USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 880 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 38 SER OG : rot -34:sc= -2.84! USER MOD Set 1.2: A 93 ASN : amide:sc= -9.17! C(o=-12!,f=-17!) USER MOD Set 2.1: A 86 GLN : amide:sc= -4.99! C(o=-5!,f=-3.6!) USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 103 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 65 ASN : amide:sc= -8.35! C(o=-9.9!,f=-24!) USER MOD Set 3.2: A 68 THR OG1 : rot 58:sc= -1.57! USER MOD Set 4.1: A 60 ASN : amide:sc= -1.16 K(o=-1.5,f=-2.6!) USER MOD Set 4.2: A 63 GLN : amide:sc= -0.35 K(o=-1.5,f=-2.6) USER MOD Set 5.1: A 50 LYS NZ :NH3+ 155:sc= -1.7 (180deg=0) USER MOD Set 5.2: A 52 GLN : amide:sc= -1.77 K(o=-3.5,f=1.3) USER MOD Set 6.1: A 32 SER OG : rot 95:sc= 0.0052 USER MOD Set 6.2: A 33 ASN : amide:sc= 0.00466 X(o=0.0099,f=-0.43) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0426 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 59:sc= 0.206 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 27:sc= 0.0929 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.68 USER MOD Single : A 70 THR OG1 : rot -150:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 22:sc= -2.88! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.888 K(o=-0.89,f=-2.5) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -178:sc= 0.474 (180deg=0.447) USER MOD Single : A 99 SER OG : rot 150:sc= 0.989 USER MOD Single : A 101 THR OG1 : rot 42:sc= 0.0149 USER MOD Single : A 102 GLN : amide:sc=0.000212 K(o=0.00021,f=-1.1) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.751 -28.688 7.855 1.00 0.00 N ATOM 2 CA GLY A 1 -17.444 -27.309 7.524 1.00 0.00 C ATOM 3 C GLY A 1 -18.688 -26.451 7.399 1.00 0.00 C ATOM 4 O GLY A 1 -19.637 -26.819 6.707 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.868 -29.232 7.929 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.256 -28.723 8.763 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.349 -29.099 7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.794 -26.891 8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.890 -27.279 6.586 1.00 0.00 H new ATOM 8 N SER A 2 -18.684 -25.306 8.073 1.00 0.00 N ATOM 9 CA SER A 2 -19.823 -24.396 8.039 1.00 0.00 C ATOM 10 C SER A 2 -19.459 -23.096 7.328 1.00 0.00 C ATOM 11 O SER A 2 -18.305 -22.880 6.958 1.00 0.00 O ATOM 12 CB SER A 2 -20.306 -24.095 9.459 1.00 0.00 C ATOM 13 OG SER A 2 -20.834 -25.257 10.075 1.00 0.00 O ATOM 0 H SER A 2 -17.905 -24.986 8.649 1.00 0.00 H new ATOM 0 HA SER A 2 -20.627 -24.881 7.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.478 -23.708 10.054 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.068 -23.317 9.430 1.00 0.00 H new ATOM 0 HG SER A 2 -21.134 -25.039 10.982 1.00 0.00 H new ATOM 19 N SER A 3 -20.453 -22.233 7.140 1.00 0.00 N ATOM 20 CA SER A 3 -20.240 -20.956 6.470 1.00 0.00 C ATOM 21 C SER A 3 -19.499 -19.981 7.380 1.00 0.00 C ATOM 22 O SER A 3 -20.106 -19.103 7.993 1.00 0.00 O ATOM 23 CB SER A 3 -21.578 -20.352 6.039 1.00 0.00 C ATOM 24 OG SER A 3 -22.338 -21.282 5.286 1.00 0.00 O ATOM 0 H SER A 3 -21.413 -22.395 7.442 1.00 0.00 H new ATOM 0 HA SER A 3 -19.629 -21.136 5.586 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.142 -20.044 6.