598 -4.662 0.240 1.00 0.00 C ATOM 841 O CYS A 61 160.705 -5.109 0.542 1.00 0.00 O ATOM 842 CB CYS A 61 157.314 -5.675 0.143 1.00 0.00 C ATOM 843 SG CYS A 61 156.183 -6.848 -0.641 1.00 0.00 S ATOM 0 H CYS A 61 158.920 -7.542 -0.355 1.00 0.00 H new ATOM 0 HA CYS A 61 158.437 -4.936 -1.534 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.533 -6.018 1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.814 -4.711 0.235 1.00 0.00 H new ATOM 0 HG CYS A 61 156.483 -8.056 -0.267 1.00 0.00 H new ATOM 849 N THR A 62 159.174 -3.462 0.620 1.00 0.00 N ATOM 850 CA THR A 62 160.003 -2.581 1.435 1.00 0.00 C ATOM 851 C THR A 62 159.434 -2.448 2.844 1.00 0.00 C ATOM 852 O THR A 62 158.454 -3.106 3.192 1.00 0.00 O ATOM 853 CB THR A 62 160.110 -1.201 0.784 1.00 0.00 C ATOM 854 OG1 THR A 62 158.839 -0.580 0.714 1.00 0.00 O ATOM 855 CG2 THR A 62 160.677 -1.243 -0.618 1.00 0.00 C ATOM 0 H THR A 62 158.261 -3.077 0.377 1.00 0.00 H new ATOM 0 HA THR A 62 160.998 -3.021 1.504 1.00 0.00 H new ATOM 0 HB THR A 62 160.792 -0.635 1.418 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.923 0.289 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.726 -0.231 -1.021 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.679 -1.672 -0.593 1.00 0.00 H new ATOM 0 HG23 THR A 62 160.036 -1.856 -1.252 1.00 0.00 H new ATOM 863 N ASP A 63 160.056 -1.594 3.649 1.00 0.00 N ATOM 864 CA ASP A 63 159.612 -1.375 5.021 1.00 0.00 C ATOM 865 C ASP A 63 158.866 -0.050 5.147 1.00 0.00 C ATOM 866 O ASP A 63 158.935 0.616 6.180 1.00 0.00 O ATOM 867 CB ASP A 63 160.806 -1.393 5.976 1.00 0.00 C ATOM 868 CG ASP A 63 161.904 -0.439 5.547 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.732 0.784 5.729 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.936 -0.917 5.028 1.00 0.00 O ATOM 0 H ASP A 63 160.869 -1.042 3.376 1.00 0.00 H new ATOM 0 HA ASP A 63 158.930 -2.183 5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.470 -1.128 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.208 -2.405 6.031 1.00 0.00 H new ATOM 875 N GLY A 64 158.156 0.325 4.089 1.00 0.00 N ATOM 876 CA GLY A 64 157.408 1.569 4.101 1.00 0.00 C ATOM 877 C GLY A 64 158.144 2.695 3.402 1.00 0.00 C ATOM 878 O GLY A 64 158.130 3.836 3.864 1.00 0.00 O ATOM 0 H GLY A 64 158.085 -0.210 3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.444 1.414 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.205 1.857 5.132 1.00 0.00 H new ATOM 882 N THR A 65 158.787 2.375 2.284 1.00 0.00 N ATOM 883 CA THR A 65 159.532 3.367 1.519 1.00 0.00 C ATOM 884 C THR A 65 159.121 3.343 0.051 1.00 0.00 C ATOM 885 O THR A 65 159.276 2.330 -0.631 1.00 0.00 O ATOM 886 CB THR A 65 161.036 3.116 1.644 1.00 0.00 C ATOM 887 OG1 THR A 65 161.300 1.733 1.811 1.00 0.00 O ATOM 888 CG2 THR A 65 161.670 3.849 2.806 1.00 0.00 C ATOM 0 H THR A 65 158.807 1.435 1.888 1.00 0.00 H new ATOM 0 HA THR A 65 159.301 4.351 1.926 1.00 0.00 H new ATOM 0 HB THR A 65 161.471 3.492 0.718 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.267 1.591 1.887 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.737 3.628 2.837 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.526 4.922 2.682 1.00 0.00 H new ATOM 0 HG23 THR A 65 161.205 3.526 3.737 1.00 0.00 H new ATOM 896 N PHE A 66 158.597 4.466 -0.431 1.00 0.00 N ATOM 897 CA PHE A 66 158.164 4.572 -1.819 1.00 0.00 C ATOM 898 C PHE A 66 159.235 5.243 -2.672 1.00 0.00 C ATOM 899 O PHE A 66 159.380 6.465 -2.657 1.00 0.00 O ATOM 900 CB PHE A 66 156.857 5.362 -1.909 1.00 0.00 C ATOM 901 CG PHE A 66 156.098 5.124 -3.184 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.827 3.835 -3.613 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.657 6.190 -3.951 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.130 3.613 -4.786 1.00 0.00 C ATOM 905 CE2 PHE A 66 154.959 5.974 -5.125 1.00 0.00 C ATOM 906 CZ PHE A 66 154.695 4.684 -5.542 1.00 0.00 C ATOM 0 H PHE A 66 158.462 5.314 0.119 1.00 0.00 H new ATOM 0 HA PHE A 66 157.999 3.564 -2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.223 5.097 -1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 66 157.078 6.426 -1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.164 2.994 -3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.861 7.200 -3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 66 154.926 2.603 -5.111 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.621 6.813 -5.715 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.149 4.513 -6.458 1.00 0.00 H new ATOM 916 N ARG A 67 159.983 4.435 -3.417 1.00 0.00 N ATOM 917 CA ARG A 67 161.042 4.949 -4.278 1.00 0.00 C ATOM 918 C ARG A 67 162.083 5.713 -3.465 1.00 0.00 C ATOM 919 O ARG A 67 162.723 6.636 -3.969 1.00 0.00 O ATOM 920 CB ARG A 67 160.453 5.860 -5.357 1.00 0.00 C ATOM 921 CG ARG A 67 159.223 5.281 -6.038 1.00 0.00 C ATOM 922 CD ARG A 67 158.382 6.368 -6.687 1.00 0.00 C ATOM 923 NE ARG A 67 157.338 5.813 -7.546 1.00 0.00 N ATOM 924 CZ ARG A 67 157.567 5.297 -8.752 1.00 0.00 C ATOM 925 NH1 ARG A 67 158.799 5.263 -9.244 1.00 0.00 N ATOM 926 NH2 ARG A 67 156.561 