USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.19 K(o=0.54,f=-3.2!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -172:sc= 0.352 (180deg=0) USER MOD Set 2.1: A 34 ASN : amide:sc= 2.05 K(o=1.9,f=-2.1) USER MOD Set 2.2: A 54 TYR OH : rot -151:sc= -0.145 USER MOD Set 3.1: A 4 LYS NZ :NH3+ 157:sc= 1.13 (180deg=0.719) USER MOD Set 3.2: A 10 TYR OH : rot 80:sc= -0.0107 USER MOD Set 4.1: A 5 HIS : no HE2:sc= 0.954 K(o=0.95,f=-5.5!) USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -27:sc= 0.0797 USER MOD Single : A 11 THR OG1 : rot -83:sc= 0.799 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= -0.858 (180deg=-1.64!) USER MOD Single : A 23 CYS SG : rot 67:sc= 0.579 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= -2.43! (180deg=-3.3!) USER MOD Single : A 44 THR OG1 : rot 100:sc= -1.88! USER MOD Single : A 46 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-10!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.115 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.178 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 1.17 (180deg=1.07) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 1.18 (180deg=0.918) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00627 USER MOD Single : A 84 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0821) USER MOD Single : A 85 GLN : amide:sc= -1.37! C(o=-1.4!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 11.346 6.570 -10.180 1.00 0.00 N ATOM 2 CA GLU A 2 11.024 7.870 -9.597 1.00 0.00 C ATOM 3 C GLU A 2 11.025 7.763 -8.073 1.00 0.00 C ATOM 4 O GLU A 2 10.883 6.662 -7.517 1.00 0.00 O ATOM 5 CB GLU A 2 9.644 8.372 -10.111 1.00 0.00 C ATOM 6 CG GLU A 2 9.212 9.739 -9.570 1.00 0.00 C ATOM 7 CD GLU A 2 10.197 10.845 -9.896 1.00 0.00 C ATOM 8 OE1 GLU A 2 11.340 10.813 -9.385 1.00 0.00 O ATOM 9 OE2 GLU A 2 9.855 11.754 -10.672 1.00 0.00 O ATOM 0 HA GLU A 2 11.780 8.594 -9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.674 8.421 -11.199 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.885 7.636 -9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.237 9.995 -9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.092 9.674 -8.489 1.00 0.00 H new ATOM 16 N LEU A 3 11.216 8.885 -7.413 1.00 0.00 N ATOM 17 CA LEU A 3 11.141 8.975 -5.985 1.00 0.00 C ATOM 18 C LEU A 3 10.026 9.913 -5.603 1.00 0.00 C ATOM 19 O LEU A 3 9.665 10.814 -6.363 1.00 0.00 O ATOM 20 CB LEU A 3 12.463 9.415 -5.355 1.00 0.00 C ATOM 21 CG LEU A 3 13.611 8.409 -5.417 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.861 9.002 -4.794 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.226 7.117 -4.704 1.00 0.00 C ATOM 0 H LEU A 3 11.431 9.772 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 3 10.933 7.978 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.786 10.333 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.279 9.660 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 3 13.816 8.179 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.672 8.276 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.146 9.903 -5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.664 9.254 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.055 6.411 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.999 7.332 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.349 6.684 -5.185 1.00 0.00 H new ATOM 35 N LYS A 4 9.491 9.707 -4.457 1.00 0.00 N ATOM 36 CA LYS A 4 8.367 10.469 -3.966 1.00 0.00 C ATOM 37 C LYS A 4 8.711 11.142 -2.668 1.00 0.00 C ATOM 38 O LYS A 4 9.851 11.089 -2.232 1.00 0.00 O ATOM 39 CB LYS A 4 7.180 9.522 -3.780 1.00 0.00 C ATOM 40 CG LYS A 4 7.546 8.180 -3.198 1.00 0.00 C ATOM 41 CD LYS A 4 7.913 8.186 -1.738 1.00 0.00 C ATOM 42 CE LYS A 4 8.107 6.765 -1.257 1.00 0.00 C ATOM 43 NZ LYS A 4 9.053 5.980 -2.110 1.00 0.00 N ATOM 0 H LYS A 4 9.818 8.992 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 4 8.109 11.247 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.447 10.000 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.698 9.368 -4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.706 7.500 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.385 7.774 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.827 8.760 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.129 8.673 -1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.480 6.782 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.141 6.260 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.447 5.192 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.545 5.603 -2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.825 6.598 -2.431 1.00 0.00 H new ATOM 57 N HIS A 5 7.743 11.778 -2.063 1.00 0.00 N ATOM 58 CA HIS A 5 7.947 12.336 -0.747 1.00 0.00 C ATOM 59 C HIS A 5 7.002 11.661 0.274 1.00 0.00 C ATOM 60 O HIS A 5 7.302 11.621 1.462 1.00 0.00 O ATOM 61 CB HIS A 5 7.771 13.879 -0.746 1.00 0.00 C ATOM 62 CG HIS A 5 6.354 14.355 -0.905 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.655 14.326 -2.087 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.491 14.820 0.026 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.425 14.748 -1.852 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.263 15.067 -0.571 1.00 0.00 N ATOM 0 H HIS A 5 6.812 11.923 -2.454 1.00 0.00 H new ATOM 0 HA HIS A 5 8.976 12.133 -0.449 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.169 14.275 0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.373 14.299 -1.552 1.00 0.00 H new ATOM 0 HD1 HIS A 5 6.022 14.030 -2.991 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.721 14.975 1.070 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.652 14.824 -2.602 1.00 0.00 H new ATOM 74 N SER A 6 5.867 11.113 -0.202 1.00 0.00 N ATOM 75 CA SER A 6 4.880 10.517 0.697 1.00 0.00 C ATOM 76 C SER A 6 3.908 9.631 -0.081 1.00 0.00 C ATOM 77 O SER A 6 4.117 9.377 -1.277 1.00 0.00 O ATOM 78 CB SER A 6 4.089 11.641 1.373 1.00 0.00 C ATOM 79 OG SER A 6 3.370 12.400 0.401 1.00 0.00 O ATOM 0 H SER A 6 5.620 11.074 -1.191 1.00 0.00 H new ATOM 0 HA SER A 6 5.398 9.908 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.395 11.219 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.769 12.293 1.922 1.00 0.00 H new ATOM 0 HG SER A 6 2.869 13.113 0.848 1.00 0.00 H new ATOM 85 N ILE A 7 2.848 9.183 0.606 1.00 0.00 N ATOM 86 CA ILE A 7 1.764 8.421 -0.006 1.00 0.00 C ATOM 87 C ILE A 7 0.943 9.340 -0.923 1.00 0.00 C ATOM 88 O ILE A 7 0.440 8.916 -1.956 1.00 0.00 O ATOM 89 CB ILE A 7 0.821 7.770 1.084 1.00 0.00 C ATOM 90 CG1 ILE A 7 -0.289 6.927 0.437 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.213 8.823 2.009 1.00 0.00 C ATOM 92 CD1 ILE A 7 -1.199 6.231 1.434 1.00 0.00 C ATOM 0 H ILE A 7 2.723 9.343 1.606 1.00 0.00 H new ATOM 0 HA ILE A 7 2.206 7.613 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 7 1.446 7.111 1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.893 7.570 -0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.168 6.176 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.428 8.336 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.010 9.360 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.378 9.526 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.955 5.657 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.609 5.560 2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.687 6.976 2.063 1.00 0.00 H new ATOM 104 N SER A 8 0.894 10.623 -0.571 1.00 0.00 N ATOM 105 CA SER A 8 0.103 11.591 -1.298 1.00 0.00 C ATOM 106 C SER A 8 0.830 12.030 -2.577 1.00 0.00 C ATOM 107 O SER A 8 0.288 12.767 -3.401 1.00 0.00 O ATOM 108 CB SER A 8 -0.242 12.792 -0.376 1.00 0.00 C ATOM 109 OG SER A 8 -1.180 13.676 -0.976 1.00 0.00 O ATOM 0 H SER A 8 1.402 11.011 0.224 1.00 0.00 H new ATOM 0 HA SER A 8 -0.836 11.132 -1.608 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.646 12.421 0.566 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.670 13.339 -0.138 1.00 0.00 H new ATOM 0 HG SER A 8 -1.103 13.622 -1.951 1.00 0.00 H new ATOM 115 N ASP A 9 2.062 11.576 -2.734 1.00 0.00 N ATOM 116 CA ASP A 9 2.838 11.840 -3.950 1.00 0.00 C ATOM 117 C ASP A 9 2.377 10.869 -5.022 1.00 0.00 C ATOM 118 O ASP A 9 2.377 11.171 -6.213 1.00 0.00 O ATOM 119 CB ASP A 9 4.319 11.613 -3.668 1.00 0.00 C ATOM 120 CG ASP A 9 5.262 12.147 -4.737 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.354 11.579 -5.841 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.995 13.099 -4.438 1.00 0.00 O ATOM 0 H ASP A 9 2.555 11.020 -2.035 1.00 0.00 H new ATOM 0 HA ASP A 9 2.691 12.869 -4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.569 12.081 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.492 10.543 -3.552 1.00 0.00 H new ATOM 127 N TYR A 10 1.939 9.717 -4.578 1.00 0.00 N ATOM 128 CA TYR A 10 1.466 8.681 -5.456 1.00 0.00 C ATOM 129 C TYR A 10 0.021 8.897 -5.773 1.00 0.00 C ATOM 130 O TYR A 10 -0.747 9.305 -4.911 1.00 0.00 O ATOM 131 CB TYR A 10 1.583 7.304 -4.799 1.00 0.00 C ATOM 132 CG TYR A 10 2.972 6.761 -4.656 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.550 6.056 -5.696 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.701 6.912 -3.484 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.805 5.524 -5.577 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.944 6.391 -3.373 1.00 0.00 C ATOM 137 CZ TYR A 10 5.500 5.698 -4.413 1.00 0.00 C ATOM 138 OH TYR A 10 6.762 5.164 -4.275 1.00 0.00 O ATOM 0 H TYR A 10 1.901 9.472 -3.589 1.00 0.00 H new ATOM 0 HA TYR A 10 2.077 8.719 -6.358 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.131 7.356 -3.809 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.995 6.594 -5.381 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.002 5.923 -6.617 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.271 7.451 -2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.242 4.972 -6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.501 6.523 -2.457 1.00 0.00 H new ATOM 0 HH TYR A 10 7.413 5.744 -4.722 1.00 0.00 H new ATOM 148 N THR A 11 -0.355 8.652 -6.995 1.00 0.00 N ATOM 149 CA THR A 11 -1.744 8.623 -7.326 1.00 0.00 C ATOM 150 C THR A 11 -2.259 7.268 -6.873 1.00 0.00 C ATOM 151 O THR A 11 -1.442 6.362 -6.602 1.00 0.00 O ATOM 152 CB THR A 11 -1.967 8.786 -8.842 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.153 7.845 -9.550 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.638 10.195 -9.299 1.00 0.00 C ATOM 0 H THR A 11 0.279 8.471 -7.773 1.00 0.00 H new ATOM 0 HA THR A 11 -2.268 9.445 -6.839 1.00 0.00 H new ATOM 0 HB THR A 11 -3.020 8.599 -9.055 