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.401 -19.456 5.444 1.00 0.00 H new ATOM 0 HG SER A 3 -23.189 -20.873 5.024 1.00 0.00 H new ATOM 30 N GLY A 4 -18.182 -20.144 7.465 1.00 0.00 N ATOM 31 CA GLY A 4 -17.379 -19.273 8.302 1.00 0.00 C ATOM 32 C GLY A 4 -16.709 -18.166 7.513 1.00 0.00 C ATOM 33 O GLY A 4 -17.153 -17.018 7.540 1.00 0.00 O ATOM 0 H GLY A 4 -17.657 -20.864 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.010 -18.833 9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.618 -19.864 8.811 1.00 0.00 H new ATOM 37 N SER A 5 -15.635 -18.510 6.810 1.00 0.00 N ATOM 38 CA SER A 5 -14.898 -17.535 6.013 1.00 0.00 C ATOM 39 C SER A 5 -14.814 -17.977 4.556 1.00 0.00 C ATOM 40 O SER A 5 -15.231 -19.080 4.205 1.00 0.00 O ATOM 41 CB SER A 5 -13.491 -17.340 6.581 1.00 0.00 C ATOM 42 OG SER A 5 -12.861 -16.208 6.006 1.00 0.00 O ATOM 0 H SER A 5 -15.255 -19.456 6.776 1.00 0.00 H new ATOM 0 HA SER A 5 -15.434 -16.587 6.056 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.546 -17.219 7.663 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.892 -18.230 6.390 1.00 0.00 H new ATOM 0 HG SER A 5 -11.964 -16.104 6.387 1.00 0.00 H new ATOM 48 N SER A 6 -14.271 -17.107 3.711 1.00 0.00 N ATOM 49 CA SER A 6 -14.134 -17.404 2.290 1.00 0.00 C ATOM 50 C SER A 6 -12.702 -17.166 1.820 1.00 0.00 C ATOM 51 O SER A 6 -12.472 -16.539 0.787 1.00 0.00 O ATOM 52 CB SER A 6 -15.101 -16.545 1.472 1.00 0.00 C ATOM 53 OG SER A 6 -15.341 -17.119 0.199 1.00 0.00 O ATOM 0 H SER A 6 -13.919 -16.190 3.986 1.00 0.00 H new ATOM 0 HA SER A 6 -14.377 -18.456 2.139 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.043 -16.439 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.689 -15.543 1.351 1.00 0.00 H new ATOM 0 HG SER A 6 -15.963 -16.552 -0.303 1.00 0.00 H new ATOM 59 N GLY A 7 -11.742 -17.673 2.588 1.00 0.00 N ATOM 60 CA GLY A 7 -10.344 -17.506 2.235 1.00 0.00 C ATOM 61 C GLY A 7 -10.035 -16.107 1.740 1.00 0.00 C ATOM 62 O GLY A 7 -9.288 -15.933 0.776 1.00 0.00 O ATOM 0 H GLY A 7 -11.907 -18.196 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.724 -17.726 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.078 -18.228 1.463 1.00 0.00 H new ATOM 66 N LEU A 8 -10.610 -15.107 2.399 1.00 0.00 N ATOM 67 CA LEU A 8 -10.393 -13.716 2.019 1.00 0.00 C ATOM 68 C LEU A 8 -9.257 -13.101 2.831 1.00 0.00 C ATOM 69 O LEU A 8 -9.079 -13.392 4.014 1.00 0.00 O ATOM 70 CB LEU A 8 -11.675 -12.906 2.219 1.00 0.00 C ATOM 71 CG LEU A 8 -12.974 -13.589 1.792 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.165 -12.966 2.505 1.00 0.00 C ATOM 73 CD2 LEU A 8 -13.150 -13.505 0.283 1.00 0.00 C ATOM 0 H LEU A 8 -11.230 -15.234 3.199 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.116 -13.692 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.755 -12.645 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.581 -11.972 1.666 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.918 -14.641 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.081 -13.465 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.044 -13.079 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.225 -11.907 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.080 -13.996 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.184 -12.459 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.312 -13.999 -0.209 1.00 0.00 H new ATOM 85 N PRO A 9 -8.472 -12.228 2.183 1.00 0.00 N ATOM 86 CA PRO A 9 -7.342 -11.551 2.826 1.00 0.00 C ATOM 87 C PRO A 9 -7.793 -10.526 3.862 1.00 0.00 C ATOM 88 O PRO A 9 -8.580 -9.630 3.559 1.00 0.00 O ATOM 89 CB PRO A 9 -6.634 -10.856 1.660 1.00 0.00 C ATOM 90 CG PRO A 9 -7.696 -10.660 0.634 1.00 0.00 C ATOM 91 CD PRO A 9 -8.627 -11.833 0.772 1.00 0.00 C ATOM 0 HA PRO A 9 -6.708 -12.248 3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.202 -9.904 1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.817 -11.465 1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.225 -9.721 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.268 -10.617 -0.368 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.656 -11.558 0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.355 -12.643 0.096 1.00 0.00 H new ATOM 99 N GLN A 10 -7.288 -10.666 5.083 1.00 0.00 N ATOM 100 CA GLN A 10 -7.641 -9.751 6.163 1.00 0.00 C ATOM 101 C GLN A 10 -6.450 -8.879 6.548 1.00 0.00 C ATOM 102 O GLN A 10 -5.297 -9.270 6.369 1.00 0.00 O ATOM 103 CB GLN A 10 -8.130 -10.534 7.383 1.00 0.00 C ATOM 104 CG GLN A 10 -8.917 -9.689 8.372 1.00 0.00 C ATOM 105 CD GLN A 10 -9.935 -10.499 9.150 1.00 0.00 C ATOM 106 OE1 GLN A 10 -11.111 -10.553 8.788 1.00 0.00 O ATOM 107 NE2 GLN A 10 -9.488 -11.135 10.227 1.00 0.00 N ATOM 0 H GLN A 10 -6.634 -11.402 5.349 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.443 -9.103 5.810 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.755 -11.362 7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.271 -10.970 7.893 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.226 -9.214 9.069 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.428 -8.889 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.505 -11.063 10.491 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.127 -11.696 10.790 1.00 0.00 H new ATOM 116 N VAL A 11 -6.738 -7.694 7.077 1.00 0.00 N ATOM 117 CA VAL A 11 -5.691 -6.765 7.487 1.00 0.00 C ATOM 118 C VAL A 11 -5.941 -6.245 8.898 1.00 0.00 C ATOM 119 O VAL A 11 -6.669 -5.273 9.092 1.00 0.00 O ATOM 120 CB VAL A 11 -5.591 -5.570 6.521 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.523 -4.593 6.989 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.304 -6.050 5.107 1.00 0.00 C ATOM 0 H VAL A 11 -7.687 -7.355 7.232 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.751 -7.317 7.467 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.548 -5.049 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.467 -3.755 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.778 -4.224 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.558 -5.099 7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.237 -5.192 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.361 -6.596 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.108 -6.706 4.775 1.00 0.00 H new ATOM 132 N GLU A 12 -5.330 -6.900 9.881 1.00 0.00 N ATOM 133 CA GLU A 12 -5.487 -6.503 11.275 1.00 0.00 C ATOM 134 C GLU A 12 -4.987 -5.078 11.495 1.00 0.00 C ATOM 135 O GLU A 12 -5.765 -4.177 11.806 1.00 0.00 O ATOM 136 CB GLU A 12 -4.730 -7.467 12.191 1.00 0.00 C ATOM 137 CG GLU A 12 -5.310 -7.557 13.593 1.00 0.00 C ATOM 138 CD GLU A 12 -6.647 -8.272 13.627 1.00 0.00 C ATOM 139 OE1 GLU A 12 -6.653 -9.513 13.767 1.00 0.00 O ATOM 140 OE2 GLU A 12 -7.687 -7.590 13.512 1.00 0.00 O ATOM 0 H GLU A 12 -4.723 -7.707 9.738 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.549 -6.539 11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.733 -8.460 11.741 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.689 -7.150 12.257 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.606 -8.080 14.240 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.429 -6.552 13.998 1.00 0.00 H new ATOM 147 N ALA A 13 -3.682 -4.883 11.330 1.00 0.00 N ATOM 148 CA ALA A 13 -3.078 -3.569 11.508 1.00 0.00 C ATOM 149 C ALA A 13 -1.970 -3.331 10.488 1.00 0.00 C ATOM 150 O ALA A 13 -1.549 -4.253 9.788 1.00 0.00 O ATOM 151 CB ALA A 13 -2.536 -3.425 12.923 1.00 0.00 C ATOM 0 H ALA A 13 -3.024 -5.619 11.073 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.850 -2.817 11.348 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.088 -2.439 13.042 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.350 -3.542 13.638 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.782 -4.191 13.103 1.00 0.00 H new ATOM 157 N TYR A 14 -1.501 -2.091 10.409 1.00 0.00 N ATOM 158 CA TYR A 14 -0.444 -1.732 9.472 1.00 0.00 C ATOM 159 C TYR A 14 0.414 -0.598 10.026 1.00 0.00 C ATOM 160 O TYR A 14 -0.098 0.345 10.629 1.00 0.00 O ATOM 161 CB TYR A 14 -1.044 -1.321 8.126 1.00 0.00 C ATOM 162 CG TYR A 14 -2.076 -0.221 8.234 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.701 1.086 8.518 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.428 -0.490 8.054 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.641 2.093 8.618 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.374 0.511 8.151 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.976 1.801 8.434 1.00 0.00 C ATOM 168 OH TYR A 14 -4.916 2.801 8.533 1.00 0.00 O ATOM 0 H TYR A 14 -1.836 -1.317 10.983 1.00 0.00 H new ATOM 0 HA TYR A 14 0.190 -2.607 9.328 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.242 -0.992 7.465 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.502 -2.193 7.660 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.656 1.319 8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.744 -1.499 7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.332 3.104 8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.420 0.285 8.006 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.715 3.504 7.881 1.00 0.00 H new ATOM 178 N SER A 15 1.723 -0.699 9.817 1.00 0.00 N ATOM 179 CA SER A 15 2.654 0.315 10.299 1.00 0.00 C ATOM 180 C SER A 15 3.843 0.453 9.353 1.00 0.00 C ATOM 181 O SER A 15 4.214 -0.480 8.640 1.00 0.00 O ATOM 182 CB SER A 15 3.144 -0.038 11.704 1.00 0.00 C ATOM 183 OG SER A 15 3.635 -1.367 11.755 1.00 0.00 O ATOM 0 H SER A 15 2.163 -1.472 9.318 1.00 0.00 H new ATOM 0 HA SER A 15 2.127 1.269 10.335 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.930 0.655 12.003 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.328 0.079 12.417 1.00 0.00 H new ATOM 0 HG SER A 15 3.944 -1.567 12.663 1.00 0.00 H new ATOM 189 N PRO A 16 4.457 1.646 9.345 1.00 0.00 N ATOM 190 CA PRO A 16 4.024 2.764 10.188 1.00 0.00 C ATOM 191 