USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 765 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 93 SER OG : rot 1:sc= 0.987 USER MOD Set 1.2: A 117 HIS : no HE2:sc= 0.55 K(o=1.5,f=-3.7!) USER MOD Set 2.1: A 114 SER OG : rot -91:sc= 1.02 USER MOD Set 2.2: A 118 TYR OH : rot 15:sc= 0.33 USER MOD Set 3.1: A 25 TYR OH : rot 91:sc= 0.708 USER MOD Set 3.2: A 28 SER OG : rot 32:sc= 0.249 USER MOD Set 3.3: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 120 HIS : no HD1:sc= 0.615 K(o=1.6,f=-3.5!) USER MOD Set 4.1: A 37 THR OG1 : rot 15:sc= 0.715 USER MOD Set 4.2: A 40 THR OG1 : rot 7:sc= 0.164 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot -17:sc= -0.316 USER MOD Single : A 19 CYS SG : rot -119:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 100:sc= -0.782 USER MOD Single : A 22 LYS NZ :NH3+ -169:sc=-0.00191 (180deg=-0.0985) USER MOD Single : A 29 MET CE :methyl -170:sc= -1.16 (180deg=-1.38) USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= -0.0459 (180deg=-0.257) USER MOD Single : A 39 SER OG : rot -110:sc= -0.171 USER MOD Single : A 41 GLN : amide:sc= -0.855 K(o=-0.85,f=-1.6) USER MOD Single : A 44 CYS SG : rot 81:sc= 1.18 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 151:sc= -4.07! (180deg=-8.64!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 51 CYS SG : rot -160:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.835 F(o=-2.1!,f=-0.83) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -137:sc= -3.98 (180deg=-6.65!) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.112) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= -0.0289 (180deg=-0.189) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -87:sc= 1.26 USER MOD Single : A 69 SER OG : rot 63:sc= 1.25 USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0.889) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.924 K(o=-0.92,f=-3.4!) USER MOD Single : A 81 LYS NZ :NH3+ 168:sc=-0.00561 (180deg=-0.155) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 87 HIS : no HD1:sc=-0.00393 X(o=-0.0039,f=-0.0039) USER MOD Single : A 91 ASN : amide:sc= -0.0853 K(o=-0.085,f=-1.6) USER MOD Single : A 94 CYS SG : rot 179:sc= 1.09 USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 103 SER OG : rot -86:sc= 0.799 USER MOD Single : A 104 THR OG1 : rot 76:sc= 2.1 USER MOD Single : A 107 TYR OH : rot 77:sc= 1.34 USER MOD Single : A 110 LYS NZ :NH3+ 168:sc= -0.0154 (180deg=-0.155) USER MOD Single : A 113 LYS NZ :NH3+ -166:sc= -0.0522 (180deg=-0.307) USER MOD Single : A 115 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.4) USER MOD Single : A 116 HIS :FLIP no HE2:sc= -0.0209 F(o=-0.53,f=-0.021) USER MOD Single : A 119 CYS SG : rot -55:sc= -1.87! USER MOD Single : A 123 THR OG1 : rot -170:sc= -0.772 USER MOD Single : A 128 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 136 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 139 GLN : amide:sc= -0.835 K(o=-0.83,f=-1.8) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 12 -21.174 -2.995 -5.046 1.00 0.00 N ATOM 2 CA GLU A 12 -21.289 -1.568 -4.668 1.00 0.00 C ATOM 3 C GLU A 12 -20.202 -1.195 -3.662 1.00 0.00 C ATOM 4 O GLU A 12 -19.424 -2.054 -3.232 1.00 0.00 O ATOM 5 CB GLU A 12 -22.683 -1.268 -4.071 1.00 0.00 C ATOM 6 CG GLU A 12 -22.931 -1.864 -2.678 1.00 0.00 C ATOM 7 CD GLU A 12 -22.965 -3.378 -2.672 1.00 0.00 C ATOM 8 OE1 GLU A 12 -21.883 -4.005 -2.600 1.00 0.00 O ATOM 9 OE2 GLU A 12 -24.062 -3.949 -2.744 1.00 0.00 O ATOM 0 HA GLU A 12 -21.161 -0.968 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -22.814 -0.187 -4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -23.444 -1.647 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -22.149 -1.522 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -23.877 -1.485 -2.291 1.00 0.00 H new ATOM 11 N LYS A 13 -20.147 0.081 -3.301 1.00 0.00 N ATOM 12 CA LYS A 13 -19.185 0.557 -2.329 1.00 0.00 C ATOM 13 C LYS A 13 -19.627 1.907 -1.768 1.00 0.00 C ATOM 14 O LYS A 13 -19.996 2.809 -2.519 1.00 0.00 O ATOM 15 CB LYS A 13 -17.766 0.631 -2.947 1.00 0.00 C ATOM 16 CG LYS A 13 -17.603 1.630 -4.088 1.00 0.00 C ATOM 17 CD LYS A 13 -16.887 2.887 -3.616 1.00 0.00 C ATOM 18 CE LYS A 13 -16.628 3.856 -4.760 1.00 0.00 C ATOM 19 NZ LYS A 13 -17.879 4.476 -5.270 1.00 0.00 N ATOM 0 H LYS A 13 -20.763 0.804 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 13 -19.140 -0.152 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -17.057 0.886 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.494 -0.360 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.040 1.170 -4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.582 1.894 -4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.486 3.381 -2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.940 2.613 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.949 4.639 -4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.129 3.329 -5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.651 5.128 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.518 3.733 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.344 5.002 -4.503 1.00 0.00 H new ATOM 22 N LEU A 14 -19.619 2.020 -0.452 1.00 0.00 N ATOM 23 CA LEU A 14 -20.030 3.239 0.236 1.00 0.00 C ATOM 24 C LEU A 14 -19.103 3.496 1.413 1.00 0.00 C ATOM 25 O LEU A 14 -18.570 2.543 2.004 1.00 0.00 O ATOM 26 CB LEU A 14 -21.478 3.116 0.741 1.00 0.00 C ATOM 27 CG LEU A 14 -22.560 2.949 -0.334 1.00 0.00 C ATOM 28 CD1 LEU A 14 -23.921 2.739 0.309 1.00 0.00 C ATOM 29 CD2 LEU A 14 -22.591 4.159 -1.257 1.00 0.00 C ATOM 0 H LEU A 14 -19.327 1.270 0.174 1.00 0.00 H new ATOM 0 HA LEU A 14 -19.975 4.070 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.533 2.263 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.713 4.004 1.328 1.00 0.00 H new ATOM 0 HG LEU A 14 -22.318 2.068 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -24.676 2.622 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -23.896 1.842 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -24.168 3.601 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -23.365 4.021 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -22.808 5.055 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.623 4.269 -1.746 1.00 0.00 H new ATOM 41 N ILE A 15 -18.903 4.771 1.758 1.00 0.00 N ATOM 42 CA ILE A 15 -18.026 5.138 2.867 1.00 0.00 C ATOM 43 C ILE A 15 -18.610 4.645 4.186 1.00 0.00 C ATOM 44 O ILE A 15 -19.388 5.345 4.848 1.00 0.00 O ATOM 45 CB ILE A 15 -17.768 6.665 2.936 1.00 0.00 C ATOM 46 CG1 ILE A 15 -17.236 7.173 1.588 1.00 0.00 C ATOM 47 CG2 ILE A 15 -16.774 6.988 4.053 1.00 0.00 C ATOM 48 CD1 ILE A 15 -17.046 8.674 1.527 1.00 0.00 C ATOM 0 H ILE A 15 -19.337 5.563 1.285 1.00 0.00 H new ATOM 0 HA ILE A 15 -17.065 4.655 2.690 1.00 0.00 H new ATOM 0 HB ILE A 15 -18.710 7.168 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.283 6.688 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -17.926 6.872 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -16.603 8.064 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -17.179 6.653 5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.831 6.477 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -16.668 8.953 0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -18.001 9.169 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.332 8.982 2.291 1.00 0.00 H new ATOM 59 N ALA A 16 -18.243 3.422 4.520 1.00 0.00 N ATOM 60 CA ALA A 16 -18.700 2.705 5.703 1.00 0.00 C ATOM 61 C ALA A 16 -18.185 1.289 5.613 1.00 0.00 C ATOM 62 O ALA A 16 -17.650 0.733 6.570 1.00 0.00 O ATOM 63 CB ALA A 16 -20.226 2.687 5.778 1.00 0.00 C ATOM 0 H ALA A 16 -17.593 2.876 3.954 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.326 3.203 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.540 2.146 6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.600 3.710 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.628 2.193 4.894 1.00 0.00 H new ATOM 69 N GLN A 17 -18.344 0.717 4.428 1.00 0.00 N ATOM 70 CA GLN A 17 -17.863 -0.622 4.142 1.00 0.00 C ATOM 71 C GLN A 17 -16.630 -0.536 3.266 1.00 0.00 C ATOM 72 O GLN A 17 -15.858 -1.489 3.143 1.00 0.00 O ATOM 73 CB GLN A 17 -18.945 -1.447 3.442 1.00 0.00 C ATOM 74 CG GLN A 17 -20.260 -1.516 4.200 1.00 0.00 C ATOM 75 CD GLN A 17 -21.286 -2.378 3.498 1.00 0.00 C ATOM 76 OE1 GLN A 17 -22.055 -1.899 2.667 1.00 0.00 O ATOM 77 NE2 GLN A 17 -21.304 -3.652 3.824 1.00 0.00 N ATOM 0 H GLN A 17 -18.809 1.169 3.641 1.00 0.00 H new ATOM 0 HA GLN A 17 -17.611 -1.115 5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -19.129 -1.023 2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -18.573 -2.460 3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -20.080 -1.912 5.199 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -20.659 -0.509 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -20.649 -4.010 4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -21.973 -4.282 3.382 1.00 0.00 H new ATOM 86 N SER A 18 -16.466 0.609 2.651 1.00 0.00 N ATOM 87 CA SER A 18 -15.331 0.879 1.803 1.00 0.00 C ATOM 88 C SER A 18 -14.830 2.292 2.047 1.00 0.00 C ATOM 89 O SER A 18 -15.618 3.192 2.353 1.00 0.00 O ATOM 90 CB SER A 18 -15.720 0.702 0.332 1.00 0.00 C ATOM 91 OG SER A 18 -16.831 1.514 -0.002 1.00 0.00 O ATOM 0 H SER A 18 -17.122 1.387 2.725 1.00 0.00 H new ATOM 0 HA SER A 18 -14.533 0.175 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.873 0.959 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 18 -15.959 -0.344 0.139 1.00 0.00 H new ATOM 0 HG SER A 18 -17.280 1.808 0.818 1.00 0.00 H new ATOM 97 N CYS A 19 -13.537 2.483 1.938 1.00 0.00 N ATOM 98 CA CYS A 19 -12.954 3.792 2.116 1.00 0.00 C ATOM 99 C CYS A 19 -12.264 4.226 0.832 1.00 0.00 C ATOM 100 O CYS A 19 -11.504 3.454 0.238 1.00 0.00 O ATOM 101 CB CYS A 19 -11.965 3.784 3.284 1.00 0.00 C ATOM 102 SG CYS A 19 -11.342 5.418 3.743 1.00 0.00 S ATOM 0 H CYS A 19 -12.866 1.745 1.726 1.00 0.00 H new ATOM 0 HA CYS A 19 -13.746 4.504 2.348 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -12.449 3.336 4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -11.120 3.146 3.025 1.00 0.00 H new ATOM 0 HG CYS A 19 -10.052 5.450 3.587 1.00 0.00 H new ATOM 108 N ASP A 20 -12.551 5.445 0.397 1.00 0.00 N ATOM 109 CA ASP A 20 -11.967 5.989 -0.825 1.00 0.00 C ATOM 110 C ASP A 20 -10.927 7.040 -0.502 1.00 0.00 C ATOM 111 O ASP A 20 -11.183 7.965 0.279 1.00 0.00 O ATOM 112 CB ASP A 20 -13.039 6.614 -1.729 1.00 0.00 C ATOM 113 CG ASP A 20 -13.944 5.597 -2.387 1.00 0.00 C ATOM 114 OD1 ASP A 20 -13.522 4.973 -3.377 1.00 0.00 O ATOM 115 OD2 ASP A 20 -15.094 5.443 -1.936 1.00 0.00 O ATOM 0 H ASP A 20 -13.189 6.081 0.875 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.498 5.158 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.646 7.300 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.550 7.207 -2.502 1.00 0.00 H new ATOM 118 N TYR A 21 -9.766 6.903 -1.095 1.00 0.00 N ATOM 119 CA TYR A 21 -8.689 7.867 -0.929 1.00 0.00 C ATOM 120 C TYR A 21 -8.032 8.157 -2.260 1.00 0.00 C ATOM 121 O TYR A 21 -8.123 7.364 -3.179 1.00 0.00 O ATOM 122 CB TYR A 21 -7.626 7.342 0.035 1.00 0.00 C ATOM 123 CG TYR A 21 -7.967 7.485 1.496 1.00 0.00 C ATOM 124 CD1 TYR A 21 -8.337 8.714 2.025 1.00 0.00 C ATOM 125 CD2 TYR A 21 -7.889 6.399 2.352 1.00 0.00 C ATOM 126 CE1 TYR A 21 -8.626 8.855 3.364 1.00 0.00 C ATOM 127 CE2 TYR A 21 -8.170 6.533 3.697 1.00 0.00 C ATOM 128 CZ TYR A 21 -8.539 7.764 4.195 1.00 0.00 C ATOM 129 OH TYR A 21 -8.813 7.904 5.534 1.00 0.00 O ATOM 0 H TYR A 21 -9.534 6.122 -1.708 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.126 8.779 -0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.450 6.288 -0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.691 7.867 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.399 9.574 1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.604 5.433 1.962 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.919 9.817 3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.101 5.679 4.354 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.724 7.591 5.716 1.00 0.00 H new ATOM 135 N LYS A 22 -7.383 9.294 -2.369 1.00 0.00 N ATOM 136 CA LYS A 22 -6.638 9.613 -3.568 1.00 0.00 C ATOM 137 C LYS A 22 -5.150 9.529 -3.278 1.00 0.00 C ATOM 138 O LYS A 22 -4.593 10.382 -2.589 1.00 0.00 O ATOM 139 CB LYS A 22 -6.997 11.002 -4.111 1.00 0.00 C ATOM 140 CG LYS A 22 -8.468 11.168 -4.473 1.00 0.00 C ATOM 141 CD LYS A 22 -8.737 12.523 -5.114 1.00 0.00 C ATOM 142 CE LYS A 22 -8.525 13.674 -4.135 1.00 0.00 C ATOM 143 NZ LYS A 22 -9.528 13.668 -3.038 1.00 0.00 N ATOM 0 H LYS A 22 -7.355 10.012 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.905 8.887 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.731 11.752 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.392 11.202 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.767 10.375 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.078 11.061 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.080 12.653 -5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.760 12.550 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.523 13.608 -3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.582 14.621 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.467 14.560 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.482 13.569 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.338 12.870 -2.398 1.00 0.00 H new ATOM 146 N ALA A 23 -4.521 8.492 -3.776 1.00 0.00 N ATOM 147 CA ALA A 23 -3.103 8.288 -3.580 1.00 0.00 C ATOM 148 C ALA A 23 -2.376 8.502 -4.889 1.00 0.00 C ATOM 149 O ALA A 23 -3.002 8.601 -5.930 1.00 0.00 O ATOM 150 CB ALA A 23 -2.843 6.885 -3.048 1.00 0.00 C ATOM 0 H ALA A 23 -4.976 7.765 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.733 9.006 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.772 6.743 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.357 6.756 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.214 6.150 -3.763 1.00 0.00 H new ATOM 156 N ALA A 24 -1.075 8.589 -4.844 1.00 0.00 N ATOM 157 CA ALA A 24 -0.305 8.772 -6.051 1.00 0.00 C ATOM 158 C ALA A 24 0.417 7.475 -6.412 1.00 0.00 C ATOM 159 O ALA A 24 1.199 6.954 -5.615 1.00 0.00 O ATOM 160 CB ALA A 24 0.668 9.927 -5.881 1.00 0.00 C ATOM 0 H ALA A 24 -0.523 8.537 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.975 9.021 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.244 10.056 -6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.114 10.841 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.345 9.713 -5.054 1.00 0.00 H new ATOM 166 N TYR A 25 0.138 6.948 -7.606 1.00 0.00 N ATOM 167 CA TYR A 25 0.730 5.683 -8.049 1.00 0.00 C ATOM 168 C TYR A 25 2.227 5.860 -8.287 1.00 0.00 C ATOM 169 O TYR A 25 2.636 6.407 -9.311 1.00 0.00 O ATOM 170 CB TYR A 25 0.039 5.171 -9.342 1.00 0.00 C ATOM 171 CG TYR A 25 0.174 3.662 -9.579 1.00 0.00 C ATOM 172 CD1 TYR A 25 1.401 3.015 -9.435 1.00 0.00 C ATOM 173 CD2 TYR A 25 -0.937 2.881 -9.922 1.00 0.00 C ATOM 174 CE1 TYR A 25 1.521 1.649 -9.625 1.00 0.00 C ATOM 175 CE2 TYR A 25 -0.821 1.513 -10.106 1.00 0.00 C ATOM 176 CZ TYR A 25 0.409 0.903 -9.957 1.00 0.00 C ATOM 177 OH TYR A 25 0.522 -0.464 -10.127 1.00 0.00 O ATOM 0 H TYR A 25 -0.493 7.377 -8.283 1.00 0.00 H new ATOM 0 HA TYR A 25 0.579 4.941 -7.265 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.020 5.426 -9.299 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.459 5.700 -10.198 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.275 3.591 -9.170 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.900 3.353 -10.045 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.482 1.169 -9.514 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.689 0.926 -10.365 1.00 0.00 H new ATOM 0 HH TYR A 25 0.358 -0.915 -9.272 1.00 0.00 H new ATOM 183 N LEU A 26 3.036 5.407 -7.336 1.00 0.00 N ATOM 184 CA LEU A 26 4.474 5.545 -7.448 1.00 0.00 C ATOM 185 C LEU A 26 5.070 4.404 -8.261 1.00 0.00 C ATOM 186 O LEU A 26 5.754 4.643 -9.258 1.00 0.00 O ATOM 187 CB LEU A 26 5.139 5.632 -6.065 1.00 0.00 C ATOM 188 CG LEU A 26 6.634 5.992 -6.071 1.00 0.00 C ATOM 189 CD1 LEU A 26 6.856 7.361 -6.701 1.00 0.00 C ATOM 190 CD2 LEU A 26 7.204 5.965 -4.659 1.00 0.00 C ATOM 0 H LEU A 26 2.718 4.944 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 26 4.674 6.479 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.607 6.375 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.016 4.673 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 26 7.156 5.245 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.920 7.596 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.492 7.352 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.315 8.116 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.263 6.223 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.672 6.686 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.086 4.967 -4.238 1.00 0.00 H new ATOM 202 N GLY A 27 4.807 3.166 -7.857 1.00 0.00 N ATOM 203 CA GLY A 27 5.348 2.049 -8.601 1.00 0.00 C ATOM 204 C GLY A 27 4.837 0.702 -8.146 1.00 0.00 C ATOM 205 O GLY A 27 4.238 0.576 -7.076 1.00 0.00 O ATOM 0 H GLY A 27 4.241 2.921 -7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.109 2.179 -9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.435 2.061 -8.516 1.00 0.00 H new ATOM 209 N SER A 28 5.058 -0.298 -8.970 1.00 0.00 N ATOM 210 CA SER A 28 4.701 -1.658 -8.651 1.00 0.00 C ATOM 211 C SER A 28 5.880 -2.576 -8.960 1.00 0.00 C ATOM 212 O SER A 28 6.247 -2.768 -10.121 1.00 0.00 O ATOM 213 CB SER A 28 3.447 -2.084 -9.425 1.00 0.00 C ATOM 214 OG SER A 28 3.588 -1.853 -10.820 1.00 0.00 O ATOM 0 H SER A 28 5.493 -0.187 -9.886 1.00 0.00 H new ATOM 0 HA SER A 28 4.469 -1.731 -7.589 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.252 -3.142 -9.249 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.584 -1.534 -9.050 1.00 0.00 H new ATOM 0 HG SER A 28 4.528 -1.957 -11.075 1.00 0.00 H new ATOM 220 N MET A 29 6.487 -3.112 -7.923 1.00 0.00 N ATOM 221 CA MET A 29 7.665 -3.950 -8.085 1.00 0.00 C ATOM 222 C MET A 29 7.333 -5.411 -7.917 1.00 0.00 C ATOM 223 O MET A 29 6.538 -5.786 -7.052 1.00 0.00 O ATOM 224 CB MET A 29 8.762 -3.542 -7.090 1.00 0.00 C ATOM 225 CG MET A 29 9.724 -2.474 -7.609 1.00 0.00 C ATOM 226 SD MET A 29 8.894 -0.972 -8.182 1.00 0.00 S ATOM 227 CE MET A 29 8.078 -0.428 -6.685 1.00 0.00 C ATOM 0 H MET A 29 6.187 -2.985 -6.956 1.00 0.00 H new ATOM 0 HA MET A 29 8.033 -3.801 -9.100 1.00 0.00 H new ATOM 0 HB2 MET A 29 8.290 -3.175 -6.179 1.00 0.00 H new ATOM 0 HB3 MET A 29 9.336 -4.428 -6.818 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.425 -2.212 -6.817 1.00 0.00 H new ATOM 0 HG3 MET A 29 10.310 -2.891 -8.428 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.387 0.382 -6.921 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.526 -1.260 -6.248 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.823 -0.073 -5.973 1.00 0.00 H new ATOM 237 N LEU A 30 7.933 -6.232 -8.753 1.00 0.00 N ATOM 238 CA LEU A 30 7.752 -7.662 -8.680 1.00 0.00 C ATOM 239 C LEU A 30 8.715 -8.238 -7.670 1.00 0.00 C ATOM 240 O LEU A 30 9.924 -8.003 -7.744 1.00 0.00 O ATOM 241 CB LEU A 30 7.950 -8.299 -10.085 1.00 0.00 C ATOM 242 CG LEU A 30 7.874 -9.846 -10.200 1.00 0.00 C ATOM 243 CD1 LEU A 30 9.186 -10.508 -9.793 1.00 0.00 C ATOM 244 CD2 LEU A 30 6.723 -10.402 -9.374 1.00 0.00 C ATOM 0 H LEU A 30 8.557 -5.926 -9.499 1.00 0.00 H new ATOM 0 HA LEU A 30 6.737 -7.890 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.198 -7.877 -10.752 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.923 -7.983 -10.461 1.00 0.00 H new ATOM 0 HG LEU A 30 7.692 -10.079 -11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.092 -11.590 -9.887 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.988 -10.155 -10.442 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.417 -10.253 -8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.694 -11.487 -9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.866 -10.138 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.783 -9.980 -9.730 1.00 0.00 H new ATOM 256 N ILE A 31 8.183 -8.968 -6.720 1.00 0.00 N ATOM 257 CA ILE A 31 8.998 -9.577 -5.713 1.00 0.00 C ATOM 258 C ILE A 31 9.123 -11.064 -5.991 1.00 0.00 C ATOM 259 O ILE A 31 8.114 -11.781 -6.075 1.00 0.00 O ATOM 260 CB ILE A 31 8.428 -9.360 -4.290 1.00 0.00 C ATOM 261 CG1 ILE A 31 7.958 -7.905 -4.096 1.00 0.00 C ATOM 262 CG2 ILE A 31 9.478 -9.719 -3.251 1.00 0.00 C ATOM 263 CD1 ILE A 31 9.019 -6.859 -4.393 1.00 0.00 C ATOM 0 H ILE A 31 7.184 -9.152 -6.628 1.00 0.00 H new ATOM 0 HA ILE A 31 9.978 -9.102 -5.750 1.00 0.00 H new ATOM 0 HB ILE A 31 7.563 -10.011 -4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.097 -7.725 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.619 -7.779 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.070 -9.564 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.763 -10.765 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.355 -9.086 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.604 -5.864 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.872 -7.008 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.343 -6.953 -5.430 1.00 0.00 H new ATOM 274 N LYS A 32 10.350 -11.517 -6.161 1.00 0.00 N ATOM 275 CA LYS A 32 10.622 -12.913 -6.445 1.00 0.00 C ATOM 276 C LYS A 32 10.200 -13.775 -5.267 1.00 0.00 C ATOM 277 O LYS A 32 9.403 -14.706 -5.412 1.00 0.00 O ATOM 278 CB LYS A 32 12.109 -13.103 -6.738 1.00 0.00 C ATOM 279 CG LYS A 32 12.614 -12.250 -7.895 1.00 0.00 C ATOM 280 CD LYS A 32 14.100 -12.463 -8.152 1.00 0.00 C ATOM 281 CE LYS A 32 14.400 -13.887 -8.596 1.00 0.00 C ATOM 282 NZ LYS A 32 13.653 -14.257 -9.826 1.00 0.00 N ATOM 0 H LYS A 32 11.183 -10.931 -6.107 1.00 0.00 H new ATOM 0 HA LYS A 32 10.050 -13.218 -7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.681 -12.862 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.296 -14.153 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.051 -12.492 -8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.430 -11.198 -7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.440 -11.765 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.661 -12.240 -7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.470 -13.992 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.142 -14.579 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.065 -15.119 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.655 -14.429 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.715 -13.482 -10.516 1.00 0.00 H new ATOM 285 N GLU A 33 10.722 -13.436 -4.109 1.00 0.00 N ATOM 286 CA GLU A 33 10.405 -14.114 -2.865 1.00 0.00 C ATOM 287 C GLU A 33 10.285 -13.077 -1.755 1.00 0.00 C ATOM 288 O GLU A 33 11.118 -12.172 -1.653 1.00 0.00 O ATOM 289 CB GLU A 33 11.477 -15.166 -2.543 1.00 0.00 C ATOM 290 CG GLU A 33 12.908 -14.654 -2.652 1.00 0.00 C ATOM 291 CD GLU A 33 13.928 -15.767 -2.568 1.00 0.00 C ATOM 292 OE1 GLU A 33 14.347 -16.113 -1.444 1.00 0.00 O ATOM 293 OE2 GLU A 33 14.315 -16.308 -3.623 1.00 0.00 O ATOM 0 H GLU A 33 11.388 -12.671 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 33 9.454 -14.639 -2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.312 -15.538 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.354 -16.013 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.030 -14.124 -3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.095 -13.933 -1.856 1.00 0.00 H new ATOM 296 N LEU A 34 9.251 -13.184 -0.940 1.00 0.00 N ATOM 297 CA LEU A 34 8.999 -12.167 0.072 1.00 0.00 C ATOM 298 C LEU A 34 8.695 -12.761 1.438 1.00 0.00 C ATOM 299 O LEU A 34 8.144 -13.859 1.550 1.00 0.00 O ATOM 300 CB LEU A 34 7.868 -11.187 -0.389 1.00 0.00 C ATOM 301 CG LEU A 34 6.391 -11.685 -0.416 1.00 0.00 C ATOM 302 CD1 LEU A 34 6.248 -13.056 -1.060 1.00 0.00 C ATOM 303 CD2 LEU A 34 5.762 -11.656 0.972 1.00 0.00 C ATOM 0 H LEU A 34 8.580 -13.952 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 34 9.921 -11.597 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.907 -10.313 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.118 -10.848 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 34 5.842 -10.984 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.200 -13.354 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.606 -13.014 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.836 -13.784 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.733 -12.010 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.330 -12.302 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.773 -10.636 1.355 1.00 0.00 H new ATOM 315 N ARG A 35 9.077 -12.031 2.475 1.00 0.00 N ATOM 316 CA ARG A 35 8.797 -12.419 3.843 1.00 0.00 C ATOM 317 C ARG A 35 8.451 -11.189 4.674 1.00 0.00 C ATOM 318 O ARG A 35 9.314 -10.349 4.944 1.00 0.00 O ATOM 319 CB ARG A 35 9.985 -13.161 4.482 1.00 0.00 C ATOM 320 CG ARG A 35 10.397 -14.435 3.758 1.00 0.00 C ATOM 321 CD ARG A 35 11.252 -15.327 4.642 1.00 0.00 C ATOM 322 NE ARG A 35 10.496 -15.839 5.790 1.00 0.00 N ATOM 323 CZ ARG A 35 10.100 -17.111 5.934 1.00 0.00 C ATOM 324 NH1 ARG A 35 10.385 -18.010 5.001 1.00 0.00 N ATOM 325 NH2 ARG A 35 9.412 -17.472 7.009 1.00 0.00 N ATOM 0 H ARG A 35 9.590 -11.153 2.388 1.00 0.00 H new ATOM 0 HA ARG A 35 7.947 -13.102 3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.841 -12.487 4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.730 -13.410 5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.507 -14.979 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.950 -14.178 2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.633 -16.163 4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.117 -14.766 4.997 1.00 0.00 H new ATOM 0 HE ARG A 35 10.255 -15.181 6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.908 -17.734 4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.081 -18.977 5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.185 -16.782 7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.110 -18.440 7.120 1.00 0.00 H new ATOM 328 N GLY A 36 7.185 -11.066 5.032 1.00 0.00 N ATOM 329 CA GLY A 36 6.746 -9.970 5.868 1.00 0.00 C ATOM 330 C GLY A 36 6.815 -8.619 5.187 1.00 0.00 C ATOM 331 O GLY A 36 6.327 -8.449 4.068 1.00 0.00 O ATOM 0 H GLY A 36 6.446 -11.712 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.720 -10.155 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.358 -9.944 6.769 1.00 0.00 H new ATOM 335 N THR A 37 7.440 -7.665 5.855 1.00 0.00 N ATOM 336 CA THR A 37 7.521 -6.302 5.362 1.00 0.00 C ATOM 337 C THR A 37 8.926 -5.975 4.831 1.00 0.00 C ATOM 338 O THR A 37 9.230 -4.819 4.503 1.00 0.00 O ATOM 339 CB THR A 37 7.127 -5.286 6.475 1.00 0.00 C ATOM 340 OG1 THR A 37 7.215 -3.946 5.981 1.00 0.00 O ATOM 341 CG2 THR A 37 8.030 -5.436 7.696 1.00 0.00 C ATOM 0 H THR A 37 7.904 -7.813 6.751 1.00 0.00 H new ATOM 0 HA THR A 37 6.815 -6.216 4.536 1.00 0.00 H new ATOM 0 HB THR A 37 6.099 -5.497 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.272 -3.961 5.003 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.734 -4.715 8.458 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.937 -6.446 8.096 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.065 -5.254 7.407 1.00 0.00 H new ATOM 348 N GLU A 38 9.773 -6.982 4.732 1.00 0.00 N ATOM 349 CA GLU A 38 11.116 -6.771 4.229 1.00 0.00 C ATOM 350 C GLU A 38 11.080 -6.295 2.778 1.00 0.00 C ATOM 351 O GLU A 38 11.721 -5.311 2.423 1.00 0.00 O ATOM 352 CB GLU A 38 11.946 -8.048 4.349 1.00 0.00 C ATOM 353 CG GLU A 38 13.330 -7.934 3.734 1.00 0.00 C ATOM 354 CD GLU A 38 14.154 -9.176 3.934 1.00 0.00 C ATOM 355 OE1 GLU A 38 13.777 -10.236 3.407 1.00 0.00 O ATOM 356 OE2 GLU A 38 15.181 -9.101 4.634 1.00 0.00 O ATOM 0 H GLU A 38 9.558 -7.945 4.990 1.00 0.00 H new ATOM 0 HA GLU A 38 11.586 -5.997 4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.046 -8.309 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.410 -8.866 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.234 -7.733 2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.850 -7.082 4.173 1.00 0.00 H new ATOM 359 N SER A 39 10.296 -6.980 1.967 1.00 0.00 N ATOM 360 CA SER A 39 10.193 -6.678 0.551 1.00 0.00 C ATOM 361 C SER A 39 9.485 -5.340 0.295 1.00 0.00 C ATOM 362 O SER A 39 9.862 -4.596 -0.613 1.00 0.00 O ATOM 363 CB SER A 39 9.461 -7.809 -0.144 1.00 0.00 C ATOM 364 OG SER A 39 9.997 -9.059 0.264 1.00 0.00 O ATOM 0 H SER A 39 9.713 -7.760 2.270 1.00 0.00 H new ATOM 0 HA SER A 39 11.201 -6.583 0.147 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.398 -7.765 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.551 -7.701 -1.225 1.00 0.00 H new ATOM 0 HG SER A 39 10.484 -9.466 -0.483 1.00 0.00 H new ATOM 370 N THR A 40 8.473 -5.032 1.102 1.00 0.00 N ATOM 371 CA THR A 40 7.746 -3.780 0.958 1.00 0.00 C ATOM 372 C THR A 40 8.663 -2.602 1.234 1.00 0.00 C ATOM 373 O THR A 40 8.734 -1.657 0.445 1.00 0.00 O ATOM 374 CB THR A 40 6.545 -3.714 1.915 1.00 0.00 C ATOM 375 OG1 THR A 40 6.938 -4.202 3.191 1.00 0.00 O ATOM 376 CG2 THR A 40 5.388 -4.539 1.401 1.00 0.00 C ATOM 0 H THR A 40 8.141 -5.631 1.858 1.00 0.00 H new ATOM 0 HA THR A 40 7.380 -3.733 -0.068 1.00 0.00 H new ATOM 0 HB THR A 40 6.220 -2.676 1.988 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.904 -4.367 3.195 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.554 -4.472 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.076 -4.162 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.698 -5.580 1.305 1.00 0.00 H new ATOM 383 N GLN A 41 9.378 -2.675 2.350 1.00 0.00 N ATOM 384 CA GLN A 41 10.304 -1.624 2.734 1.00 0.00 C ATOM 385 C GLN A 41 11.484 -1.568 1.769 1.00 0.00 C ATOM 386 O GLN A 41 12.013 -0.492 1.485 1.00 0.00 O ATOM 387 CB GLN A 41 10.782 -1.836 4.169 1.00 0.00 C ATOM 388 CG GLN A 41 9.666 -1.718 5.199 1.00 0.00 C ATOM 389 CD GLN A 41 10.128 -2.029 6.609 1.00 0.00 C ATOM 390 OE1 GLN A 41 11.039 -2.824 6.814 1.00 0.00 O ATOM 391 NE2 GLN A 41 9.498 -1.408 7.588 1.00 0.00 N ATOM 0 H GLN A 41 9.332 -3.455 3.005 1.00 0.00 H new ATOM 0 HA GLN A 41 9.784 -0.667 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.239 -2.822 4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.557 -1.105 4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.258 -0.708 5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.857 -2.397 4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.745 -0.754 7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.764 -1.582 8.557 1.00 0.00 H new ATOM 400 N ASP A 42 11.877 -2.732 1.257 1.00 0.00 N ATOM 401 CA ASP A 42 12.959 -2.830 0.273 1.00 0.00 C ATOM 402 C ASP A 42 12.616 -2.011 -0.960 1.00 0.00 C ATOM 403 O ASP A 42 13.418 -1.177 -1.416 1.00 0.00 O ATOM 404 CB ASP A 42 13.185 -4.294 -0.130 1.00 0.00 C ATOM 405 CG ASP A 42 14.297 -4.464 -1.146 1.00 0.00 C ATOM 406 OD1 ASP A 42 15.474 -4.579 -0.740 1.00 0.00 O ATOM 407 OD2 ASP A 42 14.001 -4.504 -2.350 1.00 0.00 O ATOM 0 H ASP A 42 11.460 -3.628 1.508 1.00 0.00 H new ATOM 0 HA ASP A 42 13.872 -2.441 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.421 -4.878 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.260 -4.699 -0.541 1.00 0.00 H new ATOM 410 N ALA A 43 11.414 -2.244 -1.484 1.00 0.00 N ATOM 411 CA ALA A 43 10.929 -1.530 -2.652 1.00 0.00 C ATOM 412 C ALA A 43 10.824 -0.050 -2.372 1.00 0.00 C ATOM 413 O ALA A 43 11.351 0.753 -3.118 1.00 0.00 O ATOM 414 CB ALA A 43 9.575 -2.067 -3.086 1.00 0.00 C ATOM 0 H ALA A 43 10.757 -2.929 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 43 11.646 -1.685 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.230 -1.518 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.665 -3.125 -3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.858 -1.943 -2.275 1.00 0.00 H new ATOM 420 N CYS A 44 10.149 0.298 -1.283 1.00 0.00 N ATOM 421 CA CYS A 44 9.935 1.694 -0.917 1.00 0.00 C ATOM 422 C CYS A 44 11.246 2.480 -0.894 1.00 0.00 C ATOM 423 O CYS A 44 11.360 3.528 -1.536 1.00 0.00 O ATOM 424 CB CYS A 44 9.235 1.789 0.437 1.00 0.00 C ATOM 425 SG CYS A 44 7.593 1.039 0.475 1.00 0.00 S ATOM 0 