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.248 8.207 -9.651 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.806 10.278 -10.373 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.278 10.906 -8.776 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.594 10.415 -9.077 1.00 0.00 H new ATOM 162 N GLU A 12 -3.557 7.107 -6.796 1.00 0.00 N ATOM 163 CA GLU A 12 -4.162 5.863 -6.360 1.00 0.00 C ATOM 164 C GLU A 12 -3.684 4.704 -7.237 1.00 0.00 C ATOM 165 O GLU A 12 -3.411 3.629 -6.747 1.00 0.00 O ATOM 166 CB GLU A 12 -5.681 5.993 -6.396 1.00 0.00 C ATOM 167 CG GLU A 12 -6.434 4.841 -5.771 1.00 0.00 C ATOM 168 CD GLU A 12 -7.908 5.102 -5.748 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.348 5.952 -4.964 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.664 4.462 -6.517 1.00 0.00 O ATOM 0 H GLU A 12 -4.230 7.835 -7.034 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.858 5.651 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.964 6.913 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.998 6.094 -7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.233 3.927 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.076 4.678 -4.755 1.00 0.00 H new ATOM 177 N ALA A 13 -3.514 4.976 -8.515 1.00 0.00 N ATOM 178 CA ALA A 13 -3.057 3.977 -9.475 1.00 0.00 C ATOM 179 C ALA A 13 -1.580 3.606 -9.254 1.00 0.00 C ATOM 180 O ALA A 13 -1.238 2.431 -9.227 1.00 0.00 O ATOM 181 CB ALA A 13 -3.285 4.463 -10.897 1.00 0.00 C ATOM 0 H ALA A 13 -3.687 5.895 -8.923 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.645 3.073 -9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.938 3.706 -11.600 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.348 4.644 -11.054 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.732 5.388 -11.058 1.00 0.00 H new ATOM 187 N GLU A 14 -0.719 4.608 -9.060 1.00 0.00 N ATOM 188 CA GLU A 14 0.728 4.359 -8.835 1.00 0.00 C ATOM 189 C GLU A 14 0.955 3.733 -7.477 1.00 0.00 C ATOM 190 O GLU A 14 1.921 2.996 -7.260 1.00 0.00 O ATOM 191 CB GLU A 14 1.527 5.644 -8.931 1.00 0.00 C ATOM 192 CG GLU A 14 1.474 6.318 -10.277 1.00 0.00 C ATOM 193 CD GLU A 14 2.101 7.677 -10.221 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.480 8.599 -9.628 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.225 7.861 -10.728 1.00 0.00 O ATOM 0 H GLU A 14 -0.984 5.593 -9.052 1.00 0.00 H new ATOM 0 HA GLU A 14 1.066 3.674 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.162 6.340 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.568 5.428 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.991 5.705 -11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.438 6.405 -10.604 1.00 0.00 H new ATOM 202 N PHE A 15 0.082 4.045 -6.564 1.00 0.00 N ATOM 203 CA PHE A 15 0.101 3.455 -5.259 1.00 0.00 C ATOM 204 C PHE A 15 -0.414 2.052 -5.355 1.00 0.00 C ATOM 205 O PHE A 15 0.020 1.188 -4.660 1.00 0.00 O ATOM 206 CB PHE A 15 -0.725 4.278 -4.282 1.00 0.00 C ATOM 207 CG PHE A 15 -0.780 3.700 -2.915 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.177 4.019 -1.978 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.798 2.835 -2.567 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.118 3.482 -0.719 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.863 2.300 -1.321 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.907 2.621 -0.393 1.00 0.00 C ATOM 0 H PHE A 15 -0.668 4.721 -6.706 1.00 0.00 H new ATOM 0 HA PHE A 15 1.123 3.437 -4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.309 5.284 -4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.740 4.374 -4.668 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.978 4.696 -2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.553 2.580 -3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.871 3.732 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.665 1.624 -1.062 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.957 2.197 0.599 1.00 0.00 H new ATOM 222 N LEU A 16 -1.319 1.830 -6.230 1.00 0.00 N ATOM 223 CA LEU A 16 -1.846 0.510 -6.426 1.00 0.00 C ATOM 224 C LEU A 16 -0.800 -0.352 -7.115 1.00 0.00 C ATOM 225 O LEU A 16 -0.808 -1.571 -7.032 1.00 0.00 O ATOM 226 CB LEU A 16 -3.178 0.613 -7.162 1.00 0.00 C ATOM 227 CG LEU A 16 -4.013 -0.609 -7.193 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.471 -0.238 -7.175 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.757 -1.385 -8.406 1.00 0.00 C ATOM 0 H LEU A 16 -1.723 2.545 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.061 0.012 -5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.760 1.412 -6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.977 0.915 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.760 -1.205 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.077 -1.144 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.692 0.324 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.701 0.375 -8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.382 -2.278 -8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.990 -0.779 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.707 -1.677 -8.436 1.00 0.00 H new ATOM 241 N GLU A 17 0.105 0.299 -7.742 1.00 0.00 N ATOM 242 CA GLU A 17 1.260 -0.350 -8.265 1.00 0.00 C ATOM 243 C GLU A 17 2.242 -0.703 -7.121 1.00 0.00 C ATOM 244 O GLU A 17 3.077 -1.566 -7.303 1.00 0.00 O ATOM 245 CB GLU A 17 1.969 0.490 -9.319 1.00 0.00 C ATOM 246 CG GLU A 17 1.184 0.711 -10.589 1.00 0.00 C ATOM 247 CD GLU A 17 1.924 1.587 -11.560 1.00 0.00 C ATOM 248 OE1 GLU A 17 3.029 1.200 -12.022 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.422 2.658 -11.909 1.00 0.00 O ATOM 0 H GLU A 17 0.071 1.304 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 17 0.921 -1.265 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.212 1.460 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.913 0.008 -9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.972 -0.251 -11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.224 1.167 -10.348 1.00 0.00 H new ATOM 256 N PHE A 18 2.127 -0.015 -5.931 1.00 0.00 N ATOM 257 CA PHE A 18 3.009 -0.308 -4.742 1.00 0.00 C ATOM 258 C PHE A 18 2.882 -1.753 -4.445 1.00 0.00 C ATOM 259 O PHE A 18 3.851 -2.498 -4.396 1.00 0.00 O ATOM 260 CB PHE A 18 2.637 0.545 -3.403 1.00 0.00 C ATOM 261 CG PHE A 18 1.839 -0.181 -2.210 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.432 -0.208 -2.149 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.521 -0.827 -1.169 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.243 -0.857 -1.091 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.835 -1.460 -0.132 1.00 0.00 C ATOM 266 CZ PHE A 18 0.468 -1.472 -0.099 1.00 0.00 C ATOM 0 H PHE A 18 1.448 0.729 -5.772 1.00 0.00 H new ATOM 0 HA PHE A 18 4.025 -0.015 -5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.569 0.929 -2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.048 1.407 -3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.141 0.276 -2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.601 -0.835 -1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.323 -0.867 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.391 -1.947 0.655 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.049 -1.967 0.710 1.00 0.00 H new ATOM 276 N VAL A 19 1.664 -2.139 -4.339 1.00 0.00 N ATOM 277 CA VAL A 19 1.315 -3.449 -3.958 1.00 0.00 C ATOM 278 C VAL A 19 1.578 -4.456 -5.063 1.00 0.00 C ATOM 279 O VAL A 19 2.108 -5.520 -4.800 1.00 0.00 O ATOM 280 CB VAL A 19 -0.130 -3.504 -3.413 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.150 -3.041 -4.419 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.458 -4.854 -2.836 1.00 0.00 C ATOM 0 H VAL A 19 0.864 -1.533 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 19 1.969 -3.743 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.181 -2.789 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.146 -3.101 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.940 -2.010 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.103 -3.676 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.482 -4.851 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.355 -5.615 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.225 -5.075 -2.016 1.00 0.00 H new ATOM 292 N LYS A 20 1.256 -4.094 -6.297 1.00 0.00 N ATOM 293 CA LYS A 20 1.512 -4.971 -7.440 1.00 0.00 C ATOM 294 C LYS A 20 3.000 -5.251 -7.571 1.00 0.00 C ATOM 295 O LYS A 20 3.409 -6.368 -7.914 1.00 0.00 O ATOM 296 CB LYS A 20 1.017 -4.360 -8.731 1.00 0.00 C ATOM 297 CG LYS A 20 -0.466 -4.204 -8.798 1.00 0.00 C ATOM 298 CD LYS A 20 -0.885 -3.755 -10.159 1.00 0.00 C ATOM 299 CE LYS A 20 -2.380 -3.712 -10.299 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.804 -3.367 -11.669 1.00 0.00 N ATOM 0 H LYS A 20 0.819 -3.204 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 20 0.971 -5.900 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.481 -3.382 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.345 -4.981 -9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.948 -5.151 -8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.795 -3.480 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.473 -2.766 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.469 -4.429 -10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.796 -4.681 -10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.787 -2.981 -9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.843 -3.349 -11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.430 -2.430 -11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.439 -4.078 -12.335 1.00 0.00 H new ATOM 314 N LYS A 21 3.795 -4.223 -7.299 1.00 0.00 N ATOM 315 CA LYS A 21 5.241 -4.305 -7.284 1.00 0.00 C ATOM 316 C LYS A 21 5.676 -5.280 -6.211 1.00 0.00 C ATOM 317 O LYS A 21 6.516 -6.110 -6.459 1.00 0.00 O ATOM 318 CB LYS A 21 5.843 -2.907 -7.026 1.00 0.00 C ATOM 319 CG LYS A 21 7.361 -2.853 -6.871 1.00 0.00 C ATOM 320 CD LYS A 21 7.857 -1.433 -6.527 1.00 0.00 C ATOM 321 CE LYS A 21 8.018 -0.499 -7.748 1.00 0.00 C ATOM 322 NZ LYS A 21 6.778 -0.282 -8.542 1.00 0.00 N ATOM 0 H LYS A 21 3.440 -3.292 -7.079 1.00 0.00 H new ATOM 0 HA LYS A 21 5.599 -4.660 -8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.558 -2.252 -7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.390 -2.499 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.670 -3.545 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.832 -3.187 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.158 -0.977 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.816 -1.511 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.383 0.468 -7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.784 -0.912 -8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.869 0.593 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.633 -1.086 -9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.964 -0.202 -7.900 1.00 0.00 H new ATOM 336 N ILE A 22 5.062 -5.193 -5.040 1.00 0.00 N ATOM 337 CA ILE A 22 5.376 -6.097 -3.939 1.00 0.00 C ATOM 338 C ILE A 22 4.957 -7.531 -4.282 1.00 0.00 C ATOM 339 O ILE A 22 5.672 -8.483 -3.983 1.00 0.00 O ATOM 340 CB ILE A 22 4.721 -5.655 -2.612 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.156 -4.231 -2.274 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.131 -6.607 -1.490 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.505 -3.656 -1.054 1.00 0.00 C ATOM 0 H ILE A 22 4.341 -4.504 -4.826 1.00 0.00 H new ATOM 0 HA ILE A 22 6.456 -6.062 -3.798 1.00 0.00 H new ATOM 0 HB ILE A 22 3.637 -5.681 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.237 -4.218 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.937 -3.586 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.666 -6.291 -0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.805 -7.618 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.215 -6.593 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.872 -2.643 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.424 -3.632 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.744 -4.274 -0.189 1.00 0.00 H new ATOM 355 N CYS A 23 3.822 -7.669 -4.933 1.00 0.00 N ATOM 356 CA CYS A 23 3.334 -8.954 -5.391 1.00 0.00 C ATOM 357 C CYS A 23 4.358 -9.639 -6.322 1.00 0.00 C ATOM 358 O CYS A 23 4.516 -10.850 -6.292 1.00 0.00 O ATOM 359 CB CYS A 23 1.988 -8.765 -6.106 1.00 0.00 C ATOM 360 SG CYS A 23 0.641 -8.189 -5.044 1.00 0.00 S ATOM 0 H CYS A 23 3.207 -6.888 -5.161 1.00 0.00 H new ATOM 0 HA CYS A 23 3.192 -9.604 -4.528 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.121 -8.052 -6.919 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.696 -9.713 -6.558 1.00 0.00 H new ATOM 0 HG CYS A 23 0.889 -6.975 -4.649 1.00 0.00 H new ATOM 366 N ARG A 24 5.046 -8.838 -7.126 1.00 0.00 N ATOM 367 CA ARG A 24 6.062 -9.325 -8.060 1.00 0.00 C ATOM 368 C ARG A 24 7.492 -9.131 -7.518 1.00 0.00 C ATOM 369 O ARG A 24 8.479 -9.352 -8.218 1.00 0.00 O ATOM 370 CB ARG A 24 5.895 -8.687 -9.435 1.00 0.00 C ATOM 371 CG ARG A 24 6.065 -7.193 -9.487 1.00 0.00 C ATOM 372 CD ARG A 24 5.912 -6.725 -10.901 1.00 0.00 C ATOM 373 NE ARG A 24 6.125 -5.283 -11.053 1.00 0.00 N ATOM 374 CZ ARG A 24 7.065 -4.733 -11.841 1.00 0.00 C ATOM 375 NH1 ARG A 24 8.014 -5.492 -12.395 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.074 -3.430 -12.036 1.00 0.00 N ATOM 0 H ARG A 24 4.917 -7.827 -7.151 1.00 0.00 H new ATOM 0 HA ARG A 24 5.910 -10.399 -8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.616 -9.140 -10.115 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.903 -8.934 -9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.325 -6.709 -8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.047 -6.914 -9.104 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.620 -7.260 -11.534 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.913 -6.979 -11.256 1.00 0.00 H new ATOM 0 HE ARG A 24 5.519 -4.654 -10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.029 -6.497 -12.221 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.724 -5.067 -12.992 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.369 -2.843 -11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.785 -3.009 -12.633 1.00 0.00 H new ATOM 390 N ALA A 25 7.580 -8.724 -6.272 1.00 0.00 N ATOM 391 CA ALA A 25 8.837 -8.389 -5.577 1.00 0.00 C ATOM 392 C ALA A 25 9.627 -9.604 -5.131 1.00 0.00 C ATOM 393 O ALA A 25 10.398 -9.486 -4.185 1.00 0.00 O ATOM 394 CB ALA A 25 8.588 -7.471 -4.399 1.00 0.00 C ATOM 0 H ALA A 25 6.758 -8.608 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 25 9.447 -7.870 -6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.534 -7.243 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.129 -6.546 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.921 -7.961 -3.690 1.00 0.00 H new ATOM 400 N GLU A 26 9.406 -10.753 -5.806 1.00 0.00 N ATOM 401 CA GLU A 26 10.047 -12.063 -5.524 1.00 0.00 C ATOM 402 C GLU A 26 11.462 -11.903 -4.926 1.00 0.00 C ATOM 403 O GLU A 26 11.782 -12.513 -3.898 1.00 0.00 O ATOM 404 CB GLU A 26 10.101 -12.904 -6.800 1.00 0.00 C ATOM 405 CG GLU A 26 8.749 -13.095 -7.479 1.00 0.00 C ATOM 406 CD GLU A 26 7.693 -13.657 -6.556 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.792 -14.834 -6.157 1.00 0.00 O ATOM 408 OE2 GLU A 26 6.729 -12.947 -6.243 1.00 0.00 O ATOM 0 H GLU A 26 8.755 -10.799 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 26 9.438 -12.573 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.786 -12.432 -7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.516 -13.883 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.408 -12.137 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.869 -13.763 -8.332 1.00 0.00 H new ATOM 415 N GLY A 27 12.276 -11.082 -5.586 1.00 0.00 N ATOM 416 CA GLY A 27 13.539 -10.613 -5.049 1.00 0.00 C ATOM 417 C GLY A 27 14.596 -11.649 -4.814 1.00 0.00 C ATOM 418 O GLY A 27 14.456 -12.816 -5.197 1.00 0.00 O ATOM 0 H GLY A 27 12.070 -10.723 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.942 -9.864 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.341 -10.109 -4.103 1.00 0.00 H new ATOM 422 N ALA A 28 15.668 -11.207 -4.197 1.00 0.00 N ATOM 423 CA ALA A 28 16.788 -12.058 -3.886 1.00 0.00 C ATOM 424 C ALA A 28 16.650 -12.620 -2.496 1.00 0.00 C ATOM 425 O ALA A 28 17.028 -13.757 -2.221 1.00 0.00 O ATOM 426 CB ALA A 28 18.077 -11.272 -3.980 1.00 0.00 C ATOM 0 H ALA A 28 15.786 -10.240 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 28 16.807 -12.878 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.918 -11.923 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.193 -10.883 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 28 18.050 -10.443 -3.273 1.00 0.00 H new ATOM 432 N THR A 29 16.135 -11.819 -1.624 1.00 0.00 N ATOM 433 CA THR A 29 15.967 -12.170 -0.253 1.00 0.00 C ATOM 434 C THR A 29 14.655 -11.524 0.172 1.00 0.00 C ATOM 435 O THR A 29 14.264 -10.522 -0.425 1.00 0.00 O ATOM 436 CB THR A 29 17.125 -11.552 0.564 1.00 0.00 C ATOM 437 OG1 THR A 29 18.372 -11.670 -0.169 1.00 0.00 O ATOM 438 CG2 THR A 29 17.289 -12.229 1.917 1.00 0.00 C ATOM 0 H THR A 29 15.811 -10.879 -1.851 1.00 0.00 H new ATOM 0 HA THR A 29 15.962 -13.249 -0.097 1.00 0.00 H new ATOM 0 HB THR A 29 16.878 -10.503 0.728 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.099 -11.274 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.113 -11.765 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.370 -12.120 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.502 -13.288 1.771 1.00 0.00 H new ATOM 446 N GLU A 30 14.007 -12.037 1.201 1.00 0.00 N ATOM 447 CA GLU A 30 12.702 -11.508 1.611 1.00 0.00 C ATOM 448 C GLU A 30 12.812 -10.136 2.260 1.00 0.00 C ATOM 449 O GLU A 30 11.815 -9.436 2.461 1.00 0.00 O ATOM 450 CB GLU A 30 11.895 -12.498 2.466 1.00 0.00 C ATOM 451 CG GLU A 30 12.502 -12.871 3.800 1.00 0.00 C ATOM 452 CD GLU A 30 11.614 -13.820 4.568 1.00 0.00 C ATOM 453 OE1 GLU A 30 10.745 -13.362 5.314 1.00 0.00 O ATOM 454 OE2 GLU A 30 11.766 -15.049 4.424 1.00 0.00 O ATOM 0 H GLU A 30 14.351 -12.811 1.769 1.00 0.00 H new ATOM 0 HA GLU A 30 12.131 -11.373 0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.908 -12.072 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.748 -13.411 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.477 -13.332 3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.668 -11.969 4.390 1.00 0.00 H new ATOM 461 N GLU A 31 14.030 -9.730 2.553 1.00 0.00 N ATOM 462 CA GLU A 31 14.267 -8.407 3.072 1.00 0.00 C ATOM 463 C GLU A 31 14.072 -7.389 1.950 1.00 0.00 C ATOM 464 O GLU A 31 13.883 -6.194 2.184 1.00 0.00 O ATOM 465 CB GLU A 31 15.669 -8.314 3.736 1.00 0.00 C ATOM 466 CG GLU A 31 16.908 -8.572 2.843 1.00 0.00 C ATOM 467 CD GLU A 31 17.196 -7.457 1.865 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.451 -6.321 2.291 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.148 -7.685 0.659 1.00 0.00 O ATOM 0 H GLU A 31 14.868 -10.300 2.439 1.00 0.00 H new ATOM 0 HA GLU A 31 13.548 -8.181 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.769 -7.319 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.697 -9.025 4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.780 -8.718 3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.759 -9.499 2.289 1.00 0.00 H new ATOM 476 N ASP A 32 14.138 -7.876 0.723 1.00 0.00 N ATOM 477 CA ASP A 32 13.940 -7.039 -0.422 1.00 0.00 C ATOM 478 C ASP A 32 12.475 -6.743 -0.584 1.00 0.00 C ATOM 479 O ASP A 32 12.094 -5.606 -0.834 1.00 0.00 O ATOM 480 CB ASP A 32 14.550 -7.616 -1.689 1.00 0.00 C ATOM 481 CG ASP A 32 14.695 -6.537 -2.726 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.268 -5.458 -2.397 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.255 -6.723 -3.873 1.00 0.00 O ATOM 0 H ASP A 32 14.329 -8.854 0.505 1.00 0.00 H new ATOM 0 HA ASP A 32 14.471 -6.103 -0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.524 -8.053 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.921 -8.419 -2.073 1.00 0.00 H new ATOM 488 N ASP A 33 11.657 -7.770 -0.380 1.00 0.00 N ATOM 489 CA ASP A 33 10.195 -7.638 -0.376 1.00 0.00 C ATOM 490 C ASP A 33 9.810 -6.664 0.706 1.00 0.00 C ATOM 491 O ASP A 33 9.231 -5.601 0.453 1.00 0.00 O ATOM 492 CB ASP A 33 9.512 -8.970 0.001 1.00 0.00 C ATOM 493 CG ASP A 33 9.833 -10.147 -0.869 1.00 0.00 C ATOM 494 OD1 ASP A 33 10.969 -10.648 -0.809 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.919 -10.646 -1.566 1.00 0.00 O ATOM 0 H ASP A 33 11.984 -8.721 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 33 9.886 -7.321 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.786 -9.217 1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.433 -8.818 -0.013 1.00 0.00 H new ATOM 500 N ASN A 34 10.197 -7.019 1.919 1.00 0.00 N ATOM 501 CA ASN A 34 9.844 -6.278 3.115 1.00 0.00 C ATOM 502 C ASN A 34 10.325 -4.857 3.118 1.00 0.00 C ATOM 503 O ASN A 34 9.669 -4.020 3.679 1.00 0.00 O ATOM 504 CB ASN A 34 10.288 -6.979 4.390 1.00 0.00 C ATOM 505 CG ASN A 34 9.441 -8.185 4.760 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.440 -8.058 5.464 1.00 0.00 O ATOM 507 ND2 ASN A 34 9.816 -9.346 4.301 1.00 0.00 N ATOM 0 H ASN A 34 10.773 -7.841 2.102 1.00 0.00 H new ATOM 0 HA ASN A 34 8.755 -6.247 3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.324 -7.297 4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.263 -6.264 5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.275 -10.181 4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.651 -9.419 3.720 1.00 0.00 H new ATOM 514 N LYS A 35 11.454 -4.554 2.490 1.00 0.00 N ATOM 515 CA LYS A 35 11.908 -3.169 2.510 1.00 0.00 C ATOM 516 C LYS A 35 11.001 -2.312 1.649 1.00 0.00 C ATOM 517 O LYS A 35 10.801 -1.131 1.944 1.00 0.00 O ATOM 518 CB LYS A 35 13.369 -2.971 2.083 1.00 0.00 C ATOM 519 CG LYS A 35 13.636 -3.181 0.600 1.00 0.00 C ATOM 520 CD LYS A 35 15.005 -2.665 0.196 1.00 0.00 C ATOM 521 CE LYS A 35 16.135 -3.445 0.834 1.00 0.00 C ATOM 522 NZ LYS A 35 16.066 -4.870 0.487 1.00 0.00 N ATOM 0 H LYS A 35 12.047 -5.211 1.984 1.00 0.00 H new ATOM 0 HA LYS A 35 11.857 -2.858 3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.678 -1.961 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.995 -3.659 2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.563 -4.243 0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.869 -2.672 0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.102 -2.714 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.090 -1.615 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.091 -3.036 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.092 -3.330 1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.001 -5.306 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.372 -5.343 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.777 -4.972 -0.507 1.00 0.00 H new ATOM 536 N LEU A 36 10.449 -2.899 0.577 1.00 0.00 N ATOM 537 CA LEU A 36 9.505 -2.171 -0.245 1.00 0.00 C ATOM 538 C LEU A 36 8.292 -1.957 0.592 1.00 0.00 C ATOM 539 O LEU A 36 7.836 -0.838 0.773 1.00 0.00 O ATOM 540 CB LEU A 36 9.124 -2.948 -1.519 1.00 0.00 C ATOM 541 CG LEU A 36 10.270 -3.322 -2.457 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.748 -4.109 -3.641 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.991 -2.077 -2.935 1.00 0.00 C ATOM 0 H LEU A 36 10.641 -3.854 0.274 1.00 0.00 H new ATOM 0 HA LEU A 36 9.951 -1.232 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.615 -3.864 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.405 -2.352 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 36 10.976 -3.945 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.577 -4.368 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.267 -5.021 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.024 -3.505 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.805 -2.361 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.292 -1.434 -3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.396 -1.539 -2.078 1.00 0.00 H new ATOM 555 N VAL A 37 7.848 -3.050 1.185 1.00 0.00 N ATOM 556 CA VAL A 37 6.703 -3.069 2.071 1.00 0.00 C ATOM 557 C VAL A 37 6.825 -1.998 3.144 1.00 0.00 C ATOM 558 O VAL A 37 5.928 -1.223 3.329 1.00 0.00 O ATOM 559 CB VAL A 37 6.526 -4.460 2.758 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.339 -4.422 3.694 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.306 -5.542 1.727 1.00 0.00 C ATOM 0 H VAL A 37 8.282 -3.965 1.061 1.00 0.00 H new ATOM 0 HA VAL A 37 5.827 -2.868 1.454 1.00 0.00 H new ATOM 0 HB VAL A 37 7.435 -4.682 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.220 -5.395 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.502 -3.661 4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.438 -4.182 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.185 -6.503 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.409 -5.318 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.165 -5.587 1.058 1.00 0.00 H new ATOM 571 N ARG A 38 7.954 -1.945 3.801 1.00 0.00 N ATOM 572 CA ARG A 38 8.159 -1.012 4.885 1.00 0.00 C ATOM 573 C ARG A 38 8.213 0.435 4.436 1.00 0.00 C ATOM 574 O ARG A 38 7.695 1.289 5.136 1.00 0.00 O ATOM 575 CB ARG A 38 9.377 -1.365 5.712 1.00 0.00 C ATOM 576 CG ARG A 38 9.248 -2.697 6.400 1.00 0.00 C ATOM 577 CD ARG A 38 10.447 -3.019 7.245 1.00 0.00 C ATOM 578 NE ARG A 38 11.662 -3.108 6.443 1.00 0.00 N ATOM 579 CZ ARG A 38 12.467 -4.171 6.366 1.00 0.00 C ATOM 580 NH1 ARG A 38 12.153 -5.311 6.989 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.575 -4.100 5.639 1.00 0.00 N ATOM 0 H ARG A 38 8.756 -2.543 3.603 1.00 0.00 H new ATOM 0 HA ARG A 38 7.276 -1.108 5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.257 -1.377 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.540 -0.589 6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.355 -2.696 7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.113 -3.478 5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.571 -2.252 8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.284 -3.963 7.765 1.00 0.00 H new ATOM 0 HE ARG A 38 11.919 -2.288 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.291 -5.376 7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.775 -6.116 6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.806 -3.238 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.195 -4.907 5.575 1.00 0.00 H new ATOM 595 N GLU A 39 8.809 0.737 3.270 1.00 0.00 N ATOM 596 CA GLU A 39 8.835 2.142 2.848 1.00 0.00 C ATOM 597 C GLU A 39 7.424 2.585 2.543 1.00 0.00 C ATOM 598 O GLU A 39 7.022 3.698 2.885 1.00 0.00 O ATOM 599 CB GLU A 39 9.770 2.448 1.650 1.00 0.00 C ATOM 600 CG GLU A 39 9.301 1.954 0.288 1.00 0.00 C ATOM 601 CD GLU A 39 10.155 2.484 -0.831 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.201 1.873 -1.145 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.823 3.544 -1.403 1.00 0.00 O ATOM 0 H GLU A 39 9.253 0.071 2.638 1.00 0.00 H new ATOM 0 HA GLU A 39 9.257 2.707 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.912 3.527 1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.746 2.009 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.319 0.864 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.266 2.258 0.129 1.00 0.00 H new ATOM 610 N PHE A 40 6.660 1.670 1.961 1.00 0.00 N ATOM 611 CA PHE A 40 5.292 1.916 1.638 1.00 0.00 C ATOM 612 C PHE A 40 4.434 1.944 2.893 1.00 0.00 C ATOM 613 O PHE A 40 3.520 2.740 2.997 1.00 0.00 O ATOM 614 CB PHE A 40 4.768 0.906 0.612 1.00 0.00 C ATOM 615 CG PHE A 40 5.405 1.020 -0.767 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.389 2.219 -1.462 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.017 -0.071 -1.358 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.971 2.320 -2.711 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.601 0.023 -2.604 1.00 0.00 C ATOM 620 CZ PHE A 40 6.579 1.217 -3.282 1.00 0.00 C ATOM 0 H PHE A 40 6.988 0.739 1.706 1.00 0.00 H new ATOM 0 HA PHE A 40 5.229 2.901 1.175 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.935 -0.101 0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.690 1.034 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.916 3.085 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.038 -1.015 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.951 3.261 -3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.075 -0.841 -3.046 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.035 1.294 -4.258 1.00 0.00 H new ATOM 630 N GLU A 41 4.779 1.112 3.862 1.00 0.00 N ATOM 631 CA GLU A 41 4.062 1.032 5.117 1.00 0.00 C ATOM 632 C GLU A 41 4.288 2.273 5.980 1.00 0.00 C ATOM 633 O GLU A 41 3.473 2.633 6.809 1.00 0.00 O ATOM 634 CB GLU A 41 4.409 -0.254 5.865 1.00 0.00 C ATOM 635 CG GLU A 41 3.162 -0.996 6.273 1.00 0.00 C ATOM 636 CD GLU A 41 2.374 -0.253 7.305 1.00 0.00 C ATOM 637 OE1 GLU A 41 2.661 -0.436 8.523 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.471 0.524 6.938 1.00 0.00 O ATOM 0 H GLU A 41 5.570 0.471 3.796 1.00 0.00 H new ATOM 0 HA GLU A 41 2.997 1.001 4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.025 -0.892 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.000 -0.016 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.539 -1.166 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.436 -1.976 6.664 1.00 0.00 H new ATOM 645 N ARG A 42 5.380 2.939 5.778 1.00 0.00 N ATOM 646 CA ARG A 42 5.625 4.191 6.487 1.00 0.00 C ATOM 647 C ARG A 42 4.809 5.299 5.844 1.00 0.00 C ATOM 648 O ARG A 42 4.540 6.329 6.453 1.00 0.00 O ATOM 649 CB ARG A 42 7.108 4.524 6.474 1.00 0.00 C ATOM 650 CG ARG A 42 7.972 3.525 7.223 1.00 0.00 C ATOM 651 CD ARG A 42 9.435 3.726 6.890 1.00 0.00 C ATOM 652 NE ARG A 42 10.320 2.807 7.634 1.00 0.00 N ATOM 653 CZ ARG A 42 11.366 2.132 7.110 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.672 2.252 5.810 1.00 0.00 N ATOM 655 NH2 ARG A 42 12.099 1.341 7.886 1.00 0.00 N ATOM 0 H ARG A 42 6.121 2.655 5.137 1.00 0.00 H new ATOM 0 HA ARG A 42 5.318 4.088 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.448 4.580 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.252 5.512 6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.820 3.638 8.296 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.671 2.510 6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.583 3.580 5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.716 4.755 7.113 1.00 0.00 H new ATOM 0 HE ARG A 42 10.125 2.671 8.626 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.113 2.857 5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.464 1.738 5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.871 1.244 8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.889 0.830 7.492 1.00 0.00 H new ATOM 669 N LEU A 43 4.424 5.076 4.618 1.00 0.00 N ATOM 670 CA LEU A 43 3.576 6.003 3.893 1.00 0.00 C ATOM 671 C LEU A 43 2.116 5.755 4.280 1.00 0.00 C ATOM 672 O LEU A 43 1.374 6.686 4.564 1.00 0.00 O ATOM 673 CB LEU A 43 3.739 5.811 2.385 1.00 0.00 C ATOM 674 CG LEU A 43 5.158 5.811 1.844 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.144 5.477 0.372 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.832 7.153 2.075 1.00 0.00 C ATOM 0 H LEU A 43 4.686 4.246 4.085 1.00 0.00 H new ATOM 0 HA LEU A 43 3.865 7.022 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.271 4.866 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.183 6.601 1.880 1.00 0.00 H new ATOM 0 HG LEU A 43 5.731 5.053 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.164 5.478 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.703 4.491 