C PRO A 16 2.684 3.340 9.744 1.00 0.00 C ATOM 192 O PRO A 16 2.364 3.348 8.555 1.00 0.00 O ATOM 193 CB PRO A 16 5.138 3.798 10.005 1.00 0.00 C ATOM 194 CG PRO A 16 5.730 3.485 8.674 1.00 0.00 C ATOM 195 CD PRO A 16 5.620 1.995 8.512 1.00 0.00 C ATOM 0 HA PRO A 16 3.873 2.459 11.223 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.744 4.814 10.034 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.883 3.722 10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.197 4.004 7.878 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.770 3.807 8.624 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.467 1.714 7.470 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.523 1.486 8.849 1.00 0.00 H new ATOM 203 N SER A 17 1.904 3.822 10.706 1.00 0.00 N ATOM 204 CA SER A 17 0.597 4.398 10.414 1.00 0.00 C ATOM 205 C SER A 17 0.665 5.309 9.193 1.00 0.00 C ATOM 206 O SER A 17 -0.292 5.410 8.425 1.00 0.00 O ATOM 207 CB SER A 17 0.080 5.183 11.622 1.00 0.00 C ATOM 208 OG SER A 17 1.029 6.143 12.050 1.00 0.00 O ATOM 0 H SER A 17 2.155 3.825 11.695 1.00 0.00 H new ATOM 0 HA SER A 17 -0.092 3.581 10.198 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.854 5.681 11.363 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.141 4.496 12.439 1.00 0.00 H new ATOM 0 HG SER A 17 0.674 6.632 12.822 1.00 0.00 H new ATOM 214 N ALA A 18 1.804 5.972 9.020 1.00 0.00 N ATOM 215 CA ALA A 18 1.999 6.874 7.891 1.00 0.00 C ATOM 216 C ALA A 18 3.428 6.794 7.366 1.00 0.00 C ATOM 217 O ALA A 18 4.254 6.049 7.896 1.00 0.00 O ATOM 218 CB ALA A 18 1.662 8.302 8.293 1.00 0.00 C ATOM 0 H ALA A 18 2.605 5.902 9.647 1.00 0.00 H new ATOM 0 HA ALA A 18 1.327 6.565 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.812 8.965 7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.622 8.354 8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.311 8.612 9.112 1.00 0.00 H new ATOM 224 N CYS A 19 3.714 7.563 6.321 1.00 0.00 N ATOM 225 CA CYS A 19 5.044 7.578 5.723 1.00 0.00 C ATOM 226 C CYS A 19 5.236 8.818 4.856 1.00 0.00 C ATOM 227 O CYS A 19 4.295 9.576 4.622 1.00 0.00 O ATOM 228 CB CYS A 19 5.262 6.317 4.885 1.00 0.00 C ATOM 229 SG CYS A 19 6.994 5.816 4.744 1.00 0.00 S ATOM 0 H CYS A 19 3.042 8.184 5.870 1.00 0.00 H new ATOM 0 HA CYS A 19 5.778 7.603 6.528 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.693 5.498 5.325 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.860 6.484 3.885 1.00 0.00 H new ATOM 0 HG CYS A 19 7.651 6.227 5.788 1.00 0.00 H new ATOM 235 N SER A 20 6.463 9.020 4.385 1.00 0.00 N ATOM 236 CA SER A 20 6.781 10.172 3.549 1.00 0.00 C ATOM 237 C SER A 20 6.462 9.885 2.085 1.00 0.00 C ATOM 238 O SER A 20 6.491 8.736 1.645 1.00 0.00 O ATOM 239 CB SER A 20 8.257 10.544 3.698 1.00 0.00 C ATOM 240 OG SER A 20 8.651 10.534 5.059 1.00 0.00 O ATOM 0 H SER A 20 7.253 8.401 4.568 1.00 0.00 H new ATOM 0 HA SER A 20 6.167 11.010 3.879 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.871 9.842 3.133 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.431 11.533 3.273 1.00 0.00 H new ATOM 0 HG SER A 20 9.599 10.773 5.127 1.00 0.00 H new ATOM 246 N VAL A 21 6.157 10.939 1.335 1.00 0.00 N ATOM 247 CA VAL A 21 5.834 10.803 -0.080 1.00 0.00 C ATOM 248 C VAL A 21 6.921 10.033 -0.821 1.00 