USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 384 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 Single : A 1 GLY N :NH3+ -132:sc= 0.0453 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.7!) USER MOD Single : A 20 SER OG : rot -118:sc= 0.925 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -170:sc= -7! (180deg=-7.12!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -3.74! C(o=-3.7!,f=-5.1!) USER MOD Single : A 29 MET CE :methyl -150:sc= 0 (180deg=-1.2) USER MOD Single : A 33 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.3!) USER MOD Single : A 34 TYR OH : rot 166:sc= -0.997 USER MOD Single : A 35 ASN : amide:sc= -0.0516 K(o=-0.052,f=-0.84) USER MOD Single : A 37 ASN : amide:sc= -2.23! C(o=-2.2!,f=-9.4!) USER MOD Single : A 39 GLN : amide:sc= -0.0579 K(o=-0.058,f=-1.6!) USER MOD Single : A 44 THR OG1 : rot 6:sc= 0.477 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 49 ASN : amide:sc= -0.0577 X(o=-0.058,f=-0.46) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -138:sc= -0.0432 (180deg=-0.552) USER MOD Single : A 56 LYS NZ :NH3+ -97:sc=-0.00159 (180deg=-0.104) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 40:sc= 0.888 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.175 7.140 -19.064 1.00 0.00 N ATOM 2 CA GLY A 1 -5.072 7.896 -19.630 1.00 0.00 C ATOM 3 C GLY A 1 -3.801 7.046 -19.698 1.00 0.00 C ATOM 4 O GLY A 1 -3.872 5.832 -19.882 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.018 7.255 -19.663 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.918 6.133 -19.017 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.380 7.490 -18.106 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.337 8.240 -20.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.888 8.784 -19.026 1.00 0.00 H new ATOM 8 N SER A 2 -2.669 7.718 -19.546 1.00 0.00 N ATOM 9 CA SER A 2 -1.385 7.039 -19.587 1.00 0.00 C ATOM 10 C SER A 2 -1.289 6.030 -18.442 1.00 0.00 C ATOM 11 O SER A 2 -2.119 6.035 -17.534 1.00 0.00 O ATOM 12 CB SER A 2 -0.231 8.040 -19.511 1.00 0.00 C ATOM 13 OG SER A 2 -0.148 8.664 -18.233 1.00 0.00 O ATOM 0 H SER A 2 -2.614 8.725 -19.394 1.00 0.00 H new ATOM 0 HA SER A 2 -1.309 6.509 -20.536 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.707 7.528 -19.726 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.362 8.803 -20.279 1.00 0.00 H new ATOM 0 HG SER A 2 0.602 9.294 -18.225 1.00 0.00 H new ATOM 18 N SER A 3 -0.271 5.187 -18.521 1.00 0.00 N ATOM 19 CA SER A 3 -0.056 4.173 -17.503 1.00 0.00 C ATOM 20 C SER A 3 1.266 4.433 -16.777 1.00 0.00 C ATOM 21 O SER A 3 1.285 4.621 -15.562 1.00 0.00 O ATOM 22 CB SER A 3 -0.061 2.771 -18.111 1.00 0.00 C ATOM 23 OG SER A 3 0.173 1.762 -17.131 1.00 0.00 O ATOM 0 H SER A 3 0.415 5.185 -19.276 1.00 0.00 H new ATOM 0 HA SER A 3 -0.875 4.230 -16.786 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.020 2.590 -18.596 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.704 2.709 -18.885 1.00 0.00 H new ATOM 0 HG SER A 3 0.160 0.881 -17.559 1.00 0.00 H new ATOM 28 N GLY A 4 2.340 4.434 -17.554 1.00 0.00 N ATOM 29 CA GLY A 4 3.663 4.667 -17.001 1.00 0.00 C ATOM 30 C GLY A 4 4.690 3.712 -17.614 1.00 0.00 C ATOM 31 O GLY A 4 5.239 2.857 -16.921 1.00 0.00 O ATOM 0 H GLY A 4 2.320 4.277 -18.562 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.963 5.698 -17.188 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.638 4.534 -15.919 1.00 0.00 H new ATOM 35 N SER A 5 4.917 3.890 -18.908 1.00 0.00 N ATOM 36 CA SER A 5 5.868 3.054 -19.622 1.00 0.00 C ATOM 37 C SER A 5 6.127 3.631 -21.015 1.00 0.00 C ATOM 38 O SER A 5 5.244 3.617 -21.871 1.00 0.00 O ATOM 39 CB SER A 5 5.364 1.615 -19.729 1.00 0.00 C ATOM 40 OG SER A 5 6.422 0.668 -19.618 1.00 0.00 O ATOM 0 H SER A 5 4.459 4.600 -19.480 1.00 0.00 H new ATOM 0 HA SER A 5 6.802 3.042 -19.061 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.628 1.430 -18.946 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.855 1.479 -20.683 1.00 0.00 H new ATOM 0 HG SER A 5 6.058 -0.239 -19.690 1.00 0.00 H new ATOM 45 N SER A 6 7.342 4.125 -21.199 1.00 0.00 N ATOM 46 CA SER A 6 7.730 4.705 -22.474 1.00 0.00 C ATOM 47 C SER A 6 9.238 4.960 -22.497 1.00 0.00 C ATOM 48 O SER A 6 9.941 4.463 -23.375 1.00 0.00 O ATOM 49 CB SER A 6 6.968 6.006 -22.741 1.00 0.00 C ATOM 50 OG SER A 6 7.026 6.895 -21.629 1.00 0.00 O ATOM 0 H SER A 6 8.072 4.136 -20.486 1.00 0.00 H new ATOM 0 HA SER A 6 7.476 3.997 -23.263 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.385 6.497 -23.620 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.927 5.777 -22.968 1.00 0.00 H new ATOM 0 HG SER A 6 6.530 7.714 -21.839 1.00 0.00 H new ATOM 55 N GLY A 7 9.691 5.733 -21.521 1.00 0.00 N ATOM 56 CA GLY A 7 11.103 6.059 -21.417 1.00 0.00 C ATOM 57 C GLY A 7 11.504 6.303 -19.961 1.00 0.00 C ATOM 58 O GLY A 7 10.974 5.669 -19.052 1.00 0.00 O ATOM 0 H GLY A 7 9.104 6.143 -20.794 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.699 5.245 -21.831 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.320 6.947 -22.011 1.00 0.00 H new ATOM 62 N PRO A 8 12.464 7.251 -19.781 1.00 0.00 N ATOM 63 CA PRO A 8 12.943 7.587 -18.451 1.00 0.00 C ATOM 64 C PRO A 8 11.916 8.435 -17.697 1.00 0.00 C ATOM 65 O PRO A 8 10.906 8.844 -18.266 1.00 0.00 O ATOM 66 CB PRO A 8 14.259 8.313 -18.680 1.00 0.00 C ATOM 67 CG PRO A 8 14.240 8.765 -20.131 1.00 0.00 C ATOM 68 CD PRO A 8 13.116 8.023 -20.835 1.00 0.00 C ATOM 0 HA PRO A 8 13.091 6.709 -17.822 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.357 9.165 -18.007 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.106 7.655 -18.487 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.084 9.842 -20.193 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.196 8.553 -20.610 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.419 8.716 -21.307 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.502 7.373 -21.621 1.00 0.00 H new ATOM 73 N SER A 9 12.211 8.672 -16.427 1.00 0.00 N ATOM 74 CA SER A 9 11.326 9.463 -15.589 1.00 0.00 C ATOM 75 C SER A 9 10.762 10.640 -16.387 1.00 0.00 C ATOM 76 O SER A 9 11.422 11.158 -17.287 1.00 0.00 O ATOM 77 CB SER A 9 12.054 9.969 -14.343 1.00 0.00 C ATOM 78 OG SER A 9 11.148 10.320 -13.300 1.00 0.00 O ATOM 0 H SER A 9 13.050 8.330 -15.958 1.00 0.00 H new ATOM 0 HA SER A 9 10.504 8.825 -15.264 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.738 9.199 -13.985 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.659 10.837 -14.604 1.00 0.00 H new ATOM 0 HG SER A 9 11.652 10.637 -12.522 1.00 0.00 H new ATOM 83 N HIS A 10 9.545 11.027 -16.032 1.00 0.00 N ATOM 84 CA HIS A 10 8.885 12.132 -16.704 1.00 0.00 C ATOM 85 C HIS A 10 7.574 12.461 -15.986 1.00 0.00 C ATOM 86 O HIS A 10 6.494 12.163 -16.493 1.00 0.00 O ATOM 87 CB HIS A 10 8.686 11.825 -18.189 1.00 0.00 C ATOM 88 CG HIS A 10 9.130 12.934 -19.112 1.00 0.00 C ATOM 89 ND1 HIS A 10 10.341 12.914 -19.782 1.00 0.00 N ATOM 90 CD2 HIS A 10 8.513 14.097 -19.469 1.00 0.00 C ATOM 91 CE1 HIS A 10 10.438 14.019 -20.506 1.00 0.00 C ATOM 92 NE2 HIS A 10 9.304 14.752 -20.309 