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.554 6.220 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.847 7.124 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.267 7.936 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.867 7.363 3.144 1.00 0.00 H new ATOM 688 N THR A 44 1.725 4.484 4.297 1.00 0.00 N ATOM 689 CA THR A 44 0.381 4.085 4.647 1.00 0.00 C ATOM 690 C THR A 44 0.103 4.305 6.113 1.00 0.00 C ATOM 691 O THR A 44 -1.015 4.712 6.489 1.00 0.00 O ATOM 692 CB THR A 44 0.149 2.614 4.284 1.00 0.00 C ATOM 693 OG1 THR A 44 1.267 1.853 4.705 1.00 0.00 O ATOM 694 CG2 THR A 44 0.002 2.461 2.803 1.00 0.00 C ATOM 0 H THR A 44 2.341 3.704 4.066 1.00 0.00 H new ATOM 0 HA THR A 44 -0.308 4.708 4.076 1.00 0.00 H new ATOM 0 HB THR A 44 -0.760 2.268 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.058 1.406 5.552 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.162 1.411 2.560 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.848 3.050 2.459 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.909 2.810 2.309 1.00 0.00 H new ATOM 702 N GLU A 45 1.124 4.028 6.941 1.00 0.00 N ATOM 703 CA GLU A 45 1.071 4.199 8.391 1.00 0.00 C ATOM 704 C GLU A 45 -0.026 3.305 8.953 1.00 0.00 C ATOM 705 O GLU A 45 -0.639 3.609 9.976 1.00 0.00 O ATOM 706 CB GLU A 45 0.790 5.661 8.721 1.00 0.00 C ATOM 707 CG GLU A 45 1.823 6.634 8.208 1.00 0.00 C ATOM 708 CD GLU A 45 1.389 8.056 8.400 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.678 8.605 7.519 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.733 8.655 9.434 1.00 0.00 O ATOM 0 H GLU A 45 2.021 3.673 6.610 1.00 0.00 H new ATOM 0 HA GLU A 45 2.025 3.919 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.181 5.932 8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.717 5.767 9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.768 6.469 8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.004 6.448 7.149 1.00 0.00 H new ATOM 717 N HIS A 46 -0.213 2.169 8.315 1.00 0.00 N ATOM 718 CA HIS A 46 -1.310 1.328 8.607 1.00 0.00 C ATOM 719 C HIS A 46 -0.860 0.103 9.441 1.00 0.00 C ATOM 720 O HIS A 46 -0.020 -0.637 9.033 1.00 0.00 O ATOM 721 CB HIS A 46 -2.030 0.897 7.278 1.00 0.00 C ATOM 722 CG HIS A 46 -3.284 0.080 7.495 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.557 -0.531 8.661 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.329 -0.214 6.685 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.662 -1.162 8.583 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.216 -1.025 7.398 1.00 0.00 N ATOM 0 H HIS A 46 0.403 1.819 7.581 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.028 1.882 9.212 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.285 1.791 6.709 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.333 0.320 6.670 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.455 0.120 5.666 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.090 -1.738 9.390 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.097 -1.422 7.072 1.00 0.00 H new ATOM 734 N PRO A 47 -1.491 -0.121 10.614 1.00 0.00 N ATOM 735 CA PRO A 47 -1.243 -1.264 11.501 1.00 0.00 C ATOM 736 C PRO A 47 -1.016 -2.612 10.789 1.00 0.00 C ATOM 737 O PRO A 47 -0.108 -3.368 11.120 1.00 0.00 O ATOM 738 CB PRO A 47 -2.557 -1.382 12.242 1.00 0.00 C ATOM 739 CG PRO A 47 -3.239 -0.080 12.150 1.00 0.00 C ATOM 740 CD PRO A 47 -2.450 0.780 11.230 1.00 0.00 C ATOM 0 HA PRO A 47 -0.340 -1.088 12.086 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.173 -2.168 11.806 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.386 -1.652 13.284 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.256 -0.206 11.778 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.315 0.382 13.134 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.089 1.250 10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.948 1.583 11.771 1.00 0.00 H new ATOM 748 N ASP A 48 -1.824 -2.863 9.783 1.00 0.00 N ATOM 749 CA ASP A 48 -1.862 -4.126 9.102 1.00 0.00 C ATOM 750 C ASP A 48 -1.294 -3.954 7.751 1.00 0.00 C ATOM 751 O ASP A 48 -1.397 -4.824 6.954 1.00 0.00 O ATOM 752 CB ASP A 48 -3.305 -4.621 8.934 1.00 0.00 C ATOM 753 CG ASP A 48 -4.032 -4.886 10.212 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.911 -5.993 10.765 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.781 -4.013 10.661 1.00 0.00 O ATOM 0 H ASP A 48 -2.483 -2.178 9.413 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.296 -4.847 9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.864 -3.880 8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.293 -5.537 8.343 1.00 0.00 H new ATOM 760 N GLY A 49 -0.710 -2.805 7.508 1.00 0.00 N ATOM 761 CA GLY A 49 -0.123 -2.470 6.181 1.00 0.00 C ATOM 762 C GLY A 49 0.702 -3.549 5.575 1.00 0.00 C ATOM 763 O GLY A 49 0.522 -3.884 4.410 1.00 0.00 O ATOM 0 H GLY A 49 -0.616 -2.064 8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.932 -2.221 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.493 -1.577 6.287 1.00 0.00 H new ATOM 767 N SER A 50 1.567 -4.121 6.340 1.00 0.00 N ATOM 768 CA SER A 50 2.350 -5.223 5.822 1.00 0.00 C ATOM 769 C SER A 50 1.470 -6.486 5.711 1.00 0.00 C ATOM 770 O SER A 50 1.496 -7.191 4.697 1.00 0.00 O ATOM 771 CB SER A 50 3.572 -5.471 6.688 1.00 0.00 C ATOM 772 OG SER A 50 4.304 -4.265 6.870 1.00 0.00 O ATOM 0 H SER A 50 1.758 -3.862 7.308 1.00 0.00 H new ATOM 0 HA SER A 50 2.707 -4.966 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.265 -5.867 7.656 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.209 -6.224 6.223 1.00 0.00 H new ATOM 0 HG SER A 50 5.088 -4.440 7.432 1.00 0.00 H new ATOM 778 N ASP A 51 0.629 -6.705 6.718 1.00 0.00 N ATOM 779 CA ASP A 51 -0.267 -7.874 6.778 1.00 0.00 C ATOM 780 C ASP A 51 -1.289 -7.877 5.655 1.00 0.00 C ATOM 781 O ASP A 51 -1.758 -8.910 5.281 1.00 0.00 O ATOM 782 CB ASP A 51 -1.004 -7.992 8.122 1.00 0.00 C ATOM 783 CG ASP A 51 -0.091 -8.241 9.284 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.515 -9.320 9.359 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.040 -7.357 10.152 1.00 0.00 O ATOM 0 H ASP A 51 0.543 -6.081 7.520 1.00 0.00 H new ATOM 0 HA ASP A 51 0.390 -8.736 6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.566 -7.075 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.729 -8.803 8.060 1.00 0.00 H new ATOM 790 N LEU A 52 -1.631 -6.709 5.138 1.00 0.00 N ATOM 791 CA LEU A 52 -2.575 -6.569 4.012 1.00 0.00 C ATOM 792 C LEU A 52 -2.030 -7.279 2.807 1.00 0.00 C ATOM 793 O LEU A 52 -2.756 -7.905 2.057 1.00 0.00 O ATOM 794 CB LEU A 52 -2.748 -5.084 3.632 1.00 0.00 C ATOM 795 CG LEU A 52 -3.245 -4.131 4.707 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.342 -2.744 4.143 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.581 -4.570 5.278 1.00 0.00 C ATOM 0 H LEU A 52 -1.267 -5.820 5.480 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.531 -6.993 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.786 -4.715 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.440 -5.032 2.792 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.528 -4.141 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.698 -2.062 4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.359 -2.421 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.039 -2.740 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.900 -3.862 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.324 -4.603 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.480 -5.561 5.721 1.00 0.00 H new ATOM 809 N ILE A 53 -0.739 -7.203 2.667 1.00 0.00 N ATOM 810 CA ILE A 53 -0.053 -7.733 1.502 1.00 0.00 C ATOM 811 C ILE A 53 0.228 -9.216 1.698 1.00 0.00 C ATOM 812 O ILE A 53 0.327 -10.002 0.739 1.00 0.00 O ATOM 813 CB ILE A 53 1.289 -6.999 1.335 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.065 -5.490 1.426 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.923 -7.358 -0.005 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.329 -4.710 1.641 1.00 0.00 C ATOM 0 H ILE A 53 -0.121 -6.772 3.354 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.679 -7.591 0.621 1.00 0.00 H new ATOM 0 HB ILE A 53 1.966 -7.308 2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.586 -5.146 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.375 -5.282 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.872 -6.832 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.097 -8.433 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.254 -7.066 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.096 -3.647 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.798 -5.027 2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.013 -4.889 0.811 1.00 0.00 H new ATOM 828 N TYR A 54 0.354 -9.586 2.930 1.00 0.00 N ATOM 829 CA TYR A 54 0.709 -10.925 3.279 1.00 0.00 C ATOM 830 C TYR A 54 -0.499 -11.817 3.543 1.00 0.00 C ATOM 831 O TYR A 54 -0.490 -12.997 3.216 1.00 0.00 O ATOM 832 CB TYR A 54 1.659 -10.922 4.470 1.00 0.00 C ATOM 833 CG TYR A 54 2.987 -10.235 4.211 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.671 -10.421 3.014 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.544 -9.384 5.153 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.867 -9.784 2.770 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.739 -8.741 4.915 1.00 0.00 C ATOM 838 CZ TYR A 54 5.396 -8.946 3.721 1.00 0.00 C ATOM 839 OH TYR A 54 6.577 -8.308 3.477 1.00 0.00 O ATOM 0 H TYR A 54 0.213 -8.966 3.728 1.00 0.00 H new ATOM 0 HA TYR A 54 1.216 -11.355 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.168 -10.431 5.310 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.849 -11.952 4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.256 -11.077 2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.032 -9.222 6.090 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.386 -9.942 1.836 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.158 -8.080 5.659 1.00 0.00 H new ATOM 0 HH TYR A 54 7.043 -8.147 4.324 1.00 0.00 H new ATOM 849 N TYR A 55 -1.521 -11.263 4.123 1.00 0.00 N ATOM 850 CA TYR A 55 -2.669 -12.012 4.522 1.00 0.00 C ATOM 851 C TYR A 55 -3.936 -11.308 4.064 1.00 0.00 C ATOM 852 O TYR A 55 -4.050 -10.074 4.148 1.00 0.00 O ATOM 853 CB TYR A 55 -2.710 -12.162 6.062 1.00 0.00 C ATOM 854 CG TYR A 55 -1.493 -12.835 6.668 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.402 -14.215 6.733 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.434 -12.085 7.168 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.294 -14.832 7.277 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.680 -12.696 