H CYS A 44 9.738 -0.372 -0.634 1.00 0.00 H new ATOM 0 HA CYS A 44 9.296 2.140 -1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.859 1.309 1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.149 2.839 0.716 1.00 0.00 H new ATOM 0 HG CYS A 44 7.707 -0.248 0.618 1.00 0.00 H new ATOM 431 N ALA A 45 12.237 1.952 -0.188 1.00 0.00 N ATOM 432 CA ALA A 45 13.526 2.611 -0.062 1.00 0.00 C ATOM 433 C ALA A 45 14.246 2.724 -1.409 1.00 0.00 C ATOM 434 O ALA A 45 14.596 3.825 -1.844 1.00 0.00 O ATOM 435 CB ALA A 45 14.394 1.879 0.948 1.00 0.00 C ATOM 0 H ALA A 45 12.170 1.063 0.308 1.00 0.00 H new ATOM 0 HA ALA A 45 13.344 3.625 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.357 2.383 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.899 1.876 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.550 0.852 0.617 1.00 0.00 H new ATOM 441 N LYS A 46 14.442 1.593 -2.081 1.00 0.00 N ATOM 442 CA LYS A 46 15.175 1.579 -3.348 1.00 0.00 C ATOM 443 C LYS A 46 14.460 2.407 -4.416 1.00 0.00 C ATOM 444 O LYS A 46 15.089 3.165 -5.158 1.00 0.00 O ATOM 445 CB LYS A 46 15.369 0.142 -3.845 1.00 0.00 C ATOM 446 CG LYS A 46 16.313 0.023 -5.032 1.00 0.00 C ATOM 447 CD LYS A 46 17.711 0.502 -4.670 1.00 0.00 C ATOM 448 CE LYS A 46 18.679 0.333 -5.826 1.00 0.00 C ATOM 449 NZ LYS A 46 20.051 0.753 -5.459 1.00 0.00 N ATOM 0 H LYS A 46 14.107 0.680 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 46 16.152 2.027 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.752 -0.467 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.399 -0.270 -4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 46 16.355 -1.014 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.929 0.610 -5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.672 1.552 -4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.074 -0.055 -3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.690 -0.710 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 46 18.335 0.920 -6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.684 0.623 -6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.045 1.755 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.389 0.176 -4.663 1.00 0.00 H new ATOM 452 N MET A 47 13.154 2.266 -4.475 1.00 0.00 N ATOM 453 CA MET A 47 12.347 2.970 -5.456 1.00 0.00 C ATOM 454 C MET A 47 12.391 4.475 -5.244 1.00 0.00 C ATOM 455 O MET A 47 12.560 5.223 -6.198 1.00 0.00 O ATOM 456 CB MET A 47 10.914 2.468 -5.413 1.00 0.00 C ATOM 457 CG MET A 47 9.918 3.327 -6.162 1.00 0.00 C ATOM 458 SD MET A 47 8.231 2.819 -5.832 1.00 0.00 S ATOM 459 CE MET A 47 8.298 2.645 -4.047 1.00 0.00 C ATOM 0 H MET A 47 12.620 1.663 -3.849 1.00 0.00 H new ATOM 0 HA MET A 47 12.766 2.766 -6.441 1.00 0.00 H new ATOM 0 HB2 MET A 47 10.885 1.459 -5.825 1.00 0.00 H new ATOM 0 HB3 MET A 47 10.600 2.396 -4.372 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.047 4.370 -5.874 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.115 3.265 -7.232 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.313 2.844 -3.625 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.604 1.631 -3.792 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.017 3.355 -3.639 1.00 0.00 H new ATOM 469 N ARG A 48 12.250 4.928 -3.997 1.00 0.00 N ATOM 470 CA ARG A 48 12.291 6.361 -3.739 1.00 0.00 C ATOM 471 C ARG A 48 13.689 6.910 -4.014 1.00 0.00 C ATOM 472 O ARG A 48 13.840 8.040 -4.464 1.00 0.00 O ATOM 473 CB ARG A 48 11.836 6.716 -2.312 1.00 0.00 C ATOM 474 CG ARG A 48 12.791 6.298 -1.204 1.00 0.00 C ATOM 475 CD ARG A 48 12.331 6.828 0.146 1.00 0.00 C ATOM 476 NE ARG A 48 11.009 6.326 0.515 1.00 0.00 N ATOM 477 CZ ARG A 48 9.882 7.046 0.486 1.00 0.00 C ATOM 478 NH1 ARG A 48 9.906 8.333 0.133 1.00 0.00 N ATOM 479 NH2 ARG A 48 8.739 6.477 0.827 1.00 0.00 N ATOM 0 H ARG A 48 12.111 4.341 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 48 11.583 6.832 -4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.687 7.794 -2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.868 6.250 -2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.857 5.211 -1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.792 6.671 -1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.053 6.543 0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.309 7.917 0.118 1.00 0.00 H new ATOM 0 HE ARG A 48 10.941 5.354 0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.790 8.777 -0.118 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.041 8.873 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.721 5.497 1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.874 7.018 0.808 1.00 0.00 H new ATOM 482 N ALA A 49 14.709 6.085 -3.759 1.00 0.00 N ATOM 483 CA ALA A 49 16.090 6.464 -4.028 1.00 0.00 C ATOM 484 C ALA A 49 16.315 6.605 -5.528 1.00 0.00 C ATOM 485 O ALA A 49 17.095 7.443 -5.979 1.00 0.00 O ATOM 486 CB ALA A 49 17.048 5.440 -3.438 1.00 0.00 C ATOM 0 H ALA A 49 14.599 5.150 -3.366 1.00 0.00 H new ATOM 0 HA ALA A 49 16.285 7.427 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.075 5.739 -3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.900 5.383 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.856 4.464 -3.883 1.00 0.00 H new ATOM 492 N ASN A 50 15.629 5.772 -6.291 1.00 0.00 N ATOM 493 CA ASN A 50 15.698 5.817 -7.743 1.00 0.00 C ATOM 494 C ASN A 50 14.866 6.986 -8.276 1.00 0.00 C ATOM 495 O ASN A 50 15.282 7.694 -9.195 1.00 0.00 O ATOM 496 CB ASN A 50 15.182 4.495 -8.334 1.00 0.00 C ATOM 497 CG ASN A 50 15.132 4.497 -9.856 1.00 0.00 C ATOM 498 OD1 ASN A 50 15.962 5.114 -10.522 1.00 0.00 O ATOM 499 ND2 ASN A 50 14.152 3.814 -10.411 1.00 0.00 N ATOM 0 H ASN A 50 15.011 5.048 -5.925 1.00 0.00 H new ATOM 0 HA ASN A 50 16.737 5.960 -8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.824 3.680 -7.999 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.184 4.296 -7.944 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.062 3.784 -11.427 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.483 3.315 -9.825 1.00 0.00 H new ATOM 506 N CYS A 51 13.695 7.178 -7.685 1.00 0.00 N ATOM 507 CA CYS A 51 12.775 8.225 -8.102 1.00 0.00 C ATOM 508 C CYS A 51 13.358 9.613 -7.862 1.00 0.00 C ATOM 509 O CYS A 51 13.280 10.482 -8.741 1.00 0.00 O ATOM 510 CB CYS A 51 11.432 8.078 -7.376 1.00 0.00 C ATOM 511 SG CYS A 51 10.144 9.219 -7.943 1.00 0.00 S ATOM 0 H CYS A 51 13.357 6.614 -6.905 1.00 0.00 H new ATOM 0 HA CYS A 51 12.612 8.114 -9.174 1.00 0.00 H new ATOM 0 HB2 CYS A 51 11.075 7.056 -7.502 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.591 8.231 -6.309 1.00 0.00 H new ATOM 0 HG CYS A 51 9.223 9.321 -7.032 1.00 0.00 H new ATOM 517 N GLN A 52 13.948 9.829 -6.681 1.00 0.00 N ATOM 518 CA GLN A 52 14.529 11.123 -6.368 1.00 0.00 C ATOM 519 C GLN A 52 15.725 11.399 -7.268 1.00 0.00 C ATOM 520 O GLN A 52 16.715 10.664 -7.267 1.00 0.00 O ATOM 521 CB GLN A 52 14.898 11.254 -4.874 1.00 0.00 C ATOM 522 CG GLN A 52 16.024 10.347 -4.401 1.00 0.00 C ATOM 523 CD GLN A 52 16.368 10.573 -2.940 1.00 0.00 C ATOM 524 OE1 GLN A 52 16.875 9.549 -2.286 1.00 0.00 O flip ATOM 525 NE2 GLN A 52 16.190 11.674 -2.410 1.00 0.00 N flip ATOM 0 H GLN A 52 14.031 9.131 -5.942 1.00 0.00 H new ATOM 0 HA GLN A 52 13.771 11.881 -6.563 1.00 0.00 H new ATOM 0 HB2 GLN A 52 15.179 12.288 -4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.010 11.045 -4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 52 15.736 9.306 -4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 52 16.910 10.521 -5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.794 12.443 -2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 52 16.439 11.815 -1.431 1.00 0.00 H new ATOM 534 N LYS A 53 15.616 12.444 -8.045 1.00 0.00 N ATOM 535 CA LYS A 53 16.627 12.800 -9.007 1.00 0.00 C ATOM 536 C LYS A 53 16.378 14.238 -9.442 1.00 0.00 C ATOM 537 O LYS A 53 15.354 14.815 -9.098 1.00 0.00 O ATOM 538 CB LYS A 53 16.518 11.857 -10.224 1.00 0.00 C ATOM 539 CG LYS A 53 17.789 11.726 -11.053 1.00 0.00 C ATOM 540 CD LYS A 53 18.845 10.873 -10.354 1.00 0.00 C ATOM 541 CE LYS A 53 18.402 9.417 -10.234 1.00 0.00 C ATOM 542 NZ LYS A 53 19.481 8.548 -9.697 1.00 0.00 N ATOM 0 H LYS A 53 14.817 13.078 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 53 17.623 12.708 -8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 53 16.228 10.867 -9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.716 12.214 -10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.547 11.283 -12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 53 18.197 12.718 -11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.781 10.924 -10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.041 11.277 -9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.530 9.356 -9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.095 9.050 -11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 19.138 7.568 -9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 20.304 8.585 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.757 8.882 -8.751 1.00 0.00 H new ATOM 545 N SER A 54 17.286 14.811 -10.189 1.00 0.00 N ATOM 546 CA SER A 54 17.107 16.170 -10.683 1.00 0.00 C ATOM 547 C SER A 54 16.424 16.135 -12.055 1.00 0.00 C ATOM 548 O SER A 54 16.549 17.060 -12.856 1.00 0.00 O ATOM 549 CB SER A 54 18.463 16.856 -10.779 1.00 0.00 C ATOM 550 OG SER A 54 19.190 16.712 -9.566 1.00 0.00 O ATOM 0 H SER A 54 18.159 14.366 -10.473 1.00 0.00 H new ATOM 0 HA SER A 54 16.475 16.732 -9.995 1.00 0.00 H new ATOM 0 HB2 SER A 54 19.034 16.428 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.325 17.914 -11.002 1.00 0.00 H new ATOM 0 HG SER A 54 20.058 17.158 -9.650 1.00 0.00 H new ATOM 556 N THR A 55 15.679 15.071 -12.293 1.00 0.00 N ATOM 557 CA THR A 55 15.039 14.839 -13.568 1.00 0.00 C ATOM 558 C THR A 55 13.552 15.232 -13.556 1.00 0.00 C ATOM 559 O THR A 55 13.180 16.311 -14.032 1.00 0.00 O ATOM 560 CB THR A 55 15.163 13.354 -13.946 1.00 0.00 C ATOM 561 OG1 THR A 55 16.531 12.949 -13.811 1.00 0.00 O ATOM 562 CG2 THR A 55 14.697 13.107 -15.374 1.00 0.00 C ATOM 0 H THR A 55 15.502 14.342 -11.602 1.00 0.00 H new ATOM 0 HA THR A 55 15.545 15.466 -14.302 1.00 0.00 H new ATOM 0 HB THR A 55 14.529 12.772 -13.278 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.617 12.002 -14.049 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.797 12.048 -15.611 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.653 13.404 -15.472 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.307 13.692 -16.062 1.00 0.00 H new ATOM 569 N GLU A 56 12.724 14.363 -12.988 1.00 0.00 N ATOM 570 CA GLU A 56 11.279 14.551 -12.978 1.00 0.00 C ATOM 571 C GLU A 56 10.814 15.233 -11.704 1.00 0.00 C ATOM 572 O GLU A 56 11.621 15.612 -10.856 1.00 0.00 O ATOM 573 CB GLU A 56 10.587 13.193 -13.094 1.00 0.00 C ATOM 574 CG GLU A 56 10.899 12.441 -14.373 1.00 0.00 C ATOM 575 CD GLU A 56 10.367 13.144 -15.591 1.00 0.00 C ATOM 576 OE1 GLU A 56 9.142 13.109 -15.809 1.00 0.00 O ATOM 577 OE2 GLU A 56 11.159 13.726 -16.338 1.00 0.00 O ATOM 0 H GLU A 56 13.035 13.510 -12.523 1.00 0.00 H new ATOM 0 HA GLU A 56 11.019 15.187 -13.824 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.878 12.576 -12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.509 13.341 -13.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.978 12.321 -14.468 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.471 11.440 -14.317 1.00 0.00 H new ATOM 580 N GLN A 57 9.508 15.385 -11.578 1.00 0.00 N ATOM 581 CA GLN A 57 8.914 15.933 -10.380 1.00 0.00 C ATOM 582 C GLN A 57 8.393 14.795 -9.517 1.00 0.00 C ATOM 583 O GLN A 57 7.253 14.359 -9.668 1.00 0.00 O ATOM 584 CB GLN A 57 7.776 16.905 -10.716 1.00 0.00 C ATOM 585 CG GLN A 57 8.204 18.096 -11.556 1.00 0.00 C ATOM 586 CD GLN A 57 7.083 19.096 -11.754 1.00 0.00 C ATOM 587 OE1 GLN A 57 6.917 20.024 -10.963 1.00 0.00 O ATOM 588 NE2 GLN A 57 6.302 18.915 -12.802 1.00 0.00 N ATOM 0 H GLN A 57 8.835 15.132 -12.302 1.00 0.00 H new ATOM 0 HA GLN A 57 9.676 16.492 -9.837 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.994 16.362 -11.247 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.337 17.269 -9.787 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.048 18.591 -11.076 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.551 17.746 -12.528 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.471 18.134 -13.435 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.529 19.556 -12.979 1.00 0.00 H new ATOM 597 N MET A 58 9.250 14.291 -8.651 1.00 0.00 N ATOM 598 CA MET A 58 8.905 13.178 -7.768 1.00 0.00 C ATOM 599 C MET A 58 7.757 13.542 -6.839 1.00 0.00 C ATOM 600 O MET A 58 7.497 14.722 -6.593 1.00 0.00 O ATOM 601 CB MET A 58 10.127 12.725 -6.970 1.00 0.00 C ATOM 602 CG MET A 58 10.932 13.868 -6.387 1.00 0.00 C ATOM 603 SD MET A 58 12.676 13.791 -6.848 1.00 0.00 S ATOM 604 CE MET A 58 12.558 13.723 -8.643 1.00 0.00 C ATOM 0 H MET A 58 10.203 14.635 -8.534 1.00 0.00 H new ATOM 0 HA MET A 58 8.574 12.348 -8.392 1.00 0.00 H new ATOM 0 HB2 MET A 58 9.800 12.073 -6.160 1.00 0.00 H new ATOM 0 HB3 MET A 58 10.772 12.131 -7.617 1.00 0.00 H new ATOM 0 HG2 MET A 58 10.511 14.815 -6.726 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.846 13.852 -5.301 1.00 0.00 H new ATOM 0 HE1 MET A 58 13.260 12.982 -9.026 1.00 0.00 H new ATOM 0 HE2 MET A 58 11.544 13.445 -8.931 1.00 0.00 H new ATOM 0 HE3 MET A 58 12.798 14.701 -9.061 1.00 0.00 H new ATOM 614 N LYS A 59 7.065 12.510 -6.342 1.00 0.00 N ATOM 615 CA LYS A 59 5.886 12.657 -5.473 1.00 0.00 C ATOM 616 C LYS A 59 4.656 13.072 -6.292 1.00 0.00 C ATOM 617 O LYS A 59 3.544 12.620 -6.031 1.00 0.00 O ATOM 618 CB LYS A 59 6.147 13.638 -4.306 1.00 0.00 C ATOM 619 CG LYS A 59 4.999 13.745 -3.299 1.00 0.00 C ATOM 620 CD LYS A 59 4.671 12.396 -2.655 1.00 0.00 C ATOM 621 CE LYS A 59 5.847 11.837 -1.853 1.00 0.00 C ATOM 622 NZ LYS A 59 6.232 12.726 -0.726 1.00 0.00 N ATOM 0 H LYS A 59 7.309 11.538 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 59 5.682 11.684 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.048 13.324 -3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.346 14.628 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.264 14.462 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.112 14.132 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.807 12.509 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.391 11.683 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.584 10.853 -1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.703 11.700 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.913 12.234 -0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.667 13.593 -1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.386 12.974 -0.174 1.00 0.00 H new ATOM 625 N LYS A 60 4.866 13.924 -7.286 1.00 0.00 N ATOM 626 CA LYS A 60 3.803 14.325 -8.184 1.00 0.00 C ATOM 627 C LYS A 60 3.654 13.281 -9.288 1.00 0.00 C ATOM 628 O LYS A 60 4.200 13.428 -10.388 1.00 0.00 O ATOM 629 CB LYS A 60 4.082 15.713 -8.789 1.00 0.00 C ATOM 630 CG LYS A 60 3.007 16.202 -9.758 1.00 0.00 C ATOM 631 CD LYS A 60 1.678 16.449 -9.056 1.00 0.00 C ATOM 632 CE LYS A 60 0.577 16.801 -10.050 1.00 0.00 C ATOM 633 NZ LYS A 60 0.939 17.958 -10.908 1.00 0.00 N ATOM 0 H LYS A 60 5.770 14.351 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 60 2.873 14.392 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.182 16.436 -7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.039 15.684 -9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.341 17.123 -10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.868 15.464 -10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.392 15.560 -8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.791 17.259 -8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.369 15.936 -10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.340 17.028 -9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.113 18.245 -11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.243 18.752 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.715 17.688 -11.545 1.00 0.00 H new ATOM 636 N VAL