USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 995 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 17 SER OG : rot 105:sc= 1.22 USER MOD Set 1.2: A 98 MET CE :methyl -178:sc= -1.73 (180deg=-1.75) USER MOD Set 2.1: A 69 ASN : amide:sc= 0.537 K(o=1.2,f=-2.4) USER MOD Set 2.2: A 71 THR OG1 : rot 175:sc= 0.659 USER MOD Set 3.1: A 59 THR OG1 : rot 180:sc= 0.746 USER MOD Set 3.2: A 109 LYS NZ :NH3+ -164:sc= 2.12 (180deg=0.914) USER MOD Set 4.1: A 9 TYR OH : rot -32:sc= 0.904 USER MOD Set 4.2: A 11 GLN : amide:sc= 1.25 K(o=2.2,f=-0.82) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -27:sc= 0.0526 USER MOD Single : A 16 THR OG1 : rot 80:sc= -0.412 USER MOD Single : A 20 ASN : amide:sc= -0.758 K(o=-0.76,f=0.36) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.682 X(o=-0.68,f=-0.37) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc=-0.00505 X(o=-0.0051,f=-0.35) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.121 X(o=0.12,f=-0.06) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 179:sc= 1.21 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 162:sc= -0.69 (180deg=-1.57) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 140:sc= 0.137 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.317 K(o=0.32,f=-6.2!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -165:sc= -0.0461 (180deg=-0.554) USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.037) USER MOD Single : A 77 SER OG : rot 40:sc= 0.0396 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.715 X(o=-0.71,f=-0.24) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00219) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -1.28 K(o=-1.3,f=-3!) USER MOD Single : A 105 SER OG : rot -45:sc= 1.15 USER MOD Single : A 107 GLN : amide:sc= -0.219 K(o=-0.22,f=-0.83) USER MOD Single : A 112 SER OG : rot 82:sc= 1.24 USER MOD Single : A 113 SER OG : rot 17:sc= 0.11 USER MOD Single : A 115 THR OG1 : rot -21:sc= 1.27 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 100:sc= -0.236 USER MOD Single : A 121 GLN : amide:sc= -0.0138 K(o=-0.014,f=-1.6) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 4 -20.103 9.823 0.992 1.00 0.00 N ATOM 34 CA ALA A 4 -19.525 8.496 1.157 1.00 0.00 C ATOM 35 C ALA A 4 -19.387 7.794 -0.191 1.00 0.00 C ATOM 36 O ALA A 4 -19.721 6.610 -0.316 1.00 0.00 O ATOM 37 CB ALA A 4 -20.279 7.662 2.193 1.00 0.00 C ATOM 0 HA ALA A 4 -18.519 8.615 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.811 6.681 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.248 8.167 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.316 7.542 1.879 1.00 0.00 H new ATOM 43 N LEU A 5 -18.907 8.537 -1.195 1.00 0.00 N ATOM 44 CA LEU A 5 -18.754 8.042 -2.553 1.00 0.00 C ATOM 45 C LEU A 5 -17.882 6.787 -2.493 1.00 0.00 C ATOM 46 O LEU A 5 -16.979 6.712 -1.649 1.00 0.00 O ATOM 47 CB LEU A 5 -18.087 9.098 -3.451 1.00 0.00 C ATOM 48 CG LEU A 5 -18.978 10.272 -3.855 1.00 0.00 C ATOM 49 CD1 LEU A 5 -18.132 11.411 -4.431 1.00 0.00 C ATOM 50 CD2 LEU A 5 -20.028 9.850 -4.883 1.00 0.00 C ATOM 0 H LEU A 5 -18.613 9.507 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.732 7.817 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.211 9.490 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.729 8.607 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 5 -19.492 10.616 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.781 12.239 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.418 11.750 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.593 11.056 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -20.644 10.709 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.531 9.471 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -20.659 9.068 -4.459 1.00 0.00 H new ATOM 62 N PRO A 6 -18.130 5.818 -3.377 1.00 0.00 N ATOM 63 CA PRO A 6 -17.386 4.579 -3.432 1.00 0.00 C ATOM 64 C PRO A 6 -15.953 4.861 -3.853 1.00 0.00 C ATOM 65 O PRO A 6 -15.643 5.890 -4.450 1.00 0.00 O ATOM 66 CB PRO A 6 -18.106 3.720 -4.471 1.00 0.00 C ATOM 67 CG PRO A 6 -18.678 4.766 -5.417 1.00 0.00 C ATOM 68 CD PRO A 6 -18.996 5.965 -4.524 1.00 0.00 C ATOM 0 HA PRO A 6 -17.341 4.075 -2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.423 3.041 -4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.888 3.108 -4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.961 5.031 -6.195 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.573 4.398 -5.920 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.807 6.905 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.045 5.969 -4.228 1.00 0.00 H new ATOM 76 N LEU A 7 -15.096 3.888 -3.579 1.00 0.00 N ATOM 77 CA LEU A 7 -13.703 3.886 -3.978 1.00 0.00 C ATOM 78 C LEU A 7 -13.607 4.148 -5.484 1.00 0.00 C ATOM 79 O LEU A 7 -14.150 3.375 -6.271 1.00 0.00 O ATOM 80 CB LEU A 7 -13.080 2.553 -3.561 1.00 0.00 C ATOM 81 CG LEU A 7 -11.657 2.315 -4.094 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.635 3.118 -3.290 1.00 0.00 C ATOM 83 CD2 LEU A 7 -11.341 0.821 -4.020 1.00 0.00 C ATOM 0 H LEU A 7 -15.363 3.054 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.145 4.681 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.059 2.502 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.723 1.743 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.601 2.649 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.636 2.934 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.865 4.181 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.674 2.813 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.334 0.643 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.406 0.486 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.058 0.267 -4.626 1.00 0.00 H new ATOM 95 N TYR A 8 -12.902 5.204 -5.885 1.00 0.00 N ATOM 96 CA TYR A 8 -12.682 5.594 -7.273 1.00 0.00 C ATOM 97 C TYR A 8 -11.207 5.632 -7.681 1.00 0.00 C ATOM 98 O TYR A 8 -10.933 5.785 -8.871 1.00 0.00 O ATOM 99 CB TYR A 8 -13.409 6.909 -7.576 1.00 0.00 C ATOM 100 CG TYR A 8 -13.159 8.096 -6.665 1.00 0.00 C ATOM 101 CD1 TYR A 8 -11.984 8.862 -6.780 1.00 0.00 C ATOM 102 CD2 TYR A 8 -14.179 8.513 -5.789 1.00 0.00 C ATOM 103 CE1 TYR A 8 -11.833 10.038 -6.020 1.00 0.00 C ATOM 104 CE2 TYR A 8 -14.040 9.687 -5.032 1.00 0.00 C ATOM 105 CZ TYR A 8 -12.862 10.457 -5.142 1.00 0.00 C ATOM 106 OH TYR A 8 -12.731 11.601 -4.417 1.00 0.00 O ATOM 0 H TYR A 8 -12.451 5.836 -5.224 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.113 4.809 -7.895 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -13.146 7.208 -8.591 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.480 6.706 -7.571 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.198 8.548 -7.451 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.079 7.923 -5.698 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.929 10.622 -6.107 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.832 10.000 -4.368 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.533 11.735 -3.869 1.00 0.00 H new ATOM 116 N TYR A 9 -10.258 5.460 -6.755 1.00 0.00 N ATOM 117 CA TYR A 9 -8.830 5.426 -7.067 1.00 0.00 C ATOM 118 C TYR A 9 -8.109 4.573 -6.042 1.00 0.00 C ATOM 119 O TYR A 9 -8.385 4.692 -4.845 1.00 0.00 O ATOM 120 CB TYR A 9 -8.267 6.836 -7.004 1.00 0.00 C ATOM 121 CG TYR A 9 -6.764 6.961 -7.192 1.00 0.00 C ATOM 122 CD1 TYR A 9 -6.219 7.044 -8.486 1.00 0.00 C ATOM 123 CD2 TYR A 9 -5.908 7.000 -6.074 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.835 7.194 -8.672 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.530 7.202 -6.244 1.00 0.00 C ATOM 126 CZ TYR A 9 -3.991 7.317 -7.545 1.00 0.00 C ATOM 127 OH TYR A 9 -2.658 7.538 -7.703 1.00 0.00 O ATOM 0 H TYR A 9 -10.463 5.340 -5.763 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.690 5.010 -8.065 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.760 7.438 -7.768 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.530 7.268 -6.039 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.871 6.992 -9.345 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.314 6.874 -5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.419 7.215 -9.668 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.883 7.269 -5.382 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.350 7.103 -8.525 1.00 0.00 H new ATOM 137 N LEU A 10 -7.149 3.768 -6.500 1.00 0.00 N ATOM 138 CA LEU A 10 -6.369 2.888 -5.683 1.00 0.00 C ATOM 139 C LEU A 10 -4.957 3.059 -6.191 1.00 0.00 C ATOM 140 O LEU A 10 -4.685 2.861 -7.379 1.00 0.00 O ATOM 141 CB LEU A 10 -6.871 1.487 -5.993 1.00 0.00 C ATOM 142 CG LEU A 10 -6.347 0.298 -5.194 1.00 0.00 C ATOM 143 CD1 LEU A 10 -4.922 0.413 -4.682 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.205 0.072 -3.957 1.00 0.00 C ATOM 0 H LEU A 10 -6.898 3.722 -7.488 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.427 3.075 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.955 1.499 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.659 1.291 -7.044 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.383 -0.518 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.660 -0.489 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.241 0.533 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.841 1.278 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.819 -0.780 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.178 0.962 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.233 -0.128 -4.259 1.00 0.00 H new ATOM 156 N GLN A 11 -4.039 3.356 -5.294 1.00 0.00 N ATOM 157 CA GLN A 11 -2.623 3.257 -5.593 1.00 0.00 C ATOM 158 C GLN A 11 -1.868 3.152 -4.288 1.00 0.00 C ATOM 159 O GLN A 11 -2.336 3.618 -3.256 1.00 0.00 O ATOM 160 CB GLN A 11 -2.155 4.482 -6.400 1.00 0.00 C ATOM 161 CG GLN A 11 -1.364 4.145 -7.676 1.00 0.00 C ATOM 162 CD GLN A 11 -2.054 4.678 -8.930 1.00 0.00 C ATOM 163 OE1 GLN A 11 -1.655 5.696 -9.485 1.00 0.00 O ATOM 164 NE2 GLN A 11 -3.120 4.047 -9.385 1.00 0.00 N ATOM 0 H GLN A 11 -4.249 3.670 -4.346 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.431 2.373 -6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.028 5.074 -6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.535 5.108 -5.758 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.362 4.569 -7.605 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.248 3.064 -7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.449 3.200 -8.920 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.615 4.406 -10.201 1.00 0.00 H new ATOM 173 N ILE A 12 -0.683 2.563 -4.355 1.00 0.00 N ATOM 174 CA ILE A 12 0.158 2.372 -3.177 1.00 0.00 C ATOM 175 C ILE A 12 0.711 3.710 -2.650 1.00 0.00 C ATOM 176 O ILE A 12 0.892 3.811 -1.450 1.00 0.00 O ATOM 177 CB ILE A 12 1.255 1.351 -3.536 1.00 0.00 C ATOM 178 CG1 ILE A 12 0.646 0.056 -4.144 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.185 0.969 -2.374 1.00 0.00 C ATOM 180 CD1 ILE A 12 -0.568 -0.539 -3.413 1.00 0.00 C ATOM 0 H ILE A 12 -0.277 2.205 -5.220 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.429 1.973 -2.350 1.00 0.00 H new ATOM 0 HB ILE A 12 1.869 1.868 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.355 0.266 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.427 -0.703 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.924 0.247 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.694 1.860 -2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.598 0.529 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.901 -1.438 -3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.288 -0.793 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.377 0.191 -3.397 1.00 0.00 H new ATOM 192 N THR A 13 0.927 4.699 -3.530 1.00 0.00 N ATOM 193 CA THR A 13 1.448 6.067 -3.342 1.00 0.00 C ATOM 194 C THR A 13 2.772 6.212 -2.576 1.00 0.00 C ATOM 195 O THR A 13 3.682 6.851 -3.101 1.00 0.00 O ATOM 196 CB THR A 13 0.372 7.059 -2.862 1.00 0.00 C ATOM 197 OG1 THR A 13 -0.010 6.908 -1.522 1.00 0.00 O ATOM 198 CG2 THR A 13 -0.917 6.923 -3.660 1.00 0.00 C ATOM 0 H THR A 13 0.714 4.541 -4.515 1.00 0.00 H new ATOM 0 HA THR A 13 1.730 6.347 -4.357 1.00 0.00 H new ATOM 0 HB THR A 13 0.856 8.026 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.126 5.977 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.651 7.640 -3.291 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.715 7.120 -4.713 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.309 5.912 -3.548 1.00 0.00 H new ATOM 206 N GLY A 14 2.909 5.634 -1.388 1.00 0.00 N ATOM 207 CA GLY A 14 4.149 5.555 -0.629 1.00 0.00 C ATOM 208 C GLY A 14 4.304 4.156 -0.050 1.00 0.00 C ATOM 209 O GLY A 14 3.317 3.469 0.237 1.00 0.00 O ATOM 0 H GLY A 14 2.126 5.190 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.997 5.789 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.144 6.293 0.173 1.00 0.00 H new ATOM 213 N ILE A 15 5.545 3.724 0.142 1.00 0.00 N ATOM 214 CA ILE A 15 5.873 2.424 0.704 1.00 0.00 C ATOM 215 C ILE A 15 7.121 2.608 1.552 1.00 0.00 C ATOM 216 O ILE A 15 7.918 3.497 1.278 1.00 0.00 O ATOM 217 CB ILE A 15 6.062 1.407 -0.448 1.00 0.00 C ATOM 218 CG1 ILE A 15 5.828 -0.045 0.008 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.416 1.559 -1.170 1.00 0.00 C ATOM 220 CD1 ILE A 15 5.745 -1.014 -1.182 1.00 0.00 C ATOM 0 H ILE A 15 6.366 4.281 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 15 5.079 2.028 1.337 1.00 0.00 H new ATOM 0 HB ILE A 15 5.290 1.647 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.637 -0.352 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.905 -0.100 0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.489 0.819 -1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.491 2.559 -1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.227 1.407 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.579 -2.027 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.919 -0.723 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.678 -0.980 -1.745 1.00 0.00 H new ATOM 232 N THR A 16 7.318 1.748 2.534 1.00 0.00 N ATOM 233 CA THR A 16 8.572 1.608 3.245 1.00 0.00 C ATOM 234 C THR A 16 8.570 0.201 3.839 1.00 0.00 C ATOM 235 O THR A 16 7.666 -0.608 3.601 1.00 0.00 O ATOM 236 CB THR A 16 8.740 2.753 4.276 1.00 0.00 C ATOM 237 OG1 THR A 16 9.986 2.654 4.939 1.00 0.00 O ATOM 238 CG2 THR A 16 7.664 2.809 5.367 1.00 0.00 C ATOM 0 H THR A 16 6.592 1.113 2.866 1.00 0.00 H new ATOM 0 HA THR A 16 9.444 1.707 2.598 1.00 0.00 H new ATOM 0 HB THR A 16 8.657 3.657 3.673 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.692 3.019 4.365 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.869 3.643 6.038 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.686 2.946 4.906 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.671 1.878 5.933 1.00 0.00 H new ATOM 246 N SER A 17 9.563 -0.106 4.655 1.00 0.00 N ATOM 247 CA SER A 17 9.472 -1.191 5.596 1.00 0.00 C ATOM 248 C SER A 17 10.178 -0.823 6.888 1.00 0.00 C ATOM 249 O SER A 17 10.796 0.241 7.010 1.00 0.00 O ATOM 250 CB SER A 17 10.030 -2.447 4.942 1.00 0.00 C ATOM 251 OG SER A 17 11.384 -2.291 4.573 1.00 0.00 O ATOM 0 H SER A 17 10.452 0.394 4.678 1.00 0.00 H new ATOM 0 HA SER A 17 8.435 -1.389 5.865 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.936 -3.287 5.630 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.439 -2.690 4.059 1.00 0.00 H new ATOM 0 HG SER A 17 11.953 -2.783 5.201 1.00 0.00 H new ATOM 257 N ASP A 18 10.060 -1.743 7.831 1.00 0.00 N