4.814 -9.466 1.00 0.00 N ATOM 0 H ARG A 67 159.875 3.421 -3.442 1.00 0.00 H new ATOM 0 HA ARG A 67 161.532 4.100 -4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 67 160.192 6.819 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 67 161.216 6.057 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.531 4.558 -6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.621 4.742 -5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 67 157.925 6.984 -5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 67 159.026 7.022 -7.275 1.00 0.00 H new ATOM 0 HE ARG A 67 156.378 5.821 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 67 159.577 5.633 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 67 158.968 4.866 -10.168 1.00 0.00 H new ATOM 0 HH21 ARG A 67 155.612 4.838 -9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 67 156.735 4.418 -10.390 1.00 0.00 H new ATOM 940 N GLY A 68 162.246 5.323 -2.205 1.00 0.00 N ATOM 941 CA GLY A 68 163.211 5.983 -1.344 1.00 0.00 C ATOM 942 C GLY A 68 162.572 7.006 -0.425 1.00 0.00 C ATOM 943 O GLY A 68 163.149 7.375 0.598 1.00 0.00 O ATOM 0 H GLY A 68 161.728 4.563 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.728 5.234 -0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 68 163.965 6.474 -1.959 1.00 0.00 H new ATOM 947 N THR A 69 161.378 7.467 -0.787 1.00 0.00 N ATOM 948 CA THR A 69 160.666 8.455 0.015 1.00 0.00 C ATOM 949 C THR A 69 159.834 7.778 1.100 1.00 0.00 C ATOM 950 O THR A 69 158.714 7.331 0.851 1.00 0.00 O ATOM 951 CB THR A 69 159.763 9.310 -0.875 1.00 0.00 C ATOM 952 OG1 THR A 69 160.491 9.830 -1.974 1.00 0.00 O ATOM 953 CG2 THR A 69 159.137 10.479 -0.146 1.00 0.00 C ATOM 0 H THR A 69 160.884 7.172 -1.630 1.00 0.00 H new ATOM 0 HA THR A 69 161.405 9.096 0.495 1.00 0.00 H new ATOM 0 HB THR A 69 158.968 8.642 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 69 159.896 10.373 -2.533 1.00 0.00 H new ATOM 0 HG21 THR A 69 158.509 11.044 -0.835 1.00 0.00 H new ATOM 0 HG22 THR A 69 158.529 10.109 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 69 159.922 11.127 0.244 1.00 0.00 H new ATOM 961 N ARG A 70 160.389 7.706 2.306 1.00 0.00 N ATOM 962 CA ARG A 70 159.699 7.084 3.429 1.00 0.00 C ATOM 963 C ARG A 70 158.562 7.971 3.925 1.00 0.00 C ATOM 964 O ARG A 70 158.773 9.132 4.275 1.00 0.00 O ATOM 965 CB ARG A 70 160.680 6.807 4.569 1.00 0.00 C ATOM 966 CG ARG A 70 160.151 5.828 5.603 1.00 0.00 C ATOM 967 CD ARG A 70 160.885 5.964 6.927 1.00 0.00 C ATOM 968 NE ARG A 70 162.332 5.847 6.766 1.00 0.00 N ATOM 969 CZ ARG A 70 163.172 5.583 7.765 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.711 5.408 8.998 1.00 0.00 N ATOM 971 NH2 ARG A 70 164.473 5.494 7.532 1.00 0.00 N ATOM 0 H ARG A 70 161.315 8.071 2.530 1.00 0.00 H new ATOM 0 HA ARG A 70 159.277 6.139 3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.608 6.415 4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 70 160.925 7.747 5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.086 6.000 5.757 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.258 4.810 5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.647 6.928 7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 70 160.534 5.196 7.617 1.00 0.00 H new ATOM 0 HE ARG A 70 162.722 5.975 5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 70 161.710 5.476 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 70 163.358 5.206 9.760 1.00 0.00 H new ATOM 0 HH21 ARG A 70 164.832 5.628 6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 70 165.116 5.292 8.298 1.00 0.00 H new ATOM 985 N TYR A 71 157.354 7.415 3.953 1.00 0.00 N ATOM 986 CA TYR A 71 156.182 8.156 4.406 1.00 0.00 C ATOM 987 C TYR A 71 155.796 7.749 5.824 1.00 0.00 C ATOM 988 O TYR A 71 155.470 8.595 6.657 1.00 0.00 O ATOM 989 CB TYR A 71 155.007 7.920 3.457 1.00 0.00 C ATOM 990 CG TYR A 71 155.195 8.551 2.094 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.167 9.930 1.937 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.397 7.766 0.966 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.337 10.510 0.693 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.568 8.337 -0.280 1.00 0.00 C ATOM 995 CZ TYR A 71 155.537 9.710 -0.411 1.00 0.00 C ATOM 996 OH TYR A 71 155.707 10.284 -1.650 1.00 0.00 O ATOM 0 H TYR A 71 157.162 6.455 3.668 1.00 0.00 H new ATOM 0 HA TYR A 71 156.431 9.217 4.408 1.00 0.00 H new ATOM 0 HB2 TYR A 71 154.859 6.847 3.335 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.099 8.317 3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.010 10.560 2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.421 6.691 1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.313 11.585 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.725 7.712 -1.147 1.00 0.00 H new ATOM 0 HH TYR A 71 154.837 10.372 -2.092 1.00 0.00 H new ATOM 1006 N PHE A 72 155.835 6.447 6.092 1.00 0.00 N ATOM 1007 CA PHE A 72 155.488 5.928 7.409 1.00 0.00 C ATOM 1008 C PHE A 72 156.491 4.871 7.858 1.00 0.00 C ATOM 1009 O PHE A 72 157.311 4.403 7.068 1.00 0.00 O ATOM 1010 