A 61 2.963 12.214 -8.977 1.00 0.00 N ATOM 637 CA VAL A 61 2.752 11.138 -9.920 1.00 0.00 C ATOM 638 C VAL A 61 1.256 10.859 -10.072 1.00 0.00 C ATOM 639 O VAL A 61 0.463 11.298 -9.233 1.00 0.00 O ATOM 640 CB VAL A 61 3.517 9.845 -9.492 1.00 0.00 C ATOM 641 CG1 VAL A 61 5.019 10.055 -9.587 1.00 0.00 C ATOM 642 CG2 VAL A 61 3.138 9.431 -8.085 1.00 0.00 C ATOM 0 H VAL A 61 2.530 12.064 -8.066 1.00 0.00 H new ATOM 0 HA VAL A 61 3.152 11.449 -10.885 1.00 0.00 H new ATOM 0 HB VAL A 61 3.230 9.046 -10.175 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.534 9.143 -9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.288 10.300 -10.615 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.314 10.873 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.684 8.528 -7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.389 10.232 -7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.067 9.234 -8.040 1.00 0.00 H new ATOM 652 N PRO A 62 0.853 10.162 -11.169 1.00 0.00 N ATOM 653 CA PRO A 62 -0.554 9.835 -11.461 1.00 0.00 C ATOM 654 C PRO A 62 -1.376 9.467 -10.225 1.00 0.00 C ATOM 655 O PRO A 62 -1.079 8.490 -9.525 1.00 0.00 O ATOM 656 CB PRO A 62 -0.420 8.638 -12.387 1.00 0.00 C ATOM 657 CG PRO A 62 0.810 8.929 -13.173 1.00 0.00 C ATOM 658 CD PRO A 62 1.747 9.650 -12.237 1.00 0.00 C ATOM 0 HA PRO A 62 -1.088 10.688 -11.880 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.325 7.708 -11.826 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.292 8.533 -13.033 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.262 8.009 -13.544 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.580 9.544 -14.043 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.507 8.979 -11.836 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.272 10.461 -12.742 1.00 0.00 H new ATOM 666 N THR A 63 -2.406 10.256 -9.965 1.00 0.00 N ATOM 667 CA THR A 63 -3.269 10.041 -8.827 1.00 0.00 C ATOM 668 C THR A 63 -4.237 8.887 -9.098 1.00 0.00 C ATOM 669 O THR A 63 -4.871 8.819 -10.156 1.00 0.00 O ATOM 670 CB THR A 63 -4.060 11.322 -8.490 1.00 0.00 C ATOM 671 OG1 THR A 63 -3.162 12.446 -8.506 1.00 0.00 O ATOM 672 CG2 THR A 63 -4.713 11.218 -7.111 1.00 0.00 C ATOM 0 H THR A 63 -2.662 11.060 -10.538 1.00 0.00 H new ATOM 0 HA THR A 63 -2.642 9.783 -7.973 1.00 0.00 H new ATOM 0 HB THR A 63 -4.846 11.452 -9.234 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.658 13.264 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.264 12.134 -6.899 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.399 10.371 -7.096 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.943 11.075 -6.353 1.00 0.00 H new ATOM 679 N ILE A 64 -4.331 7.992 -8.145 1.00 0.00 N ATOM 680 CA ILE A 64 -5.174 6.833 -8.245 1.00 0.00 C ATOM 681 C ILE A 64 -6.072 6.741 -6.994 1.00 0.00 C ATOM 682 O ILE A 64 -5.618 6.970 -5.869 1.00 0.00 O ATOM 683 CB ILE A 64 -4.295 5.543 -8.433 1.00 0.00 C ATOM 684 CG1 ILE A 64 -5.149 4.278 -8.667 1.00 0.00 C ATOM 685 CG2 ILE A 64 -3.336 5.348 -7.258 1.00 0.00 C ATOM 686 CD1 ILE A 64 -5.681 3.630 -7.408 1.00 0.00 C ATOM 0 H ILE A 64 -3.815 8.052 -7.267 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.821 6.917 -9.118 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.702 5.698 -9.334 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.991 4.539 -9.308 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.549 3.547 -9.210 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.743 4.448 -7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.674 6.210 -7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.907 5.247 -6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.268 2.750 -7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.847 3.333 -6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.311 4.340 -6.872 1.00 0.00 H new ATOM 697 N ILE A 65 -7.339 6.442 -7.206 1.00 0.00 N ATOM 698 CA ILE A 65 -8.301 6.347 -6.124 1.00 0.00 C ATOM 699 C ILE A 65 -8.269 4.968 -5.477 1.00 0.00 C ATOM 700 O ILE A 65 -8.602 3.954 -6.101 1.00 0.00 O ATOM 701 CB ILE A 65 -9.739 6.660 -6.603 1.00 0.00 C ATOM 702 CG1 ILE A 65 -9.797 8.065 -7.212 1.00 0.00 C ATOM 703 CG2 ILE A 65 -10.728 6.540 -5.444 1.00 0.00 C ATOM 704 CD1 ILE A 65 -11.158 8.447 -7.752 1.00 0.00 C ATOM 0 H ILE A 65 -7.730 6.259 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.014 7.094 -5.385 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.017 5.935 -7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.502 8.791 -6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -9.066 8.131 -8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.734 6.764 -5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -10.701 5.526 -5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.456 7.245 -4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -11.116 9.455 -8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -11.449 7.746 -8.534 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -11.891 8.416 -6.946 1.00 0.00 H new ATOM 715 N LEU A 66 -7.858 4.953 -4.235 1.00 0.00 N ATOM 716 CA LEU A 66 -7.767 3.750 -3.446 1.00 0.00 C ATOM 717 C LEU A 66 -9.107 3.426 -2.813 1.00 0.00 C ATOM 718 O LEU A 66 -9.520 4.086 -1.856 1.00 0.00 O ATOM 719 CB LEU A 66 -6.712 3.943 -2.345 1.00 0.00 C ATOM 720 CG LEU A 66 -5.329 3.331 -2.594 1.00 0.00 C ATOM 721 CD1 LEU A 66 -5.359 1.844 -2.345 1.00 0.00 C ATOM 722 CD2 LEU A 66 -4.847 3.614 -4.007 1.00 0.00 C ATOM 0 H LEU A 66 -7.571 5.793 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.479 2.923 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.585 5.013 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.107 3.524 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.630 3.794 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.369 1.425 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.650 1.654 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.079 1.377 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.864 3.167 -4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.549 3.187 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.782 4.691 -4.160 1.00 0.00 H new ATOM 734 N SER A 67 -9.801 2.445 -3.362 1.00 0.00 N ATOM 735 CA SER A 67 -11.053 2.007 -2.795 1.00 0.00 C ATOM 736 C SER A 67 -10.848 0.680 -2.087 1.00 0.00 C ATOM 737 O SER A 67 -10.789 -0.384 -2.720 1.00 0.00 O ATOM 738 CB SER A 67 -12.110 1.865 -3.870 1.00 0.00 C ATOM 739 OG SER A 67 -12.247 3.060 -4.619 1.00 0.00 O ATOM 0 H SER A 67 -9.514 1.940 -4.200 1.00 0.00 H new ATOM 0 HA SER A 67 -11.396 2.754 -2.079 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.846 1.044 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.065 1.609 -3.412 1.00 0.00 H new ATOM 0 HG SER A 67 -12.890 3.652 -4.176 1.00 0.00 H new ATOM 745 N VAL A 68 -10.718 0.749 -0.796 1.00 0.00 N ATOM 746 CA VAL A 68 -10.476 -0.429 0.010 1.00 0.00 C ATOM 747 C VAL A 68 -11.743 -0.863 0.741 1.00 0.00 C ATOM 748 O VAL A 68 -12.416 -0.050 1.381 1.00 0.00 O ATOM 749 CB VAL A 68 -9.316 -0.198 1.021 1.00 0.00 C ATOM 750 CG1 VAL A 68 -9.556 1.049 1.864 1.00 0.00 C ATOM 751 CG2 VAL A 68 -9.113 -1.420 1.906 1.00 0.00 C ATOM 0 H VAL A 68 -10.775 1.618 -0.264 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.178 -1.230 -0.666 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.403 -0.040 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.728 1.182 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.627 1.920 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.485 0.937 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.297 -1.233 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.028 -1.621 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.869 -2.282 1.285 1.00 0.00 H new ATOM 761 N SER A 69 -12.076 -2.136 0.626 1.00 0.00 N ATOM 762 CA SER A 69 -13.257 -2.673 1.259 1.00 0.00 C ATOM 763 C SER A 69 -13.025 -4.113 1.687 1.00 0.00 C ATOM 764 O SER A 69 -12.207 -4.826 1.096 1.00 0.00 O ATOM 765 CB SER A 69 -14.443 -2.610 0.290 1.00 0.00 C ATOM 766 OG SER A 69 -15.641 -3.040 0.915 1.00 0.00 O ATOM 0 H SER A 69 -11.537 -2.819 0.094 1.00 0.00 H new ATOM 0 HA SER A 69 -13.478 -2.075 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.565 -1.589 -0.073 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.239 -3.235 -0.579 1.00 0.00 H new ATOM 0 HG SER A 69 -15.863 -2.432 1.651 1.00 0.00 H new ATOM 772 N ALA A 70 -13.756 -4.547 2.707 1.00 0.00 N ATOM 773 CA ALA A 70 -13.672 -5.922 3.180 1.00 0.00 C ATOM 774 C ALA A 70 -14.340 -6.860 2.177 1.00 0.00 C ATOM 775 O ALA A 70 -14.252 -8.081 2.289 1.00 0.00 O ATOM 776 CB ALA A 70 -14.323 -6.051 4.551 1.00 0.00 C ATOM 0 H ALA A 70 -14.415 -3.964 3.223 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.622 -6.201 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.253 -7.084 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.811 -5.400 5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.372 -5.762 4.484 1.00 0.00 H new ATOM 782 N LYS A 71 -15.011 -6.266 1.196 1.00 0.00 N ATOM 783 CA LYS A 71 -15.670 -7.018 0.144 1.00 0.00 C ATOM 784 C LYS A 71 -14.794 -7.051 -1.106 1.00 0.00 C ATOM 785 O LYS A 71 -15.206 -7.550 -2.155 1.00 0.00 O ATOM 786 CB LYS A 71 -17.025 -6.388 -0.196 1.00 0.00 C ATOM 787 CG LYS A 71 -17.975 -6.264 0.988 1.00 0.00 C ATOM 788 CD LYS A 71 -19.299 -5.617 0.582 1.00 0.00 C ATOM 789 CE LYS A 71 -20.026 -6.445 -0.470 1.00 0.00 C ATOM 790 NZ LYS A 71 -21.374 -5.905 -0.780 1.00 0.00 N ATOM 0 H LYS A 71 -15.111 -5.254 1.111 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.831 -8.036 0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.856 -5.397 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.506 -6.985 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -18.166 -7.252 1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.505 -5.670 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -19.934 -5.504 1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.112 -4.616 0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.430 -6.474 -1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -20.121 -7.472 -0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -21.980 -6.670 -1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -21.796 -5.507 0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -21.292 -5.159 -1.500 1.00 0.00 H new ATOM 793 N GLY A 72 -13.595 -6.503 -0.993 1.00 0.00 N ATOM 794 CA GLY A 72 -12.688 -6.476 -2.116 1.00 0.00 C ATOM 795 C GLY A 72 -12.030 -5.130 -2.266 1.00 0.00 C ATOM 796 O GLY A 72 -12.515 -4.136 -1.733 1.00 0.00 O ATOM 0 H GLY A 72 -13.234 -6.076 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.924 -7.242 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.231 -6.720 -3.029 1.00 0.00 H new ATOM 800 N VAL A 73 -10.932 -5.089 -2.982 1.00 0.00 N ATOM 801 CA VAL A 73 -10.212 -3.850 -3.177 1.00 0.00 C ATOM 802 C VAL A 73 -10.144 -3.496 -4.648 1.00 0.00 C ATOM 803 O VAL A 73 -9.943 -4.364 -5.507 1.00 0.00 O ATOM 804 CB VAL A 73 -8.781 -3.909 -2.586 1.00 0.00 C ATOM 805 CG1 VAL A 73 -8.835 -4.049 -1.073 1.00 0.00 C ATOM 806 CG2 VAL A 73 -7.987 -5.053 -3.202 1.00 0.00 C ATOM 0 H VAL A 73 -10.516 -5.900 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.763 -3.075 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.274 -2.975 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.821 -4.089 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.359 -3.193 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.364 -4.965 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.986 -5.074 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.491 -5.998 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.915 -4.907 -4.280 1.00 0.00 H new ATOM 816 N LYS A 74 -10.322 -2.234 -4.943 1.00 0.00 N ATOM 817 CA LYS A 74 -10.275 -1.775 -6.305 1.00 0.00 C ATOM 818 C LYS A 74 -9.525 -0.465 -6.409 1.00 0.00 C ATOM 819 O LYS A 74 -9.693 0.443 -5.585 1.00 0.00 O ATOM 820 CB LYS A 74 -11.680 -1.683 -6.910 1.00 0.00 C ATOM 821 CG LYS A 74 -12.684 -0.911 -6.069 1.00 0.00 C ATOM 822 CD LYS A 74 -14.096 -1.055 -6.620 1.00 0.00 C ATOM 823 CE LYS A 74 -14.574 -2.501 -6.557 1.00 0.00 C ATOM 824 NZ LYS A 74 -15.919 -2.663 -7.143 1.00 0.00 N ATOM 0 H LYS A 74 -10.502 -1.504 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.725 -2.511 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.609 -1.211 -7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.059 -2.692 -7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.654 -1.272 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.407 0.143 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.776 -0.421 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.122 -0.706 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.868 -3.140 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.588 -2.834 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.207 -3.660 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.598 -2.073 -6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.901 -2.370 -8.141 1.00 0.00 H new ATOM 827 N PHE A 75 -8.687 -0.391 -7.405 1.00 0.00 N ATOM 828 CA PHE A 75 -7.842 0.744 -7.626 1.00 0.00 C ATOM 829 C PHE A 75 -8.197 1.386 -8.966 1.00 0.00 C ATOM 830 O PHE A 75 -7.876 0.848 -10.041 1.00 0.00 O ATOM 831 CB PHE A 75 -6.373 0.284 -7.587 1.00 0.00 C ATOM 832 CG PHE A 75 -6.107 -0.712 -6.481 1.00 0.00 C ATOM 833 CD1 PHE A 75 -6.056 -0.302 -5.160 1.00 0.00 C ATOM 834 CD2 PHE A 75 -5.936 -2.061 -6.765 1.00 0.00 C ATOM 835 CE1 PHE A 75 -5.836 -1.216 -4.142 1.00 0.00 C ATOM 836 CE2 PHE A 75 -5.720 -2.977 -5.752 1.00 0.00 C ATOM 837 CZ PHE A 75 -5.669 -2.552 -4.440 1.00 0.00 C ATOM 0 H PHE A 75 -8.572 -1.132 -8.097 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.989 1.493 -6.848 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.110 -0.164 -8.545 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.727 1.152 -7.453 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.189 0.743 -4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.972 -2.399 -7.790 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.795 -0.882 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.591 -4.023 -5.987 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.498 -3.265 -3.647 1.00 0.00 H new ATOM 843 N ILE A 76 -8.887 2.515 -8.890 1.00 0.00 N ATOM 844 CA ILE A 76 -9.375 3.219 -10.072 1.00 0.00 C ATOM 845 C ILE A 76 -8.610 4.528 -10.259 1.00 0.00 C ATOM 846 O ILE A 76 -8.203 5.142 -9.297 1.00 0.00 O ATOM 847 CB ILE A 76 -10.904 3.545 -9.950 1.00 0.00 C ATOM 848 CG1 ILE A 76 -11.729 2.298 -9.595 1.00 0.00 C ATOM 849 CG2 ILE A 76 -11.438 4.168 -11.224 1.00 0.00 C ATOM 850 CD1 ILE A 76 -11.799 2.003 -8.111 1.00 0.00 C ATOM 0 H ILE A 76 -9.125 2.970 -8.009 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.218 2.566 -10.930 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.005 4.264 -9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.742 2.425 -9.977 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.301 1.435 -10.106 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.500 4.382 -11.107 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -10.902 5.095 -11.428 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.297 3.476 -12.054 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.399 1.108 -7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.793 1.842 -7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -12.256 2.847 -7.593 1.00 0.00 H new ATOM 861 N ASP A 77 -8.421 4.938 -11.499 1.00 0.00 N ATOM 862 CA ASP A 77 -7.722 6.190 -11.807 1.00 0.00 C ATOM 863 C ASP A 77 -8.520 7.388 -11.269 1.00 0.00 C ATOM 864 O ASP A 77 -9.746 7.333 -11.197 1.00 0.00 O ATOM 865 CB ASP A 77 -7.528 6.317 -13.320 1.00 0.00 C ATOM 866 CG ASP A 77 -6.620 7.457 -13.708 1.00 0.00 C ATOM 867 OD1 ASP A 77 -7.064 8.609 -13.659 1.00 0.00 O ATOM 868 OD2 ASP A 77 -5.464 7.197 -14.080 1.00 0.00 O ATOM 0 H ASP A 77 -8.741 4.425 -12.320 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.744 6.180 -11.325 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.116 5.385 -13.707 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.499 