ATOM 258 CA ASP A 18 10.632 -1.727 9.163 1.00 0.00 C ATOM 259 C ASP A 18 12.140 -1.550 9.120 1.00 0.00 C ATOM 260 O ASP A 18 12.684 -0.663 9.776 1.00 0.00 O ATOM 261 CB ASP A 18 10.219 -3.053 9.800 1.00 0.00 C ATOM 262 CG ASP A 18 10.269 -3.016 11.312 1.00 0.00 C ATOM 263 OD1 ASP A 18 11.338 -3.288 11.883 1.00 0.00 O ATOM 264 OD2 ASP A 18 9.217 -2.734 11.934 1.00 0.00 O ATOM 0 H ASP A 18 9.516 -2.590 7.668 1.00 0.00 H new ATOM 0 HA ASP A 18 10.269 -0.883 9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.208 -3.306 9.480 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.875 -3.845 9.438 1.00 0.00 H new ATOM 269 N GLY A 19 12.811 -2.308 8.249 1.00 0.00 N ATOM 270 CA GLY A 19 14.242 -2.204 8.040 1.00 0.00 C ATOM 271 C GLY A 19 14.643 -1.103 7.054 1.00 0.00 C ATOM 272 O GLY A 19 15.772 -1.184 6.568 1.00 0.00 O ATOM 0 H GLY A 19 12.364 -3.016 7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.727 -2.016 8.998 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.617 -3.160 7.675 1.00 0.00 H new ATOM 276 N ASN A 20 13.766 -0.141 6.713 1.00 0.00 N ATOM 277 CA ASN A 20 14.058 0.946 5.764 1.00 0.00 C ATOM 278 C ASN A 20 13.977 2.336 6.400 1.00 0.00 C ATOM 279 O ASN A 20 13.793 3.318 5.685 1.00 0.00 O ATOM 280 CB ASN A 20 13.168 0.886 4.504 1.00 0.00 C ATOM 281 CG ASN A 20 14.009 1.203 3.275 1.00 0.00 C ATOM 282 OD1 ASN A 20 14.486 2.315 3.084 1.00 0.00 O ATOM 283 ND2 ASN A 20 14.286 0.216 2.446 1.00 0.00 N ATOM 0 H ASN A 20 12.821 -0.097 7.095 1.00 0.00 H new ATOM 0 HA ASN A 20 15.092 0.783 5.459 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.722 -0.104 4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.348 1.598 4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.897 0.378 1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.889 -0.710 2.605 1.00 0.00 H new ATOM 290 N ASP A 21 14.077 2.458 7.725 1.00 0.00 N ATOM 291 CA ASP A 21 14.122 3.759 8.414 1.00 0.00 C ATOM 292 C ASP A 21 12.808 4.540 8.233 1.00 0.00 C ATOM 293 O ASP A 21 12.787 5.768 8.324 1.00 0.00 O ATOM 294 CB ASP A 21 15.330 4.621 7.969 1.00 0.00 C ATOM 295 CG ASP A 21 16.653 3.872 7.813 1.00 0.00 C ATOM 296 OD1 ASP A 21 17.365 3.689 8.826 1.00 0.00 O ATOM 297 OD2 ASP A 21 17.006 3.474 6.671 1.00 0.00 O ATOM 0 H ASP A 21 14.129 1.658 8.356 1.00 0.00 H new ATOM 0 HA ASP A 21 14.249 3.540 9.474 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.086 5.093 7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.470 5.422 8.695 1.00 0.00 H new ATOM 302 N PHE A 22 11.709 3.839 7.925 1.00 0.00 N ATOM 303 CA PHE A 22 10.420 4.416 7.544 1.00 0.00 C ATOM 304 C PHE A 22 10.554 5.429 6.389 1.00 0.00 C ATOM 305 O PHE A 22 9.849 6.442 6.374 1.00 0.00 O ATOM 306 CB PHE A 22 9.669 4.959 8.773 1.00 0.00 C ATOM 307 CG PHE A 22 9.168 3.908 9.748 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.070 3.189 10.552 1.00 0.00 C ATOM 309 CD2 PHE A 22 7.786 3.703 9.916 1.00 0.00 C ATOM 310 CE1 PHE A 22 9.599 2.312 11.545 1.00 0.00 C ATOM 311 CE2 PHE A 22 7.317 2.865 10.941 1.00 0.00 C ATOM 312 CZ PHE A 22 8.221 2.161 11.752 1.00 0.00 C ATOM 0 H PHE A 22 11.696 2.819 7.936 1.00 0.00 H new ATOM 0 HA PHE A 22 9.797 3.617 7.142 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.329 5.641 9.308 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.817 5.545 8.427 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.133 3.311 10.406 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.085 4.191 9.255 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.300 1.754 12.149 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.255 2.762 11.106 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.857 1.507 12.531 1.00 0.00 H new ATOM 322 N ALA A 23 11.461 5.190 5.433 1.00 0.00 N ATOM 323 CA ALA A 23 11.600 5.968 4.209 1.00 0.00 C ATOM 324 C ALA A 23 10.388 5.778 3.288 1.00 0.00 C ATOM 325 O ALA A 23 10.389 4.875 2.459 1.00 0.00 O ATOM 326 CB ALA A 23 12.906 5.601 3.501 1.00 0.00 C ATOM 0 H ALA A 23 12.135 4.427 5.498 1.00 0.00 H new ATOM 0 HA ALA A 23 11.638 7.025 4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.002 6.187 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.749 5.814 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.899 4.540 3.252 1.00 0.00 H new ATOM 332 N TRP A 24 9.352 6.613 3.432 1.00 0.00 N ATOM 333 CA TRP A 24 8.061 6.474 2.755 1.00 0.00 C ATOM 334 C TRP A 24 8.084 6.648 1.239 1.00 0.00 C ATOM 335 O TRP A 24 7.065 6.357 0.601 1.00 0.00 O ATOM 336 CB TRP A 24 7.064 7.474 3.358 1.00 0.00 C ATOM 337 CG TRP A 24 6.378 6.944 4.566 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.476 7.415 5.824 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.529 5.767 4.636 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.722 6.626 6.667 1.00 0.00 N ATOM 341 CE2 TRP A 24 5.147 5.565 5.992 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.087 4.827 3.682 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.372 4.467 6.382 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.315 3.719 4.062 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.957 3.539 5.410 1.00 0.00 C ATOM 0 H TRP A 24 9.392 7.429 4.043 1.00 0.00 H new ATOM 0 HA TRP A 24 7.763 5.439 2.921 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.590 8.393 3.618 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.318 7.735 2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.054 8.276 6.125 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.603 6.803 7.664 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.347 4.962 2.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.096 4.334 7.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.995 3.004 3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.362 2.686 5.700 1.00 0.00 H new ATOM 356 N ASP A 25 9.175 7.202 0.713 1.00 0.00 N ATOM 357 CA ASP A 25 9.606 7.137 -0.682 1.00 0.00 C ATOM 358 C ASP A 25 8.442 7.342 -1.661 1.00 0.00 C ATOM 359 O ASP A 25 7.875 6.379 -2.186 1.00 0.00 O ATOM 360 CB ASP A 25 10.407 5.869 -0.976 1.00 0.00 C ATOM 361 CG ASP A 25 11.913 6.067 -0.893 1.00 0.00 C ATOM 362 OD1 ASP A 25 12.410 6.902 -1.679 1.00 0.00 O ATOM 363 OD2 ASP A 25 12.606 5.317 -0.168 1.00 0.00 O ATOM 0 H ASP A 25 9.823 7.743 1.286 1.00 0.00 H new ATOM 0 HA ASP A 25 10.286 7.974 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.112 5.091 -0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.151 5.510 -1.973 1.00 0.00 H new ATOM 368 N ASN A 26 8.062 8.601 -1.885 1.00 0.00 N ATOM 369 CA ASN A 26 6.886 8.979 -2.666 1.00 0.00 C ATOM 370 C ASN A 26 6.948 8.370 -4.062 1.00 0.00 C ATOM 371 O ASN A 26 7.683 8.865 -4.923 1.00 0.00 O ATOM 372 CB ASN A 26 6.788 10.504 -2.783 1.00 0.00 C ATOM 373 CG ASN A 26 6.539 11.193 -1.451 1.00 0.00 C ATOM 374 OD1 ASN A 26 7.461 11.492 -0.700 1.00 0.00 O ATOM 375 ND2 ASN A 26 5.292 11.423 -1.088 1.00 0.00 N ATOM 0 H ASN A 26 8.576 9.403 -1.520 1.00 0.00 H new ATOM 0 HA ASN A 26 6.005 8.599 -2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.711 10.889 -3.216 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.982 10.758 -3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.095 11.850 -0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.525 11.174 -1.713 1.00 0.00 H new ATOM 382 N LEU A 27 6.186 7.305 -4.308 1.00 0.00 N ATOM 383 CA LEU A 27 6.262 6.521 -5.527 1.00 0.00 C ATOM 384 C LEU A 27 5.864 7.387 -6.715 1.00 0.00 C ATOM 385 O LEU A 27 4.937 8.196 -6.632 1.00 0.00 O ATOM 386 CB LEU A 27 5.355 5.282 -5.448 1.00 0.00 C ATOM 387 CG LEU A 27 5.645 4.326 -4.275 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.637 3.170 -4.316 1.00 0.00 C ATOM 389 CD2 LEU A 27 7.065 3.754 -4.311 1.00 0.00 C ATOM 0 H LEU A 27 5.487 6.961 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 27 7.288 6.177 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.319 5.614 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.447 4.725 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 27 5.552 4.901 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.833 2.487 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.625 3.566 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.735 2.635 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.211 3.088 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.210 3.197 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.787 4.569 -4.261 1.00 0.00 H new ATOM 401 N THR A 28 6.562 7.193 -7.825 1.00 0.00 N ATOM 402 CA THR A 28 6.316 7.829 -9.111 1.00 0.00 C ATOM 403 C THR A 28 4.946 7.439 -9.704 1.00 0.00 C ATOM 404 O THR A 28 4.352 6.431 -9.305 1.00 0.00 O ATOM 405 CB THR A 28 7.488 7.459 -10.047 1.00 0.00 C ATOM 406 OG1 THR A 28 8.229 6.329 -9.629 1.00 0.00 O ATOM 407 CG2 THR A 28 8.491 8.614 -10.162 1.00 0.00 C ATOM 0 H THR A 28 7.357 6.554 -7.854 1.00 0.00 H new ATOM 0 HA THR A 28 6.270 8.911 -8.987 1.00 0.00 H new ATOM 0 HB THR A 28 7.005 7.236 -10.999 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.950 6.156 -10.269 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.305 8.324 -10.827 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.989 9.493 -10.565 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.893 8.846 -9.176 1.00 0.00 H new ATOM 415 N SER A 29 4.464 8.220 -10.683 1.00 0.00 N ATOM 416 CA SER A 29 3.134 8.108 -11.290 1.00 0.00 C ATOM 417 C SER A 29 2.861 6.682 -11.774 1.00 0.00 C ATOM 418 O SER A 29 1.876 6.078 -11.352 1.00 0.00 O ATOM 419 CB SER A 29 2.935 9.134 -12.422 1.00 0.00 C ATOM 420 OG SER A 29 3.332 10.443 -12.036 1.00 0.00 O ATOM 0 H SER A 29 5.015 8.977 -11.088 1.00 0.00 H new ATOM 0 HA SER A 29 2.404 8.339 -10.514 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.509 8.825 -13.295 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.886 9.147 -12.718 1.00 0.00 H new ATOM 0 HG SER A 29 3.191 11.061 -12.783 1.00 0.00 H new ATOM 426 N SER A 30 3.760 6.133 -12.594 1.00 0.00 N ATOM 427 CA SER A 30 3.759 4.735 -12.999 1.00 0.00 C ATOM 428 C SER A 30 5.054 4.091 -12.504 1.00 0.00 C ATOM 429 O SER A 30 5.824 3.540 -13.286 1.00 0.00 O ATOM 430 CB SER A 30 3.580 4.607 -14.518 1.00 0.00 C ATOM 431 OG SER A 30 2.338 5.132 -14.963 1.00 0.00 O ATOM 0 H SER A 30 4.527 6.667 -13.003 1.00 0.00 H new ATOM 0 HA SER A 30 2.915 4.209 -12.552 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.393 5.129 -15.022 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.650 3.557 -14.802 1.00 0.00 H new ATOM 0 HG SER A 30 2.269 5.030 -15.935 1.00 0.00 H new ATOM 437 N GLN A 31 5.313 4.177 -11.195 1.00 0.00 N ATOM 438 CA GLN A 31 6.281 3.292 -10.564 1.00 0.00 C ATOM 439 C GLN A 31 5.821 1.855 -10.820 1.00 0.00 C ATOM 440 O GLN A 31 4.619 1.574 -10.753 1.00 0.00 O ATOM 441 CB GLN A 31 6.313 3.554 -9.055 1.00 0.00 C ATOM 442 CG GLN A 31 7.449 2.872 -8.314 1.00 0.00 C ATOM 443 CD GLN A 31 8.752 3.654 -8.300 1.00 0.00 C ATOM 444 OE1 GLN A 31 9.434 3.750 -9.317 1.00 0.00 O ATOM 445 NE2 GLN A 31 9.107 4.232 -7.162 1.00 0.00 N ATOM 0 H GLN A 31 4.869 4.844 -10.564 1.00 0.00 H new ATOM 0 HA GLN A 31 7.279 3.461 -10.970 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.383 4.629 -8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.368 3.226 -8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.138 2.691 -7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.629 1.898 -8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.519 4.133 -6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.969 4.776 -7.113 1.00 0.00 H new ATOM 454 N THR A 32 6.764 0.938 -11.022 1.00 0.00 N ATOM 455 CA THR A 32 6.493 -0.494 -11.067 1.00 0.00 C ATOM 456 C THR A 32 7.482 -1.300 -10.225 1.00 0.00 C ATOM 457 O THR A 32 7.319 -2.511 -10.069 1.00 0.00 O ATOM 458 CB THR A 32 6.461 -0.967 -12.518 1.00 0.00 C ATOM 459 OG1 THR A 32 7.640 -0.619 -13.213 1.00 0.00 O ATOM 460 CG2 THR A 32 5.279 -0.362 -13.276 1.00 0.00 C ATOM 0 H THR A 32 7.747 1.172 -11.160 1.00 0.00 H new ATOM 0 HA THR A 32 5.513 -0.669 -10.622 1.00 0.00 H new ATOM 0 HB THR A 32 6.367 -2.052 -12.475 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.582 -0.940 -14.137 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.286 -0.719 -14.306 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.347 -0.660 -12.795 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.360 0.725 -13.269 1.00 0.00 H new ATOM 468 N LYS A 33 8.476 -0.643 -9.622 1.00 0.00 N ATOM 469 CA LYS A 33 9.451 -1.278 -8.740 1.00 0.00 C ATOM 470 C LYS A 33 9.703 -0.391 -7.541 1.00 0.00 C ATOM 471 O LYS A 33 9.452 0.812 -7.577 1.00 0.00 O ATOM 472 CB LYS A 33 10.780 -1.579 -9.447 1.00 0.00 C ATOM 473 CG LYS A 33 10.703 -2.828 -10.340 1.00 0.00 C ATOM 474 CD LYS A 33 10.892 -2.508 -11.827 1.00 0.00 C ATOM 475 CE LYS A 33 12.326 -2.025 -12.079 1.00 0.00 C ATOM 476 NZ LYS A 33 12.528 -1.549 -13.458 1.00 0.00 N ATOM 0 H LYS A 33 8.626 0.359 -9.736 1.00 0.00 H new ATOM 0 HA LYS A 33 9.029 -2.233 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.068 -0.720 -10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.562 -1.718 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.466 -3.541 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.737 -3.312 -10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.687 -3.394 -12.428 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.181 -1.742 -12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.562 -1.221 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.021 -2.839 -11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.512 -1.234 -13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.330 -2.322 -14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.885 -0.754 -13.649 1.00 0.00 H new ATOM 490 N ALA A 34 10.151 -1.000 -6.455 1.00 0.00 N ATOM 491 CA ALA A 34 10.379 -0.301 -5.215 1.00 0.00 C ATOM 492 C ALA A 34 11.490 0.734 -5.368 1.00 0.00 C ATOM 493 O ALA A 34 12.330 0.633 -6.265 1.00 0.00 O ATOM 494 CB ALA A 34 10.706 -1.320 -4.117 1.00 0.00 C ATOM 0 H ALA A 34 10.365 -1.996 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 34 9.477 0.242 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.880 -0.798 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.870 -2.010 -4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.601 -1.878 -4.393 1.00 0.00 H new ATOM 500 N PRO A 35 11.488 1.729 -4.473 1.00 0.00 N ATOM 501 CA PRO A 35 12.497 2.770 -4.432 1.00 0.00 C ATOM 502 C PRO A 35 13.869 2.233 -4.019 1.00 0.00 C ATOM 503 O PRO A 35 14.865 2.740 -4.530 1.00 0.00 O ATOM 504 CB PRO A 35 11.969 3.804 -3.434 1.00 0.00 C ATOM 505 CG PRO A 35 11.023 2.997 -2.544 1.00 0.00 C ATOM 506 CD PRO A 35 10.450 1.977 -3.492 1.00 0.00 C ATOM 0 HA PRO A 35 12.656 3.204 -5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.777 4.252 -2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.448 4.618 -3.938 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.552 2.525 -1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.245 3.625 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.181 1.061 -2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.543 2.350 -3.967 1.00 0.00 H new ATOM 514 N ASN A 36 13.907 1.259 -3.100 1.00 0.00 N ATOM 515 CA ASN A 36 15.089 0.629 -2.520 1.00 0.00 C ATOM 516 C ASN A 36 14.682 -0.753 -1.996 1.00 0.00 C ATOM 517 O ASN A 36 13.488 -1.049 -1.870 1.00 0.00 O ATOM 518 CB ASN A 36 15.611 1.477 -1.345 1.00 0.00 C ATOM 519 CG ASN A 36 16.495 2.631 -1.795 1.00 0.00 C ATOM 520 OD1 ASN A 36 17.384 2.486 -2.626 1.00 0.00 O ATOM 521 