7.711 1.00 0.00 C ATOM 859 CZ TYR A 55 0.745 -14.070 7.763 1.00 0.00 C ATOM 860 OH TYR A 55 1.855 -14.689 8.305 1.00 0.00 O ATOM 0 H TYR A 55 -1.579 -10.267 4.334 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.607 -12.999 4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.820 -11.173 6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.597 -12.734 6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.212 -14.819 6.351 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.483 -11.007 7.131 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.242 -15.910 7.321 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.495 -12.099 8.092 1.00 0.00 H new ATOM 0 HH TYR A 55 2.497 -14.010 8.601 1.00 0.00 H new ATOM 870 N PRO A 56 -4.863 -12.048 3.508 1.00 0.00 N ATOM 871 CA PRO A 56 -6.182 -11.533 3.197 1.00 0.00 C ATOM 872 C PRO A 56 -7.003 -11.417 4.485 1.00 0.00 C ATOM 873 O PRO A 56 -6.759 -12.154 5.456 1.00 0.00 O ATOM 874 CB PRO A 56 -6.776 -12.602 2.279 1.00 0.00 C ATOM 875 CG PRO A 56 -6.083 -13.859 2.675 1.00 0.00 C ATOM 876 CD PRO A 56 -4.699 -13.448 3.093 1.00 0.00 C ATOM 0 HA PRO A 56 -6.167 -10.545 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.855 -12.685 2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.601 -12.366 1.229 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.608 -14.354 3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.048 -14.565 1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.327 -14.067 3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.988 -13.542 2.272 1.00 0.00 H new ATOM 884 N ARG A 57 -7.932 -10.491 4.531 1.00 0.00 N ATOM 885 CA ARG A 57 -8.777 -10.389 5.696 1.00 0.00 C ATOM 886 C ARG A 57 -10.066 -11.200 5.539 1.00 0.00 C ATOM 887 O ARG A 57 -10.017 -12.429 5.383 1.00 0.00 O ATOM 888 CB ARG A 57 -9.087 -8.939 6.053 1.00 0.00 C ATOM 889 CG ARG A 57 -7.962 -8.174 6.726 1.00 0.00 C ATOM 890 CD ARG A 57 -8.425 -6.768 7.045 1.00 0.00 C ATOM 891 NE ARG A 57 -7.472 -5.991 7.852 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.460 -4.648 7.877 1.00 0.00 C ATOM 893 NH1 ARG A 57 -7.995 -3.965 6.869 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.834 -3.997 8.842 1.00 0.00 N ATOM 0 H ARG A 57 -8.119 -9.812 3.793 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.214 -10.818 6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.367 -8.411 5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.957 -8.923 6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.658 -8.684 7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.089 -8.141 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.611 -6.238 6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.375 -6.822 7.576 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.789 -6.495 8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.412 -4.461 6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.988 -2.945 6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.353 -4.515 9.578 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.831 -2.977 8.851 1.00 0.00 H new ATOM 908 N ASP A 58 -11.194 -10.529 5.540 1.00 0.00 N ATOM 909 CA ASP A 58 -12.483 -11.202 5.447 1.00 0.00 C ATOM 910 C ASP A 58 -13.288 -10.721 4.257 1.00 0.00 C ATOM 911 O ASP A 58 -13.548 -11.462 3.319 1.00 0.00 O ATOM 912 CB ASP A 58 -13.279 -11.029 6.749 1.00 0.00 C ATOM 913 CG ASP A 58 -14.572 -11.827 6.787 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.541 -13.007 7.209 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.645 -11.276 6.467 1.00 0.00 O ATOM 0 H ASP A 58 -11.252 -9.513 5.604 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.287 -12.264 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.653 -11.329 7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.511 -9.973 6.885 1.00 0.00 H new ATOM 920 N ASP A 59 -13.614 -9.444 4.287 1.00 0.00 N ATOM 921 CA ASP A 59 -14.524 -8.820 3.310 1.00 0.00 C ATOM 922 C ASP A 59 -13.761 -8.330 2.117 1.00 0.00 C ATOM 923 O ASP A 59 -14.323 -8.130 1.033 1.00 0.00 O ATOM 924 CB ASP A 59 -15.194 -7.575 3.915 1.00 0.00 C ATOM 925 CG ASP A 59 -15.893 -7.799 5.219 1.00 0.00 C ATOM 926 OD1 ASP A 59 -15.248 -7.652 6.281 1.00 0.00 O ATOM 927 OD2 ASP A 59 -17.112 -8.056 5.224 1.00 0.00 O ATOM 0 H ASP A 59 -13.260 -8.795 4.989 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.258 -9.577 3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.435 -6.805 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.915 -7.185 3.197 1.00 0.00 H new ATOM 932 N ARG A 60 -12.501 -8.092 2.333 1.00 0.00 N ATOM 933 CA ARG A 60 -11.643 -7.498 1.379 1.00 0.00 C ATOM 934 C ARG A 60 -11.446 -8.362 0.146 1.00 0.00 C ATOM 935 O ARG A 60 -11.397 -9.603 0.219 1.00 0.00 O ATOM 936 CB ARG A 60 -10.291 -7.247 2.025 1.00 0.00 C ATOM 937 CG ARG A 60 -9.325 -6.559 1.121 1.00 0.00 C ATOM 938 CD ARG A 60 -7.932 -7.136 1.221 1.00 0.00 C ATOM 939 NE ARG A 60 -7.345 -6.985 2.545 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.290 -7.661 3.003 1.00 0.00 C ATOM 941 NH1 ARG A 60 -5.677 -8.590 2.258 1.00 0.00 N ATOM 942 NH2 ARG A 60 -5.853 -7.409 4.214 1.00 0.00 N ATOM 0 H ARG A 60 -12.037 -8.318 3.213 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.109 -6.568 1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.431 -6.644 2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.866 -8.199 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.675 -6.638 0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.294 -5.497 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.964 -8.195 0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.290 -6.649 0.488 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.776 -6.307 3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.015 -8.794 1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.872 -9.093 2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.319 -6.706 4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.048 -7.916 4.581 1.00 0.00 H new ATOM 956 N GLU A 61 -11.323 -7.701 -0.961 1.00 0.00 N ATOM 957 CA GLU A 61 -10.930 -8.319 -2.182 1.00 0.00 C ATOM 958 C GLU A 61 -9.443 -8.523 -2.073 1.00 0.00 C ATOM 959 O GLU A 61 -8.697 -7.550 -1.881 1.00 0.00 O ATOM 960 CB GLU A 61 -11.197 -7.383 -3.340 1.00 0.00 C ATOM 961 CG GLU A 61 -10.677 -7.896 -4.671 1.00 0.00 C ATOM 962 CD GLU A 61 -11.374 -9.133 -5.153 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.406 -9.011 -5.815 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.875 -10.247 -4.912 1.00 0.00 O ATOM 0 H GLU A 61 -11.497 -6.699 -1.040 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.473 -9.249 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.271 -7.215 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.738 -6.417 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.787 -7.112 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.611 -8.103 -4.579 1.00 0.00 H new ATOM 971 N ASP A 62 -8.989 -9.718 -2.189 1.00 0.00 N ATOM 972 CA ASP A 62 -7.577 -9.934 -2.002 1.00 0.00 C ATOM 973 C ASP A 62 -6.880 -9.838 -3.313 1.00 0.00 C ATOM 974 O ASP A 62 -6.689 -10.818 -4.034 1.00 0.00 O ATOM 975 CB ASP A 62 -7.224 -11.206 -1.254 1.00 0.00 C ATOM 976 CG ASP A 62 -5.762 -11.194 -0.855 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.389 -10.368 0.020 1.00 0.00 O ATOM 978 OD2 ASP A 62 -4.965 -12.013 -1.386 1.00 0.00 O ATOM 0 H ASP A 62 -9.543 -10.546 -2.405 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.222 -9.141 -1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.849 -11.299 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.430 -12.074 -1.881 1.00 0.00 H new ATOM 983 N SER A 63 -6.629 -8.631 -3.658 1.00 0.00 N ATOM 984 CA SER A 63 -6.018 -8.252 -4.867 1.00 0.00 C ATOM 985 C SER A 63 -5.233 -7.012 -4.574 1.00 0.00 C ATOM 986 O SER A 63 -5.516 -6.352 -3.556 1.00 0.00 O ATOM 987 CB SER A 63 -7.135 -7.932 -5.891 1.00 0.00 C ATOM 988 OG SER A 63 -6.638 -7.315 -7.062 1.00 0.00 O ATOM 0 H SER A 63 -6.861 -7.835 -3.064 1.00 0.00 H new ATOM 0 HA SER A 63 -5.374 -9.034 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.650 -8.854 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.873 -7.279 -5.426 1.00 0.00 H new ATOM 0 HG SER A 63 -7.380 -7.135 -7.677 1.00 0.00 H new ATOM 994 N PRO A 64 -4.222 -6.682 -5.402 1.00 0.00 N ATOM 995 CA PRO A 64 -3.545 -5.390 -5.361 1.00 0.00 C ATOM 996 C PRO A 64 -4.579 -4.238 -5.234 1.00 0.00 C ATOM 997 O PRO A 64 -4.365 -3.274 -4.506 1.00 0.00 O ATOM 998 CB PRO A 64 -2.841 -5.362 -6.738 1.00 0.00 C ATOM 999 CG PRO A 64 -2.454 -6.776 -6.946 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.596 -7.587 -6.405 1.00 0.00 C ATOM 0 HA PRO A 64 -2.865 -5.263 -4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.507 -5.007 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.973 -4.703 -6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.289 -6.987 -8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.525 -7.010 -6.425 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.299 -7.863 -7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.249 -8.514 -5.948 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.741 -4.417 -5.873 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.798 -3.408 -5.857 1.00 0.00 C ATOM 1010 C GLU A 65 -7.534 -3.362 -4.501 1.00 0.00 C ATOM 1011 O GLU A 65 -8.044 -2.321 -4.096 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.797 -3.658 -6.986 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.169 -3.714 -8.370 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.195 -3.882 -9.455 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.608 -5.025 -9.735 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.610 -2.868 -10.053 1.00 0.00 O ATOM 0 H GLU A 65 -5.970 -5.255 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.320 -2.440 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.316 -4.598 -6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.550 -2.870 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.603 -2.800 -8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.460 -4.541 -8.412 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.568 -4.479 -3.806 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.275 -4.532 -2.537 1.00 0.00 C ATOM 1025 C GLY A 66 -7.386 -4.181 -1.373 1.00 0.00 C ATOM 1026 O GLY A 66 -7.853 -3.745 -0.333 1.00 0.00 O ATOM 0 H GLY A 66 -7.123 -5.352 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.121 -3.845 -2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.682 -5.533 -2.392 