1.00 0.00 N ATOM 0 H HIS A 10 8.999 10.594 -15.287 1.00 0.00 H new ATOM 0 HA HIS A 10 9.517 13.019 -16.658 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.236 10.917 -18.438 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.631 11.618 -18.368 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.544 14.429 -19.126 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.268 14.292 -21.140 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.098 15.655 -20.737 1.00 0.00 H new ATOM 99 N SER A 11 7.713 13.069 -14.818 1.00 0.00 N ATOM 100 CA SER A 11 6.554 13.441 -14.025 1.00 0.00 C ATOM 101 C SER A 11 5.807 12.185 -13.569 1.00 0.00 C ATOM 102 O SER A 11 5.874 11.146 -14.225 1.00 0.00 O ATOM 103 CB SER A 11 5.617 14.357 -14.815 1.00 0.00 C ATOM 104 OG SER A 11 5.295 15.542 -14.091 1.00 0.00 O ATOM 0 H SER A 11 8.611 13.314 -14.401 1.00 0.00 H new ATOM 0 HA SER A 11 6.901 13.989 -13.149 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.086 14.626 -15.761 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.700 13.818 -15.055 1.00 0.00 H new ATOM 0 HG SER A 11 4.697 16.102 -14.629 1.00 0.00 H new ATOM 109 N LEU A 12 5.112 12.323 -12.449 1.00 0.00 N ATOM 110 CA LEU A 12 4.354 11.212 -11.899 1.00 0.00 C ATOM 111 C LEU A 12 5.302 10.047 -11.607 1.00 0.00 C ATOM 112 O LEU A 12 5.555 9.215 -12.477 1.00 0.00 O ATOM 113 CB LEU A 12 3.194 10.844 -12.825 1.00 0.00 C ATOM 114 CG LEU A 12 2.081 11.885 -12.952 1.00 0.00 C ATOM 115 CD1 LEU A 12 1.588 11.989 -14.397 1.00 0.00 C ATOM 116 CD2 LEU A 12 0.938 11.589 -11.978 1.00 0.00 C ATOM 0 H LEU A 12 5.058 13.186 -11.908 1.00 0.00 H new ATOM 0 HA LEU A 12 3.897 11.496 -10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.597 10.649 -13.819 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.754 9.912 -12.470 1.00 0.00 H new ATOM 0 HG LEU A 12 2.492 12.857 -12.681 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.797 12.736 -14.459 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.415 12.282 -15.043 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.200 11.023 -14.720 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.160 12.344 -12.089 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.522 10.605 -12.194 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.317 11.606 -10.956 1.00 0.00 H new ATOM 127 N GLN A 13 5.801 10.025 -10.380 1.00 0.00 N ATOM 128 CA GLN A 13 6.717 8.976 -9.964 1.00 0.00 C ATOM 129 C GLN A 13 5.946 7.692 -9.652 1.00 0.00 C ATOM 130 O GLN A 13 4.738 7.730 -9.418 1.00 0.00 O ATOM 131 CB GLN A 13 7.550 9.420 -8.760 1.00 0.00 C ATOM 132 CG GLN A 13 8.826 8.585 -8.637 1.00 0.00 C ATOM 133 CD GLN A 13 9.979 9.424 -8.083 1.00 0.00 C ATOM 134 OE1 GLN A 13 10.055 10.626 -8.276 1.00 0.00 O ATOM 135 NE2 GLN A 13 10.870 8.724 -7.386 1.00 0.00 N ATOM 0 H GLN A 13 5.589 10.716 -9.661 1.00 0.00 H new ATOM 0 HA GLN A 13 7.405 8.775 -10.786 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.809 10.474 -8.862 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.959 9.324 -7.849 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.645 7.732 -7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.099 8.185 -9.614 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.746 7.719 -7.263 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.678 9.192 -6.975 1.00 0.00 H new ATOM 142 N ALA A 14 6.674 6.584 -9.659 1.00 0.00 N ATOM 143 CA ALA A 14 6.073 5.292 -9.381 1.00 0.00 C ATOM 144 C ALA A 14 5.308 5.364 -8.057 1.00 0.00 C ATOM 145 O ALA A 14 5.623 6.186 -7.199 1.00 0.00 O ATOM 146 CB ALA A 14 7.160 4.215 -9.368 1.00 0.00 C ATOM 0 H ALA A 14 7.675 6.556 -9.853 1.00 0.00 H new ATOM 0 HA ALA A 14 5.359 5.026 -10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.709 3.245 -9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.653 4.184 -10.340 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.893 4.448 -8.596 1.00 0.00 H new ATOM 152 N PRO A 15 4.292 4.469 -7.931 1.00 0.00 N ATOM 153 CA PRO A 15 3.480 4.424 -6.727 1.00 0.00 C ATOM 154 C PRO A 15 4.245 3.771 -5.574 1.00 0.00 C ATOM 155 O PRO A 15 4.549 4.424 -4.577 1.00 0.00 O ATOM 156 CB PRO A 15 2.232 3.654 -7.123 1.00 0.00 C ATOM 157 CG PRO A 15 2.593 2.898 -8.392 1.00 0.00 C ATOM 158 CD PRO A 15 3.891 3.480 -8.927 1.00 0.00 C ATOM 0 HA PRO A 15 3.219 5.416 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.929 2.968 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.395 4.330 -7.296 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.709 1.835 -8.183 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.798 2.993 -9.132 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.651 2.708 -9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.746 3.939 -9.905 1.00 0.00 H new ATOM 163 N GLU A 16 4.534 2.489 -5.748 1.00 0.00 N ATOM 164 CA GLU A 16 5.258 1.741 -4.735 1.00 0.00 C ATOM 165 C GLU A 16 6.467 2.540 -4.247 1.00 0.00 C ATOM 166 O GLU A 16 6.785 2.529 -3.059 1.00 0.00 O ATOM 167 CB GLU A 16 5.683 0.370 -5.265 1.00 0.00 C ATOM 168 CG GLU A 16 6.257 0.485 -6.679 1.00 0.00 C ATOM 169 CD GLU A 16 5.445 -0.352 -7.670 1.00 0.00 C ATOM 170 OE1 GLU A 16 4.413 0.173 -8.142 1.00 0.00 O ATOM 171 OE2 GLU A 16 5.873 -1.497 -7.931 1.00 0.00 O ATOM 0 H GLU A 16 4.280 1.950 -6.576 1.00 0.00 H new ATOM 0 HA GLU A 16 4.592 1.576 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.428 -0.066 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.826 -0.304 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.255 1.529 -6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.295 0.153 -6.682 1.00 0.00 H new ATOM 176 N VAL A 17 7.109 3.215 -5.189 1.00 0.00 N ATOM 177 CA VAL A 17 8.278 4.019 -4.870 1.00 0.00 C ATOM 178 C VAL A 17 7.849 5.219 -4.023 1.00 0.00 C ATOM 179 O VAL A 17 8.582 5.646 -3.132 1.00 0.00 O ATOM 180 CB VAL A 17 9.002 4.422 -6.157 1.00 0.00 C ATOM 181 CG1 VAL A 17 10.162 5.374 -5.856 1.00 0.00 C ATOM 182 CG2 VAL A 17 9.487 3.190 -6.922 1.00 0.00 C ATOM 0 H VAL A 17 6.842 3.222 -6.173 1.00 0.00 H new ATOM 0 HA VAL A 17 8.990 3.443 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 17 8.291 4.950 -6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.661 5.646 -6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.779 6.273 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.874 4.882 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.998 3.505 -7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.176 2.622 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.633 2.564 -7.183 1.00 0.00 H new ATOM 192 N ARG A 18 6.666 5.728 -4.330 1.00 0.00 N ATOM 193 CA ARG A 18 6.132 6.870 -3.609 1.00 0.00 C ATOM 194 C ARG A 18 5.690 6.451 -2.206 1.00 0.00 C ATOM 195 O ARG A 18 6.103 7.052 -1.215 1.00 0.00 O ATOM 196 CB ARG A 18 4.942 7.483 -4.349 1.00 0.00 C ATOM 197 CG ARG A 18 4.645 8.893 -3.838 1.00 0.00 C ATOM 198 CD ARG A 18 3.414 9.481 -4.532 1.00 0.00 C ATOM 199 NE ARG A 18 3.780 9.976 -5.877 1.00 0.00 N ATOM 200 CZ ARG A 18 2.927 10.589 -6.709 1.00 0.00 C ATOM 201 NH1 ARG A 18 1.655 10.784 -6.340 1.00 0.00 N ATOM 202 NH2 ARG A 18 3.348 