6.457 -13.794 1.00 0.00 H new ATOM 871 N ALA A 78 -7.833 8.462 -10.901 1.00 0.00 N ATOM 872 CA ALA A 78 -8.501 9.624 -10.318 1.00 0.00 C ATOM 873 C ALA A 78 -8.877 10.688 -11.355 1.00 0.00 C ATOM 874 O ALA A 78 -9.829 11.437 -11.156 1.00 0.00 O ATOM 875 CB ALA A 78 -7.637 10.241 -9.230 1.00 0.00 C ATOM 0 H ALA A 78 -6.822 8.555 -10.994 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.434 9.259 -9.888 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.148 11.105 -8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.458 9.505 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.685 10.556 -9.657 1.00 0.00 H new ATOM 881 N THR A 79 -8.149 10.747 -12.456 1.00 0.00 N ATOM 882 CA THR A 79 -8.407 11.769 -13.464 1.00 0.00 C ATOM 883 C THR A 79 -9.203 11.202 -14.640 1.00 0.00 C ATOM 884 O THR A 79 -10.047 11.888 -15.229 1.00 0.00 O ATOM 885 CB THR A 79 -7.084 12.424 -13.971 1.00 0.00 C ATOM 886 OG1 THR A 79 -7.369 13.452 -14.929 1.00 0.00 O ATOM 887 CG2 THR A 79 -6.155 11.393 -14.597 1.00 0.00 C ATOM 0 H THR A 79 -7.383 10.110 -12.677 1.00 0.00 H new ATOM 0 HA THR A 79 -9.006 12.544 -12.985 1.00 0.00 H new ATOM 0 HB THR A 79 -6.584 12.860 -13.106 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.530 13.854 -15.236 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.244 11.884 -14.939 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.902 10.634 -13.857 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.653 10.922 -15.444 1.00 0.00 H new ATOM 894 N ASN A 80 -8.943 9.955 -14.971 1.00 0.00 N ATOM 895 CA ASN A 80 -9.630 9.301 -16.069 1.00 0.00 C ATOM 896 C ASN A 80 -10.733 8.404 -15.536 1.00 0.00 C ATOM 897 O ASN A 80 -11.687 8.069 -16.250 1.00 0.00 O ATOM 898 CB ASN A 80 -8.635 8.484 -16.895 1.00 0.00 C ATOM 899 CG ASN A 80 -9.247 7.921 -18.157 1.00 0.00 C ATOM 900 OD1 ASN A 80 -9.793 6.821 -18.160 1.00 0.00 O ATOM 901 ND2 ASN A 80 -9.154 8.668 -19.237 1.00 0.00 N ATOM 0 H ASN A 80 -8.257 9.370 -14.494 1.00 0.00 H new ATOM 0 HA ASN A 80 -10.078 10.061 -16.709 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.785 9.113 -17.158 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.250 7.666 -16.287 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.544 8.339 -20.120 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.692 9.576 -19.191 1.00 0.00 H new ATOM 908 N LYS A 81 -10.599 8.032 -14.262 1.00 0.00 N ATOM 909 CA LYS A 81 -11.548 7.156 -13.577 1.00 0.00 C ATOM 910 C LYS A 81 -11.560 5.771 -14.230 1.00 0.00 C ATOM 911 O LYS A 81 -12.564 5.062 -14.219 1.00 0.00 O ATOM 912 CB LYS A 81 -12.956 7.778 -13.555 1.00 0.00 C ATOM 913 CG LYS A 81 -13.881 7.182 -12.498 1.00 0.00 C ATOM 914 CD LYS A 81 -15.210 7.921 -12.436 1.00 0.00 C ATOM 915 CE LYS A 81 -16.036 7.708 -13.694 1.00 0.00 C ATOM 916 NZ LYS A 81 -16.480 6.297 -13.842 1.00 0.00 N ATOM 0 H LYS A 81 -9.823 8.333 -13.673 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.227 7.040 -12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.866 8.850 -13.381 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.413 7.652 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.059 6.130 -12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.395 7.224 -11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.775 7.580 -11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.027 8.987 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.908 8.361 -13.669 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.448 7.995 -14.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.200 6.236 -14.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.666 5.702 -14.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.886 5.965 -12.944 1.00 0.00 H new ATOM 919 N ASN A 82 -10.421 5.395 -14.782 1.00 0.00 N ATOM 920 CA ASN A 82 -10.250 4.101 -15.418 1.00 0.00 C ATOM 921 C ASN A 82 -10.022 3.022 -14.370 1.00 0.00 C ATOM 922 O ASN A 82 -9.243 3.217 -13.439 1.00 0.00 O ATOM 923 CB ASN A 82 -9.048 4.137 -16.366 1.00 0.00 C ATOM 924 CG ASN A 82 -8.882 2.841 -17.137 1.00 0.00 C ATOM 925 OD1 ASN A 82 -8.183 1.930 -16.701 1.00 0.00 O ATOM 926 ND2 ASN A 82 -9.522 2.752 -18.285 1.00 0.00 N ATOM 0 H ASN A 82 -9.586 5.980 -14.802 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.155 3.873 -15.981 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.167 4.962 -17.068 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -8.142 4.334 -15.793 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.447 1.904 -18.846 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.093 3.531 -18.612 1.00 0.00 H new ATOM 933 N ILE A 83 -10.710 1.900 -14.504 1.00 0.00 N ATOM 934 CA ILE A 83 -10.512 0.789 -13.593 1.00 0.00 C ATOM 935 C ILE A 83 -9.152 0.123 -13.870 1.00 0.00 C ATOM 936 O ILE A 83 -9.008 -0.725 -14.759 1.00 0.00 O ATOM 937 CB ILE A 83 -11.680 -0.243 -13.662 1.00 0.00 C ATOM 938 CG1 ILE A 83 -11.394 -1.465 -12.776 1.00 0.00 C ATOM 939 CG2 ILE A 83 -11.973 -0.662 -15.098 1.00 0.00 C ATOM 940 CD1 ILE A 83 -11.276 -1.140 -11.301 1.00 0.00 C ATOM 0 H ILE A 83 -11.406 1.736 -15.231 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.510 1.181 -12.576 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.573 0.249 -13.276 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -12.191 -2.196 -12.914 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.469 -1.935 -13.110 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.792 -1.381 -15.107 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.253 0.214 -15.683 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.084 -1.119 -15.532 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -11.074 -2.054 -10.742 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.460 -0.433 -11.148 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -12.209 -0.699 -10.950 1.00 0.00 H new ATOM 951 N ILE A 84 -8.161 0.544 -13.113 1.00 0.00 N ATOM 952 CA ILE A 84 -6.793 0.098 -13.292 1.00 0.00 C ATOM 953 C ILE A 84 -6.599 -1.336 -12.827 1.00 0.00 C ATOM 954 O ILE A 84 -6.138 -2.187 -13.595 1.00 0.00 O ATOM 955 CB ILE A 84 -5.821 1.057 -12.562 1.00 0.00 C ATOM 956 CG1 ILE A 84 -5.967 2.458 -13.158 1.00 0.00 C ATOM 957 CG2 ILE A 84 -4.372 0.573 -12.660 1.00 0.00 C ATOM 958 CD1 ILE A 84 -5.212 3.525 -12.420 1.00 0.00 C ATOM 0 H ILE A 84 -8.282 1.210 -12.350 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.570 0.118 -14.359 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.077 1.079 -11.503 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.625 2.437 -14.193 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.024 2.724 -13.177 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.719 1.271 -12.136 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.287 -0.414 -12.206 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.077 0.517 -13.708 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.370 4.487 -12.909 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.569 3.578 -11.391 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.148 3.287 -12.423 1.00 0.00 H new ATOM 969 N ALA A 85 -6.949 -1.616 -11.586 1.00 0.00 N ATOM 970 CA ALA A 85 -6.802 -2.972 -11.065 1.00 0.00 C ATOM 971 C ALA A 85 -7.767 -3.243 -9.927 1.00 0.00 C ATOM 972 O ALA A 85 -8.033 -2.372 -9.119 1.00 0.00 O ATOM 973 CB ALA A 85 -5.370 -3.211 -10.603 1.00 0.00 C ATOM 0 H ALA A 85 -7.331 -0.939 -10.925 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.038 -3.662 -11.875 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.277 -4.226 -10.217 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.689 -3.078 -11.444 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.118 -2.500 -9.817 1.00 0.00 H new ATOM 979 N GLU A 86 -8.299 -4.449 -9.882 1.00 0.00 N ATOM 980 CA GLU A 86 -9.169 -4.857 -8.793 1.00 0.00 C ATOM 981 C GLU A 86 -8.921 -6.315 -8.434 1.00 0.00 C ATOM 982 O GLU A 86 -8.640 -7.149 -9.305 1.00 0.00 O ATOM 983 CB GLU A 86 -10.650 -4.624 -9.127 1.00 0.00 C ATOM 984 CG GLU A 86 -11.169 -5.435 -10.302 1.00 0.00 C ATOM 985 CD GLU A 86 -12.649 -5.227 -10.539 1.00 0.00 C ATOM 986 OE1 GLU A 86 -13.464 -5.914 -9.885 1.00 0.00 O ATOM 987 OE2 GLU A 86 -13.009 -4.376 -11.378 1.00 0.00 O ATOM 0 H GLU A 86 -8.144 -5.167 -10.590 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.930 -4.237 -7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.249 -4.860 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.799 -3.565 -9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.618 -5.160 -11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.978 -6.493 -10.122 1.00 0.00 H new ATOM 990 N HIS A 87 -8.993 -6.609 -7.153 1.00 0.00 N ATOM 991 CA HIS A 87 -8.784 -7.956 -6.635 1.00 0.00 C ATOM 992 C HIS A 87 -9.591 -8.130 -5.368 1.00 0.00 C ATOM 993 O HIS A 87 -10.038 -7.146 -4.776 1.00 0.00 O ATOM 994 CB HIS A 87 -7.293 -8.209 -6.317 1.00 0.00 C ATOM 995 CG HIS A 87 -6.407 -8.372 -7.518 1.00 0.00 C ATOM 996 ND1 HIS A 87 -5.589 -7.367 -7.996 1.00 0.00 N ATOM 997 CD2 HIS A 87 -6.201 -9.437 -8.330 1.00 0.00 C ATOM 998 CE1 HIS A 87 -4.922 -7.807 -9.046 1.00 0.00 C ATOM 999 NE2 HIS A 87 -5.273 -9.057 -9.269 1.00 0.00 N ATOM 0 H HIS A 87 -9.200 -5.918 -6.431 1.00 0.00 H new ATOM 0 HA HIS A 87 -9.102 -8.669 -7.396 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.919 -7.379 -5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.215 -9.106 -5.702 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.677 -10.403 -8.253 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.209 -7.239 -9.625 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -4.913 -9.648 -10.019 1.00 0.00 H new ATOM 1004 N GLU A 88 -9.790 -9.359 -4.949 1.00 0.00 N ATOM 1005 CA GLU A 88 -10.485 -9.600 -3.706 1.00 0.00 C ATOM 1006 C GLU A 88 -9.579 -9.200 -2.548 1.00 0.00 C ATOM 1007 O GLU A 88 -8.355 -9.189 -2.689 1.00 0.00 O ATOM 1008 CB GLU A 88 -10.908 -11.068 -3.579 1.00 0.00 C ATOM 1009 CG GLU A 88 -9.750 -12.047 -3.508 1.00 0.00 C ATOM 1010 CD GLU A 88 -10.205 -13.467 -3.279 1.00 0.00 C ATOM 1011 OE1 GLU A 88 -10.668 -13.774 -2.167 1.00 0.00 O ATOM 1012 OE2 GLU A 88 -10.098 -14.286 -4.210 1.00 0.00 O ATOM 0 H GLU A 88 -9.485 -10.197 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.394 -8.999 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.520 -11.182 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.537 -11.328 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.179 -11.997 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.077 -11.751 -2.703 1.00 0.00 H new ATOM 1015 N ILE A 89 -10.165 -8.869 -1.417 1.00 0.00 N ATOM 1016 CA ILE A 89 -9.383 -8.461 -0.257 1.00 0.00 C ATOM 1017 C ILE A 89 -8.429 -9.584 0.183 1.00 0.00 C ATOM 1018 O ILE A 89 -7.282 -9.334 0.566 1.00 0.00 O ATOM 1019 CB ILE A 89 -10.303 -8.032 0.927 1.00 0.00 C ATOM 1020 CG1 ILE A 89 -9.474 -7.670 2.164 1.00 0.00 C ATOM 1021 CG2 ILE A 89 -11.328 -9.115 1.254 1.00 0.00 C ATOM 1022 CD1 ILE A 89 -8.571 -6.469 1.967 1.00 0.00 C ATOM 0 H ILE A 89 -11.174 -8.872 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.788 -7.596 -0.550 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.849 -7.142 0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.149 -7.472 2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.864 -8.529 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.954 -8.785 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.952 -9.301 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.811 -10.033 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.017 -6.276 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.870 -6.670 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.175 -5.597 1.717 1.00 0.00 H new ATOM 1033 N ARG A 90 -8.893 -10.820 0.056 1.00 0.00 N ATOM 1034 CA ARG A 90 -8.119 -11.985 0.458 1.00 0.00 C ATOM 1035 C ARG A 90 -6.927 -12.211 -0.488 1.00 0.00 C ATOM 1036 O ARG A 90 -6.057 -13.043 -0.222 1.00 0.00 O ATOM 1037 CB ARG A 90 -9.026 -13.218 0.486 1.00 0.00 C ATOM 1038 CG ARG A 90 -8.457 -14.407 1.242 1.00 0.00 C ATOM 1039 CD ARG A 90 -8.200 -14.062 2.698 1.00 0.00 C ATOM 1040 NE ARG A 90 -7.865 -15.242 3.492 1.00 0.00 N ATOM 1041 CZ ARG A 90 -7.207 -15.207 4.654 1.00 0.00 C ATOM 1042 NH1 ARG A 90 -6.769 -14.050 5.138 1.00 0.00 N ATOM 1043 NH2 ARG A 90 -6.990 -16.329 5.328 1.00 0.00 N ATOM 0 H ARG A 90 -9.812 -11.042 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.719 -11.811 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.979 -12.941 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.234 -13.523 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.151 -15.245 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.527 -14.728 0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.386 -13.340 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.084 -13.582 3.118 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.153 -16.153 3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.935 -13.186 4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.267 -14.026 6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.326 -17.219 4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.488 -16.302 6.215 1.00 0.00 H new ATOM 1046 N ASN A 91 -6.891 -11.460 -1.585 1.00 0.00 N ATOM 1047 CA ASN A 91 -5.802 -11.565 -2.547 1.00 0.00 C ATOM 1048 C ASN A 91 -4.575 -10.825 -2.032 1.00 0.00 C ATOM 1049 O ASN A 91 -3.445 -11.102 -2.447 1.00 0.00 O ATOM 1050 CB ASN A 91 -6.225 -11.011 -3.917 1.00 0.00 C ATOM 1051 CG ASN A 91 -5.136 -11.142 -4.972 1.00 0.00 C ATOM 1052 OD1 ASN A 91 -4.317 -10.242 -5.154 1.00 0.00 O ATOM 1053 ND2 ASN A 91 -5.130 -12.259 -5.680 1.00 0.00 N ATOM 0 H ASN A 91 -7.604 -10.773 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.553 -12.619 -2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.117 -11.537 -4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.496 -9.961 -3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.429 -12.398 -6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.826 -12.982 -5.498 1.00 0.00 H new ATOM 1060 N ILE A 92 -4.796 -9.889 -1.114 1.00 0.00 N ATOM 1061 CA ILE A 92 -3.696 -9.145 -0.540 1.00 0.00 C ATOM 1062 C ILE A 92 -2.975 -10.016 0.474 1.00 0.00 C ATOM 1063 O ILE A 92 -3.557 -10.440 1.472 1.00 0.00 O ATOM 1064 CB ILE A 92 -4.166 -7.828 0.123 1.00 0.00 C ATOM 1065 CG1 ILE A 92 -5.007 -7.012 -0.865 1.00 0.00 C ATOM 1066 CG2 ILE A 92 -2.964 -7.011 0.593 1.00 0.00 C ATOM 1067 CD1 ILE A 92 -5.432 -5.661 -0.338 1.00 0.00 C ATOM 0 H ILE A 92 -5.718 -9.635 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.016 -8.872 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.780 -8.073 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.436 -6.870 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.896 -7.584 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.311 -6.088 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.392 -7.589 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.330 -6.772 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.023 -5.145 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.032 -5.794 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.548 -5.068 -0.101 1.00 0.00 H new ATOM 1078 N SER A 93 -1.724 -10.304 0.195 1.00 0.00 N ATOM 1079 CA SER A 93 -0.940 -11.186 1.036 1.00 0.00 C ATOM 1080 C SER A 93 -0.206 -10.430 2.144 1.00 0.00 C ATOM 1081 O SER A 93 0.051 -10.983 3.212 1.00 0.00 O ATOM 1082 CB SER A 93 0.040 -11.989 0.176 1.00 0.00 C ATOM 1083 OG SER A 93 0.739 -11.147 -0.745 1.00 0.00 O ATOM 0 H SER A 93 -1.222 -9.938 -0.614 1.00 0.00 H new ATOM 0 HA SER A 93 -1.627 -11.872 1.531 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.756 -12.500 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.502 -12.759 -0.373 1.00 0.00 H new ATOM 0 HG SER A 93 0.446 -10.219 -0.627 1.00 0.00 H new ATOM 1089 N CYS A 94 0.126 -9.170 1.900 1.00 0.00 N ATOM 1090 CA CYS A 94 0.838 -8.385 2.897 1.00 0.00 C ATOM 1091 C CYS A 94 0.524 -6.905 2.749 1.00 0.00 C ATOM 1092 O CYS A 94 0.238 -6.430 1.650 1.00 0.00 O ATOM 1093 CB CYS A 94 2.354 -8.627 2.785 1.00 0.00 C ATOM 1094 SG CYS A 94 3.348 -7.764 4.027 1.00 0.00 S