USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1141 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 69 ASN : amide:sc= -2.89 K(o=-12,f=-19!) USER MOD Set 1.2: A 74 HIS : no HD1:sc= -4.41! C(o=-12!,f=-19!) USER MOD Set 1.3: A 97 GLN : amide:sc= -4.56! C(o=-12!,f=-13!) USER MOD Set 2.1: A 6 SER OG : rot 78:sc= 0.0239 USER MOD Set 2.2: A 124 THR OG1 : rot 7:sc= -1.92! USER MOD Set 2.3: A 125 THR OG1 : rot 170:sc= -0.233 USER MOD Set 2.4: A 126 ASN :FLIP amide:sc= -1.31! C(o=-12!,f=-3.4!) USER MOD Set 3.1: A 5 LYS NZ :NH3+ 171:sc= 0.021 (180deg=0) USER MOD Set 3.2: A 13 GLN :FLIP amide:sc= 0.0218 F(o=-1.1,f=0.043) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0671 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS :FLIP no HD1:sc= 0.0734 F(o=-3!,f=0.073) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 149:sc= -0.199 (180deg=-1.22!) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= -0.855 (180deg=-1.54) USER MOD Single : A 18 SER OG : rot -170:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= -0.234 (180deg=-0.282) USER MOD Single : A 34 THR OG1 : rot -64:sc= 0.622 USER MOD Single : A 35 GLN :FLIP amide:sc= -3.48 F(o=-5.5!,f=-3.5) USER MOD Single : A 40 THR OG1 : rot 80:sc= 0.244 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 134:sc= -0.594 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.15) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.139 F(o=-1.8!,f=-0.14) USER MOD Single : A 73 TYR OH : rot 99:sc= -1.13 USER MOD Single : A 76 THR OG1 : rot 180:sc= -3.56! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 91 ASN : amide:sc= -1.93! C(o=-1.9!,f=-3.3!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -58:sc= 0.00343 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.00231 USER MOD Single : A 100 LYS NZ :NH3+ -146:sc= 0.745 (180deg=-0.00632) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN :FLIP amide:sc= 0 F(o=-4.2!,f=0) USER MOD Single : A 109 THR OG1 : rot 71:sc= 0.698 USER MOD Single : A 113 ASN :FLIP amide:sc= -2.04 F(o=-2.8!,f=-2) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 150:sc= -0.33 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -120:sc= -0.236 USER MOD Single : A 123 MET CE :methyl -155:sc= -1.09 (180deg=-1.61!) USER MOD Single : A 130 HIS : no HE2:sc= -12.9! C(o=-13!,f=-14!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 130:sc= 0.189 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.383 15.031 2.284 1.00 0.00 N ATOM 2 CA GLY A 1 -21.798 14.479 3.500 1.00 0.00 C ATOM 3 C GLY A 1 -20.583 13.616 3.176 1.00 0.00 C ATOM 4 O GLY A 1 -19.985 13.745 2.107 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.690 16.009 2.460 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.674 15.022 1.523 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.202 14.456 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.506 15.289 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.542 13.883 4.028 1.00 0.00 H new ATOM 8 N ALA A 2 -20.223 12.736 4.105 1.00 0.00 N ATOM 9 CA ALA A 2 -19.078 11.857 3.906 1.00 0.00 C ATOM 10 C ALA A 2 -17.886 12.643 3.370 1.00 0.00 C ATOM 11 O ALA A 2 -17.238 12.229 2.408 1.00 0.00 O ATOM 12 CB ALA A 2 -19.439 10.741 2.923 1.00 0.00 C ATOM 0 H ALA A 2 -20.704 12.614 4.996 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.809 11.420 4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.577 10.089 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.271 10.161 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.726 11.178 1.966 1.00 0.00 H new ATOM 18 N MET A 3 -17.601 13.778 3.997 1.00 0.00 N ATOM 19 CA MET A 3 -16.484 14.612 3.574 1.00 0.00 C ATOM 20 C MET A 3 -15.174 14.063 4.125 1.00 0.00 C ATOM 21 O MET A 3 -14.147 14.743 4.100 1.00 0.00 O ATOM 22 CB MET A 3 -16.685 16.046 4.067 1.00 0.00 C ATOM 23 CG MET A 3 -17.308 16.888 2.952 1.00 0.00 C ATOM 24 SD MET A 3 -18.056 18.375 3.662 1.00 0.00 S ATOM 25 CE MET A 3 -18.691 19.068 2.115 1.00 0.00 C ATOM 0 H MET A 3 -18.124 14.140 4.795 1.00 0.00 H new ATOM 0 HA MET A 3 -16.441 14.607 2.485 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.330 16.052 4.945 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.730 16.475 4.370 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.547 17.164 2.222 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.062 16.307 2.421 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.202 20.009 2.320 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.863 19.247 1.429 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.392 18.366 1.663 1.00 0.00 H new ATOM 35 N GLU A 4 -15.214 12.833 4.627 1.00 0.00 N ATOM 36 CA GLU A 4 -14.018 12.214 5.187 1.00 0.00 C ATOM 37 C GLU A 4 -13.354 11.295 4.174 1.00 0.00 C ATOM 38 O GLU A 4 -12.213 10.873 4.360 1.00 0.00 O ATOM 39 CB GLU A 4 -14.373 11.415 6.441 1.00 0.00 C ATOM 40 CG GLU A 4 -15.112 12.316 7.432 1.00 0.00 C ATOM 41 CD GLU A 4 -14.180 13.413 7.931 1.00 0.00 C ATOM 42 OE1 GLU A 4 -13.421 13.146 8.849 1.00 0.00 O ATOM 43 OE2 GLU A 4 -14.235 14.504 7.389 1.00 0.00 O ATOM 0 H GLU A 4 -16.051 12.251 4.658 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.321 13.010 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.996 10.561 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.467 11.018 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.985 12.759 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.475 11.725 8.273 1.00 0.00 H new ATOM 50 N LYS A 5 -14.081 10.999 3.110 1.00 0.00 N ATOM 51 CA LYS A 5 -13.578 10.125 2.053 1.00 0.00 C ATOM 52 C LYS A 5 -13.160 8.768 2.623 1.00 0.00 C ATOM 53 O LYS A 5 -12.408 8.693 3.592 1.00 0.00 O ATOM 54 CB LYS A 5 -12.382 10.780 1.355 1.00 0.00 C ATOM 55 CG LYS A 5 -12.868 11.950 0.496 1.00 0.00 C ATOM 56 CD LYS A 5 -13.023 11.493 -0.957 1.00 0.00 C ATOM 57 CE LYS A 5 -13.508 12.663 -1.815 1.00 0.00 C ATOM 58 NZ LYS A 5 -12.719 12.708 -3.078 1.00 0.00 N ATOM 0 H LYS A 5 -15.025 11.350 2.951 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.379 9.968 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.664 11.133 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.865 10.049 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.821 12.321 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.159 12.776 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.071 11.122 -1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.733 10.668 -1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.569 12.549 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.396 13.600 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.143 13.401 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.740 12.986 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.723 11.768 -3.524 1.00 0.00 H new ATOM 72 N SER A 6 -13.651 7.694 2.009 1.00 0.00 N ATOM 73 CA SER A 6 -13.314 6.347 2.463 1.00 0.00 C ATOM 74 C SER A 6 -12.284 5.716 1.533 1.00 0.00 C ATOM 75 O SER A 6 -12.004 6.241 0.454 1.00 0.00 O ATOM 76 CB SER A 6 -14.567 5.474 2.500 1.00 0.00 C ATOM 77 OG SER A 6 -15.698 6.289 2.770 1.00 0.00 O ATOM 0 H SER A 6 -14.277 7.728 1.204 1.00 0.00 H new ATOM 0 HA SER A 6 -12.894 6.418 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.694 4.959 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.467 4.706 3.267 1.00 0.00 H new ATOM 0 HG SER A 6 -15.966 6.759 1.952 1.00 0.00 H new ATOM 83 N LEU A 7 -11.711 4.595 1.955 1.00 0.00 N ATOM 84 CA LEU A 7 -10.710 3.921 1.142 1.00 0.00 C ATOM 85 C LEU A 7 -11.229 3.664 -0.270 1.00 0.00 C ATOM 86 O LEU A 7 -10.701 4.207 -1.244 1.00 0.00 O ATOM 87 CB LEU A 7 -10.341 2.585 1.788 1.00 0.00 C ATOM 88 CG LEU A 7 -8.833 2.510 2.010 1.00 0.00 C ATOM 89 CD1 LEU A 7 -8.507 1.223 2.763 1.00 0.00 C ATOM 90 CD2 LEU A 7 -8.118 2.497 0.657 1.00 0.00 C ATOM 0 H LEU A 7 -11.920 4.140 2.844 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.833 4.566 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.863 2.475 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.664 1.762 1.150 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.502 3.374 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.431 1.160 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.021 1.224 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.836 0.365 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.041 2.443 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.444 1.630 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.359 3.408 0.109 1.00 0.00 H new ATOM 102 N HIS A 8 -12.265 2.838 -0.376 1.00 0.00 N ATOM 103 CA HIS A 8 -12.837 2.517 -1.679 1.00 0.00 C ATOM 104 C HIS A 8 -13.221 3.792 -2.421 1.00 0.00 C ATOM 105 O HIS A 8 -13.028 3.899 -3.632 1.00 0.00 O ATOM 106 CB HIS A 8 -14.071 1.635 -1.508 1.00 0.00 C ATOM 107 CG HIS A 8 -14.797 2.020 -0.247 1.00 0.00 C ATOM 108 ND1 HIS A 8 -14.595 1.682 1.068 1.00 0.00 N flip ATOM 109 CD2 HIS A 8 -15.894 2.870 -0.254 1.00 0.00 C flip ATOM 110 CE1 HIS A 8 -15.547 2.309 1.866 1.00 0.00 C flip ATOM 111 NE2 HIS A 8 -16.305 3.010 1.019 1.00 0.00 N flip ATOM 0 H HIS A 8 -12.721 2.383 0.415 1.00 0.00 H new ATOM 0 HA HIS A 8 -12.088 1.980 -2.261 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.731 1.746 -2.368 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.777 0.586 -1.465 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -16.337 3.334 -1.123 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.651 2.243 2.939 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -17.100 3.583 1.303 1.00 0.00 H new ATOM 120 N GLU A 9 -13.760 4.758 -1.686 1.00 0.00 N ATOM 121 CA GLU A 9 -14.164 6.024 -2.284 1.00 0.00 C ATOM 122 C GLU A 9 -12.999 6.641 -3.049 1.00 0.00 C ATOM 123 O GLU A 9 -13.152 7.086 -4.186 1.00 0.00 O ATOM 124 CB GLU A 9 -14.629 6.992 -1.195 1.00 0.00 C ATOM 125 CG GLU A 9 -16.006 7.553 -1.559 1.00 0.00 C ATOM 126 CD GLU A 9 -16.448 8.566 -0.509 1.00 0.00 C ATOM 127 OE1 GLU A 9 -17.059 8.154 0.463 1.00 0.00 O ATOM 128 OE2 GLU A 9 -16.171 9.739 -0.695 1.00 0.00 O ATOM 0 H GLU A 9 -13.926 4.690 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.986 5.836 -2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.677 6.479 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.911 7.805 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.968 8.026 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.733 6.743 -1.624 1.00 0.00 H new ATOM 135 N LYS A 10 -11.832 6.665 -2.417 1.00 0.00 N ATOM 136 CA LYS A 10 -10.650 7.233 -3.050 1.00 0.00 C ATOM 137 C LYS A 10 -10.273 6.439 -4.296 1.00 0.00 C ATOM 138 O LYS A 10 -10.167 6.999 -5.387 1.00 0.00 O ATOM 139 CB LYS A 10 -9.474 7.229 -2.071 1.00 0.00 C ATOM 140 CG LYS A 10 -8.403 8.210 -2.555 1.00 0.00 C ATOM 141 CD LYS A 10 -8.520 9.519 -1.772 1.00 0.00 C ATOM 142 CE LYS A 10 -7.511 10.533 -2.314 1.00 0.00 C ATOM 143 NZ LYS A 10 -8.234 11.604 -3.059 1.00 0.00 N ATOM 0 H LYS A 10 -11.680 6.302 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.879 8.259 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.816 7.510 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.055 6.226 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.411 7.779 -2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.524 8.400 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.531 9.916 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.336 9.339 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.940 10.968 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.797 10.036 -2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.549 12.294 -3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.760 11.182 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.898 12.084 -2.419 1.00 0.00 H new ATOM 157 N LEU A 11 -10.063 5.136 -4.129 1.00 0.00 N ATOM 158 CA LEU A 11 -9.687 4.288 -5.261 1.00 0.00 C ATOM 159 C LEU A 11 -10.717 4.385 -6.380 1.00 0.00 C ATOM 160 O LEU A 11 -10.384 4.240 -7.556 1.00 0.00 O ATOM 161 CB LEU A 11 -9.558 2.831 -4.810 1.00 0.00 C ATOM 162 CG LEU A 11 -8.725 2.764 -3.530 1.00 0.00 C ATOM 163 CD1 LEU A 11 -8.494 1.304 -3.141 1.00 0.00 C ATOM 164 CD2 LEU A 11 -7.376 3.451 -3.757 1.00 0.00 C ATOM 0 H LEU A 11 -10.145 4.649 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.726 4.638 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.546 2.404 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.088 2.237 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.260 3.272 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.900 1.260 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.454 0.816 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.963 0.793 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.784 3.402 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.842 2.947 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.540 4.494 -4.027 1.00 0.00 H new ATOM 176 N LYS A 12 -11.967 4.629 -6.007 1.00 0.00 N ATOM 177 CA LYS A 12 -13.040 4.738 -6.988 1.00 0.00 C ATOM 178 C LYS A 12 -13.056 6.128 -7.618 1.00 0.00 C ATOM 179 O LYS A 12 -13.510 6.303 -8.749 1.00 0.00 O ATOM 180 CB LYS A 12 -14.384 4.469 -6.313 1.00 0.00 C ATOM 181 CG LYS A 12 -14.615 2.956 -6.223 1.00 0.00 C ATOM 182 CD LYS A 12 -15.777 2.649 -5.270 1.00 0.00 C ATOM 183 CE LYS A 12 -17.108 2.873 -5.991 1.00 0.00 C ATOM 184 NZ LYS A 12 -17.199 1.954 -7.159 1.00 0.00 N ATOM 0 H LYS A 12 -12.262 4.755 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.868 4.001 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.398 4.910 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.188 4.938 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.833 2.555 -7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.708 2.463 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.711 1.619 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.717 3.289 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.939 2.694 -5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.185 3.909 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.194 1.703 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.814 2.425 -8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.652 1.091 -6.965 1.00 0.00 H new ATOM 198 N GLN A 13 -12.568 7.115 -6.873 1.00 0.00 N ATOM 199 CA GLN A 13 -12.541 8.488 -7.363 1.00 0.00 C ATOM 200 C GLN A 13 -11.183 8.826 -7.972 1.00 0.00 C ATOM 201 O GLN A 13 -11.040 9.837 -8.659 1.00 0.00 O ATOM 202 CB GLN A 13 -12.842 9.454 -6.214 1.00 0.00 C ATOM 203 CG GLN A 13 -14.355 9.653 -6.089 1.00 0.00 C ATOM 204 CD GLN A 13 -14.665 10.593 -4.929 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.412 10.213 -3.708 1.00 0.00 O flip ATOM 206 NE2 GLN A 13 -15.150 11.705 -5.143 1.00 0.00 N flip ATOM 0 H GLN A 13 -12.188 6.991 -5.934 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.301 8.589 -8.138 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.439 9.061 -5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.353 10.412 -6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.754 10.064 -7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.844 8.692 -5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.347 12.000 -6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.355 12.331 -4.364 1.00 0.00 H new ATOM 215 N ASP A 14 -10.193 7.977 -7.715 1.00 0.00 N ATOM 216 CA ASP A 14 -8.851 8.197 -8.242 1.00 0.00 C ATOM 217 C ASP A 14 -8.548 7.216 -9.368 1.00 0.00 C ATOM 218 O ASP A 14 -8.284 6.040 -9.122 1.00 0.00 O ATOM 219 CB ASP A 14 -7.819 8.027 -7.130 1.00 0.00 C ATOM 220 CG ASP A 14 -7.704 9.315 -6.323 1.00 0.00 C ATOM 221 OD1 ASP A 14 -8.684 10.038 -6.256 1.00 0.00 O ATOM 222 OD2 ASP A 14 -6.637 9.561 -5.784 1.00 0.00 O ATOM 0 H ASP A 14 -10.294 7.135 -7.148 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.800 9.212 -8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.109 7.204 -6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.850 7.769 -7.558 1.00 0.00 H new ATOM 227 N LYS A 15 -8.583 7.707 -10.601 1.00 0.00 N ATOM 228 CA LYS A 15 -8.309 6.863 -11.757 1.00 0.00 C ATOM 229 C LYS A 15 -6.876 6.341 -11.710 1.00 0.00 C ATOM 230 O LYS A 15 -6.534 5.370 -12.383 1.00 0.00 O ATOM 231 CB LYS A 15 -8.522 7.657 -13.047 1.00 0.00 C ATOM 232 CG LYS A 15 -9.752 7.117 -13.782 1.00 0.00 C ATOM 233 CD LYS A 15 -9.966 7.905 -15.078 1.00 0.00 C ATOM 234 CE LYS A 15 -10.986 9.023 -14.846 1.00 0.00 C ATOM 235 NZ LYS A 15 -10.466 9.968 -13.820 1.00 0.00 N ATOM 0 H LYS A 15 -8.797 8.679 -10.825 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.995 6.016 -11.735 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.657 8.714 -12.818 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.641 7.579 -13.684 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.618 6.059 -14.006 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.633 7.199 -13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.020 8.328 -15.417 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.317 7.238 -15.865 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.178 9.553 -15.779 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.936 8.600 -14.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.989 10.865 -13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.590 9.555 -12.