ND2 ASN A 36 16.307 3.819 -1.247 1.00 0.00 N ATOM 0 H ASN A 36 13.047 0.866 -2.718 1.00 0.00 H new ATOM 0 HA ASN A 36 15.873 0.543 -3.273 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.764 1.872 -0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.174 0.838 -0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 36 16.899 4.605 -1.517 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.570 3.950 -0.554 1.00 0.00 H new ATOM 528 N VAL A 37 15.663 -1.573 -1.616 1.00 0.00 N ATOM 529 CA VAL A 37 15.501 -2.892 -1.023 1.00 0.00 C ATOM 530 C VAL A 37 14.794 -2.763 0.335 1.00 0.00 C ATOM 531 O VAL A 37 15.363 -2.316 1.337 1.00 0.00 O ATOM 532 CB VAL A 37 16.871 -3.592 -0.913 1.00 0.00 C ATOM 533 CG1 VAL A 37 16.692 -5.061 -0.522 1.00 0.00 C ATOM 534 CG2 VAL A 37 17.673 -3.576 -2.222 1.00 0.00 C ATOM 0 H VAL A 37 16.644 -1.316 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 37 14.874 -3.516 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 37 17.418 -3.031 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.669 -5.540 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.185 -5.122 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.095 -5.569 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.625 -4.085 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.107 -4.087 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.857 -2.545 -2.523 1.00 0.00 H new ATOM 544 N LEU A 38 13.515 -3.129 0.373 1.00 0.00 N ATOM 545 CA LEU A 38 12.699 -3.102 1.577 1.00 0.00 C ATOM 546 C LEU A 38 13.124 -4.258 2.484 1.00 0.00 C ATOM 547 O LEU A 38 12.931 -5.421 2.136 1.00 0.00 O ATOM 548 CB LEU A 38 11.204 -3.146 1.219 1.00 0.00 C ATOM 549 CG LEU A 38 10.725 -2.006 0.296 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.207 -2.094 0.134 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.084 -0.613 0.828 1.00 0.00 C ATOM 0 H LEU A 38 13.010 -3.458 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 38 12.854 -2.170 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.988 -4.100 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.623 -3.116 2.141 1.00 0.00 H new ATOM 0 HG LEU A 38 11.235 -2.133 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.863 -1.290 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.943 -3.056 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.731 -1.999 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.721 0.146 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.621 -0.466 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.166 -0.528 0.924 1.00 0.00 H new ATOM 563 N LYS A 39 13.714 -3.944 3.645 1.00 0.00 N ATOM 564 CA LYS A 39 14.174 -4.940 4.624 1.00 0.00 C ATOM 565 C LYS A 39 13.211 -5.113 5.795 1.00 0.00 C ATOM 566 O LYS A 39 12.404 -4.221 6.067 1.00 0.00 O ATOM 567 CB LYS A 39 15.556 -4.531 5.150 1.00 0.00 C ATOM 568 CG LYS A 39 16.667 -4.569 4.088 1.00 0.00 C ATOM 569 CD LYS A 39 17.746 -3.526 4.380 1.00 0.00 C ATOM 570 CE LYS A 39 17.252 -2.141 3.966 1.00 0.00 C ATOM 571 NZ LYS A 39 18.147 -1.074 4.453 1.00 0.00 N ATOM 0 H LYS A 39 13.888 -2.982 3.935 1.00 0.00 H new ATOM 0 HA LYS A 39 14.224 -5.900 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.494 -3.523 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.831 -5.192 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.115 -5.562 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.238 -4.387 3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.993 -3.532 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.660 -3.773 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.182 -2.089 2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.248 -1.981 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.779 -0.149 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.194 -1.107 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.099 -1.213 4.059 1.00 0.00 H new ATOM 585 N GLY A 40 13.344 -6.203 6.554 1.00 0.00 N ATOM 586 CA GLY A 40 12.714 -6.357 7.869 1.00 0.00 C ATOM 587 C GLY A 40 11.396 -7.136 7.866 1.00 0.00 C ATOM 588 O GLY A 40 10.789 -7.323 8.916 1.00 0.00 O ATOM 0 H GLY A 40 13.897 -7.012 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.415 -6.861 8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.533 -5.367 8.287 1.00 0.00 H new ATOM 592 N ASN A 41 10.920 -7.578 6.701 1.00 0.00 N ATOM 593 CA ASN A 41 9.770 -8.458 6.423 1.00 0.00 C ATOM 594 C ASN A 41 8.425 -7.780 6.672 1.00 0.00 C ATOM 595 O ASN A 41 7.425 -8.173 6.073 1.00 0.00 O ATOM 596 CB ASN A 41 9.854 -9.797 7.173 1.00 0.00 C ATOM 597 CG ASN A 41 9.054 -10.932 6.524 1.00 0.00 C ATOM 598 OD1 ASN A 41 9.599 -11.940 6.102 1.00 0.00 O ATOM 599 ND2 ASN A 41 7.737 -10.857 6.413 1.00 0.00 N ATOM 0 H ASN A 41 11.376 -7.302 5.832 1.00 0.00 H new ATOM 0 HA ASN A 41 9.829 -8.674 5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.900 -10.097 7.241 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.497 -9.653 8.193 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.217 -11.624 5.988 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.243 -10.032 6.753 1.00 0.00 H new ATOM 606 N LYS A 42 8.377 -6.772 7.537 1.00 0.00 N ATOM 607 CA LYS A 42 7.164 -6.009 7.800 1.00 0.00 C ATOM 608 C LYS A 42 7.157 -4.872 6.795 1.00 0.00 C ATOM 609 O LYS A 42 7.896 -3.892 6.921 1.00 0.00 O ATOM 610 CB LYS A 42 7.057 -5.549 9.262 1.00 0.00 C ATOM 611 CG LYS A 42 7.137 -6.676 10.306 1.00 0.00 C ATOM 612 CD LYS A 42 6.146 -7.822 10.050 1.00 0.00 C ATOM 613 CE LYS A 42 6.149 -8.777 11.245 1.00 0.00 C ATOM 614 NZ LYS A 42 5.328 -9.982 11.005 1.00 0.00 N ATOM 0 H LYS A 42 9.184 -6.460 8.078 1.00 0.00 H new ATOM 0 HA LYS A 42 6.274 -6.625 7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.854 -4.833 9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.113 -5.020 9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.150 -7.078 10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.949 -6.258 11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.144 -7.422 9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.421 -8.358 9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.174 -9.077 11.465 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.774 -8.255 12.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.362 -10.598 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.344 -9.701 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.700 -10.497 10.182 1.00 0.00 H new ATOM 628 N LEU A 43 6.431 -5.103 5.712 1.00 0.00 N ATOM 629 CA LEU A 43 6.305 -4.231 4.565 1.00 0.00 C ATOM 630 C LEU A 43 5.179 -3.251 4.874 1.00 0.00 C ATOM 631 O LEU A 43 4.055 -3.680 5.149 1.00 0.00 O ATOM 632 CB LEU A 43 5.996 -5.113 3.344 1.00 0.00 C ATOM 633 CG LEU A 43 6.632 -4.598 2.051 1.00 0.00 C ATOM 634 CD1 LEU A 43 6.393 -5.627 0.950 1.00 0.00 C ATOM 635 CD2 LEU A 43 6.059 -3.256 1.600 1.00 0.00 C ATOM 0 H LEU A 43 5.883 -5.957 5.609 1.00 0.00 H new ATOM 0 HA LEU A 43 7.211 -3.664 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.350 -6.126 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.916 -5.173 3.211 1.00 0.00 H new ATOM 0 HG LEU A 43 7.695 -4.450 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.840 -5.276 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.846 -6.576 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.321 -5.765 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.549 -2.942 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.988 -3.358 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.230 -2.508 2.374 1.00 0.00 H new ATOM 647 N TYR A 44 5.455 -1.951 4.854 1.00 0.00 N ATOM 648 CA TYR A 44 4.503 -0.924 5.238 1.00 0.00 C ATOM 649 C TYR A 44 4.067 -0.169 3.991 1.00 0.00 C ATOM 650 O TYR A 44 4.853 0.557 3.388 1.00 0.00 O ATOM 651 CB TYR A 44 5.117 -0.020 6.312 1.00 0.00 C ATOM 652 CG TYR A 44 5.520 -0.748 7.586 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.635 -1.640 8.225 1.00 0.00 C ATOM 654 CD2 TYR A 44 6.778 -0.491 8.156 1.00 0.00 C ATOM 655 CE1 TYR A 44 5.006 -2.291 9.415 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.147 -1.120 9.357 1.00 0.00 C ATOM 657 CZ TYR A 44 6.278 -2.044 9.982 1.00 0.00 C ATOM 658 OH TYR A 44 6.635 -2.671 11.137 1.00 0.00 O ATOM 0 H TYR A 44 6.360 -1.580 4.566 1.00 0.00 H new ATOM 0 HA TYR A 44 3.610 -1.364 5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.995 0.474 5.896 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.401 0.762 6.565 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.661 -1.825 7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.462 0.190 7.671 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.323 -2.977 9.894 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.103 -0.896 9.807 1.00 0.00 H new ATOM 0 HH TYR A 44 7.545 -2.406 11.385 1.00 0.00 H new ATOM 668 N VAL A 45 2.813 -0.350 3.588 1.00 0.00 N ATOM 669 CA VAL A 45 2.197 0.401 2.498 1.00 0.00 C ATOM 670 C VAL A 45 1.383 1.548 3.094 1.00 0.00 C ATOM 671 O VAL A 45 0.829 1.413 4.191 1.00 0.00 O ATOM 672 CB VAL A 45 1.318 -0.563 1.680 1.00 0.00 C ATOM 673 CG1 VAL A 45 0.387 0.152 0.699 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.166 -1.568 0.899 1.00 0.00 C ATOM 0 H VAL A 45 2.187 -1.032 4.015 1.00 0.00 H new ATOM 0 HA VAL A 45 2.946 0.829 1.832 1.00 0.00 H new ATOM 0 HB VAL A 45 0.704 -1.081 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.204 -0.585 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.279 0.817 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.980 0.734 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.513 -2.233 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.823 -1.034 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.767 -2.155 1.594 1.00 0.00 H new ATOM 684 N LYS A 46 1.236 2.633 2.334 1.00 0.00 N ATOM 685 CA LYS A 46 0.388 3.774 2.645 1.00 0.00 C ATOM 686 C LYS A 46 -0.528 4.021 1.441 1.00 0.00 C ATOM 687 O LYS A 46 -0.469 5.057 0.796 1.00 0.00 O ATOM 688 CB LYS A 46 1.331 4.927 3.015 1.00 0.00 C ATOM 689 CG LYS A 46 0.639 6.250 3.347 1.00 0.00 C ATOM 690 CD LYS A 46 1.003 7.359 2.363 1.00 0.00 C ATOM 691 CE LYS A 46 2.456 7.783 2.586 1.00 0.00 C ATOM 692 NZ LYS A 46 2.727 9.083 1.955 1.00 0.00 N ATOM 0 H LYS A 46 1.728 2.741 1.447 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.282 3.631 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.932 4.624 3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.020 5.093 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.441 6.103 3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.914 6.558 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.868 7.010 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.339 8.213 2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.661 7.843 3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.126 7.028 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.719 9.349 2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.552 9.015 0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.102 9.805 2.366 1.00 0.00 H new ATOM 706 N ALA A 47 -1.372 3.038 1.113 1.00 0.00 N ATOM 707 CA ALA A 47 -2.183 3.059 -0.098 1.00 0.00 C ATOM 708 C ALA A 47 -3.274 4.128 -0.001 1.00 0.00 C ATOM 709 O ALA A 47 -4.000 4.168 0.994 1.00 0.00 O ATOM 710 CB ALA A 47 -2.719 1.654 -0.387 1.00 0.00 C ATOM 0 H ALA A 47 -1.509 2.205 1.685 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.569 3.342 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.325 1.675 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.884 0.967 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.331 1.319 0.451 1.00 0.00 H new ATOM 716 N ARG A 48 -3.412 4.998 -1.008 1.00 0.00 N ATOM 717 CA ARG A 48 -4.449 6.028 -1.064 1.00 0.00 C ATOM 718 C ARG A 48 -5.712 5.421 -1.646 1.00 0.00 C ATOM 719 O ARG A 48 -5.745 5.044 -2.817 1.00 0.00 O ATOM 720 CB ARG A 48 -3.966 7.221 -1.890 1.00 0.00 C ATOM 721 CG ARG A 48 -5.079 8.259 -2.140 1.00 0.00 C ATOM 722 CD ARG A 48 -4.563 9.687 -1.968 1.00 0.00 C ATOM 723 NE ARG A 48 -3.501 10.029 -2.935 1.00 0.00 N ATOM 724 CZ ARG A 48 -3.630 10.527 -4.175 1.00 0.00 C ATOM 725 NH1 ARG A 48 -4.829 10.752 -4.703 1.00 0.00 N ATOM 726 NH2 ARG A 48 -2.552 10.786 -4.905 1.00 0.00 N ATOM 0 H ARG A 48 -2.794 5.004 -1.820 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.667 6.395 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.135 7.702 -1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.585 6.865 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.475 8.133 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.903 8.083 -1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.392 10.385 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.180 9.811 -0.955 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.545 9.866 -2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.670 10.546 -4.164 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.908 11.131 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.623 10.607 -4.524 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.653 11.164 -5.847 1.00 0.00 H new ATOM 740 N PHE A 49 -6.745 5.302 -0.825 1.00 0.00 N ATOM 741 CA PHE A 49 -8.075 4.841 -1.196 1.00 0.00 C ATOM 742 C PHE A 49 -8.918 6.106 -1.271 1.00 0.00 C ATOM 743 O PHE A 49 -9.255 6.664 -0.223 1.00 0.00 O ATOM 744 CB PHE A 49 -8.621 3.859 -0.142 1.00 0.00 C ATOM 745 CG PHE A 49 -7.930 2.501 -0.078 1.00 0.00 C ATOM 746 CD1 PHE A 49 -8.330 1.400 -0.865 1.00 0.00 C ATOM 747 CD2 PHE A 49 -6.827 2.339 0.776 1.00 0.00 C ATOM 748 CE1 PHE A 49 -7.667 0.163 -0.735 1.00 0.00 C ATOM 749 CE2 PHE A 49 -6.108 1.144 0.841 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.546 0.036 0.101 1.00 0.00 C ATOM 0 H PHE A 49 -6.675 5.535 0.165 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.081 4.299 -2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.547 4.330 0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.681 3.697 -0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.144 1.505 -1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.525 3.165 1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.025 -0.696 -1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.223 1.073 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.025 -0.907 0.174 1.00 0.00 H new ATOM 760 N MET A 50 -9.168 6.618 -2.479 1.00 0.00 N ATOM 761 CA MET A 50 -10.080 7.748 -2.653 1.00 0.00 C ATOM 762 C MET A 50 -11.473 7.148 -2.754 1.00 0.00 C ATOM 763 O MET A 50 -11.720 6.416 -3.707 1.00 0.00 O ATOM 764 CB MET A 50 -9.777 8.574 -3.914 1.00 0.00 C ATOM 765 CG MET A 50 -8.304 8.950 -4.110 1.00 0.00 C ATOM 766 SD MET A 50 -7.796 10.600 -3.563 1.00 0.00 S ATOM 767 CE MET A 50 -8.319 10.525 -1.841 1.00 0.00 C ATOM 0 H MET A 50 -8.754 6.270 -3.344 1.00 0.00 H new ATOM 0 HA MET A 50 -9.975 8.436 -1.814 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.111 8.012 -4.786 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.368 9.490 -3.880 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.694 8.216 -3.583 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.069 8.858 -5.170 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.813 11.306 -1.273 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.397 10.674 -1.781 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.064 9.550 -1.425 1.00 0.00 H new ATOM 777 N GLY A 51 -12.336 7.416 -1.783 1.00 0.00 N ATOM 778 CA GLY A 51 -13.691 6.878 -1.684 1.00 0.00 C ATOM 779 C GLY A 51 -13.759 