ATOM 0 H CYS A 94 -0.083 -8.675 1.033 1.00 0.00 H new ATOM 0 HA CYS A 94 0.504 -8.705 3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.545 -9.697 2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.686 -8.318 1.794 1.00 0.00 H new ATOM 0 HG CYS A 94 4.604 -8.051 3.854 1.00 0.00 H new ATOM 1100 N ALA A 95 0.570 -6.191 3.856 1.00 0.00 N ATOM 1101 CA ALA A 95 0.322 -4.762 3.869 1.00 0.00 C ATOM 1102 C ALA A 95 1.348 -4.077 4.753 1.00 0.00 C ATOM 1103 O ALA A 95 1.478 -4.409 5.932 1.00 0.00 O ATOM 1104 CB ALA A 95 -1.091 -4.472 4.361 1.00 0.00 C ATOM 0 H ALA A 95 0.781 -6.585 4.773 1.00 0.00 H new ATOM 0 HA ALA A 95 0.413 -4.373 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.261 -3.395 4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.812 -4.951 3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.212 -4.862 5.372 1.00 0.00 H new ATOM 1110 N ALA A 96 2.084 -3.139 4.183 1.00 0.00 N ATOM 1111 CA ALA A 96 3.122 -2.439 4.913 1.00 0.00 C ATOM 1112 C ALA A 96 3.358 -1.053 4.328 1.00 0.00 C ATOM 1113 O ALA A 96 2.585 -0.582 3.498 1.00 0.00 O ATOM 1114 CB ALA A 96 4.401 -3.254 4.880 1.00 0.00 C ATOM 0 H ALA A 96 1.980 -2.845 3.212 1.00 0.00 H new ATOM 0 HA ALA A 96 2.801 -2.314 5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.182 -2.728 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.225 -4.226 5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.716 -3.395 3.846 1.00 0.00 H new ATOM 1120 N GLN A 97 4.423 -0.404 4.761 1.00 0.00 N ATOM 1121 CA GLN A 97 4.747 0.929 4.284 1.00 0.00 C ATOM 1122 C GLN A 97 6.241 1.200 4.412 1.00 0.00 C ATOM 1123 O GLN A 97 6.991 0.345 4.892 1.00 0.00 O ATOM 1124 CB GLN A 97 3.939 1.979 5.053 1.00 0.00 C ATOM 1125 CG GLN A 97 4.140 1.947 6.560 1.00 0.00 C ATOM 1126 CD GLN A 97 3.222 2.908 7.287 1.00 0.00 C ATOM 1127 OE1 GLN A 97 2.866 3.998 6.631 1.00 0.00 O flip ATOM 1128 NE2 GLN A 97 2.835 2.669 8.425 1.00 0.00 N flip ATOM 0 H GLN A 97 5.081 -0.779 5.444 1.00 0.00 H new ATOM 0 HA GLN A 97 4.482 0.992 3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 97 4.208 2.969 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.880 1.835 4.837 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.965 0.935 6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.176 2.194 6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.134 1.815 8.896 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.214 3.324 8.901 1.00 0.00 H new ATOM 1137 N ASP A 98 6.664 2.382 3.987 1.00 0.00 N ATOM 1138 CA ASP A 98 8.079 2.768 4.035 1.00 0.00 C ATOM 1139 C ASP A 98 8.529 3.004 5.490 1.00 0.00 C ATOM 1140 O ASP A 98 7.752 3.501 6.309 1.00 0.00 O ATOM 1141 CB ASP A 98 8.303 4.033 3.192 1.00 0.00 C ATOM 1142 CG ASP A 98 9.763 4.422 3.068 1.00 0.00 C ATOM 1143 OD1 ASP A 98 10.314 4.980 4.026 1.00 0.00 O ATOM 1144 OD2 ASP A 98 10.360 4.177 2.000 1.00 0.00 O ATOM 0 H ASP A 98 6.048 3.098 3.602 1.00 0.00 H new ATOM 0 HA ASP A 98 8.678 1.956 3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.891 3.874 2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.751 4.860 3.638 1.00 0.00 H new ATOM 1147 N PRO A 99 9.779 2.612 5.839 1.00 0.00 N ATOM 1148 CA PRO A 99 10.315 2.773 7.202 1.00 0.00 C ATOM 1149 C PRO A 99 10.561 4.235 7.608 1.00 0.00 C ATOM 1150 O PRO A 99 10.502 4.568 8.793 1.00 0.00 O ATOM 1151 CB PRO A 99 11.654 2.017 7.166 1.00 0.00 C ATOM 1152 CG PRO A 99 11.633 1.217 5.910 1.00 0.00 C ATOM 1153 CD PRO A 99 10.752 1.958 4.953 1.00 0.00 C ATOM 0 HA PRO A 99 9.601 2.398 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.495 2.710 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.763 1.373 8.038 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.638 1.104 5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.249 0.214 6.095 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.315 2.684 4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.266 1.284 4.247 1.00 0.00 H new ATOM 1161 N GLU A 100 10.844 5.101 6.647 1.00 0.00 N ATOM 1162 CA GLU A 100 11.132 6.492 6.971 1.00 0.00 C ATOM 1163 C GLU A 100 9.965 7.390 6.611 1.00 0.00 C ATOM 1164 O GLU A 100 9.680 8.368 7.302 1.00 0.00 O ATOM 1165 CB GLU A 100 12.417 6.973 6.276 1.00 0.00 C ATOM 1166 CG GLU A 100 12.300 7.141 4.771 1.00 0.00 C ATOM 1167 CD GLU A 100 13.606 7.531 4.122 1.00 0.00 C ATOM 1168 OE1 GLU A 100 14.062 8.678 4.329 1.00 0.00 O ATOM 1169 OE2 GLU A 100 14.188 6.699 3.401 1.00 0.00 O ATOM 0 H GLU A 100 10.881 4.873 5.654 1.00 0.00 H new ATOM 0 HA GLU A 100 11.288 6.551 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.715 7.927 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.216 6.262 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.946 6.208 4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.550 7.901 4.552 1.00 0.00 H new ATOM 1172 N ASP A 101 9.295 7.055 5.546 1.00 0.00 N ATOM 1173 CA ASP A 101 8.171 7.837 5.090 1.00 0.00 C ATOM 1174 C ASP A 101 6.885 7.054 5.257 1.00 0.00 C ATOM 1175 O ASP A 101 6.560 6.186 4.448 1.00 0.00 O ATOM 1176 CB ASP A 101 8.361 8.241 3.631 1.00 0.00 C ATOM 1177 CG ASP A 101 7.279 9.169 3.137 1.00 0.00 C ATOM 1178 OD1 ASP A 101 6.206 8.681 2.749 1.00 0.00 O ATOM 1179 OD2 ASP A 101 7.507 10.397 3.125 1.00 0.00 O ATOM 0 H ASP A 101 9.506 6.240 4.970 1.00 0.00 H new ATOM 0 HA ASP A 101 8.109 8.742 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.330 8.726 3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.377 7.346 3.010 1.00 0.00 H new ATOM 1182 N LEU A 102 6.146 7.361 6.307 1.00 0.00 N ATOM 1183 CA LEU A 102 4.908 6.654 6.585 1.00 0.00 C ATOM 1184 C LEU A 102 3.757 7.197 5.744 1.00 0.00 C ATOM 1185 O LEU A 102 2.599 6.859 5.968 1.00 0.00 O ATOM 1186 CB LEU A 102 4.559 6.690 8.082 1.00 0.00 C ATOM 1187 CG LEU A 102 5.443 5.828 9.000 1.00 0.00 C ATOM 1188 CD1 LEU A 102 6.805 6.470 9.229 1.00 0.00 C ATOM 1189 CD2 LEU A 102 4.740 5.561 10.324 1.00 0.00 C ATOM 0 H LEU A 102 6.379 8.092 6.979 1.00 0.00 H new ATOM 0 HA LEU A 102 5.064 5.612 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.614 7.724 8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.524 6.370 8.202 1.00 0.00 H new ATOM 0 HG LEU A 102 5.611 4.874 8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.402 5.833 9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.316 6.591 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.673 7.446 9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.381 4.950 10.960 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.531 6.508 10.822 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.804 5.034 10.139 1.00 0.00 H new ATOM 1201 N SER A 103 4.087 8.027 4.771 1.00 0.00 N ATOM 1202 CA SER A 103 3.104 8.567 3.862 1.00 0.00 C ATOM 1203 C SER A 103 3.069 7.694 2.608 1.00 0.00 C ATOM 1204 O SER A 103 2.177 7.803 1.778 1.00 0.00 O ATOM 1205 CB SER A 103 3.462 10.014 3.505 1.00 0.00 C ATOM 1206 OG SER A 103 2.368 10.699 2.910 1.00 0.00 O ATOM 0 H SER A 103 5.041 8.342 4.593 1.00 0.00 H new ATOM 0 HA SER A 103 2.120 8.568 4.330 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.776 10.543 4.405 1.00 0.00 H new ATOM 0 HB3 SER A 103 4.310 10.020 2.820 1.00 0.00 H new ATOM 0 HG SER A 103 2.362 10.529 1.945 1.00 0.00 H new ATOM 1212 N THR A 104 4.056 6.831 2.495 1.00 0.00 N ATOM 1213 CA THR A 104 4.165 5.913 1.387 1.00 0.00 C ATOM 1214 C THR A 104 3.780 4.509 1.845 1.00 0.00 C ATOM 1215 O THR A 104 4.430 3.934 2.724 1.00 0.00 O ATOM 1216 CB THR A 104 5.608 5.892 0.845 1.00 0.00 C ATOM 1217 OG1 THR A 104 6.052 7.236 0.586 1.00 0.00 O ATOM 1218 CG2 THR A 104 5.697 5.077 -0.434 1.00 0.00 C ATOM 0 H THR A 104 4.810 6.748 3.176 1.00 0.00 H new ATOM 0 HA THR A 104 3.492 6.242 0.595 1.00 0.00 H new ATOM 0 HB THR A 104 6.247 5.430 1.598 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.274 7.676 1.433 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.725 5.078 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.384 4.052 -0.235 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.046 5.515 -1.191 1.00 0.00 H new ATOM 1225 N PHE A 105 2.731 3.963 1.257 1.00 0.00 N ATOM 1226 CA PHE A 105 2.240 2.649 1.647 1.00 0.00 C ATOM 1227 C PHE A 105 2.458 1.635 0.535 1.00 0.00 C ATOM 1228 O PHE A 105 2.345 1.962 -0.650 1.00 0.00 O ATOM 1229 CB PHE A 105 0.755 2.712 2.051 1.00 0.00 C ATOM 1230 CG PHE A 105 -0.170 3.186 0.962 1.00 0.00 C ATOM 1231 CD1 PHE A 105 -0.318 4.538 0.695 1.00 0.00 C ATOM 1232 CD2 PHE A 105 -0.895 2.276 0.208 1.00 0.00 C ATOM 1233 CE1 PHE A 105 -1.167 4.973 -0.299 1.00 0.00 C ATOM 1234 CE2 PHE A 105 -1.746 2.705 -0.788 1.00 0.00 C ATOM 1235 CZ PHE A 105 -1.882 4.055 -1.042 1.00 0.00 C ATOM 0 H PHE A 105 2.201 4.407 0.507 1.00 0.00 H new ATOM 0 HA PHE A 105 2.811 2.323 2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 105 0.437 1.721 2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 105 0.653 3.375 2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.239 5.260 1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.792 1.219 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.273 6.029 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -2.305 1.986 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.548 4.393 -1.822 1.00 0.00 H new ATOM 1241 N ALA A 106 2.759 0.406 0.917 1.00 0.00 N ATOM 1242 CA ALA A 106 3.037 -0.647 -0.037 1.00 0.00 C ATOM 1243 C ALA A 106 2.323 -1.929 0.343 1.00 0.00 C ATOM 1244 O ALA A 106 2.534 -2.472 1.428 1.00 0.00 O ATOM 1245 CB ALA A 106 4.536 -0.889 -0.117 1.00 0.00 C ATOM 0 H ALA A 106 2.817 0.114 1.892 1.00 0.00 H new ATOM 0 HA ALA A 106 2.669 -0.331 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.739 -1.682 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.036 0.026 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 106 4.910 -1.184 0.863 1.00 0.00 H new ATOM 1251 N TYR A 107 1.477 -2.412 -0.536 1.00 0.00 N ATOM 1252 CA TYR A 107 0.772 -3.647 -0.288 1.00 0.00 C ATOM 1253 C TYR A 107 1.202 -4.709 -1.290 1.00 0.00 C ATOM 1254 O TYR A 107 1.463 -4.408 -2.464 1.00 0.00 O ATOM 1255 CB TYR A 107 -0.757 -3.438 -0.316 1.00 0.00 C ATOM 1256 CG TYR A 107 -1.302 -2.941 -1.636 1.00 0.00 C ATOM 1257 CD1 TYR A 107 -1.589 -3.827 -2.664 1.00 0.00 C ATOM 1258 CD2 TYR A 107 -1.528 -1.587 -1.855 1.00 0.00 C ATOM 1259 CE1 TYR A 107 -2.081 -3.385 -3.871 1.00 0.00 C ATOM 1260 CE2 TYR A 107 -2.024 -1.135 -3.061 1.00 0.00 C ATOM 1261 CZ TYR A 107 -2.296 -2.041 -4.065 1.00 0.00 C ATOM 1262 OH TYR A 107 -2.782 -1.599 -5.272 1.00 0.00 O ATOM 0 H TYR A 107 1.260 -1.969 -1.429 1.00 0.00 H new ATOM 0 HA TYR A 107 1.031 -3.993 0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.244 -4.382 -0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -1.027 -2.727 0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -1.423 -4.884 -2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -1.312 -0.878 -1.069 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -2.297 -4.089 -4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.198 -0.081 -3.217 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.742 -1.787 -5.327 1.00 0.00 H new ATOM 1268 N ILE A 108 1.293 -5.934 -0.828 1.00 0.00 N ATOM 1269 CA ILE A 108 1.707 -7.035 -1.666 1.00 0.00 C ATOM 1270 C ILE A 108 0.536 -7.948 -1.961 1.00 0.00 C ATOM 1271 O ILE A 108 -0.080 -8.506 -1.042 1.00 0.00 O ATOM 1272 CB ILE A 108 2.828 -7.863 -1.005 1.00 0.00 C ATOM 1273 CG1 ILE A 108 4.033 -6.982 -0.695 1.00 0.00 C ATOM 1274 CG2 ILE A 108 3.236 -9.022 -1.903 1.00 0.00 C ATOM 1275 CD1 ILE A 108 5.137 -7.706 0.040 1.00 0.00 C ATOM 0 H ILE A 108 1.083 -6.195 0.135 1.00 0.00 H new ATOM 0 HA ILE A 108 2.087 -6.605 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 108 2.447 -8.269 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.430 -6.582 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.707 -6.131 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.028 -9.595 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.375 -9.668 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.598 -8.635 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.962 -7.018 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.756 -8.083 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 108 5.491 -8.540 -0.565 1.00 0.00 H new ATOM 1286 N THR A 109 0.240 -8.104 -3.228 1.00 0.00 N ATOM 1287 CA THR A 109 -0.842 -8.962 -3.673 1.00 0.00 C ATOM 1288 C THR A 109 -0.281 -10.209 -4.345 1.00 0.00 C ATOM 1289 O THR A 109 0.882 -10.224 -4.773 1.00 0.00 O ATOM 1290 CB THR A 109 -1.773 -8.216 -4.654 1.00 0.00 C ATOM 1291 OG1 THR A 109 -0.988 -7.495 -5.619 1.00 0.00 O ATOM 1292 CG2 THR A 109 -2.684 -7.249 -3.910 1.00 0.00 C ATOM 0 H THR A 109 0.741 -7.640 -3.986 1.00 0.00 H new ATOM 0 HA THR A 109 -1.423 -9.253 -2.798 1.00 0.00 H new ATOM 0 HB THR A 109 -2.394 -8.953 -5.164 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.583 -7.025 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.330 -6.736 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.297 -7.801 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.079 -6.516 -3.376 1.00 0.00 H new ATOM 1299 N LYS A 110 -1.086 -11.251 -4.433 1.00 0.00 N ATOM 1300 CA LYS A 110 -0.645 -12.483 -5.057 1.00 0.00 C ATOM 1301 C LYS A 110 -1.248 -12.642 -6.452 1.00 0.00 C ATOM 1302 O LYS A 110 -2.461 -12.776 -6.607 1.00 0.00 O ATOM 1303 CB LYS A 110 -0.966 -13.702 -4.168 1.00 0.00 C ATOM 1304 CG LYS A 110 -2.436 -13.861 -3.800 1.00 0.00 C ATOM 1305 CD LYS A 110 -2.653 -15.079 -2.915 1.00 0.00 C ATOM 1306 CE LYS A 110 -4.123 -15.262 -2.564 1.00 0.00 C ATOM 1307 NZ LYS A 110 -4.949 -15.547 -3.765 1.00 0.00 N ATOM 0 H LYS A 110 -2.044 -11.269 -4.082 1.00 0.00 H new ATOM 0 HA LYS A 110 0.438 -12.430 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.636 -14.605 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.383 -13.627 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.783 -12.966 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.032 -13.957 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.286 -15.970 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.070 -14.973 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.227 -16.079 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.494 -14.362 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.894 -15.864 -3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.037 -14.684 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.495 -16.293 -4.329 1.00 0.00 H new ATOM 1310 N ASP A 111 -0.394 -12.598 -7.458 1.00 0.00 N ATOM 1311 CA ASP A 111 -0.833 -12.767 -8.834 1.00 0.00 C ATOM 1312 C ASP A 111 -0.527 -14.173 -9.305 1.00 0.00 C ATOM 1313 O ASP A 111 0.596 -14.478 -9.737 1.00 0.00 O ATOM 1314 CB ASP A 111 -0.181 -11.736 -9.755 1.00 0.00 C ATOM 1315 CG ASP A 111 -0.519 -11.962 -11.216 1.00 0.00 C ATOM 1316 OD1 ASP A 111 -1.661 -11.672 -11.624 1.00 0.00 O ATOM 1317 OD2 ASP A 111 0.365 -12.424 -11.971 1.00 0.00 O ATOM 0 H ASP A 111 0.609 -12.447 -7.350 1.00 0.00 H new ATOM 0 HA ASP A 111 -1.911 -12.607 -8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.504 -10.737 -9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.901 -11.772 -9.626 1.00 0.00 H new ATOM 1320 N LEU A 112 -1.523 -15.031 -9.214 1.00 0.00 N ATOM 1321 CA LEU A 112 -1.374 -16.436 -9.562 1.00 0.00 C ATOM 1322 C LEU A 112 -1.108 -16.623 -11.061 1.00 0.00 C ATOM 1323 O LEU A 112 -0.729 -17.707 -11.503 1.00 0.00 O ATOM 1324 CB LEU A 112 -2.611 -17.225 -9.121 1.00 0.00 C ATOM 1325 CG LEU A 112 -2.510 -18.748 -9.229 1.00 0.00 C ATOM 1326 CD1 LEU A 112 -1.329 -19.269 -8.422 1.00 0.00 C ATOM 1327 CD2 LEU A 112 -3.801 -19.394 -8.762 1.00 0.00 C ATOM 0 H LEU A 112 -2.459 -14.778 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.505 -16.824 -9.031 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.831 -16.968 -8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.460 -16.894 -9.718 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.348 -19.010 -10.275 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.276 -20.354 -8.513 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.407 -18.828 -8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.457 -18.999 -7.374 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.716 -20.478 -8.844 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.989 -19.122 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.627 -19.047 -9.383 1.00 0.00 H new ATOM 1339 N LYS A 113 -1.297 -15.559 -11.833 1.00 0.00 N ATOM 1340 CA LYS A 113 -1.019 -15.595 -13.259 1.00 0.00 C ATOM 1341 C LYS A 113 0.470 -15.796 -13.492 1.00 0.00 C ATOM 1342 O LYS A 113 0.877 -16.438 -14.459 1.00 0.00 O ATOM 1343 CB LYS A 113 -1.479 -14.302 -13.934 1.00 0.00 C ATOM 1344 CG LYS A 113 -2.985 -14.083 -13.904 1.00 0.00 C ATOM 1345 CD LYS A 113 -3.728 -15.088 -14.784 1.00 0.00 C ATOM 1346 CE LYS A 113 -3.379 -14.918 -16.259 1.00 0.00 C ATOM 1347 NZ LYS A 113 -3.714 -13.562 -16.760 1.00 0.00 N ATOM 0 H LYS A 113 -1.642 -14.661 -11.493 1.00 0.00 H new ATOM 0 HA LYS A 113 -1.569 -16.428 -13.696 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.991 -13.458 -13.447 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.145 -14.308 -14.971 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.343 -14.166 -12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.211 -13.071 -14.240 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.481 -16.101 -14.467 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.802 -14.965 -14.648 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.315 -15.104 -16.403 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.915 -15.663 -16.