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.456 10.145 -13.991 1.00 0.00 H new ATOM 249 N ARG A 16 -6.042 6.993 -10.908 1.00 0.00 N ATOM 250 CA ARG A 16 -4.647 6.586 -10.780 1.00 0.00 C ATOM 251 C ARG A 16 -4.554 5.165 -10.235 1.00 0.00 C ATOM 252 O ARG A 16 -3.589 4.450 -10.505 1.00 0.00 O ATOM 253 CB ARG A 16 -3.912 7.543 -9.841 1.00 0.00 C ATOM 254 CG ARG A 16 -4.161 8.982 -10.292 1.00 0.00 C ATOM 255 CD ARG A 16 -3.457 9.948 -9.337 1.00 0.00 C ATOM 256 NE ARG A 16 -3.032 11.148 -10.052 1.00 0.00 N ATOM 257 CZ ARG A 16 -2.094 11.948 -9.553 1.00 0.00 C ATOM 258 NH1 ARG A 16 -1.541 11.669 -8.405 1.00 0.00 N ATOM 259 NH2 ARG A 16 -1.726 13.013 -10.212 1.00 0.00 N ATOM 0 H ARG A 16 -6.304 7.799 -10.341 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.184 6.616 -11.766 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.260 7.405 -8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.844 7.327 -9.847 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.791 9.125 -11.307 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.231 9.188 -10.310 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.129 10.220 -8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.593 9.460 -8.887 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.461 11.376 -10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.828 10.837 -7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.822 12.283 -8.023 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.158 13.232 -11.110 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.007 13.626 -9.829 1.00 0.00 H new ATOM 273 N PHE A 17 -5.565 4.769 -9.464 1.00 0.00 N ATOM 274 CA PHE A 17 -5.594 3.433 -8.877 1.00 0.00 C ATOM 275 C PHE A 17 -6.674 2.573 -9.522 1.00 0.00 C ATOM 276 O PHE A 17 -7.215 1.662 -8.893 1.00 0.00 O ATOM 277 CB PHE A 17 -5.844 3.526 -7.367 1.00 0.00 C ATOM 278 CG PHE A 17 -4.906 4.539 -6.741 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.521 4.452 -6.954 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.424 5.565 -5.940 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.662 5.389 -6.369 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.561 6.503 -5.355 1.00 0.00 C ATOM 283 CZ PHE A 17 -3.181 6.415 -5.571 1.00 0.00 C ATOM 0 H PHE A 17 -6.370 5.351 -9.233 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.626 2.965 -9.058 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.879 3.814 -7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.696 2.549 -6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.118 3.661 -7.570 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.489 5.634 -5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.597 5.320 -6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.961 7.294 -4.738 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.517 7.139 -5.122 1.00 0.00 H new ATOM 293 N SER A 18 -6.970 2.849 -10.785 1.00 0.00 N ATOM 294 CA SER A 18 -7.969 2.081 -11.507 1.00 0.00 C ATOM 295 C SER A 18 -7.539 0.618 -11.587 1.00 0.00 C ATOM 296 O SER A 18 -8.350 -0.303 -11.415 1.00 0.00 O ATOM 297 CB SER A 18 -8.114 2.650 -12.914 1.00 0.00 C ATOM 298 OG SER A 18 -9.185 3.584 -12.941 1.00 0.00 O ATOM 0 H SER A 18 -6.534 3.595 -11.326 1.00 0.00 H new ATOM 0 HA SER A 18 -8.924 2.142 -10.985 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.187 3.135 -13.219 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.301 1.846 -13.625 1.00 0.00 H new ATOM 0 HG SER A 18 -9.381 3.830 -13.869 1.00 0.00 H new ATOM 304 N THR A 19 -6.251 0.406 -11.837 1.00 0.00 N ATOM 305 CA THR A 19 -5.728 -0.946 -11.927 1.00 0.00 C ATOM 306 C THR A 19 -6.050 -1.714 -10.652 1.00 0.00 C ATOM 307 O THR A 19 -6.474 -2.870 -10.699 1.00 0.00 O ATOM 308 CB THR A 19 -4.216 -0.916 -12.141 1.00 0.00 C ATOM 309 OG1 THR A 19 -3.912 -0.104 -13.265 1.00 0.00 O ATOM 310 CG2 THR A 19 -3.717 -2.339 -12.386 1.00 0.00 C ATOM 0 H THR A 19 -5.561 1.144 -11.979 1.00 0.00 H new ATOM 0 HA THR A 19 -6.196 -1.445 -12.776 1.00 0.00 H new ATOM 0 HB THR A 19 -3.728 -0.504 -11.258 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.942 -0.084 -13.401 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.638 -2.325 -12.540 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.952 -2.961 -11.522 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.204 -2.748 -13.271 1.00 0.00 H new ATOM 318 N PHE A 20 -5.853 -1.060 -9.517 1.00 0.00 N ATOM 319 CA PHE A 20 -6.138 -1.680 -8.236 1.00 0.00 C ATOM 320 C PHE A 20 -7.577 -2.151 -8.199 1.00 0.00 C ATOM 321 O PHE A 20 -7.853 -3.304 -7.888 1.00 0.00 O ATOM 322 CB PHE A 20 -5.883 -0.683 -7.104 1.00 0.00 C ATOM 323 CG PHE A 20 -4.597 -1.041 -6.394 1.00 0.00 C ATOM 324 CD1 PHE A 20 -4.540 -1.028 -4.994 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.464 -1.388 -7.137 1.00 0.00 C ATOM 326 CE1 PHE A 20 -3.351 -1.369 -4.339 1.00 0.00 C ATOM 327 CE2 PHE A 20 -2.273 -1.726 -6.483 1.00 0.00 C ATOM 328 CZ PHE A 20 -2.218 -1.717 -5.083 1.00 0.00 C ATOM 0 H PHE A 20 -5.499 -0.105 -9.459 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.481 -2.540 -8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.820 0.329 -7.504 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.715 -0.696 -6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.413 -0.755 -4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.508 -1.395 -8.216 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.308 -1.364 -3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.398 -1.993 -7.057 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.300 -1.979 -4.578 1.00 0.00 H new ATOM 338 N LEU A 21 -8.489 -1.263 -8.523 1.00 0.00 N ATOM 339 CA LEU A 21 -9.895 -1.614 -8.515 1.00 0.00 C ATOM 340 C LEU A 21 -10.124 -2.879 -9.332 1.00 0.00 C ATOM 341 O LEU A 21 -10.964 -3.705 -8.988 1.00 0.00 O ATOM 342 CB LEU A 21 -10.730 -0.466 -9.101 1.00 0.00 C ATOM 343 CG LEU A 21 -11.782 0.003 -8.084 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.712 -1.150 -7.711 1.00 0.00 C ATOM 345 CD2 LEU A 21 -11.090 0.493 -6.817 1.00 0.00 C ATOM 0 H LEU A 21 -8.288 -0.300 -8.793 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.203 -1.792 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.079 0.366 -9.370 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.221 -0.795 -10.017 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.360 0.809 -8.535 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.452 -0.802 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.219 -1.512 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.130 -1.960 -7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.839 0.825 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.506 -0.319 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.429 1.324 -7.062 1.00 0.00 H new ATOM 357 N SER A 22 -9.383 -3.018 -10.423 1.00 0.00 N ATOM 358 CA SER A 22 -9.560 -4.178 -11.284 1.00 0.00 C ATOM 359 C SER A 22 -9.081 -5.471 -10.631 1.00 0.00 C ATOM 360 O SER A 22 -9.838 -6.436 -10.513 1.00 0.00 O ATOM 361 CB SER A 22 -8.812 -3.963 -12.600 1.00 0.00 C ATOM 362 OG SER A 22 -9.262 -4.907 -13.560 1.00 0.00 O ATOM 0 H SER A 22 -8.668 -2.357 -10.728 1.00 0.00 H new ATOM 0 HA SER A 22 -10.629 -4.282 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.980 -2.950 -12.965 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.739 -4.072 -12.443 1.00 0.00 H new ATOM 0 HG SER A 22 -8.784 -4.768 -14.404 1.00 0.00 H new ATOM 368 N LEU A 23 -7.813 -5.492 -10.243 1.00 0.00 N ATOM 369 CA LEU A 23 -7.214 -6.684 -9.638 1.00 0.00 C ATOM 370 C LEU A 23 -7.708 -6.925 -8.221 1.00 0.00 C ATOM 371 O LEU A 23 -7.895 -8.073 -7.807 1.00 0.00 O ATOM 372 CB LEU A 23 -5.680 -6.547 -9.623 1.00 0.00 C ATOM 373 CG LEU A 23 -5.277 -5.184 -9.016 1.00 0.00 C ATOM 374 CD1 LEU A 23 -4.811 -5.406 -7.577 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.129 -4.526 -9.804 1.00 0.00 C ATOM 0 H LEU A 23 -7.176 -4.700 -10.334 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.515 -7.538 -10.245 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.240 -7.358 -9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.289 -6.633 -10.637 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.144 -4.525 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.523 -4.451 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.622 -5.844 -6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.955 -6.081 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.875 -3.570 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.256 -5.179 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.442 -4.363 -10.835 1.00 0.00 H new ATOM 387 N LEU A 24 -7.911 -5.852 -7.471 1.00 0.00 N ATOM 388 CA LEU A 24 -8.362 -5.998 -6.096 1.00 0.00 C ATOM 389 C LEU A 24 -9.791 -6.497 -6.065 1.00 0.00 C ATOM 390 O LEU A 24 -10.153 -7.318 -5.223 1.00 0.00 O ATOM 391 CB LEU A 24 -8.205 -4.674 -5.343 1.00 0.00 C ATOM 392 CG LEU A 24 -9.492 -3.850 -5.402 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.514 -4.340 -4.378 1.00 0.00 C ATOM 394 CD2 LEU A 24 -9.163 -2.409 -5.063 1.00 0.00 C ATOM 0 H LEU A 24 -7.774 -4.890 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.742 -6.739 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.944 -4.872 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.383 -4.102 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.910 -3.947 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.417 -3.733 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.761 -5.382 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.094 -4.255 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.072 -1.809 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.737 -2.359 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.442 -2.021 -5.783 1.00 0.00 H new ATOM 406 N GLU A 25 -10.600 -6.020 -6.999 1.00 0.00 N ATOM 407 CA GLU A 25 -11.981 -6.451 -7.069 1.00 0.00 C ATOM 408 C GLU A 25 -12.064 -7.903 -7.539 1.00 0.00 C ATOM 409 O GLU A 25 -12.950 -8.651 -7.124 1.00 0.00 O ATOM 410 CB GLU A 25 -12.732 -5.541 -8.031 1.00 0.00 C ATOM 411 CG GLU A 25 -14.191 -5.958 -8.090 1.00 0.00 C ATOM 412 CD GLU A 25 -14.507 -6.557 -9.457 1.00 0.00 C ATOM 413 OE1 GLU A 25 -14.737 -7.751 -9.519 1.00 0.00 O ATOM 414 OE2 GLU A 25 -14.512 -5.806 -10.419 1.00 0.00 O ATOM 0 H GLU A 25 -10.325 -5.342 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.432 -6.390 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.652 -4.504 -7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.286 -5.597 -9.024 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.402 -6.686 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.832 -5.096 -7.904 1.00 0.00 H new ATOM 421 N ALA A 26 -11.130 -8.307 -8.391 1.00 0.00 N ATOM 422 CA ALA A 26 -11.111 -9.677 -8.882 1.00 0.00 C ATOM 423 C ALA A 26 -10.892 -10.648 -7.724 1.00 0.00 C ATOM 424 O ALA A 26 -11.529 -11.702 -7.659 1.00 0.00 O ATOM 425 CB ALA A 26 -9.996 -9.848 -9.916 1.00 0.00 C ATOM 0 H ALA A 26 -10.384 -7.712 -8.752 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.071 -9.893 -9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.990 -10.876 -10.278 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.168 -9.170 -10.752 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.035 -9.619 -9.456 1.00 0.00 H new ATOM 431 N ALA A 27 -9.998 -10.284 -6.806 1.00 0.00 N ATOM 432 CA ALA A 27 -9.719 -11.134 -5.648 1.00 0.00 C ATOM 433 C ALA A 27 -10.855 -11.042 -4.630 1.00 0.00 C ATOM 434 O ALA A 27 -10.906 -11.815 -3.674 1.00 0.00 O ATOM 435 CB ALA A 27 -8.411 -10.707 -4.985 1.00 0.00 C ATOM 0 H ALA A 27 -9.460 -9.418 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.632 -12.164 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.214 -11.346 -4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.594 -10.799 -5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.491 -9.671 -4.656 1.00 0.00 H new ATOM 441 N ASP A 28 -11.761 -10.086 -4.841 1.00 0.00 N ATOM 442 CA ASP A 28 -12.891 -9.884 -3.944 1.00 0.00 C ATOM 443 C ASP A 28 -12.444 -9.187 -2.658 1.00 0.00 C ATOM 444 O ASP A 28 -12.826 -9.598 -1.562 1.00 0.00 O ATOM 445 CB ASP A 28 -13.550 -11.229 -3.608 1.00 0.00 C ATOM 446 CG ASP A 28 -13.482 -12.161 -4.817 1.00 0.00 C ATOM 447 OD1 ASP A 28 -13.008 -13.272 -4.655 1.00 0.00 O ATOM 448 OD2 ASP A 28 -13.898 -11.743 -5.884 1.00 0.00 O ATOM 0 H ASP A 28 -11.730 -9.439 -5.629 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.618 -9.248 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.047 -11.687 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.589 -11.072 -3.318 1.00 0.00 H new ATOM 453 N LEU A 29 -11.635 -8.129 -2.791 1.00 0.00 N ATOM 454 CA LEU A 29 -11.161 -7.391 -1.617 1.00 0.00 C ATOM 455 C LEU A 29 -11.897 -6.063 -1.501 1.00 0.00 C ATOM 456 O LEU A 29 -11.785 -5.358 -0.504 1.00 0.00 O ATOM 457 CB LEU A 29 -9.647 -7.135 -1.688 1.00 0.00 C ATOM 458 CG LEU A 29 -8.867 -8.381 -1.216 1.00 0.00 C ATOM 459 CD1 LEU A 29 -8.892 -8.504 0.310 1.00 0.00 C ATOM 460 CD2 LEU A 29 -9.482 -9.652 -1.807 1.00 0.00 C ATOM 0 H LEU A 29 -11.300 -7.770 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.364 -8.001 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.362 -6.885 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.387 -6.278 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.838 -8.265 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.335 -9.391 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.435 -7.619 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.924 -8.590 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.920 -10.521 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.519 -9.739 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.445 -9.602 -2.895 1.00 0.00 H new ATOM 472 N LYS A 30 -12.660 -5.736 -2.527 1.00 0.00 N ATOM 473 CA LYS A 30 -13.424 -4.506 -2.538 1.00 0.00 C ATOM 474 C LYS A 30 -14.197 -4.353 -1.234 1.00 0.00 C ATOM 475 O LYS A 30 -14.453 -3.239 -0.791 1.00 0.00 O ATOM 476 CB LYS A 30 -14.385 -4.486 -3.747 1.00 0.00 C ATOM 477 CG LYS A 30 -14.963 -5.889 -4.060 1.00 0.00 C ATOM 478 CD LYS A 30 -16.250 -6.116 -3.264 1.00 0.00 C ATOM 479 CE LYS A 30 -16.404 -7.604 -2.936 1.00 0.00 C ATOM 480 NZ LYS A 30 -16.366 -8.401 -4.196 1.00 0.00 N ATOM 0 H LYS A 30 -12.766 -6.308 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.736 -3.665 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.203 -3.794 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.856 -4.109 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.166 -5.978 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.231 -6.657 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.227 -5.532 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.109 -5.770 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.605 -7.924 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.345 -7.776 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.505 -9.408 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.122 -8.079 -4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.444 -8.273 -4.660 1.00 0.00 H new ATOM 494 N GLU A 31 -14.554 -5.477 -0.621 1.00 0.00 N ATOM 495 CA GLU A 31 -15.289 -5.454 0.640 1.00 0.00 C ATOM 496 C GLU A 31 -14.331 -5.301 1.822 1.00 0.00 C ATOM 497 O GLU A 31 -14.708 -4.830 2.901 1.00 0.00 O ATOM 498 CB GLU A 31 -16.095 -6.742 0.793 1.00 0.00 C ATOM 499 CG GLU A 31 -17.556 -6.461 0.448 1.00 0.00 C ATOM 500 CD GLU A 31 -18.382 -7.737 0.565 1.00 0.00 C ATOM 501 OE1 GLU A 31 -18.648 -8.343 -0.460 1.00 0.00 O ATOM 502 OE2 GLU A 31 -18.741 -8.086 1.677 1.00 0.00 O ATOM 0 H GLU A 31 -14.348 -6.411 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.966 -4.600 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.696 -7.516 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.015 -7.117 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.955 -5.699 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.628 -6.065 -0.565 1.00 0.00 H new ATOM 509 N LEU A 32 -13.090 -5.713 1.607 1.00 0.00 N ATOM 510 CA LEU A 32 -12.064 -5.645 2.632 1.00 0.00 C ATOM 511 C LEU A 32 -11.682 -4.198 2.930 1.00 0.00 C ATOM 512 O LEU A 32 -11.298 -3.859 4.047 1.00 0.00 O ATOM 513 CB LEU A 32 -10.839 -6.421 2.152 1.00 0.00 C ATOM 514 CG LEU A 32 -9.740 -6.315 3.211 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.051 -7.650 3.447 1.00 0.00 C ATOM 516 CD2 LEU A 32 -8.657 -5.334 2.766 1.00 0.00 C ATOM 0 H LEU A 32 -12.769 -6.102 0.720 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.450 -6.084 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.098 -7.466 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.487 -6.020 1.202 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.230 -5.979 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.278 -7.531 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.783 -8.382 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.598 -7.995 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.885 -5.273 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.214 -5.680 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.098 -4.349 2.616 1.00 0.00 H new ATOM 528 N LEU A 33 -11.798 -3.360 1.916 1.00 0.00 N ATOM 529 CA LEU A 33 -11.470 -1.940 2.047 1.00 0.00 C ATOM 530 C LEU A 33 -12.574 -1.199 2.778 1.00 0.00 C ATOM 531 O LEU A 33 -12.412 -0.041 3.164 1.00 0.00 O ATOM 532 CB LEU A 33 -11.298 -1.294 0.672 1.00 0.00 C ATOM 533 CG LEU A 33 -10.831 -2.323 -0.348 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.535 -1.635 -1.679 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.560 -2.995 0.160 1.00 0.00 C ATOM 0 H LEU A 33 -12.118 -3.633 0.987 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.539 -1.874 