CB PHE A 72 154.079 5.335 7.393 1.00 0.00 C ATOM 1011 CG PHE A 72 153.863 4.329 6.298 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.508 4.738 5.023 1.00 0.00 C ATOM 1013 CD2 PHE A 72 154.015 2.974 6.546 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.309 3.816 4.015 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.817 2.046 5.541 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.463 2.468 4.274 1.00 0.00 C ATOM 0 H PHE A 72 156.103 5.733 5.414 1.00 0.00 H new ATOM 0 HA PHE A 72 155.517 6.756 8.117 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.882 4.861 8.355 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.355 6.142 7.281 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.385 5.791 4.815 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.291 2.640 7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.033 4.148 3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.939 0.993 5.746 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.307 1.745 3.487 1.00 0.00 H new ATOM 1026 N THR A 73 156.422 4.500 9.133 1.00 0.00 N ATOM 1027 CA THR A 73 157.326 3.498 9.688 1.00 0.00 C ATOM 1028 C THR A 73 156.594 2.182 9.932 1.00 0.00 C ATOM 1029 O THR A 73 155.767 2.079 10.838 1.00 0.00 O ATOM 1030 CB THR A 73 157.941 4.003 10.993 1.00 0.00 C ATOM 1031 OG1 THR A 73 156.941 4.531 11.848 1.00 0.00 O ATOM 1032 CG2 THR A 73 158.983 5.080 10.785 1.00 0.00 C ATOM 0 H THR A 73 155.750 4.878 9.801 1.00 0.00 H new ATOM 0 HA THR A 73 158.122 3.322 8.965 1.00 0.00 H new ATOM 0 HB THR A 73 158.424 3.134 11.440 1.00 0.00 H new ATOM 0 HG1 THR A 73 156.158 3.942 11.838 1.00 0.00 H new ATOM 0 HG21 THR A 73 159.379 5.394 11.751 1.00 0.00 H new ATOM 0 HG22 THR A 73 159.793 4.688 10.170 1.00 0.00 H new ATOM 0 HG23 THR A 73 158.528 5.935 10.284 1.00 0.00 H new ATOM 1040 N CYS A 74 156.905 1.178 9.118 1.00 0.00 N ATOM 1041 CA CYS A 74 156.276 -0.132 9.247 1.00 0.00 C ATOM 1042 C CYS A 74 157.327 -1.238 9.278 1.00 0.00 C ATOM 1043 O CYS A 74 158.514 -0.986 9.073 1.00 0.00 O ATOM 1044 CB CYS A 74 155.305 -0.369 8.090 1.00 0.00 C ATOM 1045 SG CYS A 74 153.619 0.197 8.415 1.00 0.00 S ATOM 0 H CYS A 74 157.588 1.246 8.363 1.00 0.00 H new ATOM 0 HA CYS A 74 155.724 -0.153 10.187 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.683 0.139 7.203 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.282 -1.435 7.862 1.00 0.00 H new ATOM 0 HG CYS A 74 153.283 1.090 7.532 1.00 0.00 H new ATOM 1051 N ALA A 75 156.880 -2.462 9.536 1.00 0.00 N ATOM 1052 CA ALA A 75 157.781 -3.607 9.595 1.00 0.00 C ATOM 1053 C ALA A 75 158.466 -3.836 8.251 1.00 0.00 C ATOM 1054 O ALA A 75 158.120 -3.206 7.251 1.00 0.00 O ATOM 1055 CB ALA A 75 157.022 -4.854 10.021 1.00 0.00 C ATOM 0 H ALA A 75 155.900 -2.687 9.708 1.00 0.00 H new ATOM 0 HA ALA A 75 158.552 -3.394 10.335 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.707 -5.701 10.061 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.584 -4.695 11.006 1.00 0.00 H new ATOM 0 HB3 ALA A 75 156.230 -5.061 9.301 1.00 0.00 H new ATOM 1061 N LEU A 76 159.440 -4.741 8.235 1.00 0.00 N ATOM 1062 CA LEU A 76 160.174 -5.052 7.014 1.00 0.00 C ATOM 1063 C LEU A 76 159.372 -5.997 6.124 1.00 0.00 C ATOM 1064 O LEU A 76 158.793 -6.973 6.600 1.00 0.00 O ATOM 1065 CB LEU A 76 161.527 -5.679 7.353 1.00 0.00 C ATOM 1066 CG LEU A 76 162.600 -4.692 7.818 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.504 -5.337 8.856 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.415 -4.197 6.633 1.00 0.00 C ATOM 0 H LEU A 76 159.739 -5.271 9.053 1.00 0.00 H new ATOM 0 HA LEU A 76 160.339 -4.121 6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.379 -6.426 8.133 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.897 -6.206 6.473 1.00 0.00 H new ATOM 0 HG LEU A 76 162.106 -3.836 8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.261 -4.620 9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.909 -5.644 9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 76 163.991 -6.210 8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 76 164.174 -3.496 6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.899 -5.043 6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.757 -3.697 5.922 1.00 0.00 H new ATOM 1080 N LYS A 77 159.343 -5.699 4.829 1.00 0.00 N ATOM 1081 CA LYS A 77 158.612 -6.522 3.872 1.00 0.00 C ATOM 1082 C LYS A 77 157.123 -6.548 4.201 1.00 0.00 C ATOM 1083 O LYS A 77 156.500 -7.610 4.224 1.00 0.00 O ATOM 1084 CB LYS A 77 159.172 -7.946 3.859 1.00 0.00 C ATOM 1085 CG LYS A 77 160.683 -8.006 3.706 1.00 0.00 C ATOM 1086 CD LYS A 77 161.119 -7.581 2.314 1.00 0.00 C ATOM 1087 CE LYS A 77 162.513 -6.976 2.326 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.560 -7.995 2.614 1.00 0.00 N ATOM 0 H LYS A 77 159.817 -4.894 4.418 1.00 0.00 H new ATOM 0 HA LYS A 77 158.737 -6.083 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 77 158.889 -8.447 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.710 -8.501 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.151 -7.359 