11.005 -7.912 1.00 0.00 N ATOM 0 H ARG A 18 6.061 5.370 -5.069 1.00 0.00 H new ATOM 0 HA ARG A 18 6.923 7.616 -3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.152 7.517 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.063 6.852 -4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.481 8.866 -2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.507 9.536 -4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.636 8.723 -4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.004 10.295 -3.935 1.00 0.00 H new ATOM 0 HE ARG A 18 4.741 9.842 -6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.335 10.466 -5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.006 11.251 -6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.317 10.855 -8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.699 11.472 -8.546 1.00 0.00 H new ATOM 213 N PHE A 19 4.854 5.423 -2.165 1.00 0.00 N ATOM 214 CA PHE A 19 4.351 4.917 -0.899 1.00 0.00 C ATOM 215 C PHE A 19 5.191 3.736 -0.408 1.00 0.00 C ATOM 216 O PHE A 19 4.704 2.893 0.344 1.00 0.00 O ATOM 217 CB PHE A 19 2.918 4.440 -1.145 1.00 0.00 C ATOM 218 CG PHE A 19 2.091 5.384 -2.021 1.00 0.00 C ATOM 219 CD1 PHE A 19 1.792 6.635 -1.579 1.00 0.00 C ATOM 220 CD2 PHE A 19 1.654 4.971 -3.241 1.00 0.00 C ATOM 221 CE1 PHE A 19 1.024 7.510 -2.391 1.00 0.00 C ATOM 222 CE2 PHE A 19 0.887 5.847 -4.053 1.00 0.00 C ATOM 223 CZ PHE A 19 0.587 7.098 -3.611 1.00 0.00 C ATOM 0 H PHE A 19 4.513 4.927 -2.988 1.00 0.00 H new ATOM 0 HA PHE A 19 4.395 5.700 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.949 3.457 -1.615 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.416 4.318 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.139 6.963 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.890 3.977 -3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.787 8.503 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.541 5.520 -5.023 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.002 7.764 -4.229 1.00 0.00 H new ATOM 232 N SER A 20 6.439 3.713 -0.852 1.00 0.00 N ATOM 233 CA SER A 20 7.351 2.650 -0.468 1.00 0.00 C ATOM 234 C SER A 20 7.449 2.570 1.057 1.00 0.00 C ATOM 235 O SER A 20 7.300 1.496 1.636 1.00 0.00 O ATOM 236 CB SER A 20 8.738 2.866 -1.078 1.00 0.00 C ATOM 237 OG SER A 20 9.045 4.250 -1.227 1.00 0.00 O ATOM 0 H SER A 20 6.840 4.414 -1.475 1.00 0.00 H new ATOM 0 HA SER A 20 6.958 1.708 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.490 2.394 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.787 2.377 -2.051 1.00 0.00 H new ATOM 0 HG SER A 20 9.172 4.457 -2.177 1.00 0.00 H new ATOM 242 N LYS A 21 7.697 3.722 1.663 1.00 0.00 N ATOM 243 CA LYS A 21 7.815 3.795 3.109 1.00 0.00 C ATOM 244 C LYS A 21 6.625 3.079 3.751 1.00 0.00 C ATOM 245 O LYS A 21 6.763 2.464 4.807 1.00 0.00 O ATOM 246 CB LYS A 21 7.975 5.249 3.561 1.00 0.00 C ATOM 247 CG LYS A 21 9.292 5.448 4.313 1.00 0.00 C ATOM 248 CD LYS A 21 9.107 5.215 5.813 1.00 0.00 C ATOM 249 CE LYS A 21 9.882 3.980 6.276 1.00 0.00 C ATOM 250 NZ LYS A 21 9.992 3.959 7.752 1.00 0.00 N ATOM 0 H LYS A 21 7.819 4.612 1.179 1.00 0.00 H new ATOM 0 HA LYS A 21 8.715 3.280 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.944 5.909 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.140 5.528 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.044 4.761 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.664 6.458 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.448 6.091 6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.048 5.089 6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.379 3.077 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.877 3.980 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.521 3.114 8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.492 4.812 8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.040 3.936 8.171 1.00 0.00 H new ATOM 260 N GLU A 22 5.484 3.184 3.087 1.00 0.00 N ATOM 261 CA GLU A 22 4.270 2.554 3.580 1.00 0.00 C ATOM 262 C GLU A 22 4.322 1.043 3.342 1.00 0.00 C ATOM 263 O GLU A 22 4.097 0.259 4.260 1.00 0.00 O ATOM 264 CB GLU A 22 3.030 3.170 2.929 1.00 0.00 C ATOM 265 CG GLU A 22 2.866 4.634 3.340 1.00 0.00 C ATOM 266 CD GLU A 22 3.442 5.570 2.275 1.00 0.00 C ATOM 267 OE1 GLU A 22 4.676 5.519 2.082 1.00 0.00 O ATOM 268 OE2 GLU A 22 2.635 6.316 1.679 1.00 0.00 O ATOM 0 H GLU A 22 5.374 3.696 2.212 1.00 0.00 H new ATOM 0 HA GLU A 22 4.202 2.731 4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.111 3.100 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.144 2.605 3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.810 4.857 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.369 4.807 4.292 1.00 0.00 H new ATOM 273 N MET A 23 4.620 0.683 2.101 1.00 0.00 N ATOM 274 CA MET A 23 4.703 -0.720 1.730 1.00 0.00 C ATOM 275 C MET A 23 5.532 -1.508 2.747 1.00 0.00 C ATOM 276 O MET A 23 5.165 -2.619 3.123 1.00 0.00 O ATOM 277 CB MET A 23 5.342 -0.844 0.345 1.00 0.00 C ATOM 278 CG MET A 23 4.470 -0.181 -0.722 1.00 0.00 C ATOM 279 SD MET A 23 2.842 -0.914 -0.721 1.00 0.00 S ATOM 280 CE MET A 23 3.117 -2.281 -1.835 1.00 0.00 C ATOM 0 H MET A 23 4.807 1.338 1.341 1.00 0.00 H new ATOM 0 HA MET A 23 3.694 -1.133 1.714 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.329 -0.381 0.353 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.486 -1.896 0.100 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.396 0.889 -0.530 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.930 -0.298 -1.703 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.162 -2.742 -2.088 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.598 -1.919 -2.744 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.760 -3.019 -1.354 1.00 0.00 H new ATOM 288 N GLU A 24 6.633 -0.900 3.164 1.00 0.00 N ATOM 289 CA GLU A 24 7.516 -1.531 4.131 1.00 0.00 C ATOM 290 C GLU A 24 6.818 -1.652 5.487 1.00 0.00 C ATOM 291 O GLU A 24 6.927 -2.679 6.154 1.00 0.00 O ATOM 292 CB GLU A 24 8.830 -0.758 4.258 1.00 0.00 C ATOM 293 CG GLU A 24 9.972 -1.501 3.561 1.00 0.00 C ATOM 294 CD GLU A 24 10.885 -2.184 4.580 1.00 0.00 C ATOM 295 OE1 GLU A 24 10.400 -3.138 5.227 1.00 0.00 O ATOM 296 OE2 GLU A 24 12.048 -1.738 4.691 1.00 0.00 O ATOM 0 H GLU A 24 6.934 0.023 2.850 1.00 0.00 H new ATOM 0 HA GLU A 24 7.755 -2.534 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.716 0.234 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.073 -0.616 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.563 -2.245 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.552 -0.801 2.959 1.00 0.00 H new ATOM 301 N CYS A 25 6.116 -0.590 5.853 1.00 0.00 N ATOM 302 CA CYS A 25 5.401 -0.565 7.117 1.00 0.00 C ATOM 303 C CYS A 25 4.318 -1.646 7.078 1.00 0.00 C ATOM 304 O CYS A 25 4.236 -2.480 7.978 1.00 0.00 O ATOM 305 CB CYS A 25 4.815 0.818 7.409 1.00 0.00 C ATOM 306 SG CYS A 25 5.231 1.326 9.117 1.00 0.00 S ATOM 0 H CYS A 25 6.027 0.260 5.296 1.00 0.00 H new ATOM 0 HA CYS A 25 6.093 -0.774 7.933 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.207 1.546 