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.243 -0.856 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.575 -0.481 0.734 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.614 -3.068 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.201 -2.376 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.439 -1.149 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.753 -0.889 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.223 -3.733 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.783 -2.244 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.765 -3.490 1.110 1.00 0.00 H new ATOM 547 N THR A 34 -13.701 -1.867 2.947 1.00 0.00 N ATOM 548 CA THR A 34 -14.842 -1.262 3.612 1.00 0.00 C ATOM 549 C THR A 34 -14.949 -1.775 5.031 1.00 0.00 C ATOM 550 O THR A 34 -15.557 -1.136 5.889 1.00 0.00 O ATOM 551 CB THR A 34 -16.132 -1.595 2.859 1.00 0.00 C ATOM 552 OG1 THR A 34 -16.719 -2.755 3.428 1.00 0.00 O ATOM 553 CG2 THR A 34 -15.830 -1.849 1.384 1.00 0.00 C ATOM 0 H THR A 34 -13.851 -2.826 2.634 1.00 0.00 H new ATOM 0 HA THR A 34 -14.700 -0.181 3.625 1.00 0.00 H new ATOM 0 HB THR A 34 -16.821 -0.754 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.119 -3.520 3.304 1.00 0.00 H new ATOM 0 HG21 THR A 34 -16.755 -2.085 0.859 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.381 -0.958 0.946 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.138 -2.686 1.293 1.00 0.00 H new ATOM 561 N GLN A 35 -14.371 -2.944 5.269 1.00 0.00 N ATOM 562 CA GLN A 35 -14.425 -3.543 6.594 1.00 0.00 C ATOM 563 C GLN A 35 -14.168 -2.488 7.676 1.00 0.00 C ATOM 564 O GLN A 35 -13.571 -1.448 7.393 1.00 0.00 O ATOM 565 CB GLN A 35 -13.387 -4.660 6.708 1.00 0.00 C ATOM 566 CG GLN A 35 -14.081 -6.026 6.695 1.00 0.00 C ATOM 567 CD GLN A 35 -14.694 -6.306 5.325 1.00 0.00 C ATOM 568 OE1 GLN A 35 -15.741 -5.634 4.928 1.00 0.00 O flip ATOM 569 NE2 GLN A 35 -14.213 -7.176 4.600 1.00 0.00 N flip ATOM 0 H GLN A 35 -13.866 -3.490 4.572 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.421 -3.960 6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.679 -4.595 5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.815 -4.543 7.628 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.363 -6.807 6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.858 -6.052 7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.395 -7.702 4.908 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.632 -7.371 3.691 1.00 0.00 H new ATOM 578 N PRO A 36 -14.596 -2.730 8.905 1.00 0.00 N ATOM 579 CA PRO A 36 -14.387 -1.772 10.025 1.00 0.00 C ATOM 580 C PRO A 36 -13.074 -2.003 10.766 1.00 0.00 C ATOM 581 O PRO A 36 -12.871 -3.055 11.375 1.00 0.00 O ATOM 582 CB PRO A 36 -15.563 -2.072 10.943 1.00 0.00 C ATOM 583 CG PRO A 36 -15.818 -3.538 10.778 1.00 0.00 C ATOM 584 CD PRO A 36 -15.329 -3.927 9.371 1.00 0.00 C ATOM 0 HA PRO A 36 -14.333 -0.741 9.675 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.328 -1.826 11.979 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.439 -1.485 10.667 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.289 -4.109 11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.879 -3.760 10.892 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.683 -4.804 9.401 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.162 -4.167 8.711 1.00 0.00 H new ATOM 592 N GLY A 37 -12.191 -1.013 10.726 1.00 0.00 N ATOM 593 CA GLY A 37 -10.912 -1.118 11.412 1.00 0.00 C ATOM 594 C GLY A 37 -9.886 -0.192 10.778 1.00 0.00 C ATOM 595 O GLY A 37 -10.000 0.158 9.607 1.00 0.00 O ATOM 0 H GLY A 37 -12.337 -0.134 10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.036 -0.865 12.465 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.555 -2.147 11.371 1.00 0.00 H new ATOM 599 N ASP A 38 -8.892 0.205 11.560 1.00 0.00 N ATOM 600 CA ASP A 38 -7.849 1.101 11.068 1.00 0.00 C ATOM 601 C ASP A 38 -6.630 0.314 10.599 1.00 0.00 C ATOM 602 O ASP A 38 -5.968 -0.357 11.394 1.00 0.00 O ATOM 603 CB ASP A 38 -7.434 2.069 12.177 1.00 0.00 C ATOM 604 CG ASP A 38 -8.418 1.980 13.339 1.00 0.00 C ATOM 605 OD1 ASP A 38 -7.968 1.791 14.457 1.00 0.00 O ATOM 606 OD2 ASP A 38 -9.606 2.106 13.094 1.00 0.00 O ATOM 0 H ASP A 38 -8.784 -0.077 12.534 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.249 1.659 10.221 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.428 1.831 12.522 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.405 3.088 11.791 1.00 0.00 H new ATOM 611 N TRP A 39 -6.333 0.408 9.306 1.00 0.00 N ATOM 612 CA TRP A 39 -5.178 -0.294 8.750 1.00 0.00 C ATOM 613 C TRP A 39 -4.473 0.568 7.704 1.00 0.00 C ATOM 614 O TRP A 39 -5.030 1.558 7.224 1.00 0.00 O ATOM 615 CB TRP A 39 -5.616 -1.614 8.107 1.00 0.00 C ATOM 616 CG TRP A 39 -7.057 -1.869 8.392 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.545 -2.319 9.569 1.00 0.00 C ATOM 618 CD2 TRP A 39 -8.202 -1.707 7.508 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.915 -2.448 9.463 1.00 0.00 N ATOM 620 CE2 TRP A 39 -9.369 -2.078 8.213 1.00 0.00 C ATOM 621 CE3 TRP A 39 -8.339 -1.274 6.178 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -10.630 -2.025 7.620 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -9.606 -1.222 5.576 1.00 0.00 C ATOM 624 CH2 TRP A 39 -10.750 -1.594 6.296 1.00 0.00 C ATOM 0 H TRP A 39 -6.867 0.955 8.631 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.485 -0.500 9.566 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.452 -1.575 7.030 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.010 -2.434 8.493 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.959 -2.541 10.449 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.519 -2.777 10.217 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.465 -0.980 5.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -11.507 -2.315 8.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -9.700 -0.893 4.552 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -11.722 -1.548 5.828 1.00 0.00 H new ATOM 635 N THR A 40 -3.246 0.177 7.350 1.00 0.00 N ATOM 636 CA THR A 40 -2.472 0.911 6.349 1.00 0.00 C ATOM 637 C THR A 40 -2.224 0.044 5.124 1.00 0.00 C ATOM 638 O THR A 40 -2.000 -1.154 5.245 1.00 0.00 O ATOM 639 CB THR A 40 -1.130 1.373 6.923 1.00 0.00 C ATOM 640 OG1 THR A 40 -1.361 2.271 8.000 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.320 2.081 5.830 1.00 0.00 C ATOM 0 H THR A 40 -2.771 -0.638 7.739 1.00 0.00 H new ATOM 0 HA THR A 40 -3.053 1.787 6.060 1.00 0.00 H new ATOM 0 HB THR A 40 -0.572 0.509 7.283 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.582 1.763 8.808 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.635 2.409 6.240 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.143 1.392 5.004 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.876 2.946 5.468 1.00 0.00 H new ATOM 649 N LEU A 41 -2.264 0.666 3.948 1.00 0.00 N ATOM 650 CA LEU A 41 -2.041 -0.049 2.696 1.00 0.00 C ATOM 651 C LEU A 41 -1.008 0.679 1.840 1.00 0.00 C ATOM 652 O LEU A 41 -0.955 1.911 1.824 1.00 0.00 O ATOM 653 CB LEU A 41 -3.366 -0.174 1.936 1.00 0.00 C ATOM 654 CG LEU A 41 -3.636 1.108 1.127 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.023 1.016 -0.276 1.00 0.00 C ATOM 656 CD2 LEU A 41 -5.138 1.305 0.983 1.00 0.00 C ATOM 0 H LEU A 41 -2.449 1.663 3.837 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.658 -1.045 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.331 -1.034 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.181 -0.349 2.638 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.184 1.946 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.230 1.935 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.945 0.877 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.458 0.170 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.333 2.212 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.569 0.449 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.589 1.396 1.971 1.00 0.00 H new ATOM 668 N PHE A 42 -0.190 -0.094 1.129 1.00 0.00 N ATOM 669 CA PHE A 42 0.842 0.474 0.270 1.00 0.00 C ATOM 670 C PHE A 42 0.470 0.300 -1.196 1.00 0.00 C ATOM 671 O PHE A 42 0.658 -0.772 -1.767 1.00 0.00 O ATOM 672 CB PHE A 42 2.168 -0.220 0.550 1.00 0.00 C ATOM 673 CG PHE A 42 2.910 0.553 1.603 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.329 0.755 2.863 1.00 0.00 C ATOM 675 CD2 PHE A 42 4.176 1.073 1.324 1.00 0.00 C ATOM 676 CE1 PHE A 42 3.018 1.478 3.841 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.859 1.793 2.303 1.00 0.00 C ATOM 678 CZ PHE A 42 4.283 1.995 3.559 1.00 0.00 C ATOM 0 H PHE A 42 -0.223 -1.113 1.132 1.00 0.00 H new ATOM 0 HA PHE A 42 0.932 1.540 0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.995 -1.243 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.762 -0.280 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.350 0.352 3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.624 0.918 0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.573 1.636 4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.838 2.196 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.818 2.553 4.314 1.00 0.00 H new ATOM 688 N VAL A 43 -0.060 1.358 -1.799 1.00 0.00 N ATOM 689 CA VAL A 43 -0.468 1.295 -3.196 1.00 0.00 C ATOM 690 C VAL A 43 0.563 1.965 -4.116 1.00 0.00 C ATOM 691 O VAL A 43 0.783 3.173 -4.007 1.00 0.00 O ATOM 692 CB VAL A 43 -1.825 1.977 -3.380 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.786 3.414 -2.862 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.172 1.991 -4.863 1.00 0.00 C ATOM 0 H VAL A 43 -0.216 2.260 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.541 0.242 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.576 1.424 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.762 3.878 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.536 3.412 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.033 3.978 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.138 2.475 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.406 2.540 -5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.220 0.968 -5.235 1.00 0.00 H new ATOM 704 N PRO A 44 1.189 1.231 -5.025 1.00 0.00 N ATOM 705 CA PRO A 44 2.179 1.823 -5.961 1.00 0.00 C ATOM 706 C PRO A 44 1.497 2.501 -7.150 1.00 0.00 C ATOM 707 O PRO A 44 0.389 2.128 -7.532 1.00 0.00 O ATOM 708 CB PRO A 44 2.995 0.622 -6.420 1.00 0.00 C ATOM 709 CG PRO A 44 2.065 -0.542 -6.352 1.00 0.00 C ATOM 710 CD PRO A 44 1.035 -0.223 -5.263 1.00 0.00 C ATOM 0 HA PRO A 44 2.782 2.601 -5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.369 0.766 -7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.863 0.469 -5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.575 -0.702 -7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.608 -1.457 -6.115 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.024 -0.467 -5.589 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.225 -0.797 -4.356 1.00 0.00 H new ATOM 718 N THR A 45 2.159 3.499 -7.731 1.00 0.00 N ATOM 719 CA THR A 45 1.584 4.210 -8.872 1.00 0.00 C ATOM 720 C THR A 45 2.058 3.604 -10.191 1.00 0.00 C ATOM 721 O THR A 45 2.858 2.677 -10.208 1.00 0.00 O ATOM 722 CB THR A 45 1.977 5.685 -8.815 1.00 0.00 C ATOM 723 OG1 THR A 45 3.306 5.798 -8.327 1.00 0.00 O ATOM 724 CG2 THR A 45 1.027 6.431 -7.878 1.00 0.00 C ATOM 0 H THR A 45 3.078 3.830 -7.438 1.00 0.00 H new ATOM 0 HA THR A 45 0.499 4.117 -8.820 1.00 0.00 H new ATOM 0 HB THR A 45 1.915 6.117 -9.814 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.562 6.743 -8.291 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.308 7.483 -7.838 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.006 6.342 -8.249 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.089 6.000 -6.879 1.00 0.00 H new ATOM 732 N ASN A 46 1.556 4.132 -11.300 1.00 0.00 N ATOM 733 CA ASN A 46 1.944 3.625 -12.610 1.00 0.00 C ATOM 734 C ASN A 46 3.462 3.680 -12.780 1.00 0.00 C ATOM 735 O ASN A 46 4.070 2.751 -13.320 1.00 0.00 O ATOM 736 CB ASN A 46 1.278 4.457 -13.709 1.00 0.00 C ATOM 737 CG ASN A 46 1.600 3.866 -15.077 1.00 0.00 C ATOM 738 OD1 ASN A 46 1.335 2.689 -15.324 1.00 0.00 O ATOM 739 ND2 ASN A 46 2.160 4.616 -15.985 1.00 0.00 N ATOM 0 H ASN A 46 0.887 4.902 -11.320 1.00 0.00 H new ATOM 0 HA ASN A 46 1.618 2.588 -12.688 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.199 4.478 -13.557 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.627 5.488 -13.658 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.380 4.228 -16.902 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.378 5.591 -15.778 1.00 0.00 H new ATOM 746 N ASP A 47 4.060 4.779 -12.321 1.00 0.00 N ATOM 747 CA ASP A 47 5.505 4.961 -12.429 1.00 0.00 C ATOM 748 C ASP A 47 6.246 3.785 -11.803 1.00 0.00 C ATOM 749 O ASP A 47 7.422 3.555 -12.087 1.00 0.00 O ATOM 750 CB ASP A 47 5.922 6.257 -11.728 1.00 0.00 C ATOM 751 CG ASP A 47 5.285 7.456 -12.423 1.00 0.00 C ATOM 752 OD1 ASP A 47 4.526 7.242 -13.354 1.00 0.00 O ATOM 753 OD2 ASP A 47 5.565 8.570 -12.014 1.00 0.00 O ATOM 0 H ASP A 47 3.568 5.552 -11.873 1.00 0.00 H new ATOM 0 HA ASP A 47 5.764 5.017 -13.486 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.617 6.228 -10.682 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.008 6.354 -11.741 1.00 0.00 H new ATOM 758 N ALA A 48 5.547 3.046 -10.953 1.00 0.00 N ATOM 759 CA ALA A 48 6.133 1.892 -10.284 1.00 0.00 C ATOM 760 C ALA A 48 6.021 0.650 -11.161 1.00 0.00 C ATOM 761 O ALA A 48 6.831 -0.271 -11.059 1.00 0.00 O ATOM 762 CB ALA A 48 5.393 1.630 -8.980 1.00 0.00 C ATOM 0 H ALA A 48 4.573 3.225 -10.710 1.00 0.00 H new ATOM 0 HA ALA A 48 7.184 2.105 -10.090 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.832 0.767 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.474 2.504 -8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.342 1.432 -9.191 1.00 0.00 H new ATOM 768 N PHE A 49 4.999 0.629 -12.012 1.00 0.00 N ATOM 769 CA PHE A 49 4.771 -0.511 -12.895 1.00 0.00 C ATOM 770 C PHE A 49 5.810 -0.536 -14.002 1.00 0.00 C ATOM 771 O PHE A 49 6.180 -1.603 -14.495 1.00 0.00 O ATOM 772 CB PHE A 49 3.367 -0.436 -13.505 1.00 0.00 C ATOM 773 CG PHE A 49 3.457 -0.565 -15.007 1.00 0.00 C ATOM 774 CD1 PHE A 49 3.726 0.563 -15.793 1.00 0.00 C ATOM 775 CD2 PHE A 49 3.270 -1.813 -15.617 1.00 0.00 C ATOM 776 CE1 PHE A 49 3.808 0.444 -17.186 1.00 0.00 C ATOM 777 CE2 PHE A 49 3.352 -1.932 -17.011 1.00 0.00 C ATOM 778 CZ PHE A 49 3.621 -0.803 -17.795 1.00 0.00 C ATOM 0 H PHE A 49 4.319 1.383 -12.109 1.00 0.00 H new ATOM 0 HA PHE A 49 4.856 -1.425 -12.308 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.741 -1.230 -13.099 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.895 0.510 -13.239 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.870 1.525 -15.324 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.063 -2.684 -15.012 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.016 1.314 -17.791 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.208 -2.894 -17.480 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.684 -0.894 -18.869 1.00 0.00 H new ATOM 788 N LYS A 50 6.272 0.646 -14.387 1.00 0.00 N ATOM 789 CA LYS A 50 7.272 0.756 -15.442 1.00 0.00 C ATOM 790 C LYS A 50 8.517 -0.051 -15.086 1.00 0.00 C ATOM 791 O LYS A 50 9.259 0.310 -14.171 1.00 0.00 O ATOM 792 CB LYS A 50 7.659 2.222 -15.653 1.00 0.00 C ATOM 793 CG LYS A 50 6.396 3.082 -15.719 1.00 0.00 C ATOM 794 CD LYS A 50 6.785 4.551 -15.895 1.00 0.00 C ATOM 795 CE LYS A 50 7.485 4.749 -17.244 1.00 0.00 C ATOM 796 NZ LYS A 50 7.149 6.098 -17.782 1.00 0.00 N ATOM 0 H LYS A 50 5.974 1.536 -13.989 1.00 0.00 H new ATOM 0 HA LYS A 50 6.842 0.359 -16.362 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.299 2.560 -14.838 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.232 2.328 -16.574 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.767 2.760 -16.549 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.810 2.957 -14.808 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.897 5.180 -15.841 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.445 4.861 -15.085 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.564 4.651 -17.124 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.171 3.977 -17.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.623 6.235 -18.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.120 6.174 -17.