5.649 -0.769 1.00 0.00 C ATOM 780 O GLY A 51 -12.741 4.989 -0.518 1.00 0.00 O ATOM 0 H GLY A 51 -12.104 8.040 -1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.360 7.650 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.047 6.609 -2.678 1.00 0.00 H new ATOM 784 N TYR A 52 -14.943 5.339 -0.229 1.00 0.00 N ATOM 785 CA TYR A 52 -15.141 4.261 0.739 1.00 0.00 C ATOM 786 C TYR A 52 -14.934 2.891 0.092 1.00 0.00 C ATOM 787 O TYR A 52 -15.552 2.567 -0.926 1.00 0.00 O ATOM 788 CB TYR A 52 -16.550 4.334 1.363 1.00 0.00 C ATOM 789 CG TYR A 52 -16.590 4.923 2.761 1.00 0.00 C ATOM 790 CD1 TYR A 52 -16.198 4.157 3.879 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.049 6.236 2.948 1.00 0.00 C ATOM 792 CE1 TYR A 52 -16.268 4.707 5.175 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.116 6.797 4.232 1.00 0.00 C ATOM 794 CZ TYR A 52 -16.721 6.037 5.353 1.00 0.00 C ATOM 795 OH TYR A 52 -16.802 6.607 6.587 1.00 0.00 O ATOM 0 H TYR A 52 -15.802 5.839 -0.458 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.398 4.390 1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.191 4.930 0.713 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -16.972 3.330 1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -15.843 3.146 3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.354 6.821 2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -15.977 4.115 6.030 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.469 7.809 4.362 1.00 0.00 H new ATOM 0 HH TYR A 52 -17.134 7.525 6.502 1.00 0.00 H new ATOM 805 N THR A 53 -14.151 2.050 0.759 1.00 0.00 N ATOM 806 CA THR A 53 -14.154 0.602 0.624 1.00 0.00 C ATOM 807 C THR A 53 -13.828 0.014 1.996 1.00 0.00 C ATOM 808 O THR A 53 -13.127 0.638 2.799 1.00 0.00 O ATOM 809 CB THR A 53 -13.169 0.156 -0.474 1.00 0.00 C ATOM 810 OG1 THR A 53 -13.036 -1.251 -0.473 1.00 0.00 O ATOM 811 CG2 THR A 53 -11.774 0.785 -0.318 1.00 0.00 C ATOM 0 H THR A 53 -13.466 2.377 1.440 1.00 0.00 H new ATOM 0 HA THR A 53 -15.130 0.235 0.306 1.00 0.00 H new ATOM 0 HB THR A 53 -13.589 0.501 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.999 -1.577 -1.397 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.125 0.433 -1.120 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.857 1.871 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.351 0.497 0.644 1.00 0.00 H new ATOM 819 N LYS A 54 -14.301 -1.209 2.238 1.00 0.00 N ATOM 820 CA LYS A 54 -13.904 -2.074 3.342 1.00 0.00 C ATOM 821 C LYS A 54 -13.765 -3.520 2.833 1.00 0.00 C ATOM 822 O LYS A 54 -14.106 -4.475 3.537 1.00 0.00 O ATOM 823 CB LYS A 54 -14.891 -1.899 4.518 1.00 0.00 C ATOM 824 CG LYS A 54 -14.521 -0.734 5.459 1.00 0.00 C ATOM 825 CD LYS A 54 -14.184 -1.213 6.877 1.00 0.00 C ATOM 826 CE LYS A 54 -15.442 -1.719 7.587 1.00 0.00 C ATOM 827 NZ LYS A 54 -15.131 -2.441 8.841 1.00 0.00 N ATOM 0 H LYS A 54 -15.005 -1.641 1.639 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.925 -1.796 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.892 -1.732 4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.927 -2.824 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.667 -0.195 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.351 -0.029 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.441 -2.009 6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.742 -0.396 7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.095 -0.875 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.993 -2.380 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.015 -2.764 9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.530 -3.263 8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.629 -1.805 9.493 1.00 0.00 H new ATOM 841 N LEU A 55 -13.324 -3.687 1.583 1.00 0.00 N ATOM 842 CA LEU A 55 -13.091 -4.966 0.934 1.00 0.00 C ATOM 843 C LEU A 55 -11.676 -4.948 0.364 1.00 0.00 C ATOM 844 O LEU A 55 -11.489 -4.795 -0.842 1.00 0.00 O ATOM 845 CB LEU A 55 -14.122 -5.246 -0.174 1.00 0.00 C ATOM 846 CG LEU A 55 -15.585 -5.451 0.265 1.00 0.00 C ATOM 847 CD1 LEU A 55 -16.341 -4.122 0.423 1.00 0.00 C ATOM 848 CD2 LEU A 55 -16.281 -6.306 -0.797 1.00 0.00 C ATOM 0 H LEU A 55 -13.113 -2.896 0.975 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.201 -5.768 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.094 -4.416 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.803 -6.137 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.588 -5.940 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.367 -4.322 0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.846 -3.509 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.347 -3.591 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.320 -6.467 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.245 -5.793 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.774 -7.268 -0.879 1.00 0.00 H new ATOM 860 N THR A 56 -10.667 -5.042 1.226 1.00 0.00 N ATOM 861 CA THR A 56 -9.268 -5.020 0.824 1.00 0.00 C ATOM 862 C THR A 56 -8.800 -6.471 0.627 1.00 0.00 C ATOM 863 O THR A 56 -9.001 -7.315 1.509 1.00 0.00 O ATOM 864 CB THR A 56 -8.427 -4.293 1.896 1.00 0.00 C ATOM 865 OG1 THR A 56 -9.076 -3.151 2.436 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.105 -3.817 1.291 1.00 0.00 C ATOM 0 H THR A 56 -10.802 -5.136 2.233 1.00 0.00 H new ATOM 0 HA THR A 56 -9.143 -4.477 -0.113 1.00 0.00 H new ATOM 0 HB THR A 56 -8.272 -5.019 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.498 -2.734 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.519 -3.305 2.054 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.546 -4.675 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.307 -3.131 0.469 1.00 0.00 H new ATOM 874 N VAL A 57 -8.107 -6.769 -0.476 1.00 0.00 N ATOM 875 CA VAL A 57 -7.499 -8.065 -0.754 1.00 0.00 C ATOM 876 C VAL A 57 -5.999 -7.922 -1.063 1.00 0.00 C ATOM 877 O VAL A 57 -5.583 -7.338 -2.074 1.00 0.00 O ATOM 878 CB VAL A 57 -8.290 -8.782 -1.864 1.00 0.00 C ATOM 879 CG1 VAL A 57 -7.660 -10.132 -2.237 1.00 0.00 C ATOM 880 CG2 VAL A 57 -9.756 -9.014 -1.464 1.00 0.00 C ATOM 0 H VAL A 57 -7.951 -6.090 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.553 -8.693 0.135 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.255 -8.120 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.249 -10.604 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.642 -9.973 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.641 -10.779 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.278 -9.522 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.795 -9.629 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.236 -8.055 -1.268 1.00 0.00 H new ATOM 890 N ILE A 58 -5.169 -8.537 -0.225 1.00 0.00 N ATOM 891 CA ILE A 58 -3.744 -8.738 -0.415 1.00 0.00 C ATOM 892 C ILE A 58 -3.614 -10.253 -0.590 1.00 0.00 C ATOM 893 O ILE A 58 -3.362 -10.976 0.363 1.00 0.00 O ATOM 894 CB ILE A 58 -2.948 -8.176 0.790 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.218 -6.683 1.097 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.445 -8.339 0.517 1.00 0.00 C ATOM 897 CD1 ILE A 58 -3.144 -6.367 2.598 1.00 0.00 C ATOM 0 H ILE A 58 -5.498 -8.930 0.657 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.330 -8.210 -1.274 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.281 -8.745 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.492 -6.069 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.204 -6.411 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.877 -7.946 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.212 -9.395 0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.178 -7.792 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.341 -5.307 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.888 -6.958 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.150 -6.611 2.973 1.00 0.00 H new ATOM 909 N THR A 59 -3.878 -10.750 -1.794 1.00 0.00 N ATOM 910 CA THR A 59 -4.158 -12.147 -2.121 1.00 0.00 C ATOM 911 C THR A 59 -3.117 -13.139 -1.577 1.00 0.00 C ATOM 912 O THR A 59 -3.495 -14.203 -1.085 1.00 0.00 O ATOM 913 CB THR A 59 -4.295 -12.277 -3.655 1.00 0.00 C ATOM 914 OG1 THR A 59 -4.263 -11.011 -4.311 1.00 0.00 O ATOM 915 CG2 THR A 59 -5.592 -12.981 -4.060 1.00 0.00 C ATOM 0 H THR A 59 -3.904 -10.152 -2.620 1.00 0.00 H new ATOM 0 HA THR A 59 -5.090 -12.417 -1.625 1.00 0.00 H new ATOM 0 HB THR A 59 -3.437 -12.873 -3.967 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.351 -11.141 -5.278 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.645 -13.050 -5.147 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.611 -13.983 -3.632 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.445 -12.412 -3.690 1.00 0.00 H new ATOM 923 N GLY A 60 -1.833 -12.781 -1.645 1.00 0.00 N ATOM 924 CA GLY A 60 -0.712 -13.648 -1.309 1.00 0.00 C ATOM 925 C GLY A 60 -0.468 -14.683 -2.396 1.00 0.00 C ATOM 926 O GLY A 60 -1.142 -14.678 -3.431 1.00 0.00 O ATOM 0 H GLY A 60 -1.541 -11.851 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.186 -13.047 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.910 -14.151 -0.363 1.00 0.00 H new ATOM 930 N LYS A 61 0.525 -15.540 -2.168 1.00 0.00 N ATOM 931 CA LYS A 61 0.841 -16.688 -3.007 1.00 0.00 C ATOM 932 C LYS A 61 -0.225 -17.764 -2.887 1.00 0.00 C ATOM 933 O LYS A 61 -0.533 -18.430 -3.872 1.00 0.00 O ATOM 934 CB LYS A 61 2.239 -17.229 -2.663 1.00 0.00 C ATOM 935 CG LYS A 61 2.466 -17.797 -1.251 1.00 0.00 C ATOM 936 CD LYS A 61 3.885 -18.370 -1.113 1.00 0.00 C ATOM 937 CE LYS A 61 5.021 -17.334 -1.107 1.00 0.00 C ATOM 938 NZ LYS A 61 6.321 -17.929 -1.487 1.00 0.00 N ATOM 0 H LYS A 61 1.151 -15.449 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 61 0.852 -16.366 -4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.480 -18.013 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.956 -16.423 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.312 -17.013 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.733 -18.577 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.937 -18.945 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.057 -19.067 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.777 -16.526 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.102 -16.892 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.057 -17.195 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.568 -18.683 -0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.253 -18.328 -2.445 1.00 0.00 H new ATOM 952 N ASP A 62 -0.845 -17.871 -1.716 1.00 0.00 N ATOM 953 CA ASP A 62 -1.910 -18.822 -1.441 1.00 0.00 C ATOM 954 C ASP A 62 -3.234 -18.402 -2.089 1.00 0.00 C ATOM 955 O ASP A 62 -4.194 -19.169 -2.078 1.00 0.00 O ATOM 956 CB ASP A 62 -2.096 -18.946 0.073 1.00 0.00 C ATOM 957 CG ASP A 62 -0.880 -19.512 0.796 1.00 0.00 C ATOM 958 OD1 ASP A 62 -0.584 -20.724 0.658 1.00 0.00 O ATOM 959 OD2 ASP A 62 -0.249 -18.739 1.545 1.00 0.00 O ATOM 0 H ASP A 62 -0.613 -17.284 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.623 -19.783 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.326 -17.963 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.956 -19.585 0.273 1.00 0.00 H new ATOM 964 N GLY A 63 -3.343 -17.179 -2.627 1.00 0.00 N ATOM 965 CA GLY A 63 -4.592 -16.692 -3.198 1.00 0.00 C ATOM 966 C GLY A 63 -5.710 -16.538 -2.156 1.00 0.00 C ATOM 967 O GLY A 63 -6.874 -16.393 -2.531 1.00 0.00 O ATOM 0 H GLY A 63 -2.573 -16.511 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.415 -15.729 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.921 -17.380 -3.977 1.00 0.00 H new ATOM 971 N LYS A 64 -5.392 -16.554 -0.855 1.00 0.00 N ATOM 972 CA LYS A 64 -6.378 -16.666 0.229 1.00 0.00 C ATOM 973 C LYS A 64 -6.582 -15.365 1.003 1.00 0.00 C ATOM 974 O LYS A 64 -7.271 -15.375 2.014 1.00 0.00 O ATOM 975 CB LYS A 64 -6.108 -17.886 1.120 1.00 0.00 C ATOM 976 CG LYS A 64 -4.866 -17.731 1.994 1.00 0.00 C ATOM 977 CD LYS A 64 -5.144 -17.611 3.498 1.00 0.00 C ATOM 978 CE LYS A 64 -5.480 -18.961 4.152 1.00 0.00 C ATOM 979 NZ LYS A 64 -6.820 -19.018 4.782 1.00 0.00 N ATOM 0 H LYS A 64 -4.430 -16.489 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.343 -16.846 -0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.974 -18.060 1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.994 -18.769 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.213 -18.588 1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.319 -16.846 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.272 -17.181 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.972 -16.920 3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.413 -19.744 3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.727 -19.183 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.968 -19.959 5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.884 -18.295 5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.550 -18.839 4.063 1.00 0.00 H new ATOM 993 N ASN A 65 -6.016 -14.255 0.531 1.00 0.00 N ATOM 994 CA ASN A 65 -6.016 -12.950 1.187 1.00 0.00 C ATOM 995 C ASN A 65 -5.271 -13.007 2.520 1.00 0.00 C ATOM 996 O ASN A 65 -5.814 -13.402 3.548 1.00 0.00 O ATOM 997 CB ASN A 65 -7.425 -12.343 1.341 1.00 0.00 C ATOM 998 CG ASN A 65 -7.350 -10.871 1.744 1.00 0.00 C ATOM 999 OD1 ASN A 65 -6.269 -10.299 1.872 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -8.480 -10.204 1.896 1.00 0.00 N ATOM 0 H ASN A 65 -5.522 -14.242 -0.361 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.477 -12.271 0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.970 -12.439 0.402 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.984 -12.901 2.092 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.459 -9.209 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.374 -10.684 1.789 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.018 -12.566 2.519 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.138 -12.498 3.681 1.00 0.00 C ATOM 1009 C LEU A 66 -3.733 -11.674 4.817 1.00 0.00 C ATOM 1010 O LEU A 66 -3.398 -11.905 5.979 1.00 0.00 O ATOM 1011 CB LEU A 66 -1.791 -11.882 3.278 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.058 -12.678 2.189 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.245 -11.962 1.856 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.774 -14.113 2.634 1.00 0.00 C ATOM 0 H LEU A 66 -3.567 -12.230 1.668 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.006 -13.519 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.957 -10.864 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.153 -11.814 4.159 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.694 -12.734 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.777 -12.516 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.026 -10.957 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.865 -11.900 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.254 -14.645 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.151 -14.100 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.714 -14.618 2.855 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.623 -10.734 4.490 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.340 -9.932 5.462 1.00 0.00 C ATOM 1028 C LEU A 67 -6.333 -10.787 6.260 1.00 0.00 C ATOM 1029 O LEU A 67 -6.552 -10.536 7.448 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.046 -8.821 4.685 1.00 0.00 C ATOM 1031 CG LEU A 67 -6.515 -7.660 5.565 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -5.389 -6.679 5.881 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -7.670 -6.912 4.899 1.00 0.00 C ATOM 0 H LEU A 67 -4.864 -10.512 3.524 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.656 -9.505 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.370 -8.437 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.906 -9.243 4.166 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.853 -8.097 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.773 -5.874 6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.590 -7.200 6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.999 -6.262 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.989 -6.090 5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.341 -6.516 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.504 -7.596 4.743 1.00 0.00 H new ATOM 1045 N TYR A 68 -6.924 -11.799 5.615 1.00 0.00 N ATOM 1046 CA TYR A 68 -7.751 -12.818 6.254 1.00 0.00 C ATOM 1047 C TYR A 68 -6.884 -13.964 6.805 1.00 0.00 C ATOM 1048 O TYR A 68 -7.325 -14.664 7.713 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.818 -13.321 5.264 1.00 0.00 C ATOM 1050 CG TYR A 68 -9.770 -14.317 5.901 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -10.808 -13.861 6.737 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -9.551 -15.698 5.754 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -11.589 -14.782 7.455 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -10.322 -16.622 6.481 1.00 0.00 C ATOM 1055 CZ TYR A 68 -11.327 -16.164 7.354 1.00 0.00 C ATOM 1056 OH TYR A 68 -12.042 -17.040 8.111 1.00 0.00 O ATOM 0 H TYR A 68 -6.835 -11.932 4.608 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.267 -12.377 7.107 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.385 -12.472 4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.327 -13.786 4.409 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.004 -12.803 6.826 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.786 -16.051 5.079 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.392 -14.431 8.086 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.144 -17.681 6.370 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.742 -17.954 7.925 1.00 0.00 H new ATOM 1066 N ASN A 69 -5.656 -14.158 6.305 1.00 0.00 N ATOM 1067 CA ASN A 69 -4.720 -15.116 6.895 1.00 0.00 C ATOM 1068 C ASN A 69 -4.320 -14.662 8.295 1.00 0.00 C ATOM 1069 O ASN A 69 -4.416 -15.433 9.248 1.00 0.00 O ATOM 1070 CB ASN A 69 -3.471 -15.329 6.030 1.00 0.00 C ATOM 1071 CG ASN A 69 -2.811 -16.629 6.468 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -3.394 -17.694 6.310 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -1.621 -16.588 7.034 1.00 0.00 N ATOM 0 H ASN A 69 -5.290 -13.662 5.492 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.235 -16.075 6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.742 -15.376 4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.781 -14.493 6.145 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.175 -17.450 7.346 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.146 -15.694 7.159 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.902 -13.401 8.417 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.486 -12.761 9.657 1.00 0.00 C ATOM 1082 C GLY A 70 -2.107 -12.123 9.545 1.00 0.00 C ATOM 1083 O GLY A 70 -1.788 -11.219 10.314 1.00 0.00 O ATOM 0 H GLY A 70 -3.843 -12.773 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.215 -11.999 9.932 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.478 -13.499 10.459 1.00 0.00 H new ATOM 1087 N THR A 71 -1.308 -12.562 8.575 1.00 0.00 N ATOM 1088 CA THR A 71 0.059 -12.125 8.346 1.00 0.00 C ATOM 1089 C THR A 71 0.104 -10.661 7.901 1.00 0.00 C ATOM 1090 O THR A 71 1.131 -10.005 8.053 1.00 0.00 O ATOM 1091 CB THR A 71 0.652 -13.035 7.256 1.00 0.00 C ATOM 1092 OG1 THR A 71 0.246 -14.378 7.460 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.175 -12.979 7.222 1.00 0.00 C ATOM 0 H THR A 71 -1.613 -13.263 7.900 1.00 0.00 H new ATOM 0 HA THR A 71 0.635 -12.195 9.268 1.00 0.00 H new ATOM 0 HB THR A 71 0.275 -12.668 6.301 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.562 -14.932 6.716 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.546 -13.638 6.437 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.497 -11.957 7.021 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.573 -13.302 8.184 1.00 0.00 H new ATOM 1101 N ALA A 72 -0.993 -10.156 7.335 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.151 -8.766 6.962 1.00 0.00 C ATOM 1103 C ALA A 72 -2.351 -8.183 7.706 1.00 0.00 C ATOM 1104 O ALA A 72 -3.324 -8.889 7.999 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.371 -8.689 5.444 1.00 0.00 C ATOM 0 H ALA A 72 -1.813 -10.724 7.121 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.262 -8.193 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.492 -7.647 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.510 -9.116 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.267 -9.249 5.177 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.317 -6.881 7.981 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.300 -6.207 8.822 1.00 0.00 C ATOM 1113 C LYS A 73 -3.176 -4.687 8.667 1.00 0.00 C ATOM 1114 O LYS A 73 -2.208 -4.186 8.101 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.062 -6.727 10.257 1.00 0.00 C ATOM 1116 CG LYS A 73 -3.891 -6.022 11.324 1.00 0.00 C ATOM 1117 CD LYS A 73 -4.374 -6.993 12.416 1.00 0.00 C ATOM 1118 CE LYS A 73 -5.457 -6.343 13.286 1.00 0.00 C ATOM 1119 NZ LYS A 73 -6.431 -7.328 13.809 1.00 0.00 N ATOM 0 H LYS A 73 -1.595 -6.257 7.620 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.329 -6.425 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.285 -7.794 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.006 -6.615 10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.297 -5.230 11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.752 -5.545 10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.768 -7.899 11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.532 -7.293 13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.985 -5.825 14.121 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.985 -5.590 12.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.141 -6.839 14.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.903 -7.805 13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.934 -8.033 14.390 1.00 0.00 H new ATOM 1133 N MET A 74 -4.187 -3.925 9.090 1.00 0.00 N ATOM 1134 CA MET A 74 -4.121 -2.493 9.267 1.00 0.00 C ATOM 1135 C MET A 74 -3.858 -2.179 10.749 1.00 0.00 C ATOM 1136 O MET A 74 -4.349 -2.881 11.641 1.00 0.00 O ATOM 1137 CB MET A 74 -5.459 -1.946 8.770 1.00 0.00 C ATOM 1138 CG MET A 74 -6.575 -2.246 9.772 1.00 0.00 C ATOM 1139 SD MET A 74 -8.273 -2.021 9.205 1.00 0.00 S ATOM 1140 CE MET A 74 -8.052 -0.378 8.507 1.00 0.00 C ATOM 0 H MET A 74 -5.101 -4.312 9.324 1.00 0.00 H new ATOM 0 HA MET A 74 -3.309 -2.028 8.708 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.382 -0.870 8.616 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.702 -2.390 7.805 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.463 -3.278 10.103 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.424 -1.613 10.646 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.027 0.077 8.333 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.482 0.239 9.202 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.513 -0.453 7.563 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.151 -1.085 11.017 1.00 0.00 N ATOM 1151 CA PHE A 75 -2.739 -0.640 12.347 1.00 0.00 C ATOM 1152 C PHE A 75 -2.785 0.887 12.520 1.00 0.00 C ATOM 1153 O PHE A 75 -2.429 1.378 13.594 1.00 0.00 O ATOM 1154 CB PHE A 75 -1.325 -1.172 12.620 1.00 0.00 C ATOM 1155 CG PHE A 75 -0.262 -0.633 11.680 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.005 -1.278 10.454 1.00 0.00 C ATOM 1157 CD2 PHE A 75 0.490 0.504 12.040 1.00 0.00 C ATOM 1158 CE1 PHE A 75 1.022 -0.812 9.616 1.00 0.00 C ATOM 1159 CE2 PHE A 75 1.535 0.943 11.210 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.825 0.257 10.023 1.00 0.00 C ATOM 0 H PHE A 75 -2.835 -0.455 10.280 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.450 -1.039 13.070 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.047 -0.923 13.644 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.339 -2.260 12.549 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.598 -2.131 10.158 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.263 1.036 12.952 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.191 -1.280 8.657 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.116 1.810 11.487 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.671 0.555 9.421 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.195 1.662 11.505 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.205 3.125 11.556 1.00 0.00 C ATOM 1172 C LYS A 76 -4.222 3.639 10.550 1.00 0.00 C ATOM 1173 O LYS A 76 -4.158 3.228 9.387 1.00 0.00 O ATOM 1174 CB LYS A 76 -1.787 3.648 11.246 1.00 0.00 C ATOM 1175 CG LYS A 76 -1.727 5.181 11.257 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.293 5.711 11.107 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.269 7.247 11.077 1.00 0.00 C ATOM 1178 NZ LYS A 76 -0.690 7.855 12.358 1.00 0.00 N ATOM 0 H LYS A 76 -3.531 1.284 10.619 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.488 3.481 12.547 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.086 3.252 11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.469 3.279 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.343 5.572 10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.153 5.552 12.189 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.319 5.351 11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.148 5.320 10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.739 7.585 10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.924 7.600 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.574 8.887 12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.689 7.628 12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.104 7.478 13.130 1.00 0.00 H new ATOM 1192 N SER A 77 -5.127 4.534 10.941 1.00 0.00 N ATOM 1193 CA SER A 77 -6.109 5.124 10.046 1.00 0.00 C ATOM 1194 C SER A 77 -6.337 6.604 10.403 1.00 0.00 C ATOM 1195 O SER A 77 -6.971 6.921 11.409 1.00 0.00 O ATOM 1196 CB SER A 77 -7.384 4.272 10.056 1.00 0.00 C ATOM 1197 OG SER A 77 -7.961 4.054 11.334 1.00 0.00 O ATOM 0 H SER A 77 -5.196 4.871 11.901 1.00 0.00 H new ATOM 0 HA SER A 77 -5.743 5.124 9.019 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.126 4.752 9.418 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.157 3.304 9.609 1.00 0.00 H new ATOM 0 HG SER A 77 -7.909 4.878 11.861 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.873 7.520 9.565 1.00 0.00 N ATOM 1204 CA ASP A 78 -6.067 8.986 9.598 1.00 0.00 C ATOM 1205 C ASP A 78 -7.046 9.356 8.476 1.00 0.00 C ATOM 1206 O ASP A 78 -7.762 8.476 7.987 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.710 9.711 9.456 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.624 10.947 10.330 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.323 11.933 10.005 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -3.838 10.946 11.301 1.00 0.00 O ATOM 0 H ASP A 78 -5.298 7.245 8.769 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.486 9.303 10.553 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.905 9.025 9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.559 9.994 8.414 1.00 0.00 H new ATOM 1215 N ALA A 79 -7.147 10.632 8.098 1.00 0.00 N ATOM 1216 CA ALA A 79 -8.032 11.109 7.027 1.00 0.00 C ATOM 1217 C ALA A 79 -7.263 11.792 5.884 1.00 0.00 C ATOM 1218 O ALA A 79 -6.130 12.232 6.081 1.00 0.00 O ATOM 1219 CB ALA A 79 -9.049 12.066 7.649 1.00 0.00 C ATOM 0 H ALA A 79 -6.607 11.379 8.535 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.534 10.253 6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.721 12.437 6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.627 11.540 8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.526 12.905 8.108 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.874 11.914 4.696 1.00 0.00 N ATOM 1226 CA ILE A 80 -7.362 12.715 3.584 1.00 0.00 C ATOM 1227 C ILE A 80 -8.473 13.496 2.956 1.00 0.00 C ATOM 1228 O ILE A 80 -9.535 12.989 2.584 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.730 11.869 2.451 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -5.500 11.139 2.981 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -6.398 12.693 1.176 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -4.881 10.253 1.899 1.00 0.00 C ATOM 0 H ILE A 80 -8.755 11.448 4.481 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.596 13.355 4.022 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.476 11.140 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.764 11.864 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.777 10.529 3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.958 12.038 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.312 13.137 0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.690 13.483 1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.006 9.744 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.612 9.514 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.583 10.869 1.051 1.00 0.00 H new ATOM 1244 N LEU A 81 -8.128 14.758 2.789 1.00 0.00 N ATOM 1245 CA LEU A 81 -9.025 15.763 2.376 1.00 0.00 C ATOM 1246 C LEU A 81 -8.650 16.329 1.020 1.00 0.00 C ATOM 1247 O LEU A 81 -7.522 16.193 0.539 1.00 0.00 O ATOM 1248 CB LEU A 81 -9.001 16.833 3.443 1.00 0.00 C ATOM 1249 CG LEU A 81 -9.099 16.305 4.885 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -10.203 15.299 5.233 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -7.770 16.055 5.564 1.00 0.00 C ATOM 0 H LEU A 81 -7.180 15.100 2.948 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.028 15.353 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.080 17.407 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.827 17.522 3.266 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.510 17.191 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.131 15.030 6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.178 15.747 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.086 14.404 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.942 15.685 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.206 15.314 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.204 16.985 5.610 1.00 0.00 H new ATOM 1263 N GLY A 82 -9.628 16.994 0.424 1.00 0.00 N ATOM 1264 CA GLY A 82 -9.530 17.616 -0.885 1.00 0.00 C ATOM 1265 C GLY A 82 -9.468 19.118 -0.709 1.00 0.00 C ATOM 1266 O GLY A 82 -10.449 19.794 -1.004 1.00 0.00 O ATOM 0 H GLY A 82 -10.544 17.119 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.641 17.260 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.389 17.343 -1.498 1.00 0.00 H new ATOM 1270 N GLN A 83 -8.341 19.624 -0.196 1.00 0.00 N ATOM 1271 CA GLN A 83 -8.051 21.026 0.112 1.00 0.00 C ATOM 1272 C GLN A 83 -8.933 21.542 1.258 1.00 0.00 C ATOM 1273 O GLN A 83 -8.454 21.722 2.378 1.00 0.00 O ATOM 1274 CB GLN A 83 -8.080 21.900 -1.162 1.00 0.00 C ATOM 1275 CG GLN A 83 -7.106 21.417 -2.251 1.00 0.00 C ATOM 1276 CD GLN A 83 -7.303 