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.030 -9.020 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.101 -8.443 1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.410 -6.855 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.715 -6.511 1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 77 162.559 -6.186 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.496 -7.541 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.383 -8.421 3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 163.534 -8.736 1.884 1.00 0.00 H new ATOM 1102 N LYS A 78 156.558 -5.373 4.456 1.00 0.00 N ATOM 1103 CA LYS A 78 155.142 -5.261 4.785 1.00 0.00 C ATOM 1104 C LYS A 78 154.602 -3.885 4.407 1.00 0.00 C ATOM 1105 O LYS A 78 153.781 -3.312 5.123 1.00 0.00 O ATOM 1106 CB LYS A 78 154.921 -5.517 6.278 1.00 0.00 C ATOM 1107 CG LYS A 78 155.477 -6.850 6.755 1.00 0.00 C ATOM 1108 CD LYS A 78 155.149 -7.097 8.218 1.00 0.00 C ATOM 1109 CE LYS A 78 153.954 -8.023 8.373 1.00 0.00 C ATOM 1110 NZ LYS A 78 153.139 -7.684 9.573 1.00 0.00 N ATOM 0 H LYS A 78 157.059 -4.485 4.441 1.00 0.00 H new ATOM 0 HA LYS A 78 154.601 -6.013 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.386 -4.713 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.852 -5.481 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 78 155.065 -7.656 6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.558 -6.866 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 78 156.015 -7.532 8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.941 -6.147 8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.330 -7.962 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.301 -9.053 8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.298 -8.295 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.707 -7.832 10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.843 -6.688 9.521 1.00 0.00 H new ATOM 1124 N ALA A 79 155.068 -3.363 3.278 1.00 0.00 N ATOM 1125 CA ALA A 79 154.633 -2.055 2.805 1.00 0.00 C ATOM 1126 C ALA A 79 154.555 -2.020 1.282 1.00 0.00 C ATOM 1127 O ALA A 79 155.578 -1.989 0.599 1.00 0.00 O ATOM 1128 CB ALA A 79 155.571 -0.971 3.312 1.00 0.00 C ATOM 0 H ALA A 79 155.747 -3.826 2.674 1.00 0.00 H new ATOM 0 HA ALA A 79 153.634 -1.868 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.233 0.000 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.573 -0.972 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.580 -1.163 2.947 1.00 0.00 H new ATOM 1134 N LEU A 80 153.334 -2.025 0.757 1.00 0.00 N ATOM 1135 CA LEU A 80 153.122 -1.994 -0.685 1.00 0.00 C ATOM 1136 C LEU A 80 152.248 -0.809 -1.081 1.00 0.00 C ATOM 1137 O LEU A 80 151.047 -0.791 -0.810 1.00 0.00 O ATOM 1138 CB LEU A 80 152.476 -3.299 -1.154 1.00 0.00 C ATOM 1139 CG LEU A 80 152.145 -3.358 -2.647 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.393 -3.669 -3.458 1.00 0.00 C ATOM 1141 CD2 LEU A 80 151.062 -4.394 -2.911 1.00 0.00 C ATOM 0 H LEU A 80 152.477 -2.050 1.309 1.00 0.00 H new ATOM 0 HA LEU A 80 154.093 -1.883 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 80 153.145 -4.125 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.558 -3.456 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 80 151.770 -2.382 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 80 153.139 -3.707 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 80 154.138 -2.891 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.798 -4.632 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.839 -4.423 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.410 -5.375 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 80 150.161 -4.127 -2.359 1.00 0.00 H new ATOM 1153 N PHE A 81 152.858 0.182 -1.724 1.00 0.00 N ATOM 1154 CA PHE A 81 152.135 1.371 -2.158 1.00 0.00 C ATOM 1155 C PHE A 81 151.374 1.103 -3.452 1.00 0.00 C ATOM 1156 O PHE A 81 151.879 0.436 -4.355 1.00 0.00 O ATOM 1157 CB PHE A 81 153.104 2.538 -2.355 1.00 0.00 C ATOM 1158 CG PHE A 81 153.883 2.888 -1.119 1.00 0.00 C ATOM 1159 CD1 PHE A 81 155.005 2.157 -0.761 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.494 3.947 -0.316 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.724 2.476 0.375 1.00 0.00 C ATOM 1162 CE2 PHE A 81 154.209 4.271 0.822 1.00 0.00 C ATOM 1163 CZ PHE A 81 155.325 3.534 1.167 1.00 0.00 C ATOM 0 H PHE A 81 153.851 0.185 -1.956 1.00 0.00 H new ATOM 0 HA PHE A 81 151.415 1.632 -1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.801 2.290 -3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.543 3.414 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.321 1.328 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.622 4.526 -0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.597 1.899 0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.895 5.099 1.440 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.885 3.785 2.056 1.00 0.00 H new ATOM 1173 N VAL A 82 150.155 1.628 -3.535 1.00 0.00 N ATOM 1174 CA VAL A 82 149.324 1.445 -4.718 1.00 0.00 C ATOM 1175 C VAL A 82 148.369 2.618 -4.907 1.00 0.00 C