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.469 6.828 -17.114 1.00 0.00 H new ATOM 810 N GLY A 51 8.737 -1.142 -15.813 1.00 0.00 N ATOM 811 CA GLY A 51 9.895 -1.997 -15.569 1.00 0.00 C ATOM 812 C GLY A 51 9.479 -3.457 -15.423 1.00 0.00 C ATOM 813 O GLY A 51 10.133 -4.353 -15.954 1.00 0.00 O ATOM 0 H GLY A 51 8.132 -1.454 -16.573 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.604 -1.898 -16.391 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.408 -1.670 -14.665 1.00 0.00 H new ATOM 817 N MET A 52 8.387 -3.686 -14.697 1.00 0.00 N ATOM 818 CA MET A 52 7.884 -5.034 -14.482 1.00 0.00 C ATOM 819 C MET A 52 8.026 -5.871 -15.748 1.00 0.00 C ATOM 820 O MET A 52 7.482 -5.528 -16.797 1.00 0.00 O ATOM 821 CB MET A 52 6.414 -4.972 -14.070 1.00 0.00 C ATOM 822 CG MET A 52 6.222 -5.712 -12.745 1.00 0.00 C ATOM 823 SD MET A 52 7.065 -4.812 -11.418 1.00 0.00 S ATOM 824 CE MET A 52 5.590 -4.171 -10.582 1.00 0.00 C ATOM 0 H MET A 52 7.836 -2.954 -14.249 1.00 0.00 H new ATOM 0 HA MET A 52 8.469 -5.501 -13.690 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.098 -3.934 -13.968 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.790 -5.421 -14.843 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.160 -5.803 -12.518 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.620 -6.724 -12.821 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.890 -3.577 -9.719 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.023 -3.547 -11.273 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.969 -5.003 -10.251 1.00 0.00 H new ATOM 834 N THR A 53 8.764 -6.970 -15.643 1.00 0.00 N ATOM 835 CA THR A 53 8.971 -7.845 -16.787 1.00 0.00 C ATOM 836 C THR A 53 7.737 -8.698 -17.040 1.00 0.00 C ATOM 837 O THR A 53 6.929 -8.922 -16.139 1.00 0.00 O ATOM 838 CB THR A 53 10.179 -8.740 -16.548 1.00 0.00 C ATOM 839 OG1 THR A 53 9.856 -9.726 -15.577 1.00 0.00 O ATOM 840 CG2 THR A 53 11.335 -7.880 -16.046 1.00 0.00 C ATOM 0 H THR A 53 9.225 -7.273 -14.785 1.00 0.00 H new ATOM 0 HA THR A 53 9.152 -7.226 -17.666 1.00 0.00 H new ATOM 0 HB THR A 53 10.464 -9.236 -17.476 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.166 -10.603 -15.886 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.207 -8.510 -15.871 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.577 -7.124 -16.793 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.047 -7.391 -15.115 1.00 0.00 H new ATOM 848 N SER A 54 7.597 -9.160 -18.274 1.00 0.00 N ATOM 849 CA SER A 54 6.452 -9.981 -18.645 1.00 0.00 C ATOM 850 C SER A 54 6.411 -11.259 -17.812 1.00 0.00 C ATOM 851 O SER A 54 5.342 -11.724 -17.410 1.00 0.00 O ATOM 852 CB SER A 54 6.525 -10.340 -20.129 1.00 0.00 C ATOM 853 OG SER A 54 5.577 -9.563 -20.849 1.00 0.00 O ATOM 0 H SER A 54 8.257 -8.982 -19.031 1.00 0.00 H new ATOM 0 HA SER A 54 5.544 -9.409 -18.453 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.529 -10.154 -20.511 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.322 -11.402 -20.268 1.00 0.00 H new ATOM 0 HG SER A 54 5.623 -9.790 -21.801 1.00 0.00 H new ATOM 859 N GLU A 55 7.584 -11.823 -17.555 1.00 0.00 N ATOM 860 CA GLU A 55 7.669 -13.047 -16.771 1.00 0.00 C ATOM 861 C GLU A 55 7.316 -12.774 -15.315 1.00 0.00 C ATOM 862 O GLU A 55 6.623 -13.562 -14.676 1.00 0.00 O ATOM 863 CB GLU A 55 9.082 -13.627 -16.861 1.00 0.00 C ATOM 864 CG GLU A 55 9.024 -15.144 -16.677 1.00 0.00 C ATOM 865 CD GLU A 55 10.433 -15.725 -16.697 1.00 0.00 C ATOM 866 OE1 GLU A 55 11.144 -15.534 -15.724 1.00 0.00 O ATOM 867 OE2 GLU A 55 10.779 -16.351 -17.684 1.00 0.00 O ATOM 0 H GLU A 55 8.481 -11.457 -17.874 1.00 0.00 H new ATOM 0 HA GLU A 55 6.957 -13.767 -17.174 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.525 -13.384 -17.827 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.719 -13.181 -16.097 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.535 -15.386 -15.733 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.425 -15.592 -17.470 1.00 0.00 H new ATOM 874 N GLU A 56 7.795 -11.649 -14.800 1.00 0.00 N ATOM 875 CA GLU A 56 7.520 -11.281 -13.419 1.00 0.00 C ATOM 876 C GLU A 56 6.018 -11.220 -13.167 1.00 0.00 C ATOM 877 O GLU A 56 5.500 -11.905 -12.287 1.00 0.00 O ATOM 878 CB GLU A 56 8.147 -9.920 -13.103 1.00 0.00 C ATOM 879 CG GLU A 56 9.638 -10.097 -12.808 1.00 0.00 C ATOM 880 CD GLU A 56 9.864 -10.194 -11.302 1.00 0.00 C ATOM 881 OE1 GLU A 56 9.150 -10.949 -10.663 1.00 0.00 O ATOM 882 OE2 GLU A 56 10.749 -9.512 -10.812 1.00 0.00 O ATOM 0 H GLU A 56 8.371 -10.981 -15.313 1.00 0.00 H new ATOM 0 HA GLU A 56 7.955 -12.041 -12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.011 -9.241 -13.945 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.648 -9.469 -12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.010 -10.997 -13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.200 -9.256 -13.215 1.00 0.00 H new ATOM 889 N LYS A 57 5.320 -10.394 -13.938 1.00 0.00 N ATOM 890 CA LYS A 57 3.877 -10.261 -13.764 1.00 0.00 C ATOM 891 C LYS A 57 3.189 -11.618 -13.892 1.00 0.00 C ATOM 892 O LYS A 57 2.204 -11.889 -13.201 1.00 0.00 O ATOM 893 CB LYS A 57 3.309 -9.290 -14.805 1.00 0.00 C ATOM 894 CG LYS A 57 3.684 -9.774 -16.205 1.00 0.00 C ATOM 895 CD LYS A 57 3.099 -8.833 -17.260 1.00 0.00 C ATOM 896 CE LYS A 57 2.859 -9.604 -18.565 1.00 0.00 C ATOM 897 NZ LYS A 57 1.440 -10.056 -18.623 1.00 0.00 N ATOM 0 H LYS A 57 5.720 -9.816 -14.677 1.00 0.00 H new ATOM 0 HA LYS A 57 3.687 -9.869 -12.765 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.225 -9.228 -14.708 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.702 -8.287 -14.637 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.769 -9.816 -16.305 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.310 -10.786 -16.361 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.163 -8.406 -16.901 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.781 -8.001 -17.438 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.084 -8.969 -19.422 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.528 -10.463 -18.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.278 -10.578 -19.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.240 -10.677 -17.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.811 -9.229 -18.589 1.00 0.00 H new ATOM 911 N GLU A 58 3.704 -12.463 -14.781 1.00 0.00 N ATOM 912 CA GLU A 58 3.123 -13.778 -14.990 1.00 0.00 C ATOM 913 C GLU A 58 3.386 -14.682 -13.791 1.00 0.00 C ATOM 914 O GLU A 58 2.488 -15.374 -13.315 1.00 0.00 O ATOM 915 CB GLU A 58 3.722 -14.400 -16.248 1.00 0.00 C ATOM 916 CG GLU A 58 3.348 -15.877 -16.305 1.00 0.00 C ATOM 917 CD GLU A 58 3.220 -16.329 -17.756 1.00 0.00 C ATOM 918 OE1 GLU A 58 2.110 -16.322 -18.262 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.235 -16.674 -18.340 1.00 0.00 O ATOM 0 H GLU A 58 4.517 -12.259 -15.363 1.00 0.00 H new ATOM 0 HA GLU A 58 2.045 -13.671 -15.108 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.352 -13.885 -17.134 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.806 -14.287 -16.243 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.106 -16.472 -15.796 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.407 -16.043 -15.780 1.00 0.00 H new ATOM 926 N ILE A 59 4.617 -14.672 -13.303 1.00 0.00 N ATOM 927 CA ILE A 59 4.970 -15.496 -12.156 1.00 0.00 C ATOM 928 C ILE A 59 4.099 -15.134 -10.957 1.00 0.00 C ATOM 929 O ILE A 59 3.901 -15.944 -10.054 1.00 0.00 O ATOM 930 CB ILE A 59 6.441 -15.289 -11.803 1.00 0.00 C ATOM 931 CG1 ILE A 59 7.313 -15.927 -12.885 1.00 0.00 C ATOM 932 CG2 ILE A 59 6.738 -15.945 -10.453 1.00 0.00 C ATOM 933 CD1 ILE A 59 8.659 -15.204 -12.951 1.00 0.00 C ATOM 0 H ILE A 59 5.381 -14.110 -13.678 1.00 0.00 H new ATOM 0 HA ILE A 59 4.803 -16.542 -12.411 1.00 0.00 H new ATOM 0 HB ILE A 59 6.657 -14.222 -11.742 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.467 -16.984 -12.666 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.811 -15.871 -13.851 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.788 -15.798 -10.200 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.113 -15.493 -9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.525 -17.012 -10.513 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.279 -15.660 -13.723 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.496 -14.153 -13.190 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.162 -15.283 -11.987 1.00 0.00 H new ATOM 945 N LEU A 60 3.581 -13.910 -10.958 1.00 0.00 N ATOM 946 CA LEU A 60 2.732 -13.447 -9.866 1.00 0.00 C ATOM 947 C LEU A 60 1.316 -14.002 -10.011 1.00 0.00 C ATOM 948 O LEU A 60 0.804 -14.670 -9.114 1.00 0.00 O ATOM 949 CB LEU A 60 2.680 -11.916 -9.859 1.00 0.00 C ATOM 950 CG LEU A 60 3.649 -11.368 -8.807 1.00 0.00 C ATOM 951 CD1 LEU A 60 5.038 -11.977 -9.010 1.00 0.00 C ATOM 952 CD2 LEU A 60 3.744 -9.846 -8.946 1.00 0.00 C ATOM 0 H LEU A 60 3.733 -13.224 -11.698 1.00 0.00 H new ATOM 0 HA LEU A 60 3.156 -13.804 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.942 -11.530 -10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.666 -11.579 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 60 3.281 -11.628 -7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.722 -11.583 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.978 -13.061 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.405 -11.722 -10.004 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.433 -9.455 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.108 -9.594 -9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.758 -9.405 -8.797 1.00 0.00 H new ATOM 964 N ILE A 61 0.690 -13.720 -11.150 1.00 0.00 N ATOM 965 CA ILE A 61 -0.668 -14.189 -11.407 1.00 0.00 C ATOM 966 C ILE A 61 -0.680 -15.702 -11.614 1.00 0.00 C ATOM 967 O ILE A 61 -1.741 -16.329 -11.634 1.00 0.00 O ATOM 968 CB ILE A 61 -1.245 -13.493 -12.651 1.00 0.00 C ATOM 969 CG1 ILE A 61 -0.544 -14.003 -13.912 1.00 0.00 C ATOM 970 CG2 ILE A 61 -1.032 -11.980 -12.550 1.00 0.00 C ATOM 971 CD1 ILE A 61 -1.452 -14.992 -14.642 1.00 0.00 C ATOM 0 H ILE A 61 1.099 -13.172 -11.907 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.284 -13.945 -10.542 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.311 -13.715 -12.707 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.300 -13.167 -14.567 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.397 -14.486 -13.647 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.444 -11.495 -13.435 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.535 -11.600 -11.661 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.035 -11.766 -12.482 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.950 -15.353 -15.539 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.674 -15.834 -13.987 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.381 -14.495 -14.921 1.00 0.00 H new ATOM 983 N ARG A 62 0.506 -16.279 -11.772 1.00 0.00 N ATOM 984 CA ARG A 62 0.626 -17.717 -11.985 1.00 0.00 C ATOM 985 C ARG A 62 0.186 -18.486 -10.745 1.00 0.00 C ATOM 986 O ARG A 62 -0.222 -19.643 -10.838 1.00 0.00 O ATOM 987 CB ARG A 62 2.075 -18.072 -12.319 1.00 0.00 C ATOM 988 CG ARG A 62 2.273 -19.587 -12.202 1.00 0.00 C ATOM 989 CD ARG A 62 3.444 -20.028 -13.084 1.00 0.00 C ATOM 990 NE ARG A 62 4.189 -21.105 -12.440 1.00 0.00 N ATOM 991 CZ ARG A 62 3.695 -22.337 -12.366 1.00 0.00 C ATOM 992 NH1 ARG A 62 2.516 -22.601 -12.859 1.00 0.00 N ATOM 993 NH2 ARG A 62 4.397 -23.286 -11.808 1.00 0.00 N ATOM 0 H ARG A 62 1.394 -15.777 -11.757 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.021 -17.996 -12.816 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.318 -17.740 -13.328 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.753 -17.553 -11.641 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.466 -19.858 -11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.363 -20.106 -12.504 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.072 -20.363 -14.052 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.105 -19.182 -13.272 1.00 0.00 H new ATOM 0 HE ARG A 62 5.106 -20.909 -12.039 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.971 -21.861 -13.302 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.139 -23.547 -12.801 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.322 -23.081 -11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.020 -24.232 -11.750 1.00 0.00 H new ATOM 1007 N ASP A 63 0.268 -17.834 -9.590 1.00 0.00 N ATOM 1008 CA ASP A 63 -0.129 -18.463 -8.335 1.00 0.00 C ATOM 1009 C ASP A 63 -1.153 -17.599 -7.614 1.00 0.00 C ATOM 1010 O ASP A 63 -0.970 -16.388 -7.474 1.00 0.00 O ATOM 1011 CB ASP A 63 1.088 -18.661 -7.437 1.00 0.00 C ATOM 1012 CG ASP A 63 1.338 -20.150 -7.228 1.00 0.00 C ATOM 1013 OD1 ASP A 63 2.473 -20.568 -7.387 1.00 0.00 O ATOM 1014 OD2 ASP A 63 0.390 -20.851 -6.915 1.00 0.00 O ATOM 0 H ASP A 63 0.604 -16.875 -9.497 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.572 -19.433 -8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.964 -18.196 -7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.926 -18.172 -6.477 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.231 -18.225 -7.159 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.275 -17.495 -6.457 1.00 0.00 C ATOM 1021 C LYS A 64 -2.731 -16.932 -5.152 1.00 0.00 C ATOM 1022 O LYS A 64 -3.076 -15.831 -4.747 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.472 -18.430 -6.189 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.377 -17.906 -5.053 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.983 -16.548 -5.422 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.507 -16.641 -5.332 1.00 0.00 C ATOM 1027 NZ LYS A 64 -8.105 -15.342 -5.738 1.00 0.00 N ATOM 0 H LYS A 64 -2.403 -19.225 -7.262 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.612 -16.663 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.060 -18.535 -7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.105 -19.423 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.174 -18.623 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.798 -17.813 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.613 -15.775 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.682 -16.263 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.872 -17.440 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.808 -16.890 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.141 -15.403 -5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.765 -14.590 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.828 -15.123 -6.716 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.885 -17.696 -4.489 1.00 0.00 N ATOM 1042 CA ASN A 65 -1.323 -17.252 -3.226 1.00 0.00 C ATOM 1043 C ASN A 65 -0.329 -16.113 -3.443 1.00 0.00 C ATOM 1044 O ASN A 65 -0.131 -15.270 -2.564 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.633 -18.423 -2.531 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.233 -18.624 -1.145 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -1.378 -17.665 -0.386 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -1.595 -19.819 -0.767 1.00 0.00 N ATOM 0 H ASN A 65 -1.574 -18.617 -4.798 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.132 -16.882 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.750 -19.330 -3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.437 -18.231 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.999 -19.961 0.159 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.474 -20.612 -1.397 1.00 0.00 H new ATOM 1055 N ALA A 66 0.294 -16.093 -4.615 1.00 0.00 N ATOM 1056 CA ALA A 66 1.274 -15.062 -4.930 1.00 0.00 C ATOM 1057 C ALA A 66 0.612 -13.703 -5.095 1.00 0.00 C ATOM 1058 O ALA A 66 0.900 -12.752 -4.348 1.00 0.00 O ATOM 1059 CB ALA A 66 1.992 -15.434 -6.223 1.00 0.00 C ATOM 0 H ALA A 66 0.139 -16.774 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 66 1.984 -14.998 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.727 -14.666 -6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.496 -16.392 -6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.267 -15.510 -7.033 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.286 -13.606 -6.068 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.967 -12.348 -6.287 1.00 0.00 C ATOM 1067 C LEU A 67 -1.676 -11.937 -5.008 1.00 0.00 C ATOM 1068 O LEU A 67 -1.757 -10.753 -4.690 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.949 -12.437 -7.479 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.422 -12.504 -7.023 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -4.331 -12.329 -8.239 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.707 -13.863 -6.381 1.00 0.00 C ATOM 0 H LEU A 67 -0.550 -14.363 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.233 -11.585 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.811 -11.571 -8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.715 -13.320 -8.074 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.610 -11.714 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.373 -12.375 -7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.135 -11.363 -8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.134 -13.124 -8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.748 -13.903 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.519 -14.655 -7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.057 -14.001 -5.517 1.00 0.00 H new ATOM 1084 N GLN A 68 -2.213 -12.917 -4.285 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.941 -12.617 -3.059 1.00 0.00 C ATOM 1086 C GLN A 68 -2.035 -11.882 -2.081 1.00 0.00 C ATOM 1087 O GLN A 68 -2.406 -10.846 -1.507 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.477 -13.890 -2.394 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.977 -14.043 -2.685 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.792 -13.170 -1.747 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.810 -11.886 -1.955 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.414 -13.664 -0.806 1.00 0.00 N flip ATOM 0 H GLN A 68 -2.159 -13.908 -4.522 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.789 -11.987 -3.326 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.936 -14.760 -2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.310 -13.846 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.183 -13.767 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.272 -15.086 -2.569 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.392 -14.672 -0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.951 -13.065 -0.179 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.837 -12.422 -1.892 