22.179 -3.558 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -8.183 21.845 -4.344 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -6.514 23.208 -3.813 1.00 0.00 N ATOM 0 H GLN A 83 -7.551 19.019 0.031 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.029 21.098 0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.092 21.908 -1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.836 22.928 -0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.080 21.545 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.253 20.351 -2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.787 23.471 -3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.632 23.739 -4.676 1.00 0.00 H new ATOM 1287 N ASN A 84 -10.236 21.726 1.029 1.00 0.00 N ATOM 1288 CA ASN A 84 -11.198 22.307 1.971 1.00 0.00 C ATOM 1289 C ASN A 84 -11.629 21.327 3.071 1.00 0.00 C ATOM 1290 O ASN A 84 -12.817 21.163 3.330 1.00 0.00 O ATOM 1291 CB ASN A 84 -12.401 22.942 1.241 1.00 0.00 C ATOM 1292 CG ASN A 84 -13.144 22.056 0.246 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -14.221 21.531 0.514 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -12.596 21.901 -0.950 1.00 0.00 N ATOM 0 H ASN A 84 -10.669 21.463 0.144 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.676 23.113 2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.114 23.282 1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.049 23.827 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.069 21.341 -1.659 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.701 22.342 -1.162 1.00 0.00 H new ATOM 1301 N LYS A 85 -10.664 20.678 3.742 1.00 0.00 N ATOM 1302 CA LYS A 85 -10.832 19.720 4.850 1.00 0.00 C ATOM 1303 C LYS A 85 -11.833 18.594 4.564 1.00 0.00 C ATOM 1304 O LYS A 85 -12.300 17.923 5.481 1.00 0.00 O ATOM 1305 CB LYS A 85 -11.239 20.422 6.158 1.00 0.00 C ATOM 1306 CG LYS A 85 -10.561 21.755 6.494 1.00 0.00 C ATOM 1307 CD LYS A 85 -11.203 22.305 7.772 1.00 0.00 C ATOM 1308 CE LYS A 85 -10.640 23.686 8.095 1.00 0.00 C ATOM 1309 NZ LYS A 85 -11.365 24.321 9.206 1.00 0.00 N ATOM 0 H LYS A 85 -9.680 20.817 3.511 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.848 19.265 4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.315 20.592 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.050 19.733 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.490 21.612 6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.682 22.461 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.284 22.366 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.016 21.625 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.584 23.598 8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.701 24.320 7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.955 25.257 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.368 24.427 8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.286 23.728 10.056 1.00 0.00 H new ATOM 1323 N VAL A 86 -12.140 18.380 3.296 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.275 17.620 2.803 1.00 0.00 C ATOM 1325 C VAL A 86 -12.827 16.194 2.586 1.00 0.00 C ATOM 1326 O VAL A 86 -11.984 15.974 1.725 1.00 0.00 O ATOM 1327 CB VAL A 86 -13.939 18.263 1.586 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -12.901 18.700 0.587 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -14.961 17.338 0.916 1.00 0.00 C ATOM 0 H VAL A 86 -11.569 18.755 2.538 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.072 17.620 3.547 1.00 0.00 H new ATOM 0 HB VAL A 86 -14.483 19.136 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -13.392 19.155 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -12.233 19.426 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.325 17.835 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -15.402 17.844 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.464 16.427 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.745 17.084 1.630 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.314 15.245 3.380 1.00 0.00 N ATOM 1340 CA VAL A 87 -12.926 13.851 3.246 1.00 0.00 C ATOM 1341 C VAL A 87 -13.188 13.381 1.804 1.00 0.00 C ATOM 1342 O VAL A 87 -14.292 13.513 1.273 1.00 0.00 O ATOM 1343 CB VAL A 87 -13.574 13.016 4.367 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -15.097 13.175 4.459 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -13.188 11.540 4.272 1.00 0.00 C ATOM 0 H VAL A 87 -13.984 15.422 4.128 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.855 13.711 3.392 1.00 0.00 H new ATOM 0 HB VAL A 87 -13.168 13.422 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.479 12.556 5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -15.343 14.219 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.553 12.862 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.666 10.986 5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.517 11.139 3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -12.106 11.441 4.354 1.00 0.00 H new ATOM 1355 N ILE A 88 -12.128 12.897 1.161 1.00 0.00 N ATOM 1356 CA ILE A 88 -12.121 12.287 -0.170 1.00 0.00 C ATOM 1357 C ILE A 88 -11.517 10.890 -0.107 1.00 0.00 C ATOM 1358 O ILE A 88 -11.734 10.068 -0.992 1.00 0.00 O ATOM 1359 CB ILE A 88 -11.330 13.158 -1.169 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.932 13.551 -0.648 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -12.166 14.395 -1.513 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -9.013 14.101 -1.744 1.00 0.00 C ATOM 0 H ILE A 88 -11.197 12.920 1.577 1.00 0.00 H new ATOM 0 HA ILE A 88 -13.152 12.214 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 88 -11.150 12.569 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -10.041 14.300 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.463 12.679 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -11.618 15.020 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.110 14.083 -1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.366 14.963 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -8.046 14.359 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.876 13.345 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -9.463 14.991 -2.183 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.726 10.617 0.922 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.146 9.328 1.181 1.00 0.00 C ATOM 1376 C GLY A 89 -9.601 9.344 2.590 1.00 0.00 C ATOM 1377 O GLY A 89 -9.833 10.268 3.373 1.00 0.00 O ATOM 0 H GLY A 89 -10.468 11.318 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.894 8.543 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.351 9.116 0.466 1.00 0.00 H new ATOM 1381 N TRP A 90 -8.832 8.317 2.901 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.091 8.243 4.148 1.00 0.00 C ATOM 1383 C TRP A 90 -6.672 7.862 3.773 1.00 0.00 C ATOM 1384 O TRP A 90 -6.366 7.771 2.582 1.00 0.00 O ATOM 1385 CB TRP A 90 -8.815 7.255 5.073 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.230 7.652 5.362 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.652 8.411 6.395 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.400 7.459 4.515 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -11.976 8.749 6.211 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.492 8.187 5.069 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -11.633 6.783 3.301 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -13.744 8.246 4.444 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -12.877 6.863 2.655 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -13.927 7.603 3.212 1.00 0.00 C ATOM 0 H TRP A 90 -8.703 7.507 2.294 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.040 9.178 4.706 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -8.807 6.266 4.616 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.267 7.176 6.012 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.045 8.708 7.237 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.508 9.344 6.846 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -10.842 6.194 2.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.560 8.781 4.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.026 6.348 1.718 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -14.872 7.678 2.695 1.00 0.00 H new ATOM 1405 N ASP A 91 -5.794 7.636 4.742 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.546 6.934 4.464 1.00 0.00 C ATOM 1407 C ASP A 91 -4.670 5.617 5.243 1.00 0.00 C ATOM 1408 O ASP A 91 -4.267 5.512 6.398 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.319 7.818 4.795 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.427 8.259 3.632 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.413 7.564 2.597 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -1.763 9.323 3.800 1.00 0.00 O ATOM 0 H ASP A 91 -5.919 7.923 5.713 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.380 6.709 3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.678 8.714 5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.698 7.276 5.508 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.371 4.625 4.689 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.399 3.299 5.300 1.00 0.00 C ATOM 1419 C LYS A 92 -4.026 2.694 5.061 1.00 0.00 C ATOM 1420 O LYS A 92 -3.733 2.228 3.955 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.466 2.355 4.703 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.843 2.336 5.372 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.617 3.642 5.215 1.00 0.00 C ATOM 1424 CE LYS A 92 -10.030 3.507 5.810 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.029 3.431 7.291 1.00 0.00 N ATOM 0 H LYS A 92 -5.918 4.714 3.832 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.653 3.410 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.604 2.622 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.068 1.341 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.432 1.522 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.719 2.122 6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.082 4.451 5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.684 3.907 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.634 4.358 5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.505 2.613 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.008 3.358 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.492 2.594 7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.587 4.287 7.682 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.206 2.708 6.107 1.00 0.00 N ATOM 1440 CA TYR A 93 -1.899 2.083 6.016 1.00 0.00 C ATOM 1441 C TYR A 93 -2.122 0.560 6.003 1.00 0.00 C ATOM 1442 O TYR A 93 -3.189 0.104 6.424 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.055 2.560 7.203 1.00 0.00 C ATOM 1444 CG TYR A 93 -0.750 4.049 7.230 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -1.699 4.950 7.747 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.493 4.539 6.782 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.398 6.319 7.848 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.802 5.907 6.879 1.00 0.00 C ATOM 1449 CZ TYR A 93 -0.153 6.809 7.395 1.00 0.00 C ATOM 1450 OH TYR A 93 0.121 8.144 7.433 1.00 0.00 O ATOM 0 H TYR A 93 -3.420 3.136 7.008 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.358 2.354 5.109 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.573 2.296 8.125 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.112 2.013 7.199 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.664 4.587 8.068 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.216 3.857 6.360 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.121 6.999 8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.769 6.267 6.559 1.00 0.00 H new ATOM 0 HH TYR A 93 1.023 8.303 7.084 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.137 -0.250 5.621 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.187 -1.704 5.801 1.00 0.00 C ATOM 1462 C PHE A 94 0.186 -2.236 6.204 1.00 0.00 C ATOM 1463 O PHE A 94 1.201 -1.679 5.783 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.691 -2.386 4.516 1.00 0.00 C ATOM 1465 CG PHE A 94 -3.201 -2.320 4.374 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -4.002 -3.259 5.057 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -3.812 -1.280 3.646 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.403 -3.141 5.035 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -5.213 -1.164 3.633 1.00 0.00 C ATOM 1470 CZ PHE A 94 -6.009 -2.082 4.341 1.00 0.00 C ATOM 0 H PHE A 94 -0.280 0.081 5.177 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.888 -1.936 6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.227 -1.911 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.375 -3.429 4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.538 -4.070 5.598 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.205 -0.573 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.014 -3.866 5.553 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.681 -0.365 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.083 -1.973 4.351 1.00 0.00 H new ATOM 1480 N GLU A 95 0.202 -3.308 7.000 1.00 0.00 N ATOM 1481 CA GLU A 95 1.356 -4.108 7.378 1.00 0.00 C ATOM 1482 C GLU A 95 1.210 -5.436 6.647 1.00 0.00 C ATOM 1483 O GLU A 95 0.186 -6.093 6.812 1.00 0.00 O ATOM 1484 CB GLU A 95 1.448 -4.276 8.910 1.00 0.00 C ATOM 1485 CG GLU A 95 0.654 -5.329 9.666 1.00 0.00 C ATOM 1486 CD GLU A 95 0.416 -4.859 11.110 1.00 0.00 C ATOM 1487 OE1 GLU A 95 1.397 -4.567 11.832 1.00 0.00 O ATOM 1488 OE2 GLU A 95 -0.759 -4.709 11.514 1.00 0.00 O ATOM 0 H GLU A 95 -0.656 -3.660 7.425 1.00 0.00 H new ATOM 0 HA GLU A 95 2.290 -3.623 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.498 -4.452 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.182 -3.313 9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.300 -5.506 9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.194 -6.276 9.666 1.00 0.00 H new ATOM 1495 N ILE A 96 2.130 -5.765 5.745 1.00 0.00 N ATOM 1496 CA ILE A 96 2.130 -6.978 4.942 1.00 0.00 C ATOM 1497 C ILE A 96 3.448 -7.745 5.174 1.00 0.00 C ATOM 1498 O ILE A 96 4.454 -7.118 5.517 1.00 0.00 O ATOM 1499 CB ILE A 96 1.933 -6.560 3.466 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.834 -5.480 3.312 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.581 -7.737 2.543 1.00 0.00 C ATOM 1502 CD1 ILE A 96 1.380 -4.054 3.242 1.00 0.00 C ATOM 0 H ILE A 96 2.931 -5.165 5.547 1.00 0.00 H new ATOM 0 HA ILE A 96 1.321 -7.653 5.222 1.00 0.00 H new ATOM 0 HB ILE A 96 2.899 -6.157 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.260 -5.685 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.143 -5.554 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.456 -7.375 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.384 -8.474 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.653 -8.199 2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.553 -3.353 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.930 -3.830 4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.048 -3.962 2.385 1.00 0.00 H new ATOM 1514 N PRO A 97 3.504 -9.071 4.946 1.00 0.00 N ATOM 1515 CA PRO A 97 4.770 -9.768 4.767 1.00 0.00 C ATOM 1516 C PRO A 97 5.506 -9.274 3.517 1.00 0.00 C ATOM 1517 O PRO A 97 4.957 -8.563 2.676 1.00 0.00 O ATOM 1518 CB PRO A 97 4.428 -11.255 4.613 1.00 0.00 C ATOM 1519 CG PRO A 97 2.980 -11.242 4.168 1.00 0.00 C ATOM 