6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.733 0.798 7.280 1.00 0.00 H new ATOM 0 HG CYS A 25 4.731 2.502 9.354 1.00 0.00 H new ATOM 311 N LEU A 26 3.515 -1.597 6.025 1.00 0.00 N ATOM 312 CA LEU A 26 2.442 -2.561 5.856 1.00 0.00 C ATOM 313 C LEU A 26 2.988 -3.971 6.088 1.00 0.00 C ATOM 314 O LEU A 26 2.529 -4.680 6.983 1.00 0.00 O ATOM 315 CB LEU A 26 1.767 -2.379 4.497 1.00 0.00 C ATOM 316 CG LEU A 26 0.900 -1.128 4.339 1.00 0.00 C ATOM 317 CD1 LEU A 26 0.894 -0.642 2.889 1.00 0.00 C ATOM 318 CD2 LEU A 26 -0.515 -1.371 4.869 1.00 0.00 C ATOM 0 H LEU A 26 3.587 -0.904 5.280 1.00 0.00 H new ATOM 0 HA LEU A 26 1.661 -2.395 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.541 -2.360 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.146 -3.254 4.302 1.00 0.00 H new ATOM 0 HG LEU A 26 1.337 -0.332 4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.270 0.248 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.912 -0.402 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.496 -1.426 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.110 -0.466 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.976 -2.188 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.468 -1.632 5.926 1.00 0.00 H new ATOM 329 N GLN A 27 3.961 -4.338 5.266 1.00 0.00 N ATOM 330 CA GLN A 27 4.574 -5.650 5.369 1.00 0.00 C ATOM 331 C GLN A 27 4.880 -5.979 6.832 1.00 0.00 C ATOM 332 O GLN A 27 4.595 -7.081 7.296 1.00 0.00 O ATOM 333 CB GLN A 27 5.839 -5.733 4.512 1.00 0.00 C ATOM 334 CG GLN A 27 5.603 -6.592 3.268 1.00 0.00 C ATOM 335 CD GLN A 27 5.940 -8.060 3.543 1.00 0.00 C ATOM 336 OE1 GLN A 27 6.195 -8.465 4.665 1.00 0.00 O ATOM 337 NE2 GLN A 27 5.928 -8.830 2.458 1.00 0.00 N ATOM 0 H GLN A 27 4.340 -3.748 4.525 1.00 0.00 H new ATOM 0 HA GLN A 27 3.869 -6.390 4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.147 -4.731 4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.654 -6.155 5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.562 -6.507 2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.215 -6.223 2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.706 -8.426 1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.141 -9.824 2.536 1.00 0.00 H new ATOM 344 N ALA A 28 5.457 -5.002 7.516 1.00 0.00 N ATOM 345 CA ALA A 28 5.805 -5.175 8.917 1.00 0.00 C ATOM 346 C ALA A 28 4.602 -5.743 9.670 1.00 0.00 C ATOM 347 O ALA A 28 4.726 -6.732 10.391 1.00 0.00 O ATOM 348 CB ALA A 28 6.276 -3.838 9.494 1.00 0.00 C ATOM 0 H ALA A 28 5.692 -4.089 7.127 1.00 0.00 H new ATOM 0 HA ALA A 28 6.626 -5.884 9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.537 -3.967 10.544 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.150 -3.491 8.943 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.477 -3.102 9.406 1.00 0.00 H new ATOM 354 N MET A 29 3.463 -5.094 9.479 1.00 0.00 N ATOM 355 CA MET A 29 2.238 -5.523 10.132 1.00 0.00 C ATOM 356 C MET A 29 1.878 -6.957 9.736 1.00 0.00 C ATOM 357 O MET A 29 1.252 -7.679 10.510 1.00 0.00 O ATOM 358 CB MET A 29 1.094 -4.583 9.741 1.00 0.00 C ATOM 359 CG MET A 29 1.246 -3.222 10.422 1.00 0.00 C ATOM 360 SD MET A 29 -0.117 -2.159 9.974 1.00 0.00 S ATOM 361 CE MET A 29 0.726 -0.587 9.909 1.00 0.00 C ATOM 0 H MET A 29 3.363 -4.274 8.881 1.00 0.00 H new ATOM 0 HA MET A 29 2.394 -5.492 11.210 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.079 -4.453 8.659 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.140 -5.029 10.021 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.278 -3.349 11.504 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.189 -2.762 10.127 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.031 0.210 10.172 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.557 -0.591 10.614 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.106 -0.419 8.901 1.00 0.00 H new ATOM 369 N GLY A 30 2.291 -7.326 8.533 1.00 0.00 N ATOM 370 CA GLY A 30 2.021 -8.660 8.025 1.00 0.00 C ATOM 371 C GLY A 30 1.376 -8.599 6.640 1.00 0.00 C ATOM 372 O GLY A 30 1.323 -9.603 5.930 1.00 0.00 O ATOM 0 H GLY A 30 2.811 -6.724 7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.950 -9.228 7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.362 -9.189 8.714 1.00 0.00 H new ATOM 376 N PHE A 31 0.902 -7.411 6.294 1.00 0.00 N ATOM 377 CA PHE A 31 0.262 -7.206 5.006 1.00 0.00 C ATOM 378 C PHE A 31 1.262 -7.387 3.862 1.00 0.00 C ATOM 379 O PHE A 31 1.686 -6.412 3.243 1.00 0.00 O ATOM 380 CB PHE A 31 -0.260 -5.768 4.989 1.00 0.00 C ATOM 381 CG PHE A 31 -1.397 -5.507 5.979 1.00 0.00 C ATOM 382 CD1 PHE A 31 -2.535 -6.249 5.919 1.00 0.00 C ATOM 383 CD2 PHE A 31 -1.269 -4.533 6.920 1.00 0.00 C ATOM 384 CE1 PHE A 31 -3.590 -6.006 6.838 1.00 0.00 C ATOM 385 CE2 PHE A 31 -2.325 -4.290 7.838 1.00 0.00 C ATOM 386 CZ PHE A 31 -3.463 -5.032 7.778 1.00 0.00 C ATOM 0 H PHE A 31 0.949 -6.580 6.884 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.540 -7.931 4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.564 -5.090 5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.606 -5.530 3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.636 -7.023 5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.365 -3.945 6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.494 -6.595 6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.224 -3.516 8.584 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.266 -4.848 8.477 1.00 0.00 H new ATOM 395 N VAL A 32 1.610 -8.641 3.616 1.00 0.00 N ATOM 396 CA VAL A 32 2.552 -8.962 2.558 1.00 0.00 C ATOM 397 C VAL A 32 1.900 -8.691 1.200 1.00 0.00 C ATOM 398 O VAL A 32 2.592 -8.529 0.196 1.00 0.00 O ATOM 399 CB VAL A 32 3.039 -10.405 2.710 1.00 0.00 C ATOM 400 CG1 VAL A 32 3.774 -10.598 4.037 1.00 0.00 C ATOM 401 CG2 VAL A 32 1.878 -11.392 2.577 1.00 0.00 C ATOM 0 H VAL A 32 1.256 -9.447 4.131 1.00 0.00 H new ATOM 0 HA VAL A 32 3.435 -8.326 2.627 1.00 0.00 H new ATOM 0 HB VAL A 32 3.744 -10.608 1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.110 -11.632 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.636 -9.932 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.101 -10.368 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.251 -12.410 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.138 -11.190 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.416 -11.281 1.596 1.00 0.00 H new ATOM 411 N ASN A 33 0.576 -8.649 1.214 1.00 0.00 N ATOM 412 CA ASN A 33 -0.177 -8.400 -0.003 1.00 0.00 C ATOM 413 C ASN A 33 0.280 -7.077 -0.620 1.00 0.00 C ATOM 414 O ASN A 33 -0.274 -6.022 -0.315 1.00 0.00 O ATOM 415 CB ASN A 33 -1.676 -8.294 0.288 1.00 0.00 C ATOM 416 CG ASN A 33 -2.423 -9.528 -0.220 1.00 0.00 C ATOM 417 OD1 ASN A 33 -1.853 -10.586 -0.435 1.00 0.00 O ATOM 418 ND2 ASN A 33 -3.727 -9.336 -0.400 1.00 0.00 N ATOM 0 H ASN A 33 0.006 -8.783 2.049 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.000 -9.232 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.835 -8.185 1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.080 -7.400 -0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.313 -10.100 -0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.141 -8.425 -0.201 1.00 0.00 H new ATOM 424 N TYR A 34 1.286 -7.177 -1.477 1.00 0.00 N ATOM 425 CA TYR A 34 1.824 -6.000 -2.138 1.00 0.00 C ATOM 426 C TYR A 34 0.798 -5.394 -3.098 1.00 0.00 C ATOM 427 O TYR A 34 0.330 -4.276 -2.886 1.00 0.00 O ATOM 428 CB TYR A 34 3.033 -6.485 -2.942 1.00 0.00 C ATOM 429 CG TYR A 34 3.774 -5.369 -3.683 1.00 0.00 C ATOM 430 CD1 TYR A 34 4.626 -4.530 -2.993 1.00 0.00 C ATOM 431 CD2 TYR A 34 3.592 -5.204 -5.041 1.00 0.00 C ATOM 432 CE1 TYR A 34 5.323 -3.482 -3.690 1.00 0.00 C ATOM 433 CE2 TYR A 34 4.289 -4.155 -5.738 1.00 0.00 C ATOM 434 CZ TYR A 34 5.121 -3.345 -5.029 1.00 0.00 C ATOM 435 OH TYR A 34 5.780 -2.355 -5.687 1.00 0.00 O ATOM 0 H TYR A 34 1.742 -8.054 -1.729 1.00 0.00 H new ATOM 0 HA TYR A 34 2.087 -5.235 -1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.729 -6.984 -2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.701 -7.230 -3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.769 -4.660 -1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.927 -5.862 -5.581 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.992 -2.818 -3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.154 -4.014 -6.800 1.00 0.00 H new ATOM 0 HH TYR A 34 5.718 -2.507 -6.653 1.00 0.00 H new ATOM 444 N ASN A 35 0.478 -6.158 -4.132 1.00 0.00 N ATOM 445 CA ASN A 35 -0.483 -5.710 -5.124 1.00 0.00 C ATOM 446 C ASN A 35 -1.641 -4.996 -4.421 1.00 0.00 C ATOM 447 O ASN A 35 -2.101 -3.952 -4.880 1.00 0.00 O ATOM 448 CB ASN A 35 -1.061 -6.892 -5.905 1.00 0.00 C ATOM 449 CG ASN A 35 -1.243 -6.538 -7.382 1.00 0.00 C ATOM 450 OD1 ASN A 35 -1.321 -5.383 -7.765 1.00 0.00 O ATOM 451 ND2 ASN A 35 -1.306 -7.594 -8.188 1.00 0.00 N ATOM 0 H ASN A 35 0.868 -7.085 -4.304 1.00 0.00 H new ATOM 0 HA ASN A 35 0.032 -5.040 -5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.398 -7.752 -5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.020 -7.181 -5.476 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.426 -7.463 -9.192 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.234 -8.535 -7.802 1.00 0.00 H new ATOM 457 N ALA A 36 -2.078 -5.590 -3.321 1.00 0.00 N ATOM 458 CA ALA A 36 -3.172 -5.024 -2.550 1.00 0.00 C ATOM 459 C ALA A 36 -2.739 -3.677 -1.970 1.00 0.00 C ATOM 460 O ALA A 36 -3.306 -2.639 -2.309 1.00 0.00 O ATOM 461 CB ALA A 36 -3.599 -6.016 -1.466 1.00 0.00 C ATOM 0 H ALA A 36 -1.695 -6.457 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.038 -4.845 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.420 -5.592 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.926 -6.946 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.756 -6.218 -0.805 1.00 0.00 H new ATOM 467 N ASN A 37 -1.737 -3.736 -1.104 1.00 0.00 N ATOM 468 CA ASN A 37 -1.221 -2.533 -0.474 1.00 0.00 C ATOM 469 C ASN A 37 -1.006 -1.456 -1.539 1.00 0.00 C ATOM 470 O ASN A 37 -1.583 -0.373 -1.456 1.00 0.00 O ATOM 471 CB ASN A 37 0.124 -2.801 0.205 1.00 0.00 C ATOM 472 CG ASN A 37 -0.048 -3.714 1.420 1.00 0.00 C ATOM 473 OD1 ASN A 37 -1.108 -3.799 2.021 1.00 0.00 O ATOM 474 ND2 ASN A 37 1.049 -4.391 1.749 1.00 0.00 N ATOM 0 H ASN A 37 -1.269 -4.598 -0.824 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.944 -2.207 0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.809 -3.262 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.573 -1.858 0.515 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.036 -5.027 2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.903 -4.274 1.204 1.00 0.00 H new ATOM 480 N LEU A 38 -0.175 -1.791 -2.514 1.00 0.00 N ATOM 481 CA LEU A 38 0.124 -0.866 -3.594 1.00 0.00 C ATOM 482 C LEU A 38 -1.175 -0.214 -4.075 1.00 0.00 C ATOM 483 O LEU A 38 -1.326 1.005 -4.006 1.00 0.00 O ATOM 484 CB LEU A 38 0.905 -1.571 -4.705 1.00 0.00 C ATOM 485 CG LEU A 38 2.115 -0.815 -5.258 1.00 0.00 C ATOM 486 CD1 LEU A 38 2.683 -1.519 -6.492 1.00 0.00 C ATOM 487 CD2 LEU A 38 1.765 0.647 -5.542 1.00 0.00 C ATOM 0 H LEU A 38 0.301 -2.691 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 38 0.773 -0.065 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.246 -2.535 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.221 -1.775 -5.529 1.00 0.00 H new ATOM 0 HG LEU A 38 2.896 -0.817 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.542 -0.962 -6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.994 -2.529 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.918 -1.569 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.642 1.162 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.960 0.693 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.443 1.130 -4.619 1.00 0.00 H new ATOM 498 N GLN A 39 -2.081 -1.056 -4.552 1.00 0.00 N ATOM 499 CA GLN A 39 -3.361 -0.577 -5.044 1.00 0.00 C ATOM 500 C GLN A 39 -4.068 0.249 -3.968 1.00 0.00 C ATOM 501 O GLN A 39 -4.312 1.439 -4.154 1.00 0.00 O ATOM 502 CB GLN A 39 -4.240 -1.741 -5.508 1.00 0.00 C ATOM 503 CG GLN A 39 -3.652 -2.409 -6.753 1.00 0.00 C ATOM 504 CD GLN A 39 -3.895 -1.555 -8.000 1.00 0.00 C ATOM 505 OE1 GLN A 39 -4.646 -0.594 -7.988 1.00 0.00 O ATOM 506 NE2 GLN A 39 -3.219 -1.959 -9.071 1.00 0.00 N ATOM 0 H GLN A 39 -1.953 -2.066 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.180 0.065 -5.906 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.332 -2.474 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.245 -1.379 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.582 -2.563 -6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.101 -3.393 -6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.607 -2.773 -9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.312 -1.455 -9.953 1.00 0.00 H new ATOM 513 N ALA A 40 -4.377 -0.416 -2.865 1.00 0.00 N ATOM 514 CA ALA A 40 -5.052 0.241 -1.758 1.00 0.00 C ATOM 515 C ALA A 40 -4.466 1.641 -1.569 1.00 0.00 C ATOM 516 O ALA A 40 -5.191 2.634 -1.621 1.00 0.00 O ATOM 517 CB ALA A 40 -4.925 -0.619 -0.499 1.00 0.00 C ATOM 0 H ALA A 40 -4.172 -1.404 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.115 0.354 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.431 -0.126 0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.382 -1.593 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.871 -0.752 -0.254 1.00 0.00 H new ATOM 523 N LEU A 41 -3.159 1.677 -1.355 1.00 0.00 N ATOM 524 CA LEU A 41 -2.467 2.939 -1.158 1.00 0.00 C ATOM 525 C LEU A 41 -2.932 3.941 -2.217 1.00 0.00 C ATOM 526 O LEU A 41 -3.520 4.970 -1.888 1.00 0.00 O ATOM 527 CB LEU A 41 -0.953 2.723 -1.138 1.00 0.00 C ATOM 528 CG LEU A 41 -0.376 2.131 0.149 1.00 0.00 C ATOM 529 CD1 LEU A 41 0.962 1.439 -0.117 1.00 0.00 C ATOM 530 CD2 LEU A 41 -0.264 3.196 1.241 1.00 0.00 C ATOM 0 H LEU A 41 -2.561 0.852 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.717 3.363 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.689 2.066 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.467 3.681 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.065 1.369 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.350 1.027 