1.00 0.00 N ATOM 1102 CA ASN A 69 0.107 -11.810 -0.990 1.00 0.00 C ATOM 1103 C ASN A 69 0.305 -10.347 -1.361 1.00 0.00 C ATOM 1104 O ASN A 69 0.320 -9.471 -0.498 1.00 0.00 O ATOM 1105 CB ASN A 69 1.441 -12.542 -1.052 1.00 0.00 C ATOM 1106 CG ASN A 69 2.522 -11.601 -1.566 1.00 0.00 C ATOM 1107 OD1 ASN A 69 2.952 -10.697 -0.851 1.00 0.00 O ATOM 1108 ND2 ASN A 69 2.986 -11.758 -2.775 1.00 0.00 N ATOM 0 H ASN A 69 -0.507 -13.272 -2.349 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.285 -11.872 0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.709 -12.913 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.360 -13.410 -1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.707 -11.130 -3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.627 -12.509 -3.365 1.00 0.00 H new ATOM 1115 N ILE A 70 0.456 -10.085 -2.654 1.00 0.00 N ATOM 1116 CA ILE A 70 0.651 -8.712 -3.112 1.00 0.00 C ATOM 1117 C ILE A 70 -0.647 -7.912 -3.028 1.00 0.00 C ATOM 1118 O ILE A 70 -0.631 -6.725 -2.711 1.00 0.00 O ATOM 1119 CB ILE A 70 1.165 -8.705 -4.550 1.00 0.00 C ATOM 1120 CG1 ILE A 70 2.664 -9.030 -4.562 1.00 0.00 C ATOM 1121 CG2 ILE A 70 0.933 -7.321 -5.159 1.00 0.00 C ATOM 1122 CD1 ILE A 70 2.951 -10.038 -5.673 1.00 0.00 C ATOM 0 H ILE A 70 0.448 -10.789 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 70 1.388 -8.243 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 70 0.632 -9.455 -5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.244 -8.121 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.968 -9.437 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.298 -7.310 -6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.133 -7.094 -5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.468 -6.572 -4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.015 -10.272 -5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.381 -10.950 -5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.662 -9.613 -6.634 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.768 -8.561 -3.314 1.00 0.00 N ATOM 1135 CA ILE A 71 -3.058 -7.882 -3.265 1.00 0.00 C ATOM 1136 C ILE A 71 -3.221 -7.130 -1.955 1.00 0.00 C ATOM 1137 O ILE A 71 -3.646 -5.974 -1.941 1.00 0.00 O ATOM 1138 CB ILE A 71 -4.187 -8.899 -3.409 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.378 -9.242 -4.893 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.485 -8.337 -2.827 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.351 -8.256 -5.537 1.00 0.00 C ATOM 0 H ILE A 71 -1.812 -9.545 -3.579 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.100 -7.168 -4.088 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.926 -9.804 -2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.418 -9.208 -5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.758 -10.259 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.282 -9.073 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.342 -8.111 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.758 -7.425 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.480 -8.507 -6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.314 -8.312 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.954 -7.245 -5.452 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.892 -7.785 -0.845 1.00 0.00 N ATOM 1154 CA LEU A 72 -3.029 -7.134 0.450 1.00 0.00 C ATOM 1155 C LEU A 72 -2.248 -5.830 0.487 1.00 0.00 C ATOM 1156 O LEU A 72 -2.438 -5.011 1.385 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.542 -8.071 1.535 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.469 -9.279 1.549 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.634 -10.547 1.618 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.442 -9.192 2.743 1.00 0.00 C ATOM 0 H LEU A 72 -2.538 -8.741 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.080 -6.898 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.514 -8.379 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.549 -7.572 2.504 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.064 -9.296 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.292 -11.416 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.978 -10.599 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.032 -10.537 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.099 -10.062 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.875 -9.168 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.041 -8.285 2.659 1.00 0.00 H new ATOM 1172 N TYR A 73 -1.374 -5.640 -0.496 1.00 0.00 N ATOM 1173 CA TYR A 73 -0.578 -4.423 -0.568 1.00 0.00 C ATOM 1174 C TYR A 73 0.165 -4.189 0.737 1.00 0.00 C ATOM 1175 O TYR A 73 0.377 -3.047 1.142 1.00 0.00 O ATOM 1176 CB TYR A 73 -1.476 -3.216 -0.866 1.00 0.00 C ATOM 1177 CG TYR A 73 -2.513 -3.588 -1.900 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -2.118 -4.149 -3.121 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -3.872 -3.371 -1.637 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -3.079 -4.492 -4.077 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -4.831 -3.714 -2.594 1.00 0.00 C ATOM 1182 CZ TYR A 73 -4.434 -4.275 -3.813 1.00 0.00 C ATOM 1183 OH TYR A 73 -5.382 -4.613 -4.755 1.00 0.00 O ATOM 0 H TYR A 73 -1.201 -6.308 -1.247 1.00 0.00 H new ATOM 0 HA TYR A 73 0.147 -4.542 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.966 -2.882 0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.872 -2.383 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.071 -4.317 -3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.178 -2.939 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.774 -4.924 -5.019 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.879 -3.546 -2.393 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.774 -5.482 -4.528 1.00 0.00 H new ATOM 1193 N HIS A 74 0.564 -5.275 1.393 1.00 0.00 N ATOM 1194 CA HIS A 74 1.287 -5.156 2.652 1.00 0.00 C ATOM 1195 C HIS A 74 0.384 -4.565 3.729 1.00 0.00 C ATOM 1196 O HIS A 74 0.854 -3.874 4.632 1.00 0.00 O ATOM 1197 CB HIS A 74 2.524 -4.267 2.473 1.00 0.00 C ATOM 1198 CG HIS A 74 2.988 -4.313 1.038 1.00 0.00 C ATOM 1199 ND1 HIS A 74 2.775 -5.414 0.223 1.00 0.00 N ATOM 1200 CD2 HIS A 74 3.633 -3.389 0.254 1.00 0.00 C ATOM 1201 CE1 HIS A 74 3.275 -5.126 -0.991 1.00 0.00 C ATOM 1202 NE2 HIS A 74 3.807 -3.903 -1.028 1.00 0.00 N ATOM 0 H HIS A 74 0.402 -6.232 1.079 1.00 0.00 H new ATOM 0 HA HIS A 74 1.604 -6.152 2.961 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.289 -3.241 2.755 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.323 -4.604 3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.956 -2.412 0.582 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.249 -5.802 -1.833 1.00 0.00 H new ATOM 0 HE2 HIS A 74 4.247 -3.443 -1.825 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.919 -4.844 3.630 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.874 -4.332 4.610 1.00 0.00 C ATOM 1213 C LEU A 75 -1.331 -4.556 6.010 1.00 0.00 C ATOM 1214 O LEU A 75 -0.941 -5.671 6.346 1.00 0.00 O ATOM 1215 CB LEU A 75 -3.236 -5.029 4.438 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.900 -5.330 5.797 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.150 -4.026 6.550 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.244 -6.015 5.562 1.00 0.00 C ATOM 0 H LEU A 75 -1.330 -5.414 2.891 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.016 -3.263 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.895 -4.397 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.101 -5.959 3.885 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.241 -5.975 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.619 -4.244 7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.202 -3.515 6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.808 -3.386 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.716 -6.229 6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.890 -5.359 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.087 -6.947 5.019 1.00 0.00 H new ATOM 1230 N THR A 76 -1.313 -3.505 6.820 1.00 0.00 N ATOM 1231 CA THR A 76 -0.805 -3.623 8.183 1.00 0.00 C ATOM 1232 C THR A 76 -1.861 -3.180 9.198 1.00 0.00 C ATOM 1233 O THR A 76 -2.750 -2.408 8.853 1.00 0.00 O ATOM 1234 CB THR A 76 0.476 -2.783 8.342 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.502 -3.611 8.868 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.251 -1.604 9.297 1.00 0.00 C ATOM 0 H THR A 76 -1.639 -2.573 6.563 1.00 0.00 H new ATOM 0 HA THR A 76 -0.569 -4.670 8.374 1.00 0.00 H new ATOM 0 HB THR A 76 0.757 -2.388 7.366 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.324 -3.087 8.972 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.173 -1.030 9.389 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.538 -0.963 8.904 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.042 -1.980 10.277 1.00 0.00 H new ATOM 1244 N PRO A 77 -1.781 -3.617 10.444 1.00 0.00 N ATOM 1245 CA PRO A 77 -2.762 -3.221 11.487 1.00 0.00 C ATOM 1246 C PRO A 77 -2.358 -1.927 12.186 1.00 0.00 C ATOM 1247 O PRO A 77 -1.176 -1.686 12.424 1.00 0.00 O ATOM 1248 CB PRO A 77 -2.740 -4.405 12.473 1.00 0.00 C ATOM 1249 CG PRO A 77 -1.659 -5.329 11.996 1.00 0.00 C ATOM 1250 CD PRO A 77 -0.788 -4.519 11.040 1.00 0.00 C ATOM 0 HA PRO A 77 -3.750 -3.025 11.070 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.539 -4.062 13.488 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.705 -4.912 12.493 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.071 -5.703 12.834 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.085 -6.197 11.492 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.000 -3.976 11.561 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.302 -5.147 10.293 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.345 -1.103 12.504 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.079 0.165 13.172 1.00 0.00 C ATOM 1260 C GLY A 78 -2.553 1.195 12.182 1.00 0.00 C ATOM 1261 O GLY A 78 -1.495 1.009 11.577 1.00 0.00 O ATOM 0 H GLY A 78 -4.330 -1.286 12.313 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.992 0.535 13.638 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.352 0.016 13.970 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.295 2.279 12.025 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.896 3.334 11.103 1.00 0.00 C ATOM 1267 C VAL A 79 -1.440 3.725 11.346 1.00 0.00 C ATOM 1268 O VAL A 79 -1.041 4.007 12.476 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.795 4.558 11.291 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -5.150 4.292 10.633 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -4.001 4.828 12.784 1.00 0.00 C ATOM 0 H VAL A 79 -4.170 2.453 12.519 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.999 2.964 10.083 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.323 5.427 10.831 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.795 5.161 10.764 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.007 4.103 9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.615 3.422 11.097 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.642 5.701 12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.471 3.962 13.249 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.037 5.014 13.257 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.647 3.726 10.278 1.00 0.00 N ATOM 1282 CA PHE A 80 0.765 4.067 10.389 1.00 0.00 C ATOM 1283 C PHE A 80 0.944 5.532 10.774 1.00 0.00 C ATOM 1284 O PHE A 80 0.429 6.430 10.106 1.00 0.00 O ATOM 1285 CB PHE A 80 1.469 3.809 9.058 1.00 0.00 C ATOM 1286 CG PHE A 80 2.006 5.111 8.526 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.288 5.814 7.557 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.210 5.627 9.020 1.00 0.00 C ATOM 1289 CE1 PHE A 80 1.769 7.034 7.077 1.00 0.00 C ATOM 1290 CE2 PHE A 80 3.697 6.847 8.537 1.00 0.00 C ATOM 1291 CZ PHE A 80 2.975 7.552 7.565 1.00 0.00 C ATOM 0 H PHE A 80 -0.956 3.496 9.334 1.00 0.00 H new ATOM 0 HA PHE A 80 1.203 3.442 11.168 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.281 3.095 9.194 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.773 3.369 8.344 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.359 5.414 7.178 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.762 5.084 9.773 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.211 7.578 6.329 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.628 7.244 8.913 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.348 8.494 7.192 1.00 0.00 H new ATOM 1301 N ILE A 81 1.689 5.764 11.851 1.00 0.00 N ATOM 1302 CA ILE A 81 1.952 7.125 12.313 1.00 0.00 C ATOM 1303 C ILE A 81 3.442 7.332 12.503 1.00 0.00 C ATOM 1304 O ILE A 81 4.181 6.387 12.787 1.00 0.00 O ATOM 1305 CB ILE A 81 1.245 7.387 13.641 1.00 0.00 C ATOM 1306 CG1 ILE A 81 0.082 6.404 13.782 1.00 0.00 C ATOM 1307 CG2 ILE A 81 0.722 8.823 13.671 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.786 6.774 14.988 1.00 0.00 C ATOM 0 H ILE A 81 2.119 5.033 12.418 1.00 0.00 H new ATOM 0 HA ILE A 81 1.575 7.817 11.560 1.00 0.00 H new ATOM 0 HB ILE A 81 1.943 7.251 14.467 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.522 6.413 12.875 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.466 5.391 13.899 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.218 9.007 14.620 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.556 9.516 13.563 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.018 8.971 12.852 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.609 6.065 15.075 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.182 6.741 15.895 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.185 7.779 14.854 1.00 0.00 H new ATOM 1320 N GLY A 82 3.881 8.574 12.379 1.00 0.00 N ATOM 1321 CA GLY A 82 5.286 8.888 12.573 1.00 0.00 C ATOM 1322 C GLY A 82 5.758 8.381 13.935 1.00 0.00 C ATOM 1323 O GLY A 82 6.937 8.488 14.273 1.00 0.00 O ATOM 0 H GLY A 82 3.291 9.373 12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.881 8.432 11.781 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.438 9.965 12.505 1.00 0.00 H new ATOM 1327 N LYS A 83 4.831 7.826 14.719 1.00 0.00 N ATOM 1328 CA LYS A 83 5.172 7.304 16.036 1.00 0.00 C ATOM 1329 C LYS A 83 5.948 8.345 16.818 1.00 0.00 C ATOM 1330 O LYS A 83 6.677 8.023 17.759 1.00 0.00 O ATOM 1331 CB LYS A 83 6.011 6.042 15.877 1.00 0.00 C ATOM 1332 CG LYS A 83 5.107 4.815 15.951 1.00 0.00 C ATOM 1333 CD LYS A 83 5.834 3.616 15.347 1.00 0.00 C ATOM 1334 CE LYS A 83 4.910 2.401 15.367 1.00 0.00 C ATOM 1335 NZ LYS A 83 5.678 1.200 15.799 1.00 0.00 N ATOM 0 H LYS A 83 3.848 7.729 14.464 1.00 0.00 H new ATOM 0 HA LYS A 83 4.258 7.065 16.579 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.538 6.061 14.923 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.769 5.996 16.659 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.839 4.608 16.987 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.178 5.001 15.412 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.138 3.839 14.324 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.742 3.405 15.911 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.076 2.576 16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.485 2.237 14.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.049 0.372 15.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.459 1.030 15.