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.104 -4.375 -1.546 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.127 -4.000 -0.537 1.00 0.00 C ATOM 1032 C ILE A 67 -5.064 -2.472 -0.435 1.00 0.00 C ATOM 1033 O ILE A 67 -5.105 -1.907 0.647 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.752 -4.626 -0.873 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.877 -6.159 -0.768 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.650 -4.090 0.043 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.674 -6.930 -1.244 1.00 0.00 C ATOM 0 H ILE A 67 -5.702 -4.795 -2.384 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.424 -4.386 0.438 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.466 -4.351 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.070 -6.422 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.745 -6.478 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.699 -4.552 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.573 -3.009 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.891 -4.326 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.858 -7.998 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.489 -6.703 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.803 -6.647 -0.653 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.010 -1.828 -1.585 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.118 -0.375 -1.699 1.00 0.00 C ATOM 1051 C VAL A 68 -6.459 0.096 -1.152 1.00 0.00 C ATOM 1052 O VAL A 68 -6.565 1.172 -0.557 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.973 0.069 -3.174 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.233 1.563 -3.359 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.598 -0.253 -3.645 1.00 0.00 C ATOM 0 H VAL A 68 -4.888 -2.300 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.314 0.074 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.720 -0.468 -3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.119 1.825 -4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.246 1.799 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.519 2.133 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.487 0.057 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.870 0.275 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.429 -1.327 -3.567 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.472 -0.730 -1.326 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.790 -0.420 -0.852 1.00 0.00 C ATOM 1067 C LYS A 69 -8.799 -0.275 0.645 1.00 0.00 C ATOM 1068 O LYS A 69 -9.445 0.620 1.176 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.763 -1.481 -1.202 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.124 -0.942 -1.106 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.405 -0.112 -2.315 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.895 1.266 -1.930 1.00 0.00 C ATOM 1073 NZ LYS A 69 -13.217 1.221 -1.245 1.00 0.00 N ATOM 0 H LYS A 69 -7.397 -1.630 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.077 0.516 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.574 -1.845 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.648 -2.332 -0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.846 -1.755 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.228 -0.340 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.501 -0.024 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.153 -0.607 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.164 1.740 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.971 1.886 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.467 2.173 -0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.942 0.888 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.166 0.571 -0.435 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.083 -1.161 1.308 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.942 -1.143 2.752 1.00 0.00 C ATOM 1089 C GLU A 70 -7.362 0.174 3.170 1.00 0.00 C ATOM 1090 O GLU A 70 -7.854 0.808 4.081 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.999 -2.254 3.192 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.452 -3.636 2.810 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.583 -4.128 3.649 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.662 -3.526 3.644 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.395 -5.133 4.357 1.00 0.00 O ATOM 0 H GLU A 70 -7.577 -1.922 0.855 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.920 -1.290 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.016 -2.073 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.883 -2.209 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.755 -3.637 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.613 -4.326 2.899 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.342 0.594 2.441 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.651 1.839 2.710 1.00 0.00 C ATOM 1104 C ILE A 71 -6.638 2.986 2.593 1.00 0.00 C ATOM 1105 O ILE A 71 -6.684 3.861 3.444 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.498 2.095 1.705 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.660 0.833 1.463 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.613 3.230 2.190 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -3.048 0.214 2.683 1.00 0.00 C ATOM 0 H ILE A 71 -5.970 0.078 1.644 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.229 1.771 3.713 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.951 2.377 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.291 0.088 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.861 1.079 0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.809 3.396 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.207 4.139 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.187 2.971 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.479 -0.670 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.384 0.934 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.836 -0.072 3.380 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.445 2.943 1.541 1.00 0.00 N ATOM 1122 CA LYS A 72 -8.434 3.925 1.292 1.00 0.00 C ATOM 1123 C LYS A 72 -9.452 3.967 2.376 1.00 0.00 C ATOM 1124 O LYS A 72 -9.596 4.979 3.030 1.00 0.00 O ATOM 1125 CB LYS A 72 -9.122 3.648 -0.022 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.264 3.856 -1.192 1.00 0.00 C ATOM 1127 CD LYS A 72 -8.989 3.615 -2.513 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.153 4.573 -2.722 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.735 5.979 -2.738 1.00 0.00 N ATOM 0 H LYS A 72 -7.412 2.204 0.839 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.931 4.891 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.481 2.619 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.998 4.291 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.878 4.875 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.404 3.189 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.283 3.722 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.357 2.589 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.649 4.335 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.886 4.425 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.547 6.580 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.379 6.246 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.982 6.109 -3.443 1.00 0.00 H new ATOM 1143 N GLU A 73 -10.116 2.857 2.609 1.00 0.00 N ATOM 1144 CA GLU A 73 -11.195 2.828 3.569 1.00 0.00 C ATOM 1145 C GLU A 73 -10.733 3.159 4.973 1.00 0.00 C ATOM 1146 O GLU A 73 -11.454 3.818 5.728 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.945 1.509 3.507 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.496 1.241 2.125 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.435 0.080 2.041 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.130 -0.214 3.032 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.563 -0.497 0.946 1.00 0.00 O ATOM 0 H GLU A 73 -9.929 1.966 2.149 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.894 3.617 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.277 0.697 3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.762 1.521 4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.013 2.135 1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.663 1.067 1.444 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.552 2.735 5.308 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.988 2.992 6.598 1.00 0.00 C ATOM 1160 C TRP A 74 -8.520 4.468 6.717 1.00 0.00 C ATOM 1161 O TRP A 74 -9.041 5.225 7.544 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.856 2.003 6.840 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.267 2.026 8.194 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.770 1.457 9.310 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.042 2.610 8.557 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.923 1.660 10.361 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.851 2.374 9.916 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.094 3.314 7.851 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.739 2.821 10.584 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.982 3.770 8.492 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.804 3.520 9.860 1.00 0.00 C ATOM 0 H TRP A 74 -8.948 2.196 4.688 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.744 2.851 7.371 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.227 0.998 6.642 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.065 2.199 6.116 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.705 0.920 9.363 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.068 1.333 11.316 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.230 3.504 6.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.604 2.631 11.