ATOM 1176 O VAL A 82 148.190 3.437 -4.005 1.00 0.00 O ATOM 1177 CB VAL A 82 148.507 0.142 -4.635 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.423 -1.069 -4.717 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.682 0.111 -3.358 1.00 0.00 C ATOM 0 H VAL A 82 149.722 2.183 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 82 149.999 1.389 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 82 147.823 0.108 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.828 -1.980 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.965 -1.052 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.133 -1.044 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.111 -0.817 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.345 0.168 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 82 146.997 0.959 -3.346 1.00 0.00 H new ATOM 1189 N LYS A 83 147.757 2.694 -6.084 1.00 0.00 N ATOM 1190 CA LYS A 83 146.820 3.768 -6.391 1.00 0.00 C ATOM 1191 C LYS A 83 145.576 3.672 -5.515 1.00 0.00 C ATOM 1192 O LYS A 83 144.875 2.659 -5.521 1.00 0.00 O ATOM 1193 CB LYS A 83 146.424 3.721 -7.868 1.00 0.00 C ATOM 1194 CG LYS A 83 147.590 3.945 -8.818 1.00 0.00 C ATOM 1195 CD LYS A 83 147.222 3.577 -10.246 1.00 0.00 C ATOM 1196 CE LYS A 83 147.832 4.546 -11.246 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.273 3.859 -12.490 1.00 0.00 N ATOM 0 H LYS A 83 147.893 2.024 -6.841 1.00 0.00 H new ATOM 0 HA LYS A 83 147.314 4.717 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.971 2.753 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.663 4.478 -8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.898 4.990 -8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.443 3.349 -8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.565 2.565 -10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.137 3.575 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.102 5.316 -11.496 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.683 5.050 -10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 148.683 4.556 -13.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 148.988 3.142 -12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 147.456 3.399 -12.941 1.00 0.00 H new ATOM 1211 N LEU A 84 145.307 4.735 -4.765 1.00 0.00 N ATOM 1212 CA LEU A 84 144.147 4.776 -3.883 1.00 0.00 C ATOM 1213 C LEU A 84 142.855 4.587 -4.673 1.00 0.00 C ATOM 1214 O LEU A 84 141.893 4.002 -4.176 1.00 0.00 O ATOM 1215 CB LEU A 84 144.108 6.105 -3.127 1.00 0.00 C ATOM 1216 CG LEU A 84 142.878 6.316 -2.242 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.016 5.538 -0.942 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.672 7.795 -1.961 1.00 0.00 C ATOM 0 H LEU A 84 145.877 5.581 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 84 144.234 3.959 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.000 6.177 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.158 6.918 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 84 142.003 5.942 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.132 5.700 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.114 4.475 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.901 5.881 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.793 7.927 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.548 8.194 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.527 8.327 -2.901 1.00 0.00 H new ATOM 1230 N LYS A 85 142.843 5.085 -5.904 1.00 0.00 N ATOM 1231 CA LYS A 85 141.670 4.971 -6.764 1.00 0.00 C ATOM 1232 C LYS A 85 141.371 3.510 -7.086 1.00 0.00 C ATOM 1233 O LYS A 85 140.226 3.147 -7.355 1.00 0.00 O ATOM 1234 CB LYS A 85 141.882 5.757 -8.059 1.00 0.00 C ATOM 1235 CG LYS A 85 143.234 5.509 -8.708 1.00 0.00 C ATOM 1236 CD LYS A 85 144.209 6.639 -8.416 1.00 0.00 C ATOM 1237 CE LYS A 85 145.050 6.980 -9.635 1.00 0.00 C ATOM 1238 NZ LYS A 85 145.823 8.237 -9.443 1.00 0.00 N ATOM 0 H LYS A 85 143.632 5.572 -6.329 1.00 0.00 H new ATOM 0 HA LYS A 85 140.817 5.389 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 85 141.095 5.494 -8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 85 141.779 6.822 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.646 4.568 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 85 143.108 5.406 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 85 143.657 7.523 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 85 144.862 6.353 -7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 85 145.737 6.160 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 85 144.402 7.082 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 146.383 8.434 -10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 145.167 9.025 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 146.460 8.132 -8.628 1.00 0.00 H new ATOM 1252 N SER A 86 142.405 2.675 -7.058 1.00 0.00 N ATOM 1253 CA SER A 86 142.248 1.255 -7.348 1.00 0.00 C ATOM 1254 C SER A 86 142.150 0.442 -6.061 1.00 0.00 C ATOM 1255 O SER A 86 142.547 -0.722 -6.017 1.00 0.00 O ATOM 1256 CB SER A 86 143.421 0.752 -8.193 1.00 0.00 C ATOM 1257 OG SER A 86 143.705 1.648 -9.254 1.00 0.00 O ATOM 0 H SER A 86 143.360 2.958 -6.837 1.00 0.00 H new ATOM 0 HA SER A 86 141.322 1.126 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.304 0.637 -7.564 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.187 -0.233 -8.597 1.00 0.00 H new ATOM 0 HG SER A 86 144.459 1.306 -9.778 1.00 0.00 H new ATOM 1263 N CYS A 87 141.618 1.064 -5.012 1.00 0.00 N ATOM 1264 CA CYS A 87 141.467 0.398 -3.724 1.00 0.00 C ATOM 1265 C CYS A 87 139.994 0.260 -3.353 1.00 0.00 C ATOM 1266 O CYS A 87 139.165 1.081 -3.747 1.00 0.00 O ATOM 1267 CB CYS A 87 142.207 1.175 -2.634 1.00 0.00 C ATOM 1268 SG CYS A 87 143.989 0.867 -2.590 1.00 0.00 S ATOM 0 H CYS A 87 141.285 2.028 -5.030 1.00 0.00 H new ATOM 0 HA CYS A 87 141.899 -0.599 -3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 87 142.037 2.241 -2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.780 0.917 -1.665 1.00 0.00 H new ATOM 0 HG CYS A 87 144.555 1.446 -3.607 1.00 0.00 H new ATOM 1274 N ARG A 88 139.674 -0.783 -2.595 1.00 0.00 N ATOM 1275 CA ARG A 88 138.300 -1.027 -2.172 1.00 0.00 C ATOM 1276 C ARG A 88 138.226 -1.247 -0.662 1.00 0.00 C ATOM 1277 O ARG A 88 139.134 -1.828 -0.067 1.00 0.00 O ATOM 1278 CB ARG A 88 137.728 -2.243 -2.903 1.00 0.00 C ATOM 1279 CG ARG A 88 137.135 -1.911 -4.264 1.00 0.00 C ATOM 1280 CD ARG A 88 135.620 -1.785 -4.199 1.00 0.00 C ATOM 1281 NE ARG A 88 135.175 -0.413 -4.428 1.00 0.00 N ATOM 1282 CZ ARG A 88 135.192 0.183 -5.618 1.00 0.00 C ATOM 1283 NH1 ARG A 88 135.631 -0.468 -6.688 1.00 0.00 N ATOM 1284 NH2 ARG A 88 134.768 1.433 -5.740 1.00 0.00 N ATOM 0 H ARG A 88 140.347 -1.473 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 88 137.707 -0.147 -2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.517 -2.984 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 88 136.958 -2.701 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.563 -0.978 -4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.406 -2.688 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.169 -2.441 -4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.270 -2.122 -3.223 1.00 0.00 H new ATOM 0 HE ARG A 88 134.831 0.120 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 88 135.958 -1.430 -6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 88 135.642 -0.006 -7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 88 134.429 1.939 -4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 88 134.781 1.889 -6.652 1.00 0.00 H new ATOM 1298 N PRO A 89 137.138 -0.787 -0.019 1.00 0.00 N ATOM 1299 CA PRO A 89 136.954 -0.940 1.428 1.00 0.00 C ATOM 1300 C PRO A 89 137.091 -2.390 1.877 1.00 0.00 C ATOM 1301 O PRO A 89 136.444 -3.284 1.330 1.00 0.00 O ATOM 1302 CB PRO A 89 135.526 -0.441 1.664 1.00 0.00 C ATOM 1303 CG PRO A 89 135.249 0.476 0.523 1.00 0.00 C ATOM 1304 CD PRO A 89 136.005 -0.084 -0.649 1.00 0.00 C ATOM 0 HA PRO A 89 137.708 -0.392 1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.817 -1.268 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.441 0.079 2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.181 0.525 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.576 1.491 0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.388 -0.763 -1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.344 0.703 -1.322 1.00 0.00 H new ATOM 1312 N ASP A 90 137.937 -2.618 2.876 1.00 0.00 N ATOM 1313 CA ASP A 90 138.157 -3.961 3.398 1.00 0.00 C ATOM 1314 C ASP A 90 137.366 -4.181 4.683 1.00 0.00 C ATOM 1315 O ASP A 90 137.759 -3.716 5.754 1.00 0.00 O ATOM 1316 CB ASP A 90 139.647 -4.192 3.658 1.00 0.00 C ATOM 1317 CG ASP A 90 140.036 -5.653 3.537 1.00 0.00 C ATOM 1318 OD1 ASP A 90 140.041 -6.174 2.403 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.335 -6.275 4.578 1.00 0.00 O ATOM 0 H ASP A 90 138.481 -1.890 3.340 1.00 0.00 H new ATOM 0 HA ASP A 90 137.810 -4.675 2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.232 -3.604 2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.899 -3.833 4.656 1.00 0.00 H new ATOM 1324 N SER A 91 136.249 -4.893 4.571 1.00 0.00 N ATOM 1325 CA SER A 91 135.403 -5.173 5.725 1.00 0.00 C ATOM 1326 C SER A 91 135.694 -6.560 6.292 1.00 0.00 C ATOM 1327 O SER A 91 134.834 -7.177 6.920 1.00 0.00 O ATOM 1328 CB SER A 91 133.928 -5.070 5.339 1.00 0.00 C ATOM 1329 OG SER A 91 133.139 -4.656 6.440 1.00 0.00 O ATOM 0 H SER A 91 135.909 -5.286 3.693 1.00 0.00 H new ATOM 0 HA SER A 91 135.625 -4.432 6.493 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.813 -4.362 4.519 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.575 -6.036 4.978 1.00 0.00 H new ATOM 0 HG SER A 91 132.200 -4.597 6.166 1.00 0.00 H new ATOM 1335 N ARG A 92 136.912 -7.045 6.069 1.00 0.00 N ATOM 1336 CA ARG A 92 137.312 -8.358 6.561 1.00 0.00 C ATOM 1337 C ARG A 92 137.327 -8.385 8.086 1.00 0.00 C ATOM 1338 O ARG A 92 137.097 -9.426 8.702 1.00 0.00 O ATOM 1339 CB ARG A 92 138.693 -8.731 6.019 1.00 0.00 C ATOM 1340 CG ARG A 92 138.670 -9.221 4.580 1.00 0.00 C ATOM 1341 CD ARG A 92 