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.063 1.358 16.752 1.00 0.00 H new ATOM 1349 N GLY A 84 5.777 9.593 16.409 1.00 0.00 N ATOM 1350 CA GLY A 84 6.471 10.704 17.065 1.00 0.00 C ATOM 1351 C GLY A 84 7.866 10.272 17.532 1.00 0.00 C ATOM 1352 O GLY A 84 8.364 10.747 18.551 1.00 0.00 O ATOM 0 H GLY A 84 5.172 9.866 15.635 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.557 11.544 16.375 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.888 11.051 17.918 1.00 0.00 H new ATOM 1356 N PHE A 85 8.477 9.354 16.777 1.00 0.00 N ATOM 1357 CA PHE A 85 9.804 8.834 17.111 1.00 0.00 C ATOM 1358 C PHE A 85 10.902 9.616 16.400 1.00 0.00 C ATOM 1359 O PHE A 85 10.623 10.529 15.622 1.00 0.00 O ATOM 1360 CB PHE A 85 9.913 7.359 16.729 1.00 0.00 C ATOM 1361 CG PHE A 85 11.034 6.711 17.515 1.00 0.00 C ATOM 1362 CD1 PHE A 85 12.164 6.216 16.850 1.00 0.00 C ATOM 1363 CD2 PHE A 85 10.943 6.602 18.907 1.00 0.00 C ATOM 1364 CE1 PHE A 85 13.200 5.616 17.579 1.00 0.00 C ATOM 1365 CE2 PHE A 85 11.976 6.002 19.635 1.00 0.00 C ATOM 1366 CZ PHE A 85 13.104 5.509 18.972 1.00 0.00 C ATOM 0 H PHE A 85 8.072 8.956 15.930 1.00 0.00 H new ATOM 0 HA PHE A 85 9.935 8.945 18.187 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.971 6.850 16.933 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.102 7.263 15.660 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.237 6.297 15.775 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.073 6.982 19.421 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.072 5.236 17.067 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.902 5.920 20.709 1.00 0.00 H new ATOM 0 HZ PHE A 85 13.901 5.046 19.534 1.00 0.00 H new ATOM 1376 N GLU A 86 12.153 9.257 16.682 1.00 0.00 N ATOM 1377 CA GLU A 86 13.283 9.946 16.070 1.00 0.00 C ATOM 1378 C GLU A 86 13.302 9.733 14.546 1.00 0.00 C ATOM 1379 O GLU A 86 13.312 8.586 14.087 1.00 0.00 O ATOM 1380 CB GLU A 86 14.602 9.453 16.680 1.00 0.00 C ATOM 1381 CG GLU A 86 15.746 9.667 15.685 1.00 0.00 C ATOM 1382 CD GLU A 86 17.088 9.633 16.408 1.00 0.00 C ATOM 1383 OE1 GLU A 86 18.040 10.178 15.872 1.00 0.00 O ATOM 1384 OE2 GLU A 86 17.148 9.061 17.484 1.00 0.00 O ATOM 0 H GLU A 86 12.406 8.504 17.321 1.00 0.00 H new ATOM 0 HA GLU A 86 13.172 11.012 16.268 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.808 9.990 17.606 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.523 8.396 16.935 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.719 8.894 14.917 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.622 10.624 15.178 1.00 0.00 H new ATOM 1391 N PRO A 87 13.327 10.797 13.753 1.00 0.00 N ATOM 1392 CA PRO A 87 13.371 10.678 12.267 1.00 0.00 C ATOM 1393 C PRO A 87 14.770 10.319 11.770 1.00 0.00 C ATOM 1394 O PRO A 87 15.727 11.054 12.008 1.00 0.00 O ATOM 1395 CB PRO A 87 12.973 12.069 11.782 1.00 0.00 C ATOM 1396 CG PRO A 87 13.400 13.000 12.865 1.00 0.00 C ATOM 1397 CD PRO A 87 13.311 12.220 14.175 1.00 0.00 C ATOM 0 HA PRO A 87 12.717 9.888 11.898 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.463 12.312 10.839 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.899 12.133 11.609 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.417 13.353 12.693 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.758 13.880 12.894 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.149 12.450 14.833 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.400 12.463 14.722 1.00 0.00 H new ATOM 1405 N GLY A 88 14.877 9.187 11.084 1.00 0.00 N ATOM 1406 CA GLY A 88 16.163 8.739 10.562 1.00 0.00 C ATOM 1407 C GLY A 88 16.393 7.268 10.877 1.00 0.00 C ATOM 1408 O GLY A 88 17.239 6.617 10.265 1.00 0.00 O ATOM 0 H GLY A 88 14.095 8.566 10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.196 8.894 9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.964 9.338 10.995 1.00 0.00 H new ATOM 1412 N VAL A 89 15.641 6.746 11.841 1.00 0.00 N ATOM 1413 CA VAL A 89 15.784 5.349 12.224 1.00 0.00 C ATOM 1414 C VAL A 89 14.728 4.490 11.531 1.00 0.00 C ATOM 1415 O VAL A 89 13.560 4.866 11.457 1.00 0.00 O ATOM 1416 CB VAL A 89 15.649 5.216 13.739 1.00 0.00 C ATOM 1417 CG1 VAL A 89 16.757 6.020 14.420 1.00 0.00 C ATOM 1418 CG2 VAL A 89 14.288 5.755 14.179 1.00 0.00 C ATOM 0 H VAL A 89 14.935 7.263 12.365 1.00 0.00 H new ATOM 0 HA VAL A 89 16.769 5.001 11.915 1.00 0.00 H new ATOM 0 HB VAL A 89 15.733 4.166 14.021 1.00 0.00 H new ATOM 0 HG11 VAL A 89 16.662 5.926 15.502 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.729 5.638 14.106 1.00 0.00 H new ATOM 0 HG13 VAL A 89 16.671 7.069 14.138 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.191 5.660 15.261 1.00 0.00 H new ATOM 0 HG22 VAL A 89 14.204 6.805 13.898 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.496 5.185 13.693 1.00 0.00 H new ATOM 1428 N THR A 90 15.149 3.334 11.024 1.00 0.00 N ATOM 1429 CA THR A 90 14.225 2.432 10.342 1.00 0.00 C ATOM 1430 C THR A 90 13.444 1.604 11.358 1.00 0.00 C ATOM 1431 O THR A 90 14.016 0.769 12.060 1.00 0.00 O ATOM 1432 CB THR A 90 14.999 1.496 9.406 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.389 1.771 9.510 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.541 1.713 7.960 1.00 0.00 C ATOM 0 H THR A 90 16.112 3.002 11.071 1.00 0.00 H new ATOM 0 HA THR A 90 13.526 3.030 9.758 1.00 0.00 H new ATOM 0 HB THR A 90 14.808 0.461 9.691 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.886 1.173 8.914 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.094 1.046 7.299 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.475 1.501 7.880 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.728 2.747 7.670 1.00 0.00 H new ATOM 1442 N ASN A 91 12.138 1.834 11.430 1.00 0.00 N ATOM 1443 CA ASN A 91 11.293 1.098 12.363 1.00 0.00 C ATOM 1444 C ASN A 91 10.707 -0.137 11.675 1.00 0.00 C ATOM 1445 O ASN A 91 10.156 -0.046 10.579 1.00 0.00 O ATOM 1446 CB ASN A 91 10.164 2.002 12.874 1.00 0.00 C ATOM 1447 CG ASN A 91 10.543 3.473 12.693 1.00 0.00 C ATOM 1448 OD1 ASN A 91 10.318 4.041 11.626 1.00 0.00 O ATOM 1449 ND2 ASN A 91 11.095 4.137 13.678 1.00 0.00 N ATOM 0 H ASN A 91 11.644 2.519 10.858 1.00 0.00 H new ATOM 0 HA ASN A 91 11.898 0.776 13.211 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.243 1.787 12.333 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.971 1.795 13.927 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.336 5.121 13.558 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.284 3.670 14.565 1.00 0.00 H new ATOM 1456 N ILE A 92 10.849 -1.293 12.320 1.00 0.00 N ATOM 1457 CA ILE A 92 10.348 -2.547 11.758 1.00 0.00 C ATOM 1458 C ILE A 92 8.887 -2.764 12.125 1.00 0.00 C ATOM 1459 O ILE A 92 8.506 -2.656 13.291 1.00 0.00 O ATOM 1460 CB ILE A 92 11.179 -3.717 12.288 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.659 -3.311 12.360 1.00 0.00 C ATOM 1462 CG2 ILE A 92 11.020 -4.918 11.356 1.00 0.00 C ATOM 1463 CD1 ILE A 92 13.106 -2.715 11.021 1.00 0.00 C ATOM 0 H ILE A 92 11.304 -1.388 13.228 1.00 0.00 H new ATOM 0 HA ILE A 92 10.431 -2.491 10.673 1.00 0.00 H new ATOM 0 HB ILE A 92 10.832 -3.984 13.286 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.806 -2.584 13.158 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.271 -4.179 12.603 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.612 -5.752 11.733 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.970 -5.208 11.313 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.364 -4.651 10.357 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.156 -2.430 11.082 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.976 -3.455 10.232 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.504 -1.835 10.795 1.00 0.00 H new ATOM 1475 N LEU A 93 8.074 -3.076 11.122 1.00 0.00 N ATOM 1476 CA LEU A 93 6.656 -3.316 11.351 1.00 0.00 C ATOM 1477 C LEU A 93 6.201 -4.557 10.590 1.00 0.00 C ATOM 1478 O LEU A 93 6.662 -4.820 9.480 1.00 0.00 O ATOM 1479 CB LEU A 93 5.829 -2.103 10.908 1.00 0.00 C ATOM 1480 CG LEU A 93 6.055 -0.921 11.868 1.00 0.00 C ATOM 1481 CD1 LEU A 93 7.369 -0.195 11.545 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.893 0.063 11.730 1.00 0.00 C ATOM 0 H LEU A 93 8.370 -3.168 10.150 1.00 0.00 H new ATOM 0 HA LEU A 93 6.502 -3.477 12.418 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.108 -1.815 9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.771 -2.365 10.885 1.00 0.00 H new ATOM 0 HG LEU A 93 6.111 -1.305 12.887 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.505 0.636 12.237 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.203 -0.890 11.644 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.333 0.185 10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.046 0.903 12.407 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.845 0.428 10.704 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.959 -0.440 11.981 1.00 0.00 H new ATOM 1494 N LYS A 94 5.298 -5.316 11.200 1.00 0.00 N ATOM 1495 CA LYS A 94 4.787 -6.530 10.581 1.00 0.00 C ATOM 1496 C LYS A 94 3.439 -6.267 9.927 1.00 0.00 C ATOM 1497 O LYS A 94 2.609 -5.543 10.477 1.00 0.00 O ATOM 1498 CB LYS A 94 4.641 -7.626 11.635 1.00 0.00 C ATOM 1499 CG LYS A 94 5.685 -8.714 11.380 1.00 0.00 C ATOM 1500 CD LYS A 94 5.568 -9.803 12.448 1.00 0.00 C ATOM 1501 CE LYS A 94 4.657 -10.922 11.940 1.00 0.00 C ATOM 1502 NZ LYS A 94 5.447 -11.857 11.089 1.00 0.00 N ATOM 0 H LYS A 94 4.907 -5.112 12.120 1.00 0.00 H new ATOM 0 HA LYS A 94 5.492 -6.854 9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.772 -7.207 12.633 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.638 -8.052 11.597 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.540 -9.146 10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.686 -8.282 11.396 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.554 -10.202 12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.165 -9.382 13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.220 -11.460 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.831 -10.501 11.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.829 -12.618 10.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.844 -11.338 10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.221 -12.267 11.650 1.00 0.00 H new ATOM 1516 N THR A 95 3.228 -6.861 8.754 1.00 0.00 N ATOM 1517 CA THR A 95 1.970 -6.679 8.034 1.00 0.00 C ATOM 1518 C THR A 95 1.257 -8.019 7.854 1.00 0.00 C ATOM 1519 O THR A 95 1.813 -9.074 8.158 1.00 0.00 O ATOM 1520 CB THR A 95 2.236 -6.040 6.668 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.813 -7.003 5.800 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.188 -4.855 6.827 1.00 0.00 C ATOM 0 H THR A 95 3.903 -7.466 8.286 1.00 0.00 H new ATOM 0 HA THR A 95 1.328 -6.019 8.618 1.00 0.00 H new ATOM 0 HB THR A 95 1.295 -5.688 6.245 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.644 -7.342 6.194 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.374 -4.404 5.852 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.740 -4.115 7.490 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.130 -5.200 7.253 1.00 0.00 H new ATOM 1530 N THR A 96 0.022 -7.970 7.363 1.00 0.00 N ATOM 1531 CA THR A 96 -0.758 -9.187 7.154 1.00 0.00 C ATOM 1532 C THR A 96 -0.130 -10.065 6.078 1.00 0.00 C ATOM 1533 O THR A 96 -0.286 -11.286 6.089 1.00 0.00 O ATOM 1534 CB THR A 96 -2.186 -8.837 6.725 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.010 -9.986 6.858 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.184 -8.371 5.270 1.00 0.00 C ATOM 0 H THR A 96 -0.458 -7.108 7.104 1.00 0.00 H new ATOM 0 HA THR A 96 -0.773 -9.731 8.098 1.00 0.00 H new ATOM 0 HB THR A 96 -2.572 -8.037 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.925 -9.765 6.586 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.201 -8.122 4.966 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.550 -7.490 5.171 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.800 -9.168 4.633 1.00 0.00 H new ATOM 1544 N GLN A 97 0.563 -9.434 5.135 1.00 0.00 N ATOM 1545 CA GLN A 97 1.182 -10.170 4.039 1.00 0.00 C ATOM 1546 C GLN A 97 2.051 -11.299 4.594 1.00 0.00 C ATOM 1547 O GLN A 97 2.268 -12.311 3.929 1.00 0.00 O ATOM 1548 CB GLN A 97 2.068 -9.224 3.222 1.00 0.00 C ATOM 1549 CG GLN A 97 1.630 -9.218 1.760 1.00 0.00 C ATOM 1550 CD GLN A 97 2.647 -8.460 0.909 1.00 0.00 C ATOM 1551 OE1 GLN A 97 2.477 -8.344 -0.306 1.00 0.00 O ATOM 1552 NE2 GLN A 97 3.701 -7.935 1.475 1.00 0.00 N ATOM 0 H GLN A 97 0.709 -8.425 5.107 1.00 0.00 H new ATOM 0 HA GLN A 97 0.398 -10.587 3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.008 -8.215 3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.110 -9.536 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.532 -10.241 1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.649 -8.752 1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.841 -8.031 2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.384 -7.429 0.911 1.00 0.00 H new ATOM 1561 N GLY A 98 2.540 -11.118 5.821 1.00 0.00 N ATOM 1562 CA GLY A 98 3.379 -12.127 6.461 1.00 0.00 C ATOM 1563 C GLY A 98 4.841 -11.696 6.486 1.00 0.00 C ATOM 1564 O GLY A 98 5.703 -12.427 6.977 1.00 0.00 O ATOM 0 H GLY A 98 2.370 -10.287 6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.031 -12.300 7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.285 -13.073 5.927 1.00 0.00 H new ATOM 1568 N SER A 99 5.113 -10.506 5.956 1.00 0.00 N ATOM 1569 CA SER A 99 6.474 -9.983 5.921 1.00 0.00 C ATOM 1570 C SER A 99 6.581 -8.707 6.755 1.00 0.00 C ATOM 1571 O SER A 99 5.578 -8.193 7.265 1.00 0.00 O ATOM 1572 CB SER A 99 6.886 -9.690 4.477 1.00 0.00 C ATOM 1573 OG SER A 99 5.726 -9.663 3.654 1.00 0.00 O ATOM 0 H SER A 99 4.412 -9.889 5.547 1.00 0.00 H new ATOM 0 HA SER A 99 7.142 -10.734 6.342 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.407 -8.734 4.422 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.580 -10.452 4.123 1.00 0.00 H new ATOM 0 HG SER A 99 5.986 -9.474 2.728 1.00 0.00 H new ATOM 1579 N LYS A 100 7.808 -8.207 6.890 1.00 0.00 N ATOM 1580 CA LYS A 100 8.054 -6.994 7.660 1.00 0.00 C ATOM 1581 C LYS A 100 8.388 -5.834 6.734 1.00 0.00 C ATOM 1582 O LYS A 100 8.894 -6.033 5.630 1.00 0.00 O ATOM 1583 CB LYS A 100 9.209 -7.212 8.642 1.00 0.00 C ATOM 1584 CG LYS A 100 10.322 -8.003 7.949 1.00 0.00 C ATOM 1585 CD LYS A 100 11.504 -8.179 8.908 1.00 0.00 C ATOM 1586 CE LYS A 100 12.651 -8.887 8.182 1.00 0.00 C ATOM 1587 NZ LYS A 100 13.491 -7.878 7.476 1.00 0.00 N ATOM 0 H LYS A 100 8.643 -8.623 6.477 1.00 0.00 H new ATOM 0 HA LYS A 100 7.148 -6.755 8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.592 -6.252 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.857 -7.752 9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.948 -8.977 7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.646 -7.481 7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.836 -7.208 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.197 -8.760 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.257 -9.445 8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.253 -9.608 7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.856 -8.287 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.916 -7.039 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.288 -7.602 8.085 1.00 0.00 H new ATOM 1601 N ILE A 101 8.098 -4.624 7.195 1.00 0.00 N ATOM 1602 CA ILE A 101 8.368 -3.427 6.412 1.00 0.00 C ATOM 1603 C ILE A 101 9.113 -2.398 7.266 1.00 0.00 C ATOM 1604 O ILE A 101 8.773 -2.183 8.430 1.00 0.00 O ATOM 1605 CB ILE A 101 7.048 -2.847 5.889 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.346 -1.733 4.877 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.231 -2.289 7.056 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.050 -1.265 4.199 1.00 0.00 C ATOM 0 H ILE A 101 7.676 -4.447 8.107 1.00 0.00 H new ATOM 0 HA ILE A 101 8.999 -3.684 5.561 1.00 0.00 H new ATOM 0 HB ILE A 101 6.473 -3.633 5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.824 -0.893 5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.047 -2.094 4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.294 -1.878 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.018 -3.088 7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.798 -1.503 7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.278 -0.475 3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.589 -2.104 3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.362 -0.884 4.953 1.00 0.00 H new ATOM 1620 N PHE A 102 10.143 -1.786 6.684 1.00 0.00 N ATOM 1621 CA PHE A 102 10.941 -0.796 7.402 1.00 0.00 C ATOM 1622 C PHE A 102 10.481 0.609 7.050 1.00 0.00 C ATOM 1623 O PHE A 102 10.448 0.984 5.880 1.00 0.00 O ATOM 1624 CB PHE A 102 12.420 -0.953 7.046 1.00 0.00 C ATOM 1625 CG PHE A 102 12.698 -2.385 6.658 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.536 -2.666 5.573 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.120 -3.432 7.385 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.796 -3.993 5.215 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.379 -4.759 7.027 1.00 0.00 C ATOM 1630 CZ PHE A 102 13.217 -5.041 5.942 1.00 0.00 C ATOM 0 H PHE A 102 10.442 -1.957 5.724 1.00 0.00 H new ATOM 0 HA PHE A 102 10.809 -0.957 8.472 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.679 -0.286 6.224 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.041 -0.669 7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.982 -1.858 5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.474 -3.215 8.223 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.443 -4.210 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.932 -5.566 7.588 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.417 -6.066 5.666 1.00 0.00 H new ATOM 1640 N LEU A 103 10.111 1.378 8.068 1.00 0.00 N ATOM 1641 CA LEU A 103 9.635 2.737 7.850 1.00 0.00 C ATOM 1642 C LEU A 103 10.624 3.757 8.391 1.00 0.00 C ATOM 1643 O LEU A 103 11.172 3.593 9.479 1.00 0.00 O ATOM 1644 CB LEU A 103 8.285 2.929 8.549 1.00 0.00 C ATOM 1645 CG LEU A 103 7.114 2.533 7.634 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.843 3.641 6.624 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.416 1.219 6.906 1.00 0.00 C ATOM 0 H LEU A 103 10.131 1.086 9.045 1.00 0.00 H new ATOM 0 HA LEU A 103 9.527 2.890 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.256 2.329 9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.176 3.971 8.851 1.00 0.00 H new ATOM 0 HG LEU A 103 6.227 2.389 8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.012 3.352 5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.590 4.560 7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.733 3.805 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.575 0.957 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.313 1.338 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.575 0.426 7.637 1.00 0.00 H new ATOM 1659 N LYS A 104 10.844 4.816 7.620 1.00 0.00 N ATOM 1660 CA LYS A 104 11.761 5.859 8.036 1.00 0.00 C ATOM 1661 C LYS A 104 11.318 7.218 7.507 1.00 0.00 C ATOM 1662 O LYS A 104 11.257 7.441 6.297 1.00 0.00 O ATOM 1663 CB LYS A 104 13.165 5.533 7.539 1.00 0.00 C ATOM 1664 CG LYS A 104 14.085 6.722 7.805 1.00 0.00 C ATOM 1665 CD LYS A 104 15.544 6.275 7.698 1.00 0.00 C ATOM 1666 CE LYS A 104 15.848 5.832 6.266 1.00 0.00 C ATOM 1667 NZ LYS A 104 17.321 5.860 6.045 1.00 0.00 N ATOM 0 H LYS A 104 10.403 4.970 6.713 1.00 0.00 H new ATOM 0 HA LYS A 104 11.764 5.906 9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.545 4.645 8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.142 