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.235 4.326 7.945 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.915 3.884 10.354 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.619 4.907 5.826 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.043 6.259 5.915 1.00 0.00 C ATOM 1184 C ARG A 75 -8.065 7.340 5.670 1.00 0.00 C ATOM 1185 O ARG A 75 -8.011 8.406 6.301 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.810 6.433 5.016 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.624 5.629 5.509 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.350 5.875 4.737 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.057 7.295 4.552 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.070 7.975 5.171 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.279 7.382 6.060 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.888 9.241 4.883 1.00 0.00 N ATOM 0 H ARG A 75 -7.275 4.352 5.042 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.704 6.371 6.945 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.057 6.126 4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.539 7.488 4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.451 5.863 6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.870 4.568 5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.518 5.404 5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.425 5.395 3.761 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.647 7.814 3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.413 6.396 6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.538 7.913 6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.489 9.700 4.198 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.145 9.767 5.344 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.029 7.065 4.818 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.068 8.028 4.540 1.00 0.00 C ATOM 1208 C ALA A 76 -11.044 8.125 5.724 1.00 0.00 C ATOM 1209 O ALA A 76 -11.719 9.130 5.896 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.792 7.693 3.232 1.00 0.00 C ATOM 0 H ALA A 76 -9.113 6.185 4.308 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.607 9.007 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.570 8.434 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.078 7.702 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.244 6.704 3.309 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.082 7.083 6.564 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.977 7.060 7.716 1.00 0.00 C ATOM 1218 C ALA A 77 -11.322 7.776 8.854 1.00 0.00 C ATOM 1219 O ALA A 77 -11.966 8.449 9.646 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.334 5.639 8.121 1.00 0.00 C ATOM 0 H ALA A 77 -10.503 6.249 6.464 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.906 7.561 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.002 5.663 8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.831 5.138 7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.426 5.096 8.381 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.014 7.603 8.927 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.204 8.214 9.939 1.00 0.00 C ATOM 1228 C ASN A 78 -9.168 9.720 9.754 1.00 0.00 C ATOM 1229 O ASN A 78 -9.101 10.484 10.724 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.763 7.717 9.857 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.520 6.233 10.036 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.560 5.722 9.490 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.319 5.547 10.814 1.00 0.00 N ATOM 0 H ASN A 78 -9.488 7.025 8.272 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.643 7.952 10.901 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.362 8.008 8.886 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.182 8.246 10.613 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.145 4.555 10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.116 6.004 11.257 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.215 10.137 8.511 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.083 11.532 8.194 1.00 0.00 C ATOM 1242 C GLY A 79 -7.649 11.839 7.859 1.00 0.00 C ATOM 1243 O GLY A 79 -7.165 12.947 8.067 1.00 0.00 O ATOM 0 H GLY A 79 -9.344 9.526 7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.726 11.787 7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.408 12.140 9.038 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.972 10.839 7.343 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.595 10.936 6.976 1.00 0.00 C ATOM 1249 C LYS A 80 -5.444 11.470 5.570 1.00 0.00 C ATOM 1250 O LYS A 80 -6.441 11.717 4.862 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.944 9.572 7.070 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.576 9.126 8.470 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.990 7.739 8.417 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.392 7.302 9.738 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.376 7.210 10.830 1.00 0.00 N ATOM 0 H LYS A 80 -7.380 9.921 7.167 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.107 11.628 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.620 8.834 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.042 9.575 6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.858 9.819 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.458 9.135 9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.767 7.033 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.220 7.704 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.915 6.331 9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.610 8.005 10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.882 7.040 11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.910 8.100 10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.032 6.425 10.641 1.00 0.00 H new ATOM 1269 N SER A 81 -4.221 11.658 5.176 1.00 0.00 N ATOM 1270 CA SER A 81 -3.867 12.117 3.883 1.00 0.00 C ATOM 1271 C SER A 81 -4.139 11.018 2.860 1.00 0.00 C ATOM 1272 O SER A 81 -4.045 9.820 3.186 1.00 0.00 O ATOM 1273 CB SER A 81 -2.406 12.453 3.943 1.00 0.00 C ATOM 1274 OG SER A 81 -2.155 13.255 5.088 1.00 0.00 O ATOM 0 H SER A 81 -3.415 11.486 5.777 1.00 0.00 H new ATOM 0 HA SER A 81 -4.447 12.989 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.813 11.540 3.987 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.106 12.984 3.040 1.00 0.00 H new ATOM 0 HG SER A 81 -1.201 13.475 5.131 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.457 11.410 1.658 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.813 10.462 0.650 1.00 0.00 C ATOM 1282 C GLY A 82 -3.792 10.405 -0.430 1.00 0.00 C ATOM 1283 O GLY A 82 -2.631 10.710 -0.196 1.00 0.00 O ATOM 0 H GLY A 82 -4.476 12.384 1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.924 9.475 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.780 10.728 0.224 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.217 10.046 -1.603 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.344 9.924 -2.722 1.00 0.00 C ATOM 1289 C PHE A 83 -3.312 11.248 -3.476 1.00 0.00 C ATOM 1290 O PHE A 83 -4.030 12.199 -3.113 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.864 8.802 -3.640 1.00 0.00 C ATOM 1292 CG PHE A 83 -4.134 7.507 -2.915 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -3.110 6.847 -2.264 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.415 6.950 -2.877 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -3.348 5.671 -1.590 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.643 5.774 -2.208 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.614 5.134 -1.562 1.00 0.00 C ATOM 0 H PHE A 83 -5.192 9.828 -1.809 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.335 9.679 -2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.782 9.136 -4.124 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.134 8.622 -4.429 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.112 7.258 -2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.232 7.449 -3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.538 5.168 -1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.636 5.350 -2.189 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.798 4.211 -1.033 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.481 11.330 -4.476 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.440 12.482 -5.341 1.00 0.00 C ATOM 1309 C LYS A 84 -3.691 12.485 -6.189 1.00 0.00 C ATOM 1310 O LYS A 84 -4.041 11.478 -6.788 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.186 12.459 -6.231 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.148 13.545 -7.309 1.00 0.00 C ATOM 1313 CD LYS A 84 0.078 13.399 -8.198 1.00 0.00 C ATOM 1314 CE LYS A 84 1.350 13.891 -7.537 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.383 15.361 -7.385 1.00 0.00 N ATOM 0 H LYS A 84 -1.810 10.600 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.394 13.389 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.305 12.564 -5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.117 11.484 -6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.050 13.488 -7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.143 14.528 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.199 12.351 -8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.082 13.953 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.448 13.426 -6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.208 13.572 -8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.339 15.660 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.132 15.809 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.701 15.650 -6.655 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.342 13.614 -6.220 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.598 13.851 -6.942 1.00 0.00 C ATOM 1331 C GLN A 85 -5.429 13.860 -8.493 1.00 0.00 C ATOM 1332 O GLN A 85 -5.941 14.746 -9.189 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.260 15.177 -6.441 1.00 0.00 C ATOM 1334 CG GLN A 85 -5.425 16.471 -6.621 1.00 0.00 C ATOM 1335 CD GLN A 85 -4.140 16.504 -5.800 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -4.069 15.939 -4.704 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -3.113 17.086 -6.340 1.00 0.00 N ATOM 0 H GLN A 85 -4.011 14.443 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.255 13.010 -6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.208 15.305 -6.964 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.493 15.064 -5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.172 16.584 -7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.040 17.328 -6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.205 17.544 -7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.214 17.085 -5.858 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.740 12.874 -9.011 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.558 12.739 -10.433 1.00 0.00 C ATOM 1348 C GLY A 86 -5.732 12.019 -11.054 1.00 0.00 C ATOM 1349 O GLY A 86 -6.679 12.676 -11.535 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.771 10.778 -10.998 1.00 0.00 O ATOM 0 H GLY A 86 -4.290 12.144 -8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.448 13.724 -10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.639 12.190 -10.637 1.00 0.00 H new TER 1354 GLY A 86