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.687 -13.559 -17.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.667 -13.299 -16.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.023 -12.876 -16.394 1.00 0.00 H new ATOM 1350 N SER A 114 1.274 -15.247 -12.599 1.00 0.00 N ATOM 1351 CA SER A 114 2.715 -15.385 -12.688 1.00 0.00 C ATOM 1352 C SER A 114 3.238 -16.222 -11.525 1.00 0.00 C ATOM 1353 O SER A 114 4.406 -16.608 -11.497 1.00 0.00 O ATOM 1354 CB SER A 114 3.370 -14.008 -12.695 1.00 0.00 C ATOM 1355 OG SER A 114 2.863 -13.200 -11.643 1.00 0.00 O ATOM 0 H SER A 114 0.951 -14.700 -11.801 1.00 0.00 H new ATOM 0 HA SER A 114 2.966 -15.895 -13.618 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.450 -14.114 -12.589 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.190 -13.520 -13.653 1.00 0.00 H new ATOM 0 HG SER A 114 2.094 -12.686 -11.967 1.00 0.00 H new ATOM 1361 N ASN A 115 2.350 -16.487 -10.565 1.00 0.00 N ATOM 1362 CA ASN A 115 2.668 -17.268 -9.366 1.00 0.00 C ATOM 1363 C ASN A 115 3.708 -16.541 -8.504 1.00 0.00 C ATOM 1364 O ASN A 115 4.517 -17.154 -7.811 1.00 0.00 O ATOM 1365 CB ASN A 115 3.139 -18.687 -9.735 1.00 0.00 C ATOM 1366 CG ASN A 115 3.246 -19.602 -8.524 1.00 0.00 C ATOM 1367 OD1 ASN A 115 2.538 -19.424 -7.532 1.00 0.00 O ATOM 1368 ND2 ASN A 115 4.116 -20.586 -8.600 1.00 0.00 N ATOM 0 H ASN A 115 1.383 -16.164 -10.597 1.00 0.00 H new ATOM 0 HA ASN A 115 1.757 -17.369 -8.777 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.444 -19.121 -10.453 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.110 -18.627 -10.227 1.00 0.00 H new ATOM 0 HD21 ASN A 115 4.222 -21.234 -7.820 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.684 -20.700 -9.439 1.00 0.00 H new ATOM 1375 N HIS A 116 3.671 -15.223 -8.545 1.00 0.00 N ATOM 1376 CA HIS A 116 4.567 -14.411 -7.740 1.00 0.00 C ATOM 1377 C HIS A 116 3.790 -13.334 -7.016 1.00 0.00 C ATOM 1378 O HIS A 116 2.573 -13.218 -7.182 1.00 0.00 O ATOM 1379 CB HIS A 116 5.688 -13.791 -8.588 1.00 0.00 C ATOM 1380 CG HIS A 116 6.760 -14.766 -8.979 1.00 0.00 C ATOM 1381 ND1 HIS A 116 6.888 -15.551 -10.073 1.00 0.00 N flip ATOM 1382 CD2 HIS A 116 7.865 -15.033 -8.189 1.00 0.00 C flip ATOM 1383 CE1 HIS A 116 8.051 -16.270 -9.926 1.00 0.00 C flip ATOM 1384 NE2 HIS A 116 8.619 -15.936 -8.782 1.00 0.00 N flip ATOM 0 H HIS A 116 3.028 -14.689 -9.129 1.00 0.00 H new ATOM 0 HA HIS A 116 5.037 -15.064 -7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 116 5.253 -13.362 -9.491 1.00 0.00 H new ATOM 0 HB3 HIS A 116 6.141 -12.971 -8.031 1.00 0.00 H new ATOM 0 HD1 HIS A 116 6.242 -15.600 -10.861 1.00 0.00 H new ATOM 0 HD2 HIS A 116 8.076 -14.573 -7.235 1.00 0.00 H new ATOM 0 HE1 HIS A 116 8.437 -16.991 -10.632 1.00 0.00 H new ATOM 1389 N HIS A 117 4.474 -12.559 -6.206 1.00 0.00 N ATOM 1390 CA HIS A 117 3.830 -11.508 -5.445 1.00 0.00 C ATOM 1391 C HIS A 117 4.289 -10.147 -5.934 1.00 0.00 C ATOM 1392 O HIS A 117 5.481 -9.923 -6.150 1.00 0.00 O ATOM 1393 CB HIS A 117 4.110 -11.666 -3.943 1.00 0.00 C ATOM 1394 CG HIS A 117 3.448 -12.868 -3.315 1.00 0.00 C ATOM 1395 ND1 HIS A 117 2.465 -12.774 -2.347 1.00 0.00 N ATOM 1396 CD2 HIS A 117 3.647 -14.194 -3.512 1.00 0.00 C ATOM 1397 CE1 HIS A 117 2.094 -13.986 -1.981 1.00 0.00 C ATOM 1398 NE2 HIS A 117 2.793 -14.863 -2.671 1.00 0.00 N ATOM 0 H HIS A 117 5.480 -12.635 -6.055 1.00 0.00 H new ATOM 0 HA HIS A 117 2.753 -11.587 -5.596 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.187 -11.737 -3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.774 -10.768 -3.425 1.00 0.00 H new ATOM 0 HD1 HIS A 117 2.086 -11.904 -1.974 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.347 -14.641 -4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 117 1.343 -14.219 -1.240 1.00 0.00 H new ATOM 1403 N TYR A 118 3.345 -9.252 -6.120 1.00 0.00 N ATOM 1404 CA TYR A 118 3.644 -7.922 -6.611 1.00 0.00 C ATOM 1405 C TYR A 118 3.400 -6.889 -5.537 1.00 0.00 C ATOM 1406 O TYR A 118 2.373 -6.919 -4.852 1.00 0.00 O ATOM 1407 CB TYR A 118 2.807 -7.600 -7.855 1.00 0.00 C ATOM 1408 CG TYR A 118 3.178 -8.423 -9.068 1.00 0.00 C ATOM 1409 CD1 TYR A 118 2.778 -9.746 -9.184 1.00 0.00 C ATOM 1410 CD2 TYR A 118 3.930 -7.875 -10.099 1.00 0.00 C ATOM 1411 CE1 TYR A 118 3.118 -10.498 -10.286 1.00 0.00 C ATOM 1412 CE2 TYR A 118 4.272 -8.623 -11.207 1.00 0.00 C ATOM 1413 CZ TYR A 118 3.863 -9.935 -11.294 1.00 0.00 C ATOM 1414 OH TYR A 118 4.203 -10.689 -12.393 1.00 0.00 O ATOM 0 H TYR A 118 2.356 -9.421 -5.938 1.00 0.00 H new ATOM 0 HA TYR A 118 4.698 -7.894 -6.887 1.00 0.00 H new ATOM 0 HB2 TYR A 118 1.754 -7.762 -7.625 1.00 0.00 H new ATOM 0 HB3 TYR A 118 2.922 -6.543 -8.095 1.00 0.00 H new ATOM 0 HD1 TYR A 118 2.190 -10.194 -8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 118 4.252 -6.846 -10.032 1.00 0.00 H new ATOM 0 HE1 TYR A 118 2.800 -11.528 -10.358 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.857 -8.182 -12.001 1.00 0.00 H new ATOM 0 HH TYR A 118 3.653 -11.499 -12.417 1.00 0.00 H new ATOM 1420 N CYS A 119 4.338 -5.990 -5.384 1.00 0.00 N ATOM 1421 CA CYS A 119 4.236 -4.949 -4.398 1.00 0.00 C ATOM 1422 C CYS A 119 3.808 -3.648 -5.052 1.00 0.00 C ATOM 1423 O CYS A 119 4.608 -2.976 -5.712 1.00 0.00 O ATOM 1424 CB CYS A 119 5.577 -4.770 -3.674 1.00 0.00 C ATOM 1425 SG CYS A 119 5.566 -3.511 -2.375 1.00 0.00 S ATOM 0 H CYS A 119 5.193 -5.960 -5.940 1.00 0.00 H new ATOM 0 HA CYS A 119 3.482 -5.233 -3.664 1.00 0.00 H new ATOM 0 HB2 CYS A 119 5.869 -5.724 -3.235 1.00 0.00 H new ATOM 0 HB3 CYS A 119 6.340 -4.510 -4.408 1.00 0.00 H new ATOM 0 HG CYS A 119 5.152 -2.382 -2.869 1.00 0.00 H new ATOM 1431 N HIS A 120 2.545 -3.304 -4.892 1.00 0.00 N ATOM 1432 CA HIS A 120 2.030 -2.060 -5.430 1.00 0.00 C ATOM 1433 C HIS A 120 2.126 -0.997 -4.360 1.00 0.00 C ATOM 1434 O HIS A 120 1.409 -1.041 -3.359 1.00 0.00 O ATOM 1435 CB HIS A 120 0.576 -2.202 -5.909 1.00 0.00 C ATOM 1436 CG HIS A 120 0.377 -3.180 -7.036 1.00 0.00 C ATOM 1437 ND1 HIS A 120 0.298 -2.806 -8.368 1.00 0.00 N ATOM 1438 CD2 HIS A 120 0.221 -4.527 -7.020 1.00 0.00 C ATOM 1439 CE1 HIS A 120 0.100 -3.877 -9.113 1.00 0.00 C ATOM 1440 NE2 HIS A 120 0.049 -4.933 -8.321 1.00 0.00 N ATOM 0 H HIS A 120 1.857 -3.868 -4.394 1.00 0.00 H new ATOM 0 HA HIS A 120 2.626 -1.780 -6.299 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -0.042 -2.510 -5.065 1.00 0.00 H new ATOM 0 HB3 HIS A 120 0.216 -1.224 -6.227 1.00 0.00 H new ATOM 0 HD2 HIS A 120 0.230 -5.162 -6.147 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -0.003 -3.888 -10.188 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -0.095 -5.895 -8.626 1.00 0.00 H new ATOM 1445 N VAL A 121 3.020 -0.064 -4.557 1.00 0.00 N ATOM 1446 CA VAL A 121 3.274 0.963 -3.577 1.00 0.00 C ATOM 1447 C VAL A 121 2.927 2.347 -4.112 1.00 0.00 C ATOM 1448 O VAL A 121 3.335 2.732 -5.224 1.00 0.00 O ATOM 1449 CB VAL A 121 4.741 0.902 -3.088 1.00 0.00 C ATOM 1450 CG1 VAL A 121 5.681 0.675 -4.252 1.00 0.00 C ATOM 1451 CG2 VAL A 121 5.127 2.162 -2.322 1.00 0.00 C ATOM 0 H VAL A 121 3.592 0.007 -5.398 1.00 0.00 H new ATOM 0 HA VAL A 121 2.624 0.776 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 121 4.828 0.059 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.708 0.635 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.433 -0.267 -4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.581 1.493 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 121 6.163 2.085 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.016 3.031 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.478 2.273 -1.453 1.00 0.00 H new ATOM 1461 N PHE A 122 2.158 3.084 -3.328 1.00 0.00 N ATOM 1462 CA PHE A 122 1.715 4.405 -3.712 1.00 0.00 C ATOM 1463 C PHE A 122 2.078 5.408 -2.633 1.00 0.00 C ATOM 1464 O PHE A 122 2.222 5.049 -1.456 1.00 0.00 O ATOM 1465 CB PHE A 122 0.194 4.432 -3.927 1.00 0.00 C ATOM 1466 CG PHE A 122 -0.358 3.292 -4.745 1.00 0.00 C ATOM 1467 CD1 PHE A 122 0.255 2.888 -5.913 1.00 0.00 C ATOM 1468 CD2 PHE A 122 -1.501 2.633 -4.337 1.00 0.00 C ATOM 1469 CE1 PHE A 122 -0.260 1.848 -6.657 1.00 0.00 C ATOM 1470 CE2 PHE A 122 -2.022 1.593 -5.078 1.00 0.00 C ATOM 1471 CZ PHE A 122 -1.399 1.201 -6.239 1.00 0.00 C ATOM 0 H PHE A 122 1.827 2.781 -2.412 1.00 0.00 H new ATOM 0 HA PHE A 122 2.211 4.668 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.295 4.429 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -0.072 5.370 -4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 122 1.149 3.393 -6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -1.994 2.936 -3.425 1.00 0.00 H new ATOM 0 HE1 PHE A 122 0.231 1.541 -7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -2.917 1.088 -4.747 1.00 0.00 H new ATOM 0 HZ PHE A 122 -1.803 0.386 -6.822 1.00 0.00 H new ATOM 1477 N THR A 123 2.222 6.650 -3.021 1.00 0.00 N ATOM 1478 CA THR A 123 2.531 7.692 -2.082 1.00 0.00 C ATOM 1479 C THR A 123 1.285 8.488 -1.748 1.00 0.00 C ATOM 1480 O THR A 123 0.672 9.101 -2.626 1.00 0.00 O ATOM 1481 CB THR A 123 3.611 8.646 -2.625 1.00 0.00 C ATOM 1482 OG1 THR A 123 3.223 9.143 -3.907 1.00 0.00 O ATOM 1483 CG2 THR A 123 4.939 7.934 -2.746 1.00 0.00 C ATOM 0 H THR A 123 2.129 6.963 -3.987 1.00 0.00 H new ATOM 0 HA THR A 123 2.915 7.212 -1.182 1.00 0.00 H new ATOM 0 HB THR A 123 3.717 9.476 -1.927 1.00 0.00 H new ATOM 0 HG1 THR A 123 3.976 9.619 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 123 5.689 8.625 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 123 5.249 7.572 -1.765 1.00 0.00 H new ATOM 0 HG23 THR A 123 4.839 7.090 -3.429 1.00 0.00 H new ATOM 1490 N ALA A 124 0.896 8.454 -0.500 1.00 0.00 N ATOM 1491 CA ALA A 124 -0.240 9.210 -0.045 1.00 0.00 C ATOM 1492 C ALA A 124 0.174 10.650 0.153 1.00 0.00 C ATOM 1493 O ALA A 124 1.351 10.935 0.383 1.00 0.00 O ATOM 1494 CB ALA A 124 -0.768 8.630 1.254 1.00 0.00 C ATOM 0 H ALA A 124 1.356 7.904 0.226 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.034 9.160 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -1.628 9.210 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.069 7.595 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 124 0.013 8.668 2.013 1.00 0.00 H new ATOM 1500 N PHE A 125 -0.771 11.556 0.061 1.00 0.00 N ATOM 1501 CA PHE A 125 -0.473 12.964 0.246 1.00 0.00 C ATOM 1502 C PHE A 125 -0.475 13.312 1.734 1.00 0.00 C ATOM 1503 O PHE A 125 -0.080 14.409 2.130 1.00 0.00 O ATOM 1504 CB PHE A 125 -1.482 13.837 -0.510 1.00 0.00 C ATOM 1505 CG PHE A 125 -1.645 13.472 -1.970 1.00 0.00 C ATOM 1506 CD1 PHE A 125 -0.538 13.284 -2.794 1.00 0.00 C ATOM 1507 CD2 PHE A 125 -2.910 13.317 -2.516 1.00 0.00 C ATOM 1508 CE1 PHE A 125 -0.696 12.952 -4.125 1.00 0.00 C ATOM 1509 CE2 PHE A 125 -3.070 12.985 -3.848 1.00 0.00 C ATOM 1510 CZ PHE A 125 -1.962 12.803 -4.653 1.00 0.00 C ATOM 0 H PHE A 125 -1.749 11.349 -0.140 1.00 0.00 H new ATOM 0 HA PHE A 125 0.519 13.163 -0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -2.452 13.762 -0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -1.169 14.879 -0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.456 13.399 -2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.781 13.457 -1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.171 12.809 -4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.062 12.868 -4.260 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.087 12.544 -5.694 1.00 0.00 H new ATOM 1516 N ASP A 126 -0.905 12.354 2.550 1.00 0.00 N ATOM 1517 CA ASP A 126 -0.985 12.534 3.993 1.00 0.00 C ATOM 1518 C ASP A 126 -0.584 11.248 4.723 1.00 0.00 C ATOM 1519 O ASP A 126 -1.000 10.145 4.338 1.00 0.00 O ATOM 1520 CB ASP A 126 -2.404 12.959 4.391 1.00 0.00 C ATOM 1521 CG ASP A 126 -2.603 13.018 5.890 1.00 0.00 C ATOM 1522 OD1 ASP A 126 -2.068 13.948 6.531 1.00 0.00 O ATOM 1523 OD2 ASP A 126 -3.303 12.147 6.430 1.00 0.00 O ATOM 0 H ASP A 126 -1.207 11.434 2.229 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.288 13.320 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -2.618 13.938 3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -3.121 12.259 3.962 1.00 0.00 H new ATOM 1526 N VAL A 127 0.225 11.394 5.769 1.00 0.00 N ATOM 1527 CA VAL A 127 0.709 10.253 6.551 1.00 0.00 C ATOM 1528 C VAL A 127 -0.440 9.509 7.228 1.00 0.00 C ATOM 1529 O VAL A 127 -0.525 8.282 7.152 1.00 0.00 O ATOM 1530 CB VAL A 127 1.740 10.696 7.618 1.00 0.00 C ATOM 1531 CG1 VAL A 127 2.175 9.516 8.478 1.00 0.00 C ATOM 1532 CG2 VAL A 127 2.947 11.339 6.955 1.00 0.00 C ATOM 0 H VAL A 127 0.563 12.298 6.099 1.00 0.00 H new ATOM 0 HA VAL A 127 1.197 9.577 5.850 1.00 0.00 H new ATOM 0 HB VAL A 127 1.262 11.432 8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.899 9.854 9.219 1.00 0.00 H new ATOM 0 HG12 VAL A 127 1.306 9.095 8.984 1.00 0.00 H new ATOM 0 HG13 VAL A 127 2.631 8.754 7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.662 11.645 7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 127 3.418 10.622 6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 127 2.628 12.213 6.387 1.00 0.00 H new ATOM 1542 N ASN A 128 -1.327 10.254 7.876 1.00 0.00 N ATOM 1543 CA ASN A 128 -2.478 9.660 8.561 1.00 0.00 C ATOM 1544 C ASN A 128 -3.350 8.906 7.562 1.00 0.00 C ATOM 1545 O ASN A 128 -3.886 7.842 7.865 1.00 0.00 O ATOM 1546 CB ASN A 128 -3.302 10.741 9.264 1.00 0.00 C ATOM 1547 CG ASN A 128 -4.444 10.175 10.095 1.00 0.00 C ATOM 1548 OD1 ASN A 128 -4.206 9.059 10.762 1.00 0.00 O flip ATOM 1549 ND2 ASN A 128 -5.523 10.764 10.159 1.00 0.00 N flip ATOM 0 H ASN A 128 -1.275 11.270 7.944 1.00 0.00 H new ATOM 0 HA ASN A 128 -2.110 8.961 9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -2.647 11.327 9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -3.708 11.423 8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -5.667 11.623 9.629 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -6.273 10.393 10.743 1.00 0.00 H new ATOM 1556 N LEU A 129 -3.479 9.474 6.373 1.00 0.00 N ATOM 1557 CA LEU A 129 -4.228 8.867 5.282 1.00 0.00 C ATOM 1558 C LEU A 129 -3.639 7.496 4.951 1.00 0.00 C ATOM 1559 O LEU A 129 -4.363 6.497 4.873 1.00 0.00 O ATOM 1560 CB LEU A 129 -4.186 9.807 4.055 1.00 0.00 C ATOM 1561 CG LEU A 129 -5.077 9.452 2.853 1.00 0.00 C ATOM 1562 CD1 LEU A 129 -5.297 10.687 1.991 1.00 0.00 C ATOM 1563 CD2 LEU A 129 -4.450 8.351 2.010 1.00 0.00 C ATOM 0 H LEU A 129 -3.064 10.375 6.136 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.268 8.724 5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -4.457 10.808 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -3.155 9.856 3.705 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.032 9.092 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.929 