137.825 -10.475 4.432 1.00 0.00 C ATOM 1342 NE ARG A 92 136.492 -10.179 3.911 1.00 0.00 N ATOM 1343 CZ ARG A 92 136.232 -9.956 2.624 1.00 0.00 C ATOM 1344 NH1 ARG A 92 137.209 -9.994 1.726 1.00 0.00 N ATOM 1345 NH2 ARG A 92 134.992 -9.695 2.235 1.00 0.00 N ATOM 0 H ARG A 92 137.638 -6.549 5.552 1.00 0.00 H new ATOM 0 HA ARG A 92 136.583 -9.088 6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.348 -7.862 6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 92 139.125 -9.507 6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.275 -8.437 3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 92 139.688 -9.426 4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 92 138.328 -11.174 3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 92 137.735 -10.968 5.400 1.00 0.00 H new ATOM 0 HE ARG A 92 135.716 -10.141 4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 92 138.165 -10.195 2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 92 137.004 -9.822 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 92 134.238 -9.665 2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 92 134.792 -9.524 1.250 1.00 0.00 H new ATOM 1359 N PHE A 93 137.598 -7.232 8.690 1.00 0.00 N ATOM 1360 CA PHE A 93 137.643 -7.121 10.144 1.00 0.00 C ATOM 1361 C PHE A 93 136.506 -6.246 10.661 1.00 0.00 C ATOM 1362 O PHE A 93 136.622 -5.622 11.715 1.00 0.00 O ATOM 1363 CB PHE A 93 138.988 -6.547 10.591 1.00 0.00 C ATOM 1364 CG PHE A 93 140.161 -7.413 10.229 1.00 0.00 C ATOM 1365 CD1 PHE A 93 140.480 -7.652 8.903 1.00 0.00 C ATOM 1366 CD2 PHE A 93 140.944 -7.988 11.217 1.00 0.00 C ATOM 1367 CE1 PHE A 93 141.558 -8.449 8.567 1.00 0.00 C ATOM 1368 CE2 PHE A 93 142.023 -8.787 10.889 1.00 0.00 C ATOM 1369 CZ PHE A 93 142.331 -9.016 9.562 1.00 0.00 C ATOM 0 H PHE A 93 137.790 -6.361 8.195 1.00 0.00 H new ATOM 0 HA PHE A 93 137.525 -8.121 10.562 1.00 0.00 H new ATOM 0 HB2 PHE A 93 139.121 -5.563 10.142 1.00 0.00 H new ATOM 0 HB3 PHE A 93 138.972 -6.405 11.672 1.00 0.00 H new ATOM 0 HD1 PHE A 93 139.879 -7.210 8.122 1.00 0.00 H new ATOM 0 HD2 PHE A 93 140.708 -7.810 12.256 1.00 0.00 H new ATOM 0 HE1 PHE A 93 141.796 -8.628 7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 93 142.624 -9.231 11.669 1.00 0.00 H new ATOM 0 HZ PHE A 93 143.175 -9.638 9.303 1.00 0.00 H new ATOM 1379 N ALA A 94 135.407 -6.203 9.912 1.00 0.00 N ATOM 1380 CA ALA A 94 134.252 -5.403 10.300 1.00 0.00 C ATOM 1381 C ALA A 94 133.515 -6.036 11.474 1.00 0.00 C ATOM 1382 O ALA A 94 133.186 -7.221 11.448 1.00 0.00 O ATOM 1383 CB ALA A 94 133.311 -5.227 9.116 1.00 0.00 C ATOM 0 H ALA A 94 135.293 -6.712 9.035 1.00 0.00 H new ATOM 0 HA ALA A 94 134.609 -4.423 10.616 1.00 0.00 H new ATOM 0 HB1 ALA A 94 132.453 -4.628 9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 94 133.837 -4.723 8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 94 132.969 -6.204 8.775 1.00 0.00 H new ATOM 1389 N SER A 95 133.257 -5.236 12.504 1.00 0.00 N ATOM 1390 CA SER A 95 132.557 -5.717 13.689 1.00 0.00 C ATOM 1391 C SER A 95 131.078 -5.939 13.396 1.00 0.00 C ATOM 1392 O SER A 95 130.347 -4.997 13.093 1.00 0.00 O ATOM 1393 CB SER A 95 132.718 -4.723 14.840 1.00 0.00 C ATOM 1394 OG SER A 95 134.071 -4.626 15.247 1.00 0.00 O ATOM 0 H SER A 95 133.522 -4.252 12.541 1.00 0.00 H new ATOM 0 HA SER A 95 132.997 -6.671 13.978 1.00 0.00 H new ATOM 0 HB2 SER A 95 132.357 -3.742 14.530 1.00 0.00 H new ATOM 0 HB3 SER A 95 132.103 -5.037 15.684 1.00 0.00 H new ATOM 0 HG SER A 95 134.146 -3.983 15.983 1.00 0.00 H new ATOM 1400 N LEU A 96 130.643 -7.192 13.488 1.00 0.00 N ATOM 1401 CA LEU A 96 129.250 -7.537 13.233 1.00 0.00 C ATOM 1402 C LEU A 96 128.828 -8.744 14.064 1.00 0.00 C ATOM 1403 O LEU A 96 128.824 -9.876 13.579 1.00 0.00 O ATOM 1404 CB LEU A 96 129.039 -7.830 11.746 1.00 0.00 C ATOM 1405 CG LEU A 96 128.713 -6.609 10.885 1.00 0.00 C ATOM 1406 CD1 LEU A 96 129.040 -6.881 9.425 1.00 0.00 C ATOM 1407 CD2 LEU A 96 127.249 -6.224 11.042 1.00 0.00 C ATOM 0 H LEU A 96 131.235 -7.984 13.737 1.00 0.00 H new ATOM 0 HA LEU A 96 128.633 -6.686 13.520 1.00 0.00 H new ATOM 0 HB2 LEU A 96 129.939 -8.302 11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 96 128.230 -8.553 11.645 1.00 0.00 H new ATOM 0 HG LEU A 96 129.328 -5.775 11.223 1.00 0.00 H new ATOM 0 HD11 LEU A 96 128.801 -6.001 8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 96 130.101 -7.109 9.326 1.00 0.00 H new ATOM 0 HD13 LEU A 96 128.452 -7.729 9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 96 127.033 -5.353 10.423 1.00 0.00 H new ATOM 0 HD22 LEU A 96 126.618 -7.056 10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 96 127.045 -5.986 12.086 1.00 0.00 H new ATOM 1419 N GLN A 97 128.471 -8.495 15.320 1.00 0.00 N ATOM 1420 CA GLN A 97 128.046 -9.560 16.220 1.00 0.00 C ATOM 1421 C GLN A 97 126.659 -9.272 16.790 1.00 0.00 C ATOM 1422 O GLN A 97 126.264 -8.114 16.928 1.00 0.00 O ATOM 1423 CB GLN A 97 129.053 -9.725 17.361 1.00 0.00 C ATOM 1424 CG GLN A 97 130.174 -10.704 17.045 1.00 0.00 C ATOM 1425 CD GLN A 97 130.874 -11.208 18.292 