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.818 0.634 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.672 2.162 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.149 2.748 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.391 3.998 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.252 3.602 1.456 1.00 0.00 H new ATOM 541 N ILE A 42 -2.649 3.605 -3.468 1.00 0.00 N ATOM 542 CA ILE A 42 -3.031 4.463 -4.577 1.00 0.00 C ATOM 543 C ILE A 42 -4.509 4.835 -4.444 1.00 0.00 C ATOM 544 O ILE A 42 -4.886 5.984 -4.667 1.00 0.00 O ATOM 545 CB ILE A 42 -2.681 3.800 -5.911 1.00 0.00 C ATOM 546 CG1 ILE A 42 -1.177 3.541 -6.017 1.00 0.00 C ATOM 547 CG2 ILE A 42 -3.206 4.625 -7.088 1.00 0.00 C ATOM 548 CD1 ILE A 42 -0.882 2.424 -7.021 1.00 0.00 C ATOM 0 H ILE A 42 -2.160 2.751 -3.737 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.465 5.394 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.178 2.830 -5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.668 4.455 -6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.781 3.269 -5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.944 4.132 -8.024 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.290 4.713 -7.016 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.759 5.619 -7.064 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.194 2.260 -7.077 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.373 1.506 -6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.257 2.710 -8.004 1.00 0.00 H new ATOM 559 N ALA A 43 -5.305 3.840 -4.081 1.00 0.00 N ATOM 560 CA ALA A 43 -6.734 4.049 -3.915 1.00 0.00 C ATOM 561 C ALA A 43 -6.971 5.046 -2.779 1.00 0.00 C ATOM 562 O ALA A 43 -7.979 5.751 -2.767 1.00 0.00 O ATOM 563 CB ALA A 43 -7.421 2.704 -3.665 1.00 0.00 C ATOM 0 H ALA A 43 -4.988 2.888 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.168 4.473 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.493 2.860 -3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.247 2.043 -4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.013 2.249 -2.762 1.00 0.00 H new ATOM 569 N THR A 44 -6.027 5.072 -1.851 1.00 0.00 N ATOM 570 CA THR A 44 -6.120 5.971 -0.713 1.00 0.00 C ATOM 571 C THR A 44 -5.101 7.104 -0.843 1.00 0.00 C ATOM 572 O THR A 44 -4.834 7.818 0.122 1.00 0.00 O ATOM 573 CB THR A 44 -5.945 5.141 0.560 1.00 0.00 C ATOM 574 OG1 THR A 44 -4.626 4.612 0.452 1.00 0.00 O ATOM 575 CG2 THR A 44 -6.843 3.901 0.580 1.00 0.00 C ATOM 0 H THR A 44 -5.193 4.485 -1.863 1.00 0.00 H new ATOM 0 HA THR A 44 -7.095 6.456 -0.672 1.00 0.00 H new ATOM 0 HB THR A 44 -6.163 5.761 1.429 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.184 4.993 -0.335 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.679 3.348 1.505 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.887 4.207 0.520 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.603 3.264 -0.271 1.00 0.00 H new ATOM 583 N ASP A 45 -4.559 7.235 -2.046 1.00 0.00 N ATOM 584 CA ASP A 45 -3.576 8.270 -2.315 1.00 0.00 C ATOM 585 C ASP A 45 -2.513 8.256 -1.215 1.00 0.00 C ATOM 586 O ASP A 45 -2.313 9.256 -0.527 1.00 0.00 O ATOM 587 CB ASP A 45 -4.224 9.656 -2.328 1.00 0.00 C ATOM 588 CG ASP A 45 -3.488 10.706 -3.161 1.00 0.00 C ATOM 589 OD1 ASP A 45 -2.461 10.332 -3.768 1.00 0.00 O ATOM 590 OD2 ASP A 45 -3.968 11.860 -3.173 1.00 0.00 O ATOM 0 H ASP A 45 -4.783 6.641 -2.845 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.134 8.069 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.242 9.561 -2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.299 10.015 -1.302 1.00 0.00 H new ATOM 594 N GLY A 46 -1.859 7.111 -1.083 1.00 0.00 N ATOM 595 CA GLY A 46 -0.821 6.954 -0.079 1.00 0.00 C ATOM 596 C GLY A 46 -1.385 7.158 1.328 1.00 0.00 C ATOM 597 O GLY A 46 -1.197 8.215 1.928 1.00 0.00 O ATOM 0 H GLY A 46 -2.028 6.283 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.381 5.960 -0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.021 7.672 -0.262 1.00 0.00 H new ATOM 601 N ASP A 47 -2.064 6.129 1.814 1.00 0.00 N ATOM 602 CA ASP A 47 -2.656 6.183 3.140 1.00 0.00 C ATOM 603 C ASP A 47 -2.590 4.795 3.780 1.00 0.00 C ATOM 604 O ASP A 47 -3.122 3.830 3.232 1.00 0.00 O ATOM 605 CB ASP A 47 -4.126 6.602 3.070 1.00 0.00 C ATOM 606 CG ASP A 47 -4.463 7.905 3.798 1.00 0.00 C ATOM 607 OD1 ASP A 47 -3.756 8.902 3.534 1.00 0.00 O ATOM 608 OD2 ASP A 47 -5.418 7.873 4.604 1.00 0.00 O ATOM 0 H ASP A 47 -2.217 5.254 1.314 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.100 6.913 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.409 6.705 2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.737 5.802 3.488 1.00 0.00 H new ATOM 612 N THR A 48 -1.933 4.738 4.928 1.00 0.00 N ATOM 613 CA THR A 48 -1.791 3.484 5.648 1.00 0.00 C ATOM 614 C THR A 48 -3.093 3.132 6.370 1.00 0.00 C ATOM 615 O THR A 48 -3.563 1.998 6.293 1.00 0.00 O ATOM 616 CB THR A 48 -0.591 3.612 6.589 1.00 0.00 C ATOM 617 OG1 THR A 48 -0.673 4.948 7.077 1.00 0.00 O ATOM 618 CG2 THR A 48 0.744 3.570 5.842 1.00 0.00 C ATOM 0 H THR A 48 -1.493 5.540 5.378 1.00 0.00 H new ATOM 0 HA THR A 48 -1.601 2.656 4.965 1.00 0.00 H new ATOM 0 HB THR A 48 -0.621 2.810 7.327 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.068 5.116 7.697 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.563 3.665 6.555 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.834 2.623 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.788 4.393 5.128 1.00 0.00 H new ATOM 626 N ASN A 49 -3.639 4.126 7.055 1.00 0.00 N ATOM 627 CA ASN A 49 -4.878 3.936 7.791 1.00 0.00 C ATOM 628 C ASN A 49 -5.948 3.387 6.845 1.00 0.00 C ATOM 629 O ASN A 49 -6.420 2.265 7.019 1.00 0.00 O ATOM 630 CB ASN A 49 -5.387 5.260 8.363 1.00 0.00 C ATOM 631 CG ASN A 49 -5.517 5.186 9.885 1.00 0.00 C ATOM 632 OD1 ASN A 49 -4.678 4.635 10.579 1.00 0.00 O ATOM 633 ND2 ASN A 49 -6.612 5.769 10.364 1.00 0.00 N ATOM 0 H ASN A 49 -3.246 5.065 7.116 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.682 3.242 8.608 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.703 6.064 8.092 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.354 5.502 7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.790 5.773 11.368 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.274 6.212 9.727 1.00 0.00 H new ATOM 639 N ALA A 50 -6.301 4.205 5.863 1.00 0.00 N ATOM 640 CA ALA A 50 -7.307 3.816 4.890 1.00 0.00 C ATOM 641 C ALA A 50 -6.931 2.460 4.289 1.00 0.00 C ATOM 642 O ALA A 50 -7.762 1.557 4.216 1.00 0.00 O ATOM 643 CB ALA A 50 -7.438 4.908 3.826 1.00 0.00 C ATOM 0 H ALA A 50 -5.908 5.135 5.721 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.281 3.707 5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.193 4.616 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.734 5.844 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.480 5.043 3.323 1.00 0.00 H new ATOM 649 N ALA A 51 -5.677 2.360 3.873 1.00 0.00 N ATOM 650 CA ALA A 51 -5.180 1.130 3.280 1.00 0.00 C ATOM 651 C ALA A 51 -5.519 -0.046 4.198 1.00 0.00 C ATOM 652 O ALA A 51 -6.187 -0.991 3.782 1.00 0.00 O ATOM 653 CB