10.430 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -5.783 11.462 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -4.336 11.055 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -5.103 8.121 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -3.481 8.685 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -4.316 7.457 2.620 1.00 0.00 H new ATOM 1575 N ALA A 130 -2.321 7.453 4.772 1.00 0.00 N ATOM 1576 CA ALA A 130 -1.630 6.204 4.479 1.00 0.00 C ATOM 1577 C ALA A 130 -1.795 5.218 5.627 1.00 0.00 C ATOM 1578 O ALA A 130 -2.041 4.029 5.413 1.00 0.00 O ATOM 1579 CB ALA A 130 -0.158 6.461 4.209 1.00 0.00 C ATOM 0 H ALA A 130 -1.712 8.269 4.825 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.075 5.768 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 130 0.342 5.517 3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.056 7.130 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.298 6.920 5.086 1.00 0.00 H new ATOM 1585 N ALA A 131 -1.671 5.726 6.849 1.00 0.00 N ATOM 1586 CA ALA A 131 -1.822 4.912 8.045 1.00 0.00 C ATOM 1587 C ALA A 131 -3.224 4.315 8.122 1.00 0.00 C ATOM 1588 O ALA A 131 -3.396 3.155 8.509 1.00 0.00 O ATOM 1589 CB ALA A 131 -1.528 5.738 9.287 1.00 0.00 C ATOM 0 H ALA A 131 -1.464 6.707 7.035 1.00 0.00 H new ATOM 0 HA ALA A 131 -1.106 4.092 7.993 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -1.645 5.116 10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.506 6.114 9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.222 6.577 9.339 1.00 0.00 H new ATOM 1595 N GLU A 132 -4.222 5.111 7.747 1.00 0.00 N ATOM 1596 CA GLU A 132 -5.604 4.659 7.735 1.00 0.00 C ATOM 1597 C GLU A 132 -5.772 3.525 6.732 1.00 0.00 C ATOM 1598 O GLU A 132 -6.435 2.528 7.016 1.00 0.00 O ATOM 1599 CB GLU A 132 -6.547 5.812 7.384 1.00 0.00 C ATOM 1600 CG GLU A 132 -8.026 5.456 7.496 1.00 0.00 C ATOM 1601 CD GLU A 132 -8.447 5.152 8.918 1.00 0.00 C ATOM 1602 OE1 GLU A 132 -8.329 3.987 9.342 1.00 0.00 O ATOM 1603 OE2 GLU A 132 -8.899 6.078 9.620 1.00 0.00 O ATOM 0 H GLU A 132 -4.094 6.077 7.446 1.00 0.00 H new ATOM 0 HA GLU A 132 -5.858 4.297 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -6.335 6.655 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.339 6.142 6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.625 6.282 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.236 4.591 6.866 1.00 0.00 H new ATOM 1606 N ILE A 133 -5.160 3.681 5.560 1.00 0.00 N ATOM 1607 CA ILE A 133 -5.205 2.646 4.533 1.00 0.00 C ATOM 1608 C ILE A 133 -4.631 1.341 5.073 1.00 0.00 C ATOM 1609 O ILE A 133 -5.254 0.284 4.954 1.00 0.00 O ATOM 1610 CB ILE A 133 -4.437 3.065 3.254 1.00 0.00 C ATOM 1611 CG1 ILE A 133 -5.099 4.290 2.622 1.00 0.00 C ATOM 1612 CG2 ILE A 133 -4.379 1.911 2.255 1.00 0.00 C ATOM 1613 CD1 ILE A 133 -4.399 4.793 1.379 1.00 0.00 C ATOM 0 H ILE A 133 -4.629 4.512 5.300 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.251 2.502 4.263 1.00 0.00 H new ATOM 0 HB ILE A 133 -3.415 3.323 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -6.131 4.044 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -5.132 5.093 3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.835 2.227 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -3.868 1.062 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -5.392 1.619 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -4.928 5.663 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -3.375 5.072 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -4.389 4.007 0.624 1.00 0.00 H new ATOM 1624 N ILE A 134 -3.455 1.428 5.689 1.00 0.00 N ATOM 1625 CA ILE A 134 -2.800 0.262 6.276 1.00 0.00 C ATOM 1626 C ILE A 134 -3.690 -0.371 7.345 1.00 0.00 C ATOM 1627 O ILE A 134 -3.835 -1.595 7.398 1.00 0.00 O ATOM 1628 CB ILE A 134 -1.426 0.634 6.896 1.00 0.00 C ATOM 1629 CG1 ILE A 134 -0.483 1.175 5.817 1.00 0.00 C ATOM 1630 CG2 ILE A 134 -0.800 -0.567 7.602 1.00 0.00 C ATOM 1631 CD1 ILE A 134 -0.236 0.207 4.679 1.00 0.00 C ATOM 0 H ILE A 134 -2.934 2.298 5.795 1.00 0.00 H new ATOM 0 HA ILE A 134 -2.632 -0.456 5.473 1.00 0.00 H new ATOM 0 HB ILE A 134 -1.589 1.414 7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -0.900 2.097 5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 134 0.471 1.431 6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 134 0.161 -0.279 8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -1.462 -0.906 8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -0.652 -1.374 6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 134 0.441 0.661 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 134 0.211 -0.707 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -1.182 -0.031 4.192 1.00 0.00 H new ATOM 1642 N LEU A 135 -4.292 0.470 8.176 1.00 0.00 N ATOM 1643 CA LEU A 135 -5.186 0.007 9.226 1.00 0.00 C ATOM 1644 C LEU A 135 -6.366 -0.739 8.603 1.00 0.00 C ATOM 1645 O LEU A 135 -6.710 -1.839 9.031 1.00 0.00 O ATOM 1646 CB LEU A 135 -5.677 1.209 10.068 1.00 0.00 C ATOM 1647 CG LEU A 135 -6.319 0.895 11.438 1.00 0.00 C ATOM 1648 CD1 LEU A 135 -6.454 2.166 12.256 1.00 0.00 C ATOM 1649 CD2 LEU A 135 -7.686 0.239 11.278 1.00 0.00 C ATOM 0 H LEU A 135 -4.175 1.483 8.141 1.00 0.00 H new ATOM 0 HA LEU A 135 -4.651 -0.677 9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -4.829 1.873 10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.403 1.764 9.474 1.00 0.00 H new ATOM 0 HG LEU A 135 -5.665 0.195 11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.908 1.932 13.219 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -5.468 2.602 12.416 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -7.084 2.877 11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.108 0.032 12.262 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -8.350 0.910 10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -7.579 -0.695 10.726 1.00 0.00 H new ATOM 1661 N THR A 136 -6.960 -0.139 7.579 1.00 0.00 N ATOM 1662 CA THR A 136 -8.093 -0.737 6.891 1.00 0.00 C ATOM 1663 C THR A 136 -7.700 -2.084 6.274 1.00 0.00 C ATOM 1664 O THR A 136 -8.423 -3.068 6.409 1.00 0.00 O ATOM 1665 CB THR A 136 -8.635 0.194 5.784 1.00 0.00 C ATOM 1666 OG1 THR A 136 -8.783 1.525 6.301 1.00 0.00 O ATOM 1667 CG2 THR A 136 -9.989 -0.297 5.285 1.00 0.00 C ATOM 0 H THR A 136 -6.673 0.766 7.206 1.00 0.00 H new ATOM 0 HA THR A 136 -8.878 -0.892 7.631 1.00 0.00 H new ATOM 0 HB THR A 136 -7.927 0.191 4.955 1.00 0.00 H new ATOM 0 HG1 THR A 136 -7.925 1.995 6.246 1.00 0.00 H new ATOM 0 HG21 THR A 136 -10.354 0.372 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 136 -9.884 -1.303 4.880 1.00 0.00 H new ATOM 0 HG23 THR A 136 -10.698 -0.311 6.112 1.00 0.00 H new ATOM 1674 N LEU A 137 -6.542 -2.117 5.614 1.00 0.00 N ATOM 1675 CA LEU A 137 -6.041 -3.345 5.000 1.00 0.00 C ATOM 1676 C LEU A 137 -5.814 -4.413 6.059 1.00 0.00 C ATOM 1677 O LEU A 137 -6.193 -5.566 5.880 1.00 0.00 O ATOM 1678 CB LEU A 137 -4.733 -3.082 4.242 1.00 0.00 C ATOM 1679 CG LEU A 137 -4.830 -2.144 3.034 1.00 0.00 C ATOM 1680 CD1 LEU A 137 -3.449 -1.882 2.455 1.00 0.00 C ATOM 1681 CD2 LEU A 137 -5.747 -2.732 1.972 1.00 0.00 C ATOM 0 H LEU A 137 -5.934 -1.307 5.491 1.00 0.00 H new ATOM 0 HA LEU A 137 -6.791 -3.697 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -4.009 -2.666 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -4.335 -4.038 3.903 1.00 0.00 H new ATOM 0 HG LEU A 137 -5.253 -1.196 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.535 -1.214 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.818 -1.419 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -3.003 -2.824 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.803 -2.051 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -5.352 -3.693 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -6.744 -2.874 2.390 1.00 0.00 H new ATOM 1693 N GLY A 138 -5.198 -4.014 7.166 1.00 0.00 N ATOM 1694 CA GLY A 138 -4.937 -4.937 8.247 1.00 0.00 C ATOM 1695 C GLY A 138 -6.211 -5.480 8.855 1.00 0.00 C ATOM 1696 O GLY A 138 -6.338 -6.682 9.065 1.00 0.00 O ATOM 0 H GLY A 138 -4.874 -3.061 7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.331 -5.765 7.878 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.354 -4.435 9.019 1.00 0.00 H new ATOM 1700 N GLN A 139 -7.162 -4.592 9.122 1.00 0.00 N ATOM 1701 CA GLN A 139 -8.438 -4.982 9.708 1.00 0.00 C ATOM 1702 C GLN A 139 -9.198 -5.903 8.757 1.00 0.00 C ATOM 1703 O GLN A 139 -9.731 -6.931 9.175 1.00 0.00 O ATOM 1704 CB GLN A 139 -9.274 -3.729 10.051 1.00 0.00 C ATOM 1705 CG GLN A 139 -10.544 -4.001 10.870 1.00 0.00 C ATOM 1706 CD GLN A 139 -11.700 -4.540 10.038 1.00 0.00 C ATOM 1707 OE1 GLN A 139 -11.836 -4.223 8.859 1.00 0.00 O ATOM 1708 NE2 GLN A 139 -12.531 -5.363 10.647 1.00 0.00 N ATOM 0 H GLN A 139 -7.072 -3.592 8.941 1.00 0.00 H new ATOM 0 HA GLN A 139 -8.250 -5.529 10.632 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -8.645 -3.031 10.604 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -9.558 -3.234 9.122 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -10.311 -4.715 11.660 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -10.857 -3.078 11.357 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -12.385 -5.602 11.628 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -13.320 -5.760 10.137 1.00 0.00 H new ATOM 1717 N ALA A 140 -9.225 -5.536 7.480 1.00 0.00 N ATOM 1718 CA ALA A 140 -9.924 -6.314 6.466 1.00 0.00 C ATOM 1719 C ALA A 140 -9.276 -7.684 6.271 1.00 0.00 C ATOM 1720 O ALA A 140 -9.962 -8.690 6.107 1.00 0.00 O ATOM 1721 CB ALA A 140 -9.970 -5.547 5.155 1.00 0.00 C ATOM 0 H ALA A 140 -8.767 -4.698 7.122 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.945 -6.480 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -10.495 -6.139 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.494 -4.603 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.954 -5.348 4.814 1.00 0.00 H new ATOM 1727 N PHE A 141 -7.954 -7.715 6.292 1.00 0.00 N ATOM 1728 CA PHE A 141 -7.218 -8.963 6.162 1.00 0.00 C ATOM 1729 C PHE A 141 -7.442 -9.836 7.393 1.00 0.00 C ATOM 1730 O PHE A 141 -7.529 -11.063 7.298 1.00 0.00 O ATOM 1731 CB PHE A 141 -5.720 -8.682 5.972 1.00 0.00 C ATOM 1732 CG PHE A 141 -4.862 -9.917 5.958 1.00 0.00 C ATOM 1733 CD1 PHE A 141 -4.853 -10.757 4.859 1.00 0.00 C ATOM 1734 CD2 PHE A 141 -4.069 -10.237 7.048 1.00 0.00 C ATOM 1735 CE1 PHE A 141 -4.069 -11.892 4.847 1.00 0.00 C ATOM 1736 CE2 PHE A 141 -3.282 -11.369 7.041 1.00 0.00 C ATOM 1737 CZ PHE A 141 -3.283 -12.198 5.939 1.00 0.00 C ATOM 0 H PHE A 141 -7.366 -6.888 6.398 1.00 0.00 H new ATOM 0 HA PHE A 141 -7.584 -9.495 5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -5.578 -8.143 5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.380 -8.025 6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -5.466 -10.522 4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.067 -9.592 7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -4.070 -12.541 3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.666 -11.606 7.896 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.669 -13.086 5.931 1.00 0.00 H new ATOM 1743 N GLU A 142 -7.541 -9.193 8.540 1.00 0.00 N ATOM 1744 CA GLU A 142 -7.754 -9.884 9.794 1.00 0.00 C ATOM 1745 C GLU A 142 -9.174 -10.436 9.887 1.00 0.00 C ATOM 1746 O GLU A 142 -9.367 -11.597 10.224 1.00 0.00 O ATOM 1747 CB GLU A 142 -7.483 -8.944 10.967 1.00 0.00 C ATOM 1748 CG GLU A 142 -7.722 -9.566 12.328 1.00 0.00 C ATOM 1749 CD GLU A 142 -7.555 -8.575 13.450 1.00 0.00 C ATOM 1750 OE1 GLU A 142 -8.498 -7.794 13.705 1.00 0.00 O ATOM 1751 OE2 GLU A 142 -6.482 -8.571 14.089 1.00 0.00 O ATOM 0 H GLU A 142 -7.476 -8.179 8.628 1.00 0.00 H new ATOM 0 HA GLU A 142 -7.059 -10.723 9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -6.450 -8.602 10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -8.117 -8.063 10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -8.729 -9.983 12.362 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -7.029 -10.395 12.473 1.00 0.00 H new ATOM 1754 N VAL A 143 -10.164 -9.602 9.544 1.00 0.00 N ATOM 1755 CA VAL A 143 -11.586 -9.976 9.655 1.00 0.00 C ATOM 1756 C VAL A 143 -11.942 -11.148 8.729 1.00 0.00 C ATOM 1757 O VAL A 143 -13.032 -11.718 8.819 1.00 0.00 O ATOM 1758 CB VAL A 143 -12.526 -8.765 9.371 1.00 0.00 C ATOM 1759 CG1 VAL A 143 -12.576 -8.433 7.888 1.00 0.00 C ATOM 1760 CG2 VAL A 143 -13.928 -9.015 9.919 1.00 0.00 C ATOM 0 H VAL A 143 -10.009 -8.660 9.186 1.00 0.00 H new ATOM 0 HA VAL A 143 -11.741 -10.296 10.685 1.00 0.00 H new ATOM 0 HB VAL A 143 -12.109 -7.902 9.890 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -13.241 -7.584 7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -11.575 -8.182 7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -12.948 -9.295 7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -14.561 -8.153 9.706 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -14.351 -9.902 9.446 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -13.875 -9.169 10.997 1.00 0.00 H new ATOM 1770 N ALA A 144 -11.002 -11.521 7.869 1.00 0.00 N ATOM 1771 CA ALA A 144 -11.185 -12.630 6.946 1.00 0.00 C ATOM 1772 C ALA A 144 -11.355 -13.960 7.691 1.00 0.00 C ATOM 1773 O ALA A 144 -11.631 -14.992 7.074 1.00 0.00 O ATOM 1774 CB ALA A 144 -10.015 -12.709 5.979 1.00 0.00 C ATOM 0 H ALA A 144 -10.094 -11.063 7.793 1.00 0.00 H new ATOM 0 HA ALA A 144 -12.100 -12.448 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 144 -10.165 -13.543 5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 144 -9.949 -11.781 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 144 -9.091 -12.860 6.537 1.00 0.00 H new ATOM 1780 N TYR A 145 -11.175 -13.936 9.017 1.00 0.00 N ATOM 1781 CA TYR A 145 -11.372 -15.128 9.836 1.00 0.00 C ATOM 1782 C TYR A 145 -12.821 -15.606 9.745 1.00 0.00 C ATOM 1783 O TYR A 145 -13.095 -16.802 9.816 1.00 0.00 O ATOM 1784 CB TYR A 145 -10.974 -14.876 11.320 1.00 0.00 C ATOM 1785 CG TYR A 145 -11.744 -13.752 12.024 1.00 0.00 C ATOM 1786 CD1 TYR A 145 -13.053 -13.933 12.461 1.00 0.00 C ATOM 1787 CD2 TYR A 145 -11.151 -12.523 12.254 1.00 0.00 C ATOM 1788 CE1 TYR A 145 -13.743 -12.916 13.094 1.00 0.00 C ATOM 1789 CE2 TYR A 145 -11.831 -11.503 12.888 1.00 0.00 C ATOM 1790 CZ TYR A 145 -13.125 -11.703 13.304 1.00 0.00 C ATOM 1791 OH TYR A 145 -13.806 -10.683 13.932 1.00 0.00 O ATOM 0 H TYR A 145 -10.895 -13.106 9.540 1.00 0.00 H new ATOM 0 HA TYR A 145 -10.719 -15.909 9.446 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -11.120 -15.800 11.880 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -9.910 -14.644 11.359 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -13.538 -14.885 12.303 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -10.134 -12.358 11.930 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -14.760 -13.072 13.422 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -11.348 -10.552 13.056 1.00 0.00 H new ATOM 0 HH TYR A 145 -13.226 -9.897 14.002 1.00 0.00 H new ATOM 1797 N GLN A 146 -13.735 -14.658 9.554 1.00 0.00 N ATOM 1798 CA GLN A 146 -15.155 -14.950 9.490 1.00 0.00 C ATOM 1799 C GLN A 146 -15.521 -15.539 8.133 1.00 0.00 C ATOM 1800 O GLN A 146 -15.710 -16.764 8.050 1.00 0.00 O ATOM 1801 CB GLN A 146 -15.971 -13.679 9.763 1.00 0.00 C ATOM 1802 CG GLN A 146 -17.475 -13.912 9.838 1.00 0.00 C ATOM 1803 CD GLN A 146 -18.267 -12.634 10.068 1.00 0.00 C ATOM 1804 OE1 GLN A 146 -17.678 -11.679 10.769 1.00 0.00 O flip ATOM 1805 NE2 GLN A 146 -19.408 -12.511 9.620 1.00 0.00 N flip ATOM 0 H GLN A 146 -13.508 -13.670 9.440 1.00 0.00 H new ATOM 0 HA GLN A 146 -15.392 -15.687 10.257 1.00 0.00 H new ATOM 0 HB2 GLN A 146 -15.635 -13.238 10.702 1.00 0.00 H new ATOM 0 HB3 GLN A 146 -15.765 -12.952 8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 146 -17.811 -14.379 8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 146 -17.688 -14.614 10.644 1.00 0.00 H new ATOM 0 HE21 GLN A 146 -19.830 -13.269 9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 146 -19.931 -11.651 9.785 1.00 0.00 H new TER 1814 GLN A 146