5.308 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.884 7.518 7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.891 7.130 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.206 7.093 7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.734 5.455 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.462 4.827 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.349 6.491 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.532 5.559 5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.676 6.826 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.785 5.214 6.715 1.00 0.00 H new ATOM 1681 N GLU A 105 11.009 8.123 8.433 1.00 0.00 N ATOM 1682 CA GLU A 105 10.571 9.465 8.072 1.00 0.00 C ATOM 1683 C GLU A 105 11.657 10.487 8.395 1.00 0.00 C ATOM 1684 O GLU A 105 12.087 10.614 9.542 1.00 0.00 O ATOM 1685 CB GLU A 105 9.291 9.824 8.829 1.00 0.00 C ATOM 1686 CG GLU A 105 8.637 11.040 8.168 1.00 0.00 C ATOM 1687 CD GLU A 105 8.097 11.988 9.234 1.00 0.00 C ATOM 1688 OE1 GLU A 105 6.897 12.216 9.241 1.00 0.00 O ATOM 1689 OE2 GLU A 105 8.888 12.472 10.025 1.00 0.00 O ATOM 0 H GLU A 105 11.054 7.950 9.437 1.00 0.00 H new ATOM 0 HA GLU A 105 10.374 9.484 7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.603 8.979 8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.521 10.042 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.364 11.559 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.827 10.717 7.514 1.00 0.00 H new ATOM 1696 N VAL A 106 12.095 11.206 7.369 1.00 0.00 N ATOM 1697 CA VAL A 106 13.134 12.216 7.531 1.00 0.00 C ATOM 1698 C VAL A 106 12.755 13.504 6.809 1.00 0.00 C ATOM 1699 O VAL A 106 12.129 13.470 5.750 1.00 0.00 O ATOM 1700 CB VAL A 106 14.457 11.688 6.980 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.415 12.855 6.735 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.072 10.726 7.996 1.00 0.00 C ATOM 0 H VAL A 106 11.747 11.109 6.415 1.00 0.00 H new ATOM 0 HA VAL A 106 13.241 12.434 8.594 1.00 0.00 H new ATOM 0 HB VAL A 106 14.280 11.167 6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.358 12.475 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.973 13.544 6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.598 13.379 7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.017 10.344 7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.249 11.252 8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.389 9.895 8.170 1.00 0.00 H new ATOM 1712 N ASN A 107 13.138 14.636 7.389 1.00 0.00 N ATOM 1713 CA ASN A 107 12.834 15.931 6.791 1.00 0.00 C ATOM 1714 C ASN A 107 11.355 16.015 6.415 1.00 0.00 C ATOM 1715 O ASN A 107 11.002 16.416 5.306 1.00 0.00 O ATOM 1716 CB ASN A 107 13.709 16.144 5.550 1.00 0.00 C ATOM 1717 CG ASN A 107 15.071 16.701 5.960 1.00 0.00 C ATOM 1718 OD1 ASN A 107 15.989 15.891 6.412 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 15.303 17.906 5.865 1.00 0.00 N flip ATOM 0 H ASN A 107 13.656 14.684 8.266 1.00 0.00 H new ATOM 0 HA ASN A 107 13.047 16.714 7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.838 15.201 5.019 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.218 16.832 4.862 1.00 0.00 H new ATOM 0 HD21 ASN A 107 14.584 18.537 5.511 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.214 18.273 6.140 1.00 0.00 H new ATOM 1726 N ASP A 108 10.489 15.638 7.350 1.00 0.00 N ATOM 1727 CA ASP A 108 9.054 15.679 7.101 1.00 0.00 C ATOM 1728 C ASP A 108 8.704 14.882 5.850 1.00 0.00 C ATOM 1729 O ASP A 108 7.649 15.087 5.251 1.00 0.00 O ATOM 1730 CB ASP A 108 8.600 17.127 6.919 1.00 0.00 C ATOM 1731 CG ASP A 108 7.256 17.347 7.606 1.00 0.00 C ATOM 1732 OD1 ASP A 108 6.243 17.106 6.971 1.00 0.00 O ATOM 1733 OD2 ASP A 108 7.261 17.756 8.756 1.00 0.00 O ATOM 0 H ASP A 108 10.752 15.304 8.277 1.00 0.00 H new ATOM 0 HA ASP A 108 8.544 15.238 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 108 9.345 17.805 7.336 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.516 17.359 5.857 1.00 0.00 H new ATOM 1738 N THR A 109 9.595 13.974 5.463 1.00 0.00 N ATOM 1739 CA THR A 109 9.368 13.148 4.284 1.00 0.00 C ATOM 1740 C THR A 109 9.312 11.677 4.671 1.00 0.00 C ATOM 1741 O THR A 109 10.187 11.184 5.383 1.00 0.00 O ATOM 1742 CB THR A 109 10.494 13.347 3.271 1.00 0.00 C ATOM 1743 OG1 THR A 109 10.773 14.735 3.141 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.048 12.780 1.923 1.00 0.00 C ATOM 0 H THR A 109 10.475 13.793 5.946 1.00 0.00 H new ATOM 0 HA THR A 109 8.418 13.447 3.840 1.00 0.00 H new ATOM 0 HB THR A 109 11.395 12.833 3.606 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.207 15.059 3.957 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.843 12.916 1.190 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.830 11.717 2.029 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.152 13.302 1.587 1.00 0.00 H new ATOM 1752 N LEU A 110 8.294 10.973 4.200 1.00 0.00 N ATOM 1753 CA LEU A 110 8.170 9.560 4.517 1.00 0.00 C ATOM 1754 C LEU A 110 9.031 8.729 3.585 1.00 0.00 C ATOM 1755 O LEU A 110 8.765 8.649 2.382 1.00 0.00 O ATOM 1756 CB LEU A 110 6.719 9.109 4.374 1.00 0.00 C ATOM 1757 CG LEU A 110 6.294 8.185 5.534 1.00 0.00 C ATOM 1758 CD1 LEU A 110 5.028 7.436 5.127 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.363 7.139 5.881 1.00 0.00 C ATOM 0 H LEU A 110 7.554 11.349 3.607 1.00 0.00 H new ATOM 0 HA LEU A 110 8.501 9.417 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.067 9.982 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.592 8.586 3.426 1.00 0.00 H new ATOM 0 HG LEU A 110 6.137 8.817 6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.717 6.779 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.234 8.152 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.228 6.841 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.010 6.517 6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.556 6.513 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.283 7.643 6.176 1.00 0.00 H new ATOM 1771 N LEU A 111 10.039 8.079 4.160 1.00 0.00 N ATOM 1772 CA LEU A 111 10.922 7.220 3.387 1.00 0.00 C ATOM 1773 C LEU A 111 10.817 5.788 3.876 1.00 0.00 C ATOM 1774 O LEU A 111 11.364 5.428 4.921 1.00 0.00 O ATOM 1775 CB LEU A 111 12.380 7.684 3.473 1.00 0.00 C ATOM 1776 CG LEU A 111 12.439 9.193 3.218 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.866 9.708 3.238 1.00 0.00 C ATOM 1778 CD2 LEU A 111 11.890 9.482 1.842 1.00 0.00 C ATOM 0 H LEU A 111 10.262 8.132 5.154 1.00 0.00 H new ATOM 0 HA LEU A 111 10.607 7.278 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.792 7.452 4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.988 7.154 2.739 1.00 0.00 H new ATOM 0 HG LEU A 111 11.861 9.681 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.868 10.782 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.312 9.506 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.445 9.206 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.929 10.555 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 111 12.488 8.960 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 111 10.857 9.140 1.783 1.00 0.00 H new ATOM 1790 N VAL A 112 10.120 4.971 3.101 1.00 0.00 N ATOM 1791 CA VAL A 112 9.966 3.562 3.435 1.00 0.00 C ATOM 1792 C VAL A 112 10.984 2.761 2.633 1.00 0.00 C ATOM 1793 O VAL A 112 11.468 3.249 1.618 1.00 0.00 O ATOM 1794 CB VAL A 112 8.549 3.081 3.119 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.099 3.604 1.749 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.524 1.546 3.145 1.00 0.00 C ATOM 0 H VAL A 112 9.654 5.257 2.240 1.00 0.00 H new ATOM 0 HA VAL A 112 10.135 3.421 4.502 1.00 0.00 H new ATOM 0 HB VAL A 112 7.858 3.467 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.089 3.253 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.110 4.694 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.778 3.238 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.517 1.195 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.218 1.158 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.819 1.194 4.133 1.00 0.00 H new ATOM 1806 N ASN A 113 11.320 1.559 3.102 1.00 0.00 N ATOM 1807 CA ASN A 113 12.297 0.712 2.418 1.00 0.00 C ATOM 1808 C ASN A 113 12.079 0.731 0.915 1.00 0.00 C ATOM 1809 O ASN A 113 11.553 -0.227 0.350 1.00 0.00 O ATOM 1810 CB ASN A 113 12.176 -0.732 2.907 1.00 0.00 C ATOM 1811 CG ASN A 113 13.335 -1.570 2.371 1.00 0.00 C ATOM 1812 OD1 ASN A 113 14.302 -0.989 1.713 1.00 0.00 O flip ATOM 1813 ND2 ASN A 113 13.357 -2.788 2.553 1.00 0.00 N flip ATOM 0 H ASN A 113 10.931 1.151 3.952 1.00 0.00 H new ATOM 0 HA ASN A 113 13.289 1.105 2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.174 -0.756 3.997 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.228 -1.157 2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.601 -3.241 3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 113 14.131 -3.344 2.190 1.00 0.00 H new ATOM 1820 N GLU A 114 12.496 1.821 0.282 1.00 0.00 N ATOM 1821 CA GLU A 114 12.352 1.956 -1.155 1.00 0.00 C ATOM 1822 C GLU A 114 12.793 3.328 -1.665 1.00 0.00 C ATOM 1823 O GLU A 114 13.485 3.394 -2.675 1.00 0.00 O ATOM 1824 CB GLU A 114 10.891 1.726 -1.597 1.00 0.00 C ATOM 1825 CG GLU A 114 9.920 2.467 -0.672 1.00 0.00 C ATOM 1826 CD GLU A 114 8.567 2.646 -1.359 1.00 0.00 C ATOM 1827 OE1 GLU A 114 8.430 3.601 -2.104 1.00 0.00 O ATOM 1828 OE2 GLU A 114 7.687 1.832 -1.120 1.00 0.00 O ATOM 0 H GLU A 114 12.934 2.619 0.742 1.00 0.00 H new ATOM 0 HA GLU A 114 13.001 1.194 -1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.758 2.071 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.667 0.659 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.794 1.909 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.332 3.440 -0.405 1.00 0.00 H new ATOM 1835 N LEU A 115 12.351 4.421 -0.999 1.00 0.00 N ATOM 1836 CA LEU A 115 12.651 5.788 -1.446 1.00 0.00 C ATOM 1837 C LEU A 115 11.595 6.736 -0.877 1.00 0.00 C ATOM 1838 O LEU A 115 11.015 6.474 0.176 1.00 0.00 O ATOM 1839 CB LEU A 115 12.649 5.892 -2.991 1.00 0.00 C ATOM 1840 CG LEU A 115 11.357 5.276 -3.578 1.00 0.00 C ATOM 1841 CD1 LEU A 115 10.182 6.250 -3.462 1.00 0.00 C ATOM 1842 CD2 LEU A 115 11.588 4.935 -5.049 1.00 0.00 C ATOM 0 H LEU A 115 11.786 4.375 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 115 13.645 6.058 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 115 12.728 6.937 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 115 13.520 5.377 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 115 11.114 4.375 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.287 5.792 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.009 6.488 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.412 7.164 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.681 4.500 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 115 11.843 5.842 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 115 12.406 4.219 -5.132 1.00 0.00 H new ATOM 1854 N LYS A 116 11.351 7.838 -1.584 1.00 0.00 N ATOM 1855 CA LYS A 116 10.375 8.829 -1.169 1.00 0.00 C ATOM 1856 C LYS A 116 8.969 8.505 -1.653 1.00 0.00 C ATOM 1857 O LYS A 116 8.730 8.333 -2.843 1.00 0.00 O ATOM 1858 CB LYS A 116 10.790 10.186 -1.715 1.00 0.00 C ATOM 1859 CG LYS A 116 12.319 10.303 -1.694 1.00 0.00 C ATOM 1860 CD LYS A 116 12.753 11.711 -1.271 1.00 0.00 C ATOM 1861 CE LYS A 116 12.316 12.748 -2.308 1.00 0.00 C ATOM 1862 NZ LYS A 116 13.320 12.808 -3.407 1.00 0.00 N ATOM 0 H LYS A 116 11.826 8.064 -2.458 1.00 0.00 H new ATOM 0 HA LYS A 116 10.351 8.833 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 116 10.420 10.308 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.346 10.981 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.735 9.567 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.719 10.076 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.319 11.954 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 116 13.836 11.743 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.337 12.486 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.216 13.727 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.022 13.513 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.246 13.078 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 13.394 11.875 -3.861 1.00 0.00 H new ATOM 1876 N SER A 117 8.035 8.446 -0.718 1.00 0.00 N ATOM 1877 CA SER A 117 6.647 8.151 -1.067 1.00 0.00 C ATOM 1878 C SER A 117 6.054 9.265 -1.922 1.00 0.00 C ATOM 1879 O SER A 117 6.521 10.405 -1.889 1.00 0.00 O ATOM 1880 CB SER A 117 5.814 7.975 0.201 1.00 0.00 C ATOM 1881 OG SER A 117 6.155 8.993 1.133 1.00 0.00 O ATOM 0 H SER A 117 8.204 8.596 0.277 1.00 0.00 H new ATOM 0 HA SER A 117 6.630 7.225 -1.642 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.752 8.026 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.996 6.992 0.636 1.00 0.00 H new ATOM 0 HG SER A 117 5.375 9.202 1.689 1.00 0.00 H new ATOM 1887 N LYS A 118 5.019 8.925 -2.683 1.00 0.00 N ATOM 1888 CA LYS A 118 4.360 9.898 -3.545 1.00 0.00 C ATOM 1889 C LYS A 118 3.274 10.635 -2.775 1.00 0.00 C ATOM 1890 O LYS A 118 3.096 11.843 -2.934 1.00 0.00 O ATOM 1891 CB LYS A 118 3.739 9.193 -4.756 1.00 0.00 C ATOM 1892 CG LYS A 118 4.838 8.806 -5.755 1.00 0.00 C ATOM 1893 CD LYS A 118 4.811 9.743 -6.971 1.00 0.00 C ATOM 1894 CE LYS A 118 5.213 11.157 -6.545 1.00 0.00 C ATOM 1895 NZ LYS A 118 5.442 11.992 -7.759 1.00 0.00 N ATOM 0 H LYS A 118 4.620 7.987 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 118 5.104 10.616 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.200 8.303 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.013 9.849 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.813 8.857 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.697 7.775 -6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.493 9.377 -7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 118 3.813 9.755 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.431 11.599 -5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.117 11.123 -5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.715 12.954 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.202 11.572 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.568 12.034 -8.322 1.00 0.00 H new ATOM 1909 N GLU A 119 2.545 9.903 -1.937 1.00 0.00 N ATOM 1910 CA GLU A 119 1.478 10.515 -1.154 1.00 0.00 C ATOM 1911 C GLU A 119 0.952 9.542 -0.106 1.00 0.00 C ATOM 1912 O GLU A 119 0.520 8.440 -0.428 1.00 0.00 O ATOM 1913 CB GLU A 119 0.339 10.950 -2.080 1.00 0.00 C ATOM 1914 CG GLU A 119 -0.737 11.680 -1.275 1.00 0.00 C ATOM 1915 CD GLU A 119 -1.174 12.949 -2.002 1.00 0.00 C ATOM 1916 OE1 GLU A 119 -2.367 13.120 -2.186 1.00 0.00 O ATOM 1917 OE2 GLU A 119 -0.309 13.731 -2.361 1.00 0.00 O ATOM 0 H GLU A 119 2.671 8.902 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 119 1.881 11.389 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.725 11.603 -2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.092 10.079 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.595 11.025 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.352 11.933 -0.287 1.00 0.00 H new ATOM 1924 N SER A 120 0.998 9.950 1.151 1.00 0.00 N ATOM 1925 CA SER A 120 0.529 9.093 2.232 1.00 0.00 C ATOM 1926 C SER A 120 -0.032 9.930 3.372 1.00 0.00 C ATOM 1927 O SER A 120 -0.146 11.149 3.258 1.00 0.00 O ATOM 1928 CB SER A 120 1.689 8.249 2.754 1.00 0.00 C ATOM 1929 OG SER A 120 2.639 9.099 3.379 1.00 0.00 O ATOM 0 H SER A 120 1.351 10.859 1.449 1.00 0.00 H new ATOM 0 HA SER A 120 -0.259 8.446 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.324 7.507 3.464 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.155 7.703 1.934 1.00 0.00 H new ATOM 0 HG SER A 120 3.502 9.017 2.922 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.370 9.269 4.474 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.907 9.962 5.649 1.00 0.00 C ATOM 1937 C ASP A 121 -2.373 10.304 5.451 1.00 0.00 C ATOM 1938 O ASP A 121 -3.048 10.745 6.380 1.00 0.00 O ATOM 1939 CB ASP A 121 -0.118 11.251 5.927 1.00 0.00 C ATOM 1940 CG ASP A 121 -0.911 12.475 5.463 1.00 0.00 C ATOM 1941 OD1 ASP A 121 -0.503 13.087 4.490 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -1.905 12.790 6.095 1.00 0.00 O ATOM 0 H ASP A 121 -0.284 8.258 4.582 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.810 9.290 6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 121 0.095 11.331 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.842 11.215 5.412 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.860 10.094 4.238 1.00 0.00 N ATOM 1948 CA ILE A 122 -4.249 10.382 3.926 1.00 0.00 C ATOM 1949 C ILE A 122 -5.156 9.643 4.897 1.00 0.00 C ATOM 1950 O ILE A 122 -5.206 8.416 4.904 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.590 9.957 2.496 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.315 9.671 1.677 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.404 11.042 1.803 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.472 10.944 1.511 1.00 0.00 C ATOM 0 H ILE A 122 -2.316 9.727 3.457 1.00 0.00 H new ATOM 0 HA ILE A 122 -4.402 11.457 4.017 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.177 9.040 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.724 8.901 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.588 9.281 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.640 10.727 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.329 