1520 CD PRO A 97 2.400 -10.005 4.826 1.00 0.00 C ATOM 0 HA PRO A 97 5.427 -9.587 5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.069 -11.740 3.877 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.554 -11.795 5.551 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.897 -11.191 3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.458 -12.144 4.486 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.594 -9.583 4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.979 -10.242 5.803 1.00 0.00 H new ATOM 1528 N MET A 98 6.719 -9.793 3.341 1.00 0.00 N ATOM 1529 CA MET A 98 7.515 -9.666 2.126 1.00 0.00 C ATOM 1530 C MET A 98 7.769 -10.997 1.450 1.00 0.00 C ATOM 1531 O MET A 98 8.436 -11.023 0.416 1.00 0.00 O ATOM 1532 CB MET A 98 8.889 -9.085 2.493 1.00 0.00 C ATOM 1533 CG MET A 98 8.876 -7.633 2.930 1.00 0.00 C ATOM 1534 SD MET A 98 10.515 -7.083 3.427 1.00 0.00 S ATOM 1535 CE MET A 98 10.066 -5.402 3.846 1.00 0.00 C ATOM 0 H MET A 98 7.190 -10.332 4.067 1.00 0.00 H new ATOM 0 HA MET A 98 6.953 -9.026 1.445 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.318 -9.686 3.295 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.550 -9.183 1.632 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.513 -7.009 2.113 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.181 -7.507 3.760 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.956 -4.853 4.153 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.623 -4.916 2.977 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.345 -5.411 4.664 1.00 0.00 H new ATOM 1545 N ASP A 99 7.270 -12.092 2.009 1.00 0.00 N ATOM 1546 CA ASP A 99 7.614 -13.421 1.530 1.00 0.00 C ATOM 1547 C ASP A 99 6.381 -14.309 1.502 1.00 0.00 C ATOM 1548 O ASP A 99 6.491 -15.529 1.588 1.00 0.00 O ATOM 1549 CB ASP A 99 8.757 -13.975 2.398 1.00 0.00 C ATOM 1550 CG ASP A 99 9.808 -14.760 1.609 1.00 0.00 C ATOM 1551 OD1 ASP A 99 9.620 -15.040 0.401 1.00 0.00 O ATOM 1552 OD2 ASP A 99 10.872 -15.033 2.210 1.00 0.00 O ATOM 0 H ASP A 99 6.623 -12.084 2.798 1.00 0.00 H new ATOM 0 HA ASP A 99 7.972 -13.385 0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.245 -13.146 2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.336 -14.622 3.167 1.00 0.00 H new ATOM 1557 N ALA A 100 5.188 -13.696 1.419 1.00 0.00 N ATOM 1558 CA ALA A 100 3.955 -14.484 1.318 1.00 0.00 C ATOM 1559 C ALA A 100 3.167 -14.064 0.088 1.00 0.00 C ATOM 1560 O ALA A 100 2.027 -14.484 -0.105 1.00 0.00 O ATOM 1561 CB ALA A 100 3.127 -14.376 2.599 1.00 0.00 C ATOM 0 H ALA A 100 5.055 -12.685 1.420 1.00 0.00 H new ATOM 0 HA ALA A 100 4.216 -15.536 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.219 -14.970 2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.710 -14.748 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.861 -13.333 2.774 1.00 0.00 H new ATOM 1567 N LEU A 101 3.747 -13.180 -0.718 1.00 0.00 N ATOM 1568 CA LEU A 101 3.230 -12.711 -1.974 1.00 0.00 C ATOM 1569 C LEU A 101 3.581 -13.735 -3.034 1.00 0.00 C ATOM 1570 O LEU A 101 4.514 -14.515 -2.845 1.00 0.00 O ATOM 1571 CB LEU A 101 3.877 -11.359 -2.270 1.00 0.00 C ATOM 1572 CG LEU A 101 3.785 -10.352 -1.121 1.00 0.00 C ATOM 1573 CD1 LEU A 101 2.345 -10.124 -0.648 1.00 0.00 C ATOM 1574 CD2 LEU A 101 4.784 -10.561 -0.002 1.00 0.00 C ATOM 0 H LEU A 101 4.644 -12.754 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 101 2.147 -12.586 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.927 -11.518 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.405 -10.929 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 101 4.107 -9.405 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.340 -9.401 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.747 -9.742 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.923 -11.067 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.638 -9.798 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.637 -11.548 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.796 -10.487 -0.400 1.00 0.00 H new ATOM 1586 N GLN A 102 2.843 -13.730 -4.143 1.00 0.00 N ATOM 1587 CA GLN A 102 3.023 -14.693 -5.219 1.00 0.00 C ATOM 1588 C GLN A 102 4.431 -14.661 -5.809 1.00 0.00 C ATOM 1589 O GLN A 102 4.878 -15.655 -6.377 1.00 0.00 O ATOM 1590 CB GLN A 102 1.963 -14.406 -6.285 1.00 0.00 C ATOM 1591 CG GLN A 102 1.865 -15.558 -7.279 1.00 0.00 C ATOM 1592 CD GLN A 102 0.740 -15.362 -8.293 1.00 0.00 C ATOM 1593 OE1 GLN A 102 0.962 -14.968 -9.433 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -0.505 -15.598 -7.909 1.00 0.00 N ATOM 0 H GLN A 102 2.101 -13.053 -4.318 1.00 0.00 H new ATOM 0 HA GLN A 102 2.901 -15.700 -4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.996 -14.248 -5.808 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.212 -13.485 -6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.813 -15.659 -7.808 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.702 -16.489 -6.736 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.693 -15.926 -6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.276 -15.452 -8.561 1.00 0.00 H new ATOM 1603 N ASP A 103 5.115 -13.533 -5.683 1.00 0.00 N ATOM 1604 CA ASP A 103 6.432 -13.306 -6.250 1.00 0.00 C ATOM 1605 C ASP A 103 7.068 -12.194 -5.416 1.00 0.00 C ATOM 1606 O ASP A 103 6.504 -11.831 -4.381 1.00 0.00 O ATOM 1607 CB ASP A 103 6.280 -12.940 -7.730 1.00 0.00 C ATOM 1608 CG ASP A 103 7.597 -13.116 -8.473 1.00 0.00 C ATOM 1609 OD1 ASP A 103 7.903 -14.257 -8.881 1.00 0.00 O ATOM 1610 OD2 ASP A 103 8.298 -12.105 -8.659 1.00 0.00 O ATOM 0 H ASP A 103 4.757 -12.729 -5.168 1.00 0.00 H new ATOM 0 HA ASP A 103 7.074 -14.186 -6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.514 -13.567 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.942 -11.908 -7.820 1.00 0.00 H new ATOM 1615 N ASN A 104 8.198 -11.625 -5.830 1.00 0.00 N ATOM 1616 CA ASN A 104 8.910 -10.537 -5.164 1.00 0.00 C ATOM 1617 C ASN A 104 8.150 -9.210 -5.121 1.00 0.00 C ATOM 1618 O ASN A 104 8.736 -8.209 -4.726 1.00 0.00 O ATOM 1619 CB ASN A 104 10.251 -10.343 -5.898 1.00 0.00 C ATOM 1620 CG ASN A 104 11.293 -11.371 -5.501 1.00 0.00 C ATOM 1621 OD1 ASN A 104 11.040 -12.574 -5.485 1.00 0.00 O ATOM 1622 ND2 ASN A 104 12.467 -10.925 -5.089 1.00 0.00 N ATOM 0 H ASN A 104 8.666 -11.927 -6.684 1.00 0.00 H new ATOM 0 HA ASN A 104 9.041 -10.824 -4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.083 -10.400 -6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.634 -9.344 -5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 104 13.173 -11.581 -4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.667 -9.925 -5.106 1.00 0.00 H new ATOM 1629 N SER A 105 6.867 -9.149 -5.467 1.00 0.00 N ATOM 1630 CA SER A 105 6.134 -7.899 -5.536 1.00 0.00 C ATOM 1631 C SER A 105 4.956 -7.931 -4.578 1.00 0.00 C ATOM 1632 O SER A 105 4.301 -8.966 -4.417 1.00 0.00 O ATOM 1633 CB SER A 105 5.604 -7.635 -6.938 1.00 0.00 C ATOM 1634 OG SER A 105 6.127 -8.449 -7.979 1.00 0.00 O ATOM 0 H SER A 105 6.310 -9.969 -5.707 1.00 0.00 H new ATOM 0 HA SER A 105 6.828 -7.104 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.521 -7.757 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.804 -6.593 -7.187 1.00 0.00 H new ATOM 0 HG SER A 105 7.100 -8.515 -7.885 1.00 0.00 H new ATOM 1640 N ILE A 106 4.611 -6.768 -4.031 1.00 0.00 N ATOM 1641 CA ILE A 106 3.485 -6.623 -3.125 1.00 0.00 C ATOM 1642 C ILE A 106 2.387 -5.758 -3.737 1.00 0.00 C ATOM 1643 O ILE A 106 2.675 -4.628 -4.137 1.00 0.00 O ATOM 1644 CB ILE A 106 3.981 -6.075 -1.782 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.888 -6.243 -0.695 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.579 -4.653 -1.945 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.896 -5.089 -0.516 1.00 0.00 C ATOM 0 H ILE A 106 5.111 -5.897 -4.208 1.00 0.00 H new ATOM 0 HA ILE A 106 3.036 -7.600 -2.949 1.00 0.00 H new ATOM 0 HB ILE A 106 4.822 -6.664 -1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.320 -7.145 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.385 -6.413 0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.923 -4.290 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.419 -4.689 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.816 -3.980 -2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.188 -5.337 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.437 -4.182 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.356 -4.925 -1.449 1.00 0.00 H new ATOM 1659 N GLN A 107 1.149 -6.237 -3.844 1.00 0.00 N ATOM 1660 CA GLN A 107 0.051 -5.408 -4.347 1.00 0.00 C ATOM 1661 C GLN A 107 -1.279 -5.676 -3.657 1.00 0.00 C ATOM 1662 O GLN A 107 -1.599 -6.792 -3.236 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.095 -5.520 -5.871 1.00 0.00 C ATOM 1664 CG GLN A 107 -0.540 -6.891 -6.379 1.00 0.00 C ATOM 1665 CD GLN A 107 -0.535 -6.957 -7.902 1.00 0.00 C ATOM 1666 OE1 GLN A 107 0.081 -7.859 -8.467 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -1.252 -6.062 -8.573 1.00 0.00 N ATOM 0 H GLN A 107 0.880 -7.188 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 107 0.327 -4.383 -4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.815 -4.774 -6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.861 -5.272 -6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.122 -7.659 -5.979 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.542 -7.109 -6.009 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.750 -5.327 -8.071 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -1.304 -6.110 -9.591 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.117 -4.644 -3.657 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.427 -4.608 -3.035 1.00 0.00 C ATOM 1678 C ILE A 108 -4.437 -4.514 -4.184 1.00 0.00 C ATOM 1679 O ILE A 108 -4.122 -4.011 -5.269 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.518 -3.412 -2.050 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.279 -3.354 -1.118 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.817 -3.527 -1.233 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -2.329 -2.279 -0.029 1.00 0.00 C ATOM 0 H ILE A 108 -1.883 -3.764 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.631 -5.496 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.533 -2.484 -2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.158 -4.326 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.392 -3.187 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.886 -2.689 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.673 -3.511 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.813 -4.462 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.417 -2.322 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.414 -1.296 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.192 -2.453 0.614 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.653 -5.001 -3.959 1.00 0.00 N ATOM 1696 CA LYS A 109 -6.785 -4.792 -4.848 1.00 0.00 C ATOM 1697 C LYS A 109 -8.049 -4.620 -3.996 1.00 0.00 C ATOM 1698 O LYS A 109 -8.047 -5.149 -2.878 1.00 0.00 O ATOM 1699 CB LYS A 109 -6.848 -5.936 -5.887 1.00 0.00 C ATOM 1700 CG LYS A 109 -6.890 -7.363 -5.306 1.00 0.00 C ATOM 1701 CD LYS A 109 -5.845 -8.331 -5.893 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.361 -7.927 -5.730 1.00 0.00 C ATOM 1703 NZ LYS A 109 -3.909 -8.118 -4.337 1.00 0.00 N ATOM 0 H LYS A 109 -5.881 -5.562 -3.138 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.683 -3.879 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.732 -5.790 -6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -5.981 -5.855 -6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.745 -7.305 -4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.884 -7.779 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.986 -9.307 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.051 -8.451 -6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.743 -8.523 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.231 -6.884 -6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.020 -7.599 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.635 -7.759 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.754 -9.131 -4.158 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.078 -3.880 -4.441 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.280 -3.687 -3.618 1.00 0.00 C ATOM 1719 C ALA A 110 -11.538 -3.523 -4.471 1.00 0.00 C ATOM 1720 O ALA A 110 -11.424 -3.184 -5.646 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.095 -2.466 -2.707 1.00 0.00 C ATOM 0 H ALA A 110 -9.102 -3.414 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.414 -4.582 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.989 -2.327 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.235 -2.624 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.930 -1.578 -3.317 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.725 -3.697 -3.880 1.00 0.00 N ATOM 1728 CA LEU A 111 -13.995 -3.367 -4.532 1.00 0.00 C ATOM 1729 C LEU A 111 -14.104 -1.853 -4.648 1.00 0.00 C ATOM 1730 O LEU A 111 -14.014 -1.144 -3.649 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.196 -3.918 -3.740 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.580 -3.451 -4.251 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -16.870 -3.850 -5.702 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.692 -4.040 -3.383 1.00 0.00 C ATOM 0 H LEU A 111 -12.831 -4.070 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.012 -3.828 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.163 -5.007 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.091 -3.622 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.554 -2.363 -4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -17.857 -3.488 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.118 -3.410 -6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.841 -4.936 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.660 -3.703 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.647 -5.128 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.563 -3.709 -2.352 1.00 0.00 H new ATOM 1746 N SER A 112 -14.368 -1.384 -5.861 1.00 0.00 N ATOM 1747 CA SER A 112 -14.846 -0.038 -6.111 1.00 0.00 C ATOM 1748 C SER A 112 -16.380 -0.087 -6.109 1.00 0.00 C ATOM 1749 O SER A 112 -17.004 0.197 -5.080 1.00 0.00 O ATOM 1750 CB SER A 112 -14.111 0.491 -7.355 1.00 0.00 C ATOM 1751 OG SER A 112 -14.735 1.556 -8.033 1.00 0.00 O ATOM 0 H SER A 112 -14.253 -1.940 -6.709 1.00 0.00 H new ATOM 0 HA SER A 112 -14.615 0.704 -5.347 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.114 0.812 -7.054 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.983 -0.334 -8.055 1.00 0.00 H new ATOM 0 HG SER A 112 -14.522 2.400 -7.582 1.00 0.00 H new ATOM 1757 N SER A 113 -16.984 -0.528 -7.211 1.00 0.00 N ATOM 1758 CA SER A 113 -18.421 -0.533 -7.429 1.00 0.00 C ATOM 1759 C SER A 113 -18.744 -1.588 -8.496 1.00 0.00 C ATOM 1760 O SER A 113 -17.914 -1.879 -9.354 1.00 0.00 O ATOM 1761 CB SER A 113 -18.810 0.873 -7.917 1.00 0.00 C ATOM 1762 OG SER A 113 -18.945 1.794 -6.861 1.00 0.00 O ATOM 0 H SER A 113 -16.463 -0.905 -8.003 1.00 0.00 H new ATOM 0 HA SER A 113 -18.974 -0.775 -6.521 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.054 1.234 -8.614 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.749 0.816 -8.467 1.00 0.00 H new ATOM 0 HG SER A 113 -18.511 1.437 -6.058 1.00 0.00 H new ATOM 1768 N GLY A 114 -19.952 -2.150 -8.500 1.00 0.00 N ATOM 1769 CA GLY A 114 -20.433 -3.029 -9.565 1.00 0.00 C ATOM 1770 C GLY A 114 -19.687 -4.351 -9.651 1.00 0.00 C ATOM 1771 O GLY A 114 -19.581 -4.926 -10.734 1.00 0.00 O ATOM 0 H GLY A 114 -20.633 -2.006 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.493 -3.230 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -20.345 -2.510 -10.519 1.00 0.00 H new ATOM 1775 N THR A 115 -19.171 -4.832 -8.524 1.00 0.00 N ATOM 1776 CA THR A 115 -18.347 -6.035 -8.377 1.00 0.00 C ATOM 1777 C THR A 115 -16.996 -5.957 -9.108 1.00 0.00 C ATOM 1778 O THR A 115 -16.301 -6.976 -9.178 1.00 0.00 O ATOM 1779 CB THR A 115 -19.124 -7.334 -8.701 1.00 0.00 C ATOM 1780 OG1 THR A 115 -19.364 -7.528 -10.078 1.00 0.00 O ATOM 1781 CG2 THR A 115 -20.464 -7.449 -7.984 1.00 0.00 C ATOM 0 H THR A 115 -19.325 -4.365 -7.630 1.00 0.00 H new ATOM 0 HA THR A 115 -18.096 -6.079 -7.317 1.00 0.00 H new ATOM 0 HB THR A 115 -18.448 -8.107 -8.335 1.00 0.00 H new ATOM 0 HG1 THR A 115 -19.303 -6.669 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 115 -20.947 -8.386 -8.263 1.00 0.00 H new ATOM 0 HG22 THR A 115 -20.303 -7.431 -6.906 1.00 0.00 H new ATOM 0 HG23 THR A 115 -21.102 -6.613 -8.269 1.00 0.00 H new ATOM 1789 N THR A 116 -16.608 -4.782 -9.618 1.00 0.00 N ATOM 1790 CA THR A 116 -15.288 -4.502 -10.139 1.00 0.00 C ATOM 1791 C THR A 116 -14.311 -4.713 -8.996 1.00 0.00 C ATOM 1792 O THR A 116 -14.680 -4.668 -7.816 1.00 0.00 O ATOM 1793 CB THR A 116 -15.235 -3.043 -10.659 1.00 0.00 C ATOM 1794 OG1 THR A 116 -14.241 -2.854 -11.642 1.00 0.00 O ATOM 1795 CG2 THR A 116 -14.904 -2.021 -9.566 1.00 0.00 C ATOM 0 H THR A 116 -17.235 -3.980 -9.676 1.00 0.00 H new ATOM 0 HA THR A 116 -15.036 -5.156 -10.974 1.00 0.00 H new ATOM 0 HB THR A 116 -16.237 -2.884 -11.057 1.00 0.00 H new ATOM 0 HG1 THR A 116 -14.248 -1.920 -11.939 1.00 0.00 H new ATOM 0 HG21 THR A 116 -14.883 -1.020 -9.998 1.00 0.00 H new ATOM 0 HG22 THR A 116 -15.664 -2.064 -8.786 1.00 0.00 H new ATOM 0 HG23 THR A 116 -13.929 -2.251 -9.136 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.044 -4.821 -9.335 1.00 0.00 N ATOM 1804 CA PHE A 117 -11.989 -4.876 -8.360 1.00 0.00 C ATOM 1805 C PHE A 117 -10.836 -4.088 -8.960 1.00 0.00 C ATOM 1806 O PHE A 117 -10.384 -4.390 -10.062 1.00 0.00 O ATOM 1807 CB PHE A 117 -11.726 -6.348 -8.025 1.00 0.00 C ATOM 1808 CG PHE A 117 -11.866 -6.661 -6.547 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -13.145 -6.848 -5.992 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -10.735 -6.739 -5.719 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -13.295 -7.137 -4.625 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -10.882 -7.009 -4.346 1.00 0.00 C ATOM 1813 CZ PHE A 117 -12.161 -7.215 -3.799 1.00 0.00 C ATOM 0 H PHE A 117 -12.721 -4.873 -10.301 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.211 -4.420 -7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.420 -6.971 -8.589 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.721 -6.614 -8.352 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -14.019 -6.769 -6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -9.750 -6.591 -6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -14.279 -7.299 -4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.010 -7.058 -3.710 1.00 0.00 H new ATOM 0 HZ PHE A 117 -12.271 -7.433 -2.747 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.438 -3.004 -8.302 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.292 -2.215 -8.720 1.00 0.00 C ATOM 1825 C VAL A 118 -8.066 -2.958 -8.282 1.00 0.00 C ATOM 1826 O VAL A 118 -7.888 -3.201 -7.091 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.321 -0.796 -8.140 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -9.648 -0.681 -6.659 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -8.174 0.079 -8.650 1.00 0.00 C ATOM 0 H VAL A 118 -10.902 -2.651 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.303 -2.087 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.218 -0.345 -8.565 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.639 0.369 -6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.636 -1.102 -6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.904 -1.227 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.248 1.071 -8.205 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.221 -0.373 -8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.235 0.163 -9.735 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.210 -3.294 -9.232 1.00 0.00 N ATOM 1840 CA TYR A 119 -5.883 -3.785 -8.943 1.00 0.00 C ATOM 1841 C TYR A 119 -4.987 -2.566 -8.989 1.00 0.00 C ATOM 1842 O TYR A 119 -4.930 -1.860 -10.006 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.478 -4.893 -9.922 1.00 0.00 C ATOM 1844 CG TYR A 119 -6.554 -5.953 -10.092 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -7.621 -5.734 -10.976 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -6.560 -7.105 -9.290 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -8.688 -6.642 -11.057 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -7.630 -8.019 -9.342 1.00 0.00 C ATOM 1849 CZ TYR A 119 -8.712 -7.775 -10.218 1.00 0.00 C ATOM 1850 OH TYR A 119 -9.803 -8.589 -10.208 1.00 0.00 O ATOM 0 H TYR A 119 -7.421 -3.232 -10.228 1.00 0.00 H new ATOM 0 HA TYR A 119 -5.812 -4.261 -7.965 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.255 -4.450 -10.893 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.561 -5.366 -9.569 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.621 -4.855 -11.603 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.732 -7.293 -8.623 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -9.490 -6.473 -11.761 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.624 -8.900 -8.717 1.00 0.00 H new ATOM 0 HH TYR A 119 -9.657 -9.324 -9.576 1.00 0.00 H new ATOM 1860 N SER A 120 -4.346 -2.270 -7.861 1.00 0.00 N ATOM 1861 CA SER A 120 -3.331 -1.233 -7.819 1.00 0.00 C ATOM 1862 C SER A 120 -2.216 -1.641 -8.793 1.00 0.00 C ATOM 1863 O SER A 120 -2.061 -2.831 -9.080 1.00 0.00 O ATOM 1864 CB SER A 120 -2.789 -1.169 -6.393 1.00 0.00 C ATOM 1865 OG SER A 120 -1.680 -2.010 -6.134 1.00 0.00 O ATOM 0 H SER A 120 -4.514 -2.735 -6.969 1.00 0.00 H new ATOM 0 HA SER A 120 -3.728 -0.258 -8.101 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.504 -0.140 -6.175 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.592 -1.430 -5.704 1.00 0.00 H new ATOM 0 HG SER A 120 -0.855 -1.483 -6.169 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.348 -0.704 -9.159 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.164 -1.043 -9.953 1.00 0.00 C ATOM 1873 C GLN A 121 0.771 -1.895 -9.110 1.00 0.00 C ATOM 1874 O GLN A 121 1.105 -1.508 -7.987 1.00 0.00 O ATOM 1875 CB GLN A 121 0.567 0.192 -10.485 1.00 0.00 C ATOM 1876 CG GLN A 121 1.085 1.127 -9.389 1.00 0.00 C ATOM 1877 CD GLN A 121 1.494 2.516 -9.856 1.00 0.00 C ATOM 1878 OE1 GLN A 121 1.431 2.841 -11.036 1.00 0.00 O ATOM 1879 NE2 GLN A 121 1.846 3.363 -8.902 1.00 0.00 N ATOM 0 H GLN A 121 -1.436 0.285 -8.924 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.497 -1.601 -10.828 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.407 -0.132 -11.099 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -0.107 0.749 -11.135 1.00 0.00 H new ATOM 0 HG2 GLN A 121 0.311 1.231 -8.628 1.00 0.00 H new ATOM 0 HG3 GLN A 121 1.943 0.656 -8.909 1.00 0.00 H new ATOM 0 HE21 GLN A 121 1.886 3.051 -7.932 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.078 4.328 -9.137 1.00 0.00 H new ATOM 1888 N LYS A 122 1.175 -3.038 -9.650 1.00 0.00 N ATOM 1889 CA LYS A 122 2.125 -3.955 -9.033 1.00 0.00 C ATOM 1890 C LYS A 122 3.435 -3.198 -8.812 1.00 0.00 C ATOM 1891 O LYS A 122 3.918 -2.572 -9.753 1.00 0.00 O ATOM 1892 CB LYS A 122 2.311 -5.160 -9.980 1.00 0.00 C ATOM 1893 CG LYS A 122 3.229 -6.247 -9.408 1.00 0.00 C ATOM 1894 CD LYS A 122 3.642 -7.325 -10.409 1.00 0.00 C ATOM 1895 CE LYS A 122 2.591 -8.421 -10.586 1.00 0.00 C ATOM 1896 NZ LYS A 122 3.210 -9.688 -11.029 1.00 0.00 N ATOM 0 H LYS A 122 0.840 -3.362 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 122 1.774 -4.326 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.336 -5.596 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.722 -4.809 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.128 -5.774 -9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.725 -6.724 -8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.837 -6.859 -11.375 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.577 -7.778 -10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 122 2.065 -8.580 -9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.848 -8.101 -11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.473 -10.414 -11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.691 -9.540 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.902 -10.003 -10.319 1.00 0.00 H new ATOM 1910 N ILE A 123 3.993 -3.237 -7.597 1.00 0.00 N ATOM 1911 CA ILE A 123 5.344 -2.801 -7.315 1.00 0.00 C ATOM 1912 C ILE A 123 6.150 -4.015 -6.915 1.00 0.00 C ATOM 1913 O ILE A 123 5.886 -4.624 -5.869 1.00 0.00 O ATOM 1914 CB ILE A 123 5.351 -1.683 -6.250 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.412 -0.488 -6.542 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.762 -1.154 -5.962 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.733 0.273 -7.836 1.00 0.00 C ATOM 0 H ILE A 123 3.499 -3.581 -6.773 1.00 0.00 H new ATOM 0 HA ILE A 123 5.804 -2.358 -8.198 1.00 0.00 H new ATOM 0 HB ILE A 123 4.957 -2.185 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.386 -0.853 -6.595 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.460 0.208 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.709 -0.370 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.388 -1.968 -5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.192 -0.747 -6.877 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.026 1.093 -7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.746 0.672 -7.782 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.656 -0.405 -8.686 1.00 0.00 H new ATOM 1929 N ASP A 124 7.063 -4.398 -7.804 1.00 0.00 N ATOM 1930 CA ASP A 124 8.114 -5.372 -7.554 1.00 0.00 C ATOM 1931 C ASP A 124 9.057 -4.806 -6.520 1.00 0.00 C ATOM 1932 O ASP A 124 9.346 -3.608 -6.546 1.00 0.00 O ATOM 1933 CB ASP A 124 8.878 -5.730 -8.841 1.00 0.00 C ATOM 1934 CG ASP A 124 8.733 -7.209 -9.199 1.00 0.00 C ATOM 1935 OD1 ASP A 124 8.636 -8.028 -8.255 1.00 0.00 O ATOM 1936 OD2 ASP A 124 8.541 -7.495 -10.404 1.00 0.00 O ATOM 0 H ASP A 124 7.089 -4.023 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 124 7.662 -6.293 -7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 124 8.508 -5.119 -9.664 1.00 0.00 H new ATOM 0 HB3 ASP A 124 9.934 -5.489 -8.715 1.00 0.00 H new ATOM 1941 N PHE A 125 9.545 -5.638 -5.609 1.00 0.00 N ATOM 1942 CA PHE A 125 10.614 -5.185 -4.701 1.00 0.00 C ATOM 1943 C PHE A 125 11.720 -6.221 -4.469 1.00 0.00 C ATOM 1944 O PHE A 125 11.734 -7.278 -5.098 1.00 0.00 O ATOM 1945 CB PHE A 125 10.011 -4.589 -3.416 1.00 0.00 C ATOM 1946 CG PHE A 125 9.471 -5.601 -2.439 1.00 0.00 C ATOM 1947 CD1 PHE A 125 8.221 -6.198 -2.671 1.00 0.00 C ATOM 1948 CD2 PHE A 125 10.240 -5.978 -1.326 1.00 0.00 C ATOM 1949 CE1 PHE A 125 7.794 -7.259 -1.859 1.00 0.00 C ATOM 1950 CE2 PHE A 125 9.787 -6.993 -0.476 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.580 -7.652 -0.765 1.00 0.00 C ATOM 0 H PHE A 125 9.237 -6.601 -5.473 1.00 0.00 H new ATOM 0 HA PHE A 125 11.149 -4.378 -5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 125 10.775 -3.994 -2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.207 -3.907 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 125 7.591 -5.841 -3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 125 11.180 -5.485 -1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 125 6.867 -7.770 -2.074 1.00 0.00 H new ATOM 0 HE2 PHE A 125 10.361 -7.268 0.396 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.254 -8.469 -0.139 1.00 0.00 H new ATOM 1961 N GLU A 126 12.702 -5.903 -3.617 1.00 0.00 N ATOM 1962 CA GLU A 126 13.874 -6.739 -3.351 1.00 0.00 C ATOM 1963 C GLU A 126 13.886 -7.045 -1.847 1.00 0.00 C ATOM 1964 O GLU A 126 13.627 -6.144 -1.043 1.00 0.00 O ATOM 1965 CB GLU A 126 15.122 -5.993 -3.855 1.00 0.00 C ATOM 1966 CG GLU A 126 15.167 -5.929 -5.394 1.00 0.00 C ATOM 1967 CD GLU A 126 16.180 -4.912 -5.933 1.00 0.00 C ATOM 1968 OE1 GLU A 126 17.400 -5.206 -5.938 1.00 0.00 O ATOM 1969 OE2 GLU A 126 15.737 -3.846 -6.428 1.00 0.00 O ATOM 0 H GLU A 126 12.702 -5.035 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 126 13.854 -7.694 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.130 -4.982 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.018 -6.492 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 126 15.413 -6.917 -5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 126 14.175 -5.676 -5.769 1.00 0.00 H new ATOM 1976 N ARG A 127 14.103 -8.315 -1.474 1.00 0.00 N ATOM 1977 CA ARG A 127 13.966 -8.818 -0.108 1.00 0.00 C ATOM 1978 C ARG A 127 15.333 -8.898 0.569 1.00 0.00 C ATOM 1979 O ARG A 127 15.912 -9.978 0.660 1.00 0.00 O ATOM 1980 CB ARG A 127 13.262 -10.186 -0.070 1.00 0.00 C ATOM 1981 CG ARG A 127 11.738 -10.089 -0.114 1.00 0.00 C ATOM 1982 CD ARG A 127 11.127 -10.082 -1.512 1.00 0.00 C ATOM 1983 NE ARG A 127 11.436 -11.317 -2.241 1.00 0.00 N ATOM 1984 CZ ARG A 127 10.873 -12.527 -2.083 1.00 0.00 C ATOM 1985 NH1 ARG A 127 10.010 -12.763 -1.108 1.00 0.00 N ATOM 1986 NH2 ARG A 127 11.181 -13.529 -2.897 1.00 0.00 N ATOM 0 H ARG A 127 14.386 -9.037 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 127 13.340 -8.115 0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.604 -10.785 -0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.558 -10.713 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 127 11.320 -10.928 0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 127 11.433 -9.179 0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.046 -9.964 -1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.504 -9.225 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 127 12.164 -11.249 -2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.760 -12.019 -0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.595 -13.689 -1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 127 11.851 -13.385 -3.652 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.747 -14.443 -2.767 1.00 0.00 H new ATOM 2000 N GLU A 128 15.811 -7.778 1.091 1.00 0.00 N ATOM 2001 CA GLU A 128 17.158 -7.575 1.629 1.00 0.00 C ATOM 2002 C GLU A 128 18.273 -8.001 0.672 1.00 0.00 C ATOM 2003 O GLU A 128 19.441 -7.742 1.028 1.00 0.00 O ATOM 2004 CB GLU A 128 17.339 -8.153 3.049 1.00 0.00 C ATOM 2005 CG GLU A 128 16.046 -8.255 3.866 1.00 0.00 C ATOM 2006 CD GLU A 128 16.200 -8.414 5.387 1.00 0.00 C ATOM 2007 OE1 GLU A 128 17.257 -8.128 5.994 1.00 0.00 O ATOM 2008 OE2 GLU A 128 15.185 -8.828 6.000 1.00 0.00 O ATOM 0 H GLU A 128 15.240 -6.935 1.157 1.00 0.00 H new ATOM 0 HA GLU A 128 17.259 -6.494 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 128 17.782 -9.146 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 128 18.049 -7.530 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 128 15.452 -7.361 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 128 15.473 -9.103 3.492 1.00 0.00 H new