ALA A 51 -3.677 1.257 3.025 1.00 0.00 C ATOM 0 H ALA A 51 -4.990 3.111 3.935 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.659 0.946 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.304 0.334 2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.492 2.088 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.162 1.439 3.968 1.00 0.00 H new ATOM 659 N ILE A 52 -5.042 0.050 5.432 1.00 0.00 N ATOM 660 CA ILE A 52 -5.286 -0.993 6.412 1.00 0.00 C ATOM 661 C ILE A 52 -6.789 -1.273 6.490 1.00 0.00 C ATOM 662 O ILE A 52 -7.237 -2.371 6.162 1.00 0.00 O ATOM 663 CB ILE A 52 -4.660 -0.622 7.757 1.00 0.00 C ATOM 664 CG1 ILE A 52 -3.133 -0.574 7.656 1.00 0.00 C ATOM 665 CG2 ILE A 52 -5.131 -1.569 8.862 1.00 0.00 C ATOM 666 CD1 ILE A 52 -2.562 0.549 8.524 1.00 0.00 C ATOM 0 H ILE A 52 -4.488 0.835 5.774 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.803 -1.922 6.107 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.998 0.379 8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.714 -1.530 7.970 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.838 -0.422 6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.671 -1.282 9.808 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.216 -1.510 8.954 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.843 -2.590 8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.476 0.562 8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.965 1.506 8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.838 0.381 9.565 1.00 0.00 H new ATOM 677 N TYR A 53 -7.525 -0.261 6.925 1.00 0.00 N ATOM 678 CA TYR A 53 -8.967 -0.384 7.049 1.00 0.00 C ATOM 679 C TYR A 53 -9.551 -1.196 5.891 1.00 0.00 C ATOM 680 O TYR A 53 -10.329 -2.123 6.109 1.00 0.00 O ATOM 681 CB TYR A 53 -9.519 1.041 6.986 1.00 0.00 C ATOM 682 CG TYR A 53 -10.240 1.487 8.261 1.00 0.00 C ATOM 683 CD1 TYR A 53 -11.400 0.852 8.655 1.00 0.00 C ATOM 684 CD2 TYR A 53 -9.729 2.522 9.017 1.00 0.00 C ATOM 685 CE1 TYR A 53 -12.079 1.271 9.854 1.00 0.00 C ATOM 686 CE2 TYR A 53 -10.408 2.941 10.216 1.00 0.00 C ATOM 687 CZ TYR A 53 -11.549 2.295 10.575 1.00 0.00 C ATOM 688 OH TYR A 53 -12.189 2.690 11.708 1.00 0.00 O ATOM 0 H TYR A 53 -7.150 0.648 7.196 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.230 -0.894 7.976 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.698 1.729 6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.209 1.115 6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.799 0.041 8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.820 3.018 8.710 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.988 0.783 10.173 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.019 3.750 10.816 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.697 3.430 12.121 1.00 0.00 H new ATOM 697 N LYS A 54 -9.152 -0.818 4.686 1.00 0.00 N ATOM 698 CA LYS A 54 -9.625 -1.498 3.493 1.00 0.00 C ATOM 699 C LYS A 54 -9.193 -2.966 3.543 1.00 0.00 C ATOM 700 O LYS A 54 -10.028 -3.865 3.470 1.00 0.00 O ATOM 701 CB LYS A 54 -9.159 -0.763 2.235 1.00 0.00 C ATOM 702 CG LYS A 54 -10.096 0.401 1.902 1.00 0.00 C ATOM 703 CD LYS A 54 -9.307 1.616 1.408 1.00 0.00 C ATOM 704 CE LYS A 54 -10.227 2.623 0.717 1.00 0.00 C ATOM 705 NZ LYS A 54 -10.450 3.801 1.585 1.00 0.00 N ATOM 0 H LYS A 54 -8.506 -0.049 4.510 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.714 -1.486 3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.146 -0.389 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.123 -1.458 1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.809 0.091 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.673 0.672 2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.805 2.094 2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.530 1.292 0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.786 2.939 -0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.181 2.151 0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.452 4.078 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.197 3.563 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.858 4.591 1.257 1.00 0.00 H new ATOM 715 N LEU A 55 -7.888 -3.161 3.666 1.00 0.00 N ATOM 716 CA LEU A 55 -7.335 -4.503 3.726 1.00 0.00 C ATOM 717 C LEU A 55 -8.114 -5.326 4.754 1.00 0.00 C ATOM 718 O LEU A 55 -8.707 -6.349 4.415 1.00 0.00 O ATOM 719 CB LEU A 55 -5.829 -4.450 3.995 1.00 0.00 C ATOM 720 CG LEU A 55 -4.978 -3.783 2.912 1.00 0.00 C ATOM 721 CD1 LEU A 55 -3.581 -3.453 3.440 1.00 0.00 C ATOM 722 CD2 LEU A 55 -4.924 -4.646 1.649 1.00 0.00 C ATOM 0 H LEU A 55 -7.198 -2.412 3.726 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.447 -5.004 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.666 -3.922 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.469 -5.469 4.136 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.450 -2.840 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.996 -2.980 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.664 -2.773 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.086 -4.371 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.313 -4.150 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.487 -5.615 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.933 -4.788 1.262 1.00 0.00 H new ATOM 733 N LYS A 56 -8.089 -4.847 5.989 1.00 0.00 N ATOM 734 CA LYS A 56 -8.786 -5.525 7.069 1.00 0.00 C ATOM 735 C LYS A 56 -10.200 -5.884 6.611 1.00 0.00 C ATOM 736 O LYS A 56 -10.591 -7.050 6.642 1.00 0.00 O ATOM 737 CB LYS A 56 -8.748 -4.683 8.345 1.00 0.00 C ATOM 738 CG LYS A 56 -7.450 -4.919 9.119 1.00 0.00 C ATOM 739 CD LYS A 56 -7.717 -5.005 10.624 1.00 0.00 C ATOM 740 CE LYS A 56 -7.823 -3.609 11.241 1.00 0.00 C ATOM 741 NZ LYS A 56 -9.225 -3.136 11.215 1.00 0.00 N ATOM 0 H LYS A 56 -7.597 -3.997 6.266 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.284 -6.460 7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.837 -3.627 8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.602 -4.932 8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.980 -5.841 8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.749 -4.109 8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.640 -5.557 10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.914 -5.561 11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.459 -3.630 12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.188 -2.913 10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.370 -2.525 10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.866 -3.953 11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.426 -2.597 12.082 1.00 0.00 H new ATOM 751 N SER A 57 -10.931 -4.860 6.195 1.00 0.00 N ATOM 752 CA SER A 57 -12.295 -5.052 5.732 1.00 0.00 C ATOM 753 C SER A 57 -12.385 -6.323 4.885 1.00 0.00 C ATOM 754 O SER A 57 -13.219 -7.189 5.145 1.00 0.00 O ATOM 755 CB SER A 57 -12.778 -3.844 4.927 1.00 0.00 C ATOM 756 OG SER A 57 -13.645 -3.008 5.689 1.00 0.00 O ATOM 0 H SER A 57 -10.604 -3.894 6.169 1.00 0.00 H new ATOM 0 HA SER A 57 -12.941 -5.156 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.918 -3.264 4.591 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.299 -4.188 4.034 1.00 0.00 H new ATOM 0 HG SER A 57 -13.931 -2.247 5.141 1.00 0.00 H new ATOM 761 N SER A 58 -11.514 -6.397 3.890 1.00 0.00 N ATOM 762 CA SER A 58 -11.485 -7.548 3.003 1.00 0.00 C ATOM 763 C SER A 58 -10.218 -8.369 3.254 1.00 0.00 C ATOM 764 O SER A 58 -9.175 -8.104 2.660 1.00 0.00 O ATOM 765 CB SER A 58 -11.556 -7.116 1.537 1.00 0.00 C ATOM 766 OG SER A 58 -11.326 -8.207 0.648 1.00 0.00 O ATOM 0 H SER A 58 -10.822 -5.678 3.678 1.00 0.00 H new ATOM 0 HA SER A 58 -12.358 -8.165 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.535 -6.683 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.817 -6.336 1.353 1.00 0.00 H new ATOM 0 HG SER A 58 -11.381 -7.891 -0.278 1.00 0.00 H new ATOM 771 N GLN A 59 -10.352 -9.350 4.135 1.00 0.00 N ATOM 772 CA GLN A 59 -9.232 -10.212 4.471 1.00 0.00 C ATOM 773 C GLN A 59 -8.742 -10.955 3.227 1.00 0.00 C ATOM 774 O GLN A 59 -7.564 -10.880 2.879 1.00 0.00 O ATOM 775 CB GLN A 59 -9.609 -11.193 5.583 1.00 0.00 C ATOM 776 CG GLN A 59 -8.402 -12.032 6.006 1.00 0.00 C ATOM 777 CD GLN A 59 -8.847 -13.370 6.603 1.00 0.00 C ATOM 778 OE1 GLN A 59 -8.847 -14.400 5.949 1.00 0.00 O ATOM 779 NE2 GLN A 59 -9.224 -13.296 7.875 1.00 0.00 N ATOM 0 H GLN A 59 -11.219 -9.567 4.626 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.418 -9.589 4.842 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.994 -10.644 6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.409 -11.848 5.239 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.758 -12.210 5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.810 -11.482 6.738 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.199 -12.401 8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.538 -14.135 8.363 1.00 0.00 H new ATOM 786 N GLY A 60 -9.670 -11.656 2.592 1.00 0.00 N ATOM 787 CA GLY A 60 -9.346 -12.411 1.394 1.00 0.00 C ATOM 788 C GLY A 60 -9.190 -13.900 1.710 1.00 0.00 C ATOM 789 O GLY A 60 -10.103 -14.523 2.250 1.00 0.00 O ATOM 0 H GLY A 60 -10.645 -11.717 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.131 -12.274 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.423 -12.029 0.958 1.00 0.00 H new ATOM 793 N PHE A 61 -8.026 -14.428 1.361 1.00 0.00 N ATOM 794 CA PHE A 61 -7.738 -15.831 1.602 1.00 0.00 C ATOM 795 C PHE A 61 -8.787 -16.727 0.941 1.00 0.00 C ATOM 796 O PHE A 61 -9.883 -16.902 1.473 1.00 0.00 O ATOM 797 CB PHE A 61 -7.783 -16.044 3.116 1.00 0.00 C ATOM 798 CG PHE A 61 -6.430 -15.874 3.809 1.00 0.00 C ATOM 799 CD1 PHE A 61 -5.825 -14.656 3.831 1.00 0.00 C ATOM 800 CD2 PHE A 61 -5.832 -16.941 4.404 1.00 0.00 C ATOM 801 CE1 PHE A 61 -4.569 -14.498 4.475 1.00 0.00 C ATOM 802 CE2 PHE A 61 -4.575 -16.783 5.048 1.00 0.00 C ATOM 803 CZ PHE A 61 -3.971 -15.565 5.069 1.00 0.00 C ATOM 0 H PHE A 61 -7.271 -13.909 0.913 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.764 -16.088 1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -8.493 -15.340 3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.161 -17.046 3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.300 -13.809 3.359 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.312 -17.908 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.089 -13.531 4.493 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.100 -17.630 5.520 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.015 -15.445 5.558 1.00 0.00 H new ATOM 812 N SER A 62 -8.416 -17.271 -0.208 1.00 0.00 N ATOM 813 CA SER A 62 -9.312 -18.145 -0.947 1.00 0.00 C ATOM 814 C SER A 62 -9.028 -19.606 -0.593 1.00 0.00 C ATOM 815 O SER A 62 -8.139 -20.228 -1.172 1.00 0.00 O ATOM 816 CB SER A 62 -9.173 -17.928 -2.456 1.00 0.00 C ATOM 817 OG SER A 62 -10.280 -17.211 -2.995 1.00 0.00 O ATOM 0 H SER A 62 -7.507 -17.124 -0.646 1.00 0.00 H new ATOM 0 HA SER A 62 -10.336 -17.902 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.252 -17.381 -2.661 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.088 -18.893 -2.955 1.00 0.00 H new ATOM 0 HG SER A 62 -10.154 -17.091 -3.959 1.00 0.00 H new ATOM 822 N GLY A 63 -9.801 -20.112 0.357 1.00 0.00 N ATOM 823 CA GLY A 63 -9.644 -21.489 0.795 1.00 0.00 C ATOM 824 C GLY A 63 -10.281 -21.703 2.169 1.00 0.00 C ATOM 825 O GLY A 63 -9.579 -21.895 3.161 1.00 0.00 O ATOM 0 H GLY A 63 -10.538 -19.593 0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.103 -22.160 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.585 -21.742 0.838 1.00 0.00 H new ATOM 829 N PRO A 64 -11.641 -21.662 2.184 1.00 0.00 N ATOM 830 CA PRO A 64 -12.381 -21.850 3.421 1.00 0.00 C ATOM 831 C PRO A 64 -12.385 -23.321 3.840 1.00 0.00 C ATOM 832 O PRO A 64 -13.446 -23.934 3.953 1.00 0.00 O ATOM 833 CB PRO A 64 -13.772 -21.309 3.132 1.00 0.00 C ATOM 834 CG PRO A 64 -13.897 -21.269 1.617 1.00 0.00 C ATOM 835 CD PRO A 64 -12.506 -21.437 1.030 1.00 0.00 C ATOM 0 HA PRO A 64 -11.932 -21.326 4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.539 -21.948 3.570 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.902 -20.315 3.561 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.557 -22.063 1.267 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.336 -20.325 1.295 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.468 -22.277 0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.201 -20.551 0.474 1.00 0.00 H new ATOM 840 N SER A 65 -11.188 -23.845 4.057 1.00 0.00 N ATOM 841 CA SER A 65 -11.041 -25.233 4.460 1.00 0.00 C ATOM 842 C SER A 65 -11.418 -26.158 3.301 1.00 0.00 C ATOM 843 O SER A 65 -10.574 -26.889 2.785 1.00 0.00 O ATOM 844 CB SER A 65 -11.900 -25.544 5.688 1.00 0.00 C ATOM 845 OG SER A 65 -11.780 -24.540 6.692 1.00 0.00 O ATOM 0 H SER A 65 -10.311 -23.333 3.961 1.00 0.00 H new ATOM 0 HA SER A 65 -9.998 -25.402 4.727 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.944 -25.633 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.605 -26.508 6.102 1.00 0.00 H new ATOM 0 HG SER A 65 -12.344 -24.774 7.458 1.00 0.00 H new ATOM 850 N SER A 66 -12.687 -26.096 2.924 1.00 0.00 N ATOM 851 CA SER A 66 -13.186 -26.918 1.836 1.00 0.00 C ATOM 852 C SER A 66 -14.571 -26.431 1.404 1.00 0.00 C ATOM 853 O SER A 66 -15.577 -26.786 2.017 1.00 0.00 O ATOM 854 CB SER A 66 -13.245 -28.393 2.242 1.00 0.00 C ATOM 855 OG SER A 66 -12.038 -29.082 1.925 1.00 0.00 O ATOM 0 H SER A 66 -13.385 -25.488 3.354 1.00 0.00 H new ATOM 0 HA SER A 66 -12.498 -26.827 0.996 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.434 -28.467 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.081 -28.875 1.736 1.00 0.00 H new ATOM 0 HG SER A 66 -11.271 -28.505 2.121 1.00 0.00 H new ATOM 860 N GLY A 67 -14.578 -25.626 0.352 1.00 0.00 N ATOM 861 CA GLY A 67 -15.822 -25.087 -0.170 1.00 0.00 C ATOM 862 C GLY A 67 -16.056 -25.543 -1.611 1.00 0.00 C ATOM 863 O GLY A 67 -15.623 -24.883 -2.553 1.00 0.00 O ATOM 0 H GLY A 67 -13.741 -25.334 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -16.653 -25.410 0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.796 -23.998 -0.129 1.00 0.00 H new TER 867 GLY A 67