1.00 0.00 C ATOM 1426 OE1 GLN A 97 130.231 -11.632 19.251 1.00 0.00 O ATOM 1427 NE2 GLN A 97 132.201 -11.162 18.283 1.00 0.00 N ATOM 0 H GLN A 97 128.468 -7.564 15.737 1.00 0.00 H new ATOM 0 HA GLN A 97 127.999 -10.486 15.648 1.00 0.00 H new ATOM 0 HB2 GLN A 97 129.486 -8.753 17.596 1.00 0.00 H new ATOM 0 HB3 GLN A 97 128.527 -10.064 18.253 1.00 0.00 H new ATOM 0 HG2 GLN A 97 129.767 -11.551 16.493 1.00 0.00 H new ATOM 0 HG3 GLN A 97 130.902 -10.220 16.394 1.00 0.00 H new ATOM 0 HE21 GLN A 97 132.693 -10.802 17.465 1.00 0.00 H new ATOM 0 HE22 GLN A 97 132.728 -11.486 19.094 1.00 0.00 H new ATOM 1436 N PRO A 98 125.898 -10.327 17.129 1.00 0.00 N ATOM 1437 CA PRO A 98 124.549 -10.181 17.686 1.00 0.00 C ATOM 1438 C PRO A 98 124.566 -9.615 19.102 1.00 0.00 C ATOM 1439 O PRO A 98 125.628 -9.439 19.699 1.00 0.00 O ATOM 1440 CB PRO A 98 124.009 -11.613 17.690 1.00 0.00 C ATOM 1441 CG PRO A 98 125.221 -12.475 17.756 1.00 0.00 C ATOM 1442 CD PRO A 98 126.294 -11.743 16.998 1.00 0.00 C ATOM 0 HA PRO A 98 123.942 -9.484 17.107 1.00 0.00 H new ATOM 0 HB2 PRO A 98 123.353 -11.786 18.543 1.00 0.00 H new ATOM 0 HB3 PRO A 98 123.426 -11.818 16.793 1.00 0.00 H new ATOM 0 HG2 PRO A 98 125.522 -12.646 18.790 1.00 0.00 H new ATOM 0 HG3 PRO A 98 125.029 -13.452 17.314 1.00 0.00 H new ATOM 0 HD2 PRO A 98 127.281 -11.925 17.422 1.00 0.00 H new ATOM 0 HD3 PRO A 98 126.333 -12.055 15.954 1.00 0.00 H new ATOM 1450 N SER A 99 123.382 -9.331 19.634 1.00 0.00 N ATOM 1451 CA SER A 99 123.259 -8.784 20.981 1.00 0.00 C ATOM 1452 C SER A 99 122.426 -9.703 21.868 1.00 0.00 C ATOM 1453 O SER A 99 121.262 -9.977 21.575 1.00 0.00 O ATOM 1454 CB SER A 99 122.626 -7.392 20.932 1.00 0.00 C ATOM 1455 OG SER A 99 123.485 -6.463 20.292 1.00 0.00 O ATOM 0 H SER A 99 122.493 -9.470 19.153 1.00 0.00 H new ATOM 0 HA SER A 99 124.259 -8.707 21.408 1.00 0.00 H new ATOM 0 HB2 SER A 99 121.676 -7.440 20.400 1.00 0.00 H new ATOM 0 HB3 SER A 99 122.408 -7.052 21.945 1.00 0.00 H new ATOM 0 HG SER A 99 123.057 -5.582 20.272 1.00 0.00 H new ATOM 1461 N GLY A 100 123.030 -10.177 22.953 1.00 0.00 N ATOM 1462 CA GLY A 100 122.328 -11.060 23.866 1.00 0.00 C ATOM 1463 C GLY A 100 123.264 -11.750 24.840 1.00 0.00 C ATOM 1464 O GLY A 100 124.480 -11.744 24.645 1.00 0.00 O ATOM 0 H GLY A 100 123.993 -9.965 23.216 1.00 0.00 H new ATOM 0 HA2 GLY A 100 121.587 -10.487 24.423 1.00 0.00 H new ATOM 0 HA3 GLY A 100 121.785 -11.812 23.294 1.00 0.00 H new ATOM 1468 N PRO A 101 122.723 -12.361 25.909 1.00 0.00 N ATOM 1469 CA PRO A 101 123.532 -13.058 26.914 1.00 0.00 C ATOM 1470 C PRO A 101 124.481 -14.075 26.289 1.00 0.00 C ATOM 1471 O PRO A 101 124.058 -15.142 25.844 1.00 0.00 O ATOM 1472 CB PRO A 101 122.490 -13.764 27.784 1.00 0.00 C ATOM 1473 CG PRO A 101 121.251 -12.951 27.626 1.00 0.00 C ATOM 1474 CD PRO A 101 121.283 -12.419 26.220 1.00 0.00 C ATOM 0 HA PRO A 101 124.173 -12.372 27.467 1.00 0.00 H new ATOM 0 HB2 PRO A 101 122.333 -14.792 27.458 1.00 0.00 H new ATOM 0 HB3 PRO A 101 122.807 -13.805 28.826 1.00 0.00 H new ATOM 0 HG2 PRO A 101 120.361 -13.558 27.794 1.00 0.00 H new ATOM 0 HG3 PRO A 101 121.223 -12.137 28.351 1.00 0.00 H new ATOM 0 HD2 PRO A 101 120.749 -13.073 25.531 1.00 0.00 H new ATOM 0 HD3 PRO A 101 120.817 -11.436 26.152 1.00 0.00 H new ATOM 1482 N SER A 102 125.766 -13.737 26.259 1.00 0.00 N ATOM 1483 CA SER A 102 126.776 -14.621 25.688 1.00 0.00 C ATOM 1484 C SER A 102 128.162 -14.283 26.226 1.00 0.00 C ATOM 1485 O SER A 102 128.405 -13.168 26.686 1.00 0.00 O ATOM 1486 CB SER A 102 126.769 -14.520 24.162 1.00 0.00 C ATOM 1487 OG SER A 102 127.881 -15.196 23.599 1.00 0.00 O ATOM 0 H SER A 102 126.133 -12.858 26.623 1.00 0.00 H new ATOM 0 HA SER A 102 126.533 -15.643 25.978 1.00 0.00 H new ATOM 0 HB2 SER A 102 125.845 -14.946 23.771 1.00 0.00 H new ATOM 0 HB3 SER A 102 126.788 -13.472 23.864 1.00 0.00 H new ATOM 0 HG SER A 102 127.852 -15.117 22.623 1.00 0.00 H new ATOM 1493 N SER A 103 129.067 -15.254 26.164 1.00 0.00 N ATOM 1494 CA SER A 103 130.431 -15.060 26.645 1.00 0.00 C ATOM 1495 C SER A 103 131.329 -16.216 26.219 1.00 0.00 C ATOM 1496 O SER A 103 131.152 -17.349 26.666 1.00 0.00 O ATOM 1497 CB SER A 103 130.442 -14.924 28.169 1.00 0.00 C ATOM 1498 OG SER A 103 130.264 -16.183 28.794 1.00 0.00 O ATOM 0 H SER A 103 128.881 -16.183 25.786 1.00 0.00 H new ATOM 0 HA SER A 103 130.818 -14.142 26.202 1.00 0.00 H new ATOM 0 HB2 SER A 103 131.386 -14.485 28.491 1.00 0.00 H new ATOM 0 HB3 SER A 103 129.650 -14.244 28.482 1.00 0.00 H new ATOM 0 HG SER A 103 130.209 -16.883 28.110 1.00 0.00 H new ATOM 1504 N GLY A 104 132.292 -15.922 25.352 1.00 0.00 N ATOM 1505 CA GLY A 104 133.203 -16.947 24.880 1.00 0.00 C ATOM 1506 C GLY A 104 132.655 -17.708 23.689 1.00 0.00 C ATOM 1507 O GLY A 104 133.079 -17.416 22.551 1.00 0.00 O ATOM 1508 OXT GLY A 104 131.800 -18.596 23.893 1.00 0.00 O ATOM 0 H GLY A 104 132.458 -14.992 24.968 1.00 0.00 H new ATOM 0 HA2 GLY A 104 134.153 -16.487 24.607 1.00 0.00 H new ATOM 0 HA3 GLY A 104 133.409 -17.646 25.690 1.00 0.00 H new TER 1512 GLY A 104