11.211 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.827 11.966 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.579 10.716 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -3.058 11.703 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -2.181 11.318 2.492 1.00 0.00 H new ATOM 1966 N MET A 123 -5.858 10.406 5.712 1.00 0.00 N ATOM 1967 CA MET A 123 -6.763 9.844 6.706 1.00 0.00 C ATOM 1968 C MET A 123 -8.060 9.386 6.053 1.00 0.00 C ATOM 1969 O MET A 123 -8.779 10.183 5.451 1.00 0.00 O ATOM 1970 CB MET A 123 -7.077 10.886 7.783 1.00 0.00 C ATOM 1971 CG MET A 123 -6.580 10.394 9.142 1.00 0.00 C ATOM 1972 SD MET A 123 -7.511 8.915 9.614 1.00 0.00 S ATOM 1973 CE MET A 123 -6.100 7.813 9.877 1.00 0.00 C ATOM 0 H MET A 123 -5.821 11.425 5.708 1.00 0.00 H new ATOM 0 HA MET A 123 -6.274 8.984 7.164 1.00 0.00 H new ATOM 0 HB2 MET A 123 -6.601 11.835 7.534 1.00 0.00 H new ATOM 0 HB3 MET A 123 -8.151 11.069 7.823 1.00 0.00 H new ATOM 0 HG2 MET A 123 -5.515 10.168 9.093 1.00 0.00 H new ATOM 0 HG3 MET A 123 -6.707 11.174 9.893 1.00 0.00 H new ATOM 0 HE1 MET A 123 -6.416 6.779 9.740 1.00 0.00 H new ATOM 0 HE2 MET A 123 -5.314 8.051 9.160 1.00 0.00 H new ATOM 0 HE3 MET A 123 -5.719 7.945 10.890 1.00 0.00 H new ATOM 1983 N THR A 124 -8.349 8.095 6.183 1.00 0.00 N ATOM 1984 CA THR A 124 -9.565 7.531 5.608 1.00 0.00 C ATOM 1985 C THR A 124 -10.551 7.154 6.704 1.00 0.00 C ATOM 1986 O THR A 124 -10.298 7.376 7.889 1.00 0.00 O ATOM 1987 CB THR A 124 -9.233 6.296 4.776 1.00 0.00 C ATOM 1988 OG1 THR A 124 -8.482 5.381 5.560 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.420 6.712 3.555 1.00 0.00 C ATOM 0 H THR A 124 -7.762 7.424 6.678 1.00 0.00 H new ATOM 0 HA THR A 124 -10.019 8.286 4.967 1.00 0.00 H new ATOM 0 HB THR A 124 -10.157 5.817 4.451 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.439 5.701 6.485 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.182 5.831 2.959 1.00 0.00 H new ATOM 0 HG22 THR A 124 -9.000 7.411 2.953 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.496 7.192 3.879 1.00 0.00 H new ATOM 1997 N THR A 125 -11.678 6.588 6.297 1.00 0.00 N ATOM 1998 CA THR A 125 -12.707 6.184 7.249 1.00 0.00 C ATOM 1999 C THR A 125 -12.446 4.768 7.758 1.00 0.00 C ATOM 2000 O THR A 125 -13.156 4.275 8.634 1.00 0.00 O ATOM 2001 CB THR A 125 -14.087 6.245 6.587 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.184 5.226 5.603 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.289 7.612 5.927 1.00 0.00 C ATOM 0 H THR A 125 -11.904 6.398 5.321 1.00 0.00 H new ATOM 0 HA THR A 125 -12.679 6.871 8.095 1.00 0.00 H new ATOM 0 HB THR A 125 -14.855 6.097 7.346 1.00 0.00 H new ATOM 0 HG1 THR A 125 -15.111 5.158 5.293 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.272 7.648 5.458 1.00 0.00 H new ATOM 0 HG22 THR A 125 -14.218 8.395 6.682 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.520 7.768 5.170 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.428 4.123 7.199 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.080 2.762 7.596 1.00 0.00 C ATOM 2013 C ASN A 126 -9.592 2.663 7.912 1.00 0.00 C ATOM 2014 O ASN A 126 -9.039 1.570 8.043 1.00 0.00 O ATOM 2015 CB ASN A 126 -11.445 1.782 6.482 1.00 0.00 C ATOM 2016 CG ASN A 126 -11.938 2.545 5.253 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -11.271 3.583 4.823 1.00 0.00 O flip ATOM 2018 ND2 ASN A 126 -12.965 2.189 4.675 1.00 0.00 N flip ATOM 0 H ASN A 126 -10.831 4.518 6.472 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.644 2.507 8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.577 1.177 6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -12.218 1.097 6.829 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -13.485 1.379 5.012 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -13.296 2.704 3.859 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.949 3.814 8.043 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.529 3.841 8.365 1.00 0.00 C ATOM 2027 C GLY A 127 -6.803 4.957 7.625 1.00 0.00 C ATOM 2028 O GLY A 127 -7.314 6.070 7.499 1.00 0.00 O ATOM 0 H GLY A 127 -9.381 4.731 7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.402 3.975 9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.080 2.882 8.108 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.605 4.646 7.141 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.800 5.619 6.409 1.00 0.00 C ATOM 2034 C VAL A 128 -4.349 5.032 5.084 1.00 0.00 C ATOM 2035 O VAL A 128 -4.452 3.825 4.861 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.576 6.020 7.236 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.474 4.975 7.059 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -3.052 7.387 6.779 1.00 0.00 C ATOM 0 H VAL A 128 -5.170 3.729 7.242 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.409 6.503 6.220 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.865 6.080 8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.603 5.261 7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.836 4.004 7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.196 4.914 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.181 7.661 7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.770 7.336 5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.832 8.138 6.909 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.856 5.898 4.211 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.398 5.467 2.902 1.00 0.00 C ATOM 2050 C ILE A 129 -1.922 5.790 2.700 1.00 0.00 C ATOM 2051 O ILE A 129 -1.403 6.780 3.237 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.213 6.172 1.816 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.604 5.543 1.714 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.503 6.042 0.467 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.520 6.467 0.910 1.00 0.00 C ATOM 0 H ILE A 129 -3.764 6.899 4.386 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.532 4.387 2.836 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.309 7.225 2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.540 4.567 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -6.016 5.381 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -4.088 6.546 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.516 6.500 0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.399 4.988 0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.512 6.021 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.593 7.433 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.109 6.607 -0.090 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.255 4.956 1.899 1.00 0.00 N ATOM 2068 CA HIS A 130 0.150 5.166 1.599 1.00 0.00 C ATOM 2069 C HIS A 130 0.418 4.884 0.129 1.00 0.00 C ATOM 2070 O HIS A 130 0.351 3.738 -0.315 1.00 0.00 O ATOM 2071 CB HIS A 130 1.009 4.255 2.470 1.00 0.00 C ATOM 2072 CG HIS A 130 2.465 4.621 2.358 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.333 4.437 3.418 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.237 5.099 1.324 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.561 4.789 3.007 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.560 5.200 1.739 1.00 0.00 N ATOM 0 H HIS A 130 -1.667 4.137 1.453 1.00 0.00 H new ATOM 0 HA HIS A 130 0.406 6.204 1.811 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.690 4.332 3.509 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.867 3.217 2.169 1.00 0.00 H new ATOM 0 HD1 HIS A 130 3.085 4.095 4.346 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.871 5.356 0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.443 4.745 3.628 1.00 0.00 H new ATOM 2085 N VAL A 131 0.742 5.944 -0.612 1.00 0.00 N ATOM 2086 CA VAL A 131 1.040 5.827 -2.039 1.00 0.00 C ATOM 2087 C VAL A 131 2.546 5.892 -2.269 1.00 0.00 C ATOM 2088 O VAL A 131 3.193 6.889 -1.934 1.00 0.00 O ATOM 2089 CB VAL A 131 0.367 6.956 -2.827 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.472 6.660 -4.323 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -1.112 7.070 -2.431 1.00 0.00 C ATOM 0 H VAL A 131 0.805 6.894 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 131 0.655 4.868 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 131 0.868 7.897 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.006 7.461 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.522 6.592 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.025 5.715 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.579 7.875 -2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.620 6.131 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.188 7.285 -1.365 1.00 0.00 H new ATOM 2101 N VAL A 132 3.089 4.822 -2.842 1.00 0.00 N ATOM 2102 CA VAL A 132 4.526 4.747 -3.118 1.00 0.00 C ATOM 2103 C VAL A 132 4.783 4.659 -4.618 1.00 0.00 C ATOM 2104 O VAL A 132 3.848 4.605 -5.416 1.00 0.00 O ATOM 2105 CB VAL A 132 5.119 3.520 -2.423 1.00 0.00 C ATOM 2106 CG1 VAL A 132 4.915 3.635 -0.911 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.426 2.252 -2.928 1.00 0.00 C ATOM 0 H VAL A 132 2.561 3.996 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 132 5.001 5.651 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 132 6.185 3.467 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.339 2.759 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.412 4.533 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.849 3.695 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.852 1.381 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.360 2.309 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.572 2.162 -4.004 1.00 0.00 H new ATOM 2117 N ASP A 133 6.061 4.650 -4.992 1.00 0.00 N ATOM 2118 CA ASP A 133 6.441 4.569 -6.399 1.00 0.00 C ATOM 2119 C ASP A 133 7.314 3.342 -6.648 1.00 0.00 C ATOM 2120 O ASP A 133 8.222 3.370 -7.480 1.00 0.00 O ATOM 2121 CB ASP A 133 7.201 5.829 -6.807 1.00 0.00 C ATOM 2122 CG ASP A 133 7.160 5.998 -8.322 1.00 0.00 C ATOM 2123 OD1 ASP A 133 7.345 5.010 -9.013 1.00 0.00 O ATOM 2124 OD2 ASP A 133 6.943 7.113 -8.768 1.00 0.00 O ATOM 0 H ASP A 133 6.847 4.698 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 133 5.534 4.483 -6.997 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.761 6.701 -6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 133 8.235 5.765 -6.468 1.00 0.00 H new ATOM 2129 N LYS A 134 7.032 2.263 -5.924 1.00 0.00 N ATOM 2130 CA LYS A 134 7.793 1.028 -6.073 1.00 0.00 C ATOM 2131 C LYS A 134 7.135 -0.098 -5.283 1.00 0.00 C ATOM 2132 O LYS A 134 6.675 0.106 -4.160 1.00 0.00 O ATOM 2133 CB LYS A 134 9.225 1.238 -5.588 1.00 0.00 C ATOM 2134 CG LYS A 134 9.855 -0.112 -5.248 1.00 0.00 C ATOM 2135 CD LYS A 134 11.373 0.031 -5.199 1.00 0.00 C ATOM 2136 CE LYS A 134 11.939 -0.988 -4.212 1.00 0.00 C ATOM 2137 NZ LYS A 134 13.366 -1.257 -4.539 1.00 0.00 N ATOM 0 H LYS A 134 6.285 2.219 -5.231 1.00 0.00 H new ATOM 0 HA LYS A 134 7.810 0.752 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.810 1.740 -6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.231 1.885 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.482 -0.468 -4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 134 9.573 -0.855 -5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.798 -0.129 -6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.646 1.041 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.853 -0.610 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.364 -1.913 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.751 -1.951 -3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.435 -1.635 -5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.910 -0.373 -4.474 1.00 0.00 H new ATOM 2151 N LEU A 135 7.095 -1.288 -5.874 1.00 0.00 N ATOM 2152 CA LEU A 135 6.492 -2.437 -5.210 1.00 0.00 C ATOM 2153 C LEU A 135 7.469 -3.033 -4.205 1.00 0.00 C ATOM 2154 O LEU A 135 8.674 -3.098 -4.460 1.00 0.00 O ATOM 2155 CB LEU A 135 6.106 -3.502 -6.246 1.00 0.00 C ATOM 2156 CG LEU A 135 5.281 -4.617 -5.581 1.00 0.00 C ATOM 2157 CD1 LEU A 135 3.836 -4.159 -5.345 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.272 -5.846 -6.491 1.00 0.00 C ATOM 0 H LEU A 135 7.469 -1.481 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 135 5.596 -2.106 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.531 -3.045 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.004 -3.924 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 135 5.734 -4.859 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.272 -4.964 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.833 -3.285 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.375 -3.903 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.689 -6.640 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.827 -5.585 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.294 -6.191 -6.647 1.00 0.00 H new ATOM 2170 N LEU A 136 6.946 -3.471 -3.064 1.00 0.00 N ATOM 2171 CA LEU A 136 7.794 -4.063 -2.038 1.00 0.00 C ATOM 2172 C LEU A 136 7.717 -5.585 -2.101 1.00 0.00 C ATOM 2173 O LEU A 136 6.714 -6.181 -1.714 1.00 0.00 O ATOM 2174 CB LEU A 136 7.358 -3.577 -0.652 1.00 0.00 C ATOM 2175 CG LEU A 136 7.424 -2.046 -0.594 1.00 0.00 C ATOM 2176 CD1 LEU A 136 6.959 -1.566 0.781 1.00 0.00 C ATOM 2177 CD2 LEU A 136 8.863 -1.576 -0.831 1.00 0.00 C ATOM 0 H LEU A 136 5.954 -3.428 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 136 8.824 -3.755 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.343 -3.915 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.003 -4.007 0.114 1.00 0.00 H new ATOM 0 HG LEU A 136 6.776 -1.633 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 136 7.006 -0.478 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.933 -1.891 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.606 -1.986 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.902 -0.488 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.513 -1.993 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 136 9.199 -1.913 -1.812 1.00 0.00 H new ATOM 2189 N TYR A 137 8.783 -6.208 -2.600 1.00 0.00 N ATOM 2190 CA TYR A 137 8.819 -7.658 -2.714 1.00 0.00 C ATOM 2191 C TYR A 137 8.846 -8.307 -1.328 1.00 0.00 C ATOM 2192 O TYR A 137 9.309 -7.694 -0.362 1.00 0.00 O ATOM 2193 CB TYR A 137 10.070 -8.064 -3.498 1.00 0.00 C ATOM 2194 CG TYR A 137 9.790 -7.937 -4.973 1.00 0.00 C ATOM 2195 CD1 TYR A 137 9.759 -6.671 -5.569 1.00 0.00 C ATOM 2196 CD2 TYR A 137 9.560 -9.080 -5.742 1.00 0.00 C ATOM 2197 CE1 TYR A 137 9.497 -6.550 -6.938 1.00 0.00 C ATOM 2198 CE2 TYR A 137 9.298 -8.960 -7.113 1.00 0.00 C ATOM 2199 CZ TYR A 137 9.266 -7.694 -7.710 1.00 0.00 C ATOM 2200 OH TYR A 137 9.009 -7.574 -9.060 1.00 0.00 O ATOM 0 H TYR A 137 9.624 -5.734 -2.928 1.00 0.00 H new ATOM 0 HA TYR A 137 7.924 -7.998 -3.235 1.00 0.00 H new ATOM 0 HB2 TYR A 137 10.911 -7.429 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 137 10.350 -9.089 -3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 137 9.937 -5.788 -4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 137 9.584 -10.056 -5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 137 9.473 -5.574 -7.399 1.00 0.00 H new ATOM 0 HE2 TYR A 137 9.121 -9.843 -7.709 1.00 0.00 H new ATOM 0 HH TYR A 137 9.589 -8.186 -9.559 1.00 0.00 H new ATOM 2210 N PRO A 138 8.376 -9.530 -1.205 1.00 0.00 N ATOM 2211 CA PRO A 138 8.370 -10.257 0.099 1.00 0.00 C ATOM 2212 C PRO A 138 9.772 -10.696 0.526 1.00 0.00 C ATOM 2213 O PRO A 138 10.771 -10.210 -0.002 1.00 0.00 O ATOM 2214 CB PRO A 138 7.473 -11.469 -0.164 1.00 0.00 C ATOM 2215 CG PRO A 138 7.574 -11.716 -1.632 1.00 0.00 C ATOM 2216 CD PRO A 138 7.789 -10.350 -2.287 1.00 0.00 C ATOM 0 HA PRO A 138 8.014 -9.627 0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 138 7.806 -12.337 0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 138 6.443 -11.269 0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 138 8.402 -12.389 -1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 138 6.667 -12.189 -2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.458 -10.418 -3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 138 6.851 -9.926 -2.647 1.00 0.00 H new ATOM 2224 N ALA A 139 9.834 -11.617 1.483 1.00 0.00 N ATOM 2225 CA ALA A 139 11.112 -12.118 1.975 1.00 0.00 C ATOM 2226 C ALA A 139 11.395 -13.509 1.416 1.00 0.00 C ATOM 2227 O ALA A 139 10.474 -14.251 1.075 1.00 0.00 O ATOM 2228 CB ALA A 139 11.093 -12.177 3.504 1.00 0.00 C ATOM 0 H ALA A 139 9.017 -12.030 1.932 1.00 0.00 H new ATOM 0 HA ALA A 139 11.899 -11.439 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 139 12.050 -12.552 3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 139 10.920 -11.178 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 139 10.295 -12.843 3.833 1.00 0.00 H new ATOM 2234 N ASP A 140 12.675 -13.856 1.328 1.00 0.00 N ATOM 2235 CA ASP A 140 13.067 -15.162 0.812 1.00 0.00 C ATOM 2236 C ASP A 140 12.167 -16.257 1.379 1.00 0.00 C ATOM 2237 O ASP A 140 11.638 -16.130 2.484 1.00 0.00 O ATOM 2238 CB ASP A 140 14.523 -15.452 1.184 1.00 0.00 C ATOM 2239 CG ASP A 140 14.996 -14.466 2.246 1.00 0.00 C ATOM 2240 OD1 ASP A 140 14.326 -14.350 3.259 1.00 0.00 O ATOM 2241 OD2 ASP A 140 16.020 -13.841 2.030 1.00 0.00 O ATOM 0 H ASP A 140 13.452 -13.257 1.605 1.00 0.00 H new ATOM 0 HA ASP A 140 12.963 -15.150 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 140 14.616 -16.472 1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 140 15.155 -15.377 0.299 1.00 0.00 H new TER 2246 ASP A 140