0.00 C ATOM 249 O VAL A 21 6.682 9.477 -1.893 1.00 0.00 O ATOM 250 CB VAL A 21 5.648 12.178 -0.748 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.330 12.806 -0.320 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.817 13.093 -0.417 1.00 0.00 C ATOM 0 H VAL A 21 6.127 11.897 1.684 1.00 0.00 H new ATOM 0 HA VAL A 21 4.897 10.249 -0.138 1.00 0.00 H new ATOM 0 HB VAL A 21 5.621 12.037 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.216 13.777 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.505 12.156 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.323 12.935 0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.669 14.060 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.878 13.229 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.743 12.646 -0.779 1.00 0.00 H new ATOM 262 N ARG A 22 8.117 10.004 -0.241 1.00 0.00 N ATOM 263 CA ARG A 22 9.243 9.303 -0.847 1.00 0.00 C ATOM 264 C ARG A 22 9.089 7.792 -0.693 1.00 0.00 C ATOM 265 O ARG A 22 9.414 7.029 -1.601 1.00 0.00 O ATOM 266 CB ARG A 22 10.557 9.759 -0.211 1.00 0.00 C ATOM 267 CG ARG A 22 10.925 11.197 -0.539 1.00 0.00 C ATOM 268 CD ARG A 22 12.293 11.563 0.015 1.00 0.00 C ATOM 269 NE ARG A 22 13.365 10.814 -0.636 1.00 0.00 N ATOM 270 CZ ARG A 22 14.642 11.176 -0.597 1.00 0.00 C ATOM 271 NH1 ARG A 22 15.005 12.270 0.058 1.00 0.00 N ATOM 272 NH2 ARG A 22 15.560 10.442 -1.214 1.00 0.00 N ATOM 0 H ARG A 22 8.331 10.458 0.647 1.00 0.00 H new ATOM 0 HA ARG A 22 9.259 9.543 -1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.485 9.649 0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.360 9.102 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.920 11.337 -1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.173 11.869 -0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.464 12.631 -0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.314 11.368 1.087 1.00 0.00 H new ATOM 0 HE ARG A 22 13.119 9.967 -1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.303 12.836 0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.987 12.545 0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.285 9.599 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.541 10.721 -1.184 1.00 0.00 H new ATOM 286 N GLY A 23 8.590 7.368 0.465 1.00 0.00 N ATOM 287 CA GLY A 23 8.402 5.952 0.717 1.00 0.00 C ATOM 288 C GLY A 23 9.714 5.221 0.927 1.00 0.00 C ATOM 289 O GLY A 23 10.388 5.420 1.937 1.00 0.00 O ATOM 0 H GLY A 23 8.313 7.980 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.773 5.823 1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.870 5.504 -0.123 1.00 0.00 H new ATOM 293 N GLY A 24 10.076 4.371 -0.028 1.00 0.00 N ATOM 294 CA GLY A 24 11.314 3.620 0.077 1.00 0.00 C ATOM 295 C GLY A 24 11.564 3.109 1.482 1.00 0.00 C ATOM 296 O GLY A 24 12.696 3.127 1.963 1.00 0.00 O ATOM 0 H GLY A 24 9.534 4.189 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.284 2.777 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.147 4.253 -0.230 1.00 0.00 H new ATOM 300 N GLU A 25 10.504 2.654 2.142 1.00 0.00 N ATOM 301 CA GLU A 25 10.614 2.138 3.502 1.00 0.00 C ATOM 302 C GLU A 25 10.013 0.739 3.604 1.00 0.00 C ATOM 303 O GLU A 25 9.397 0.248 2.659 1.00 0.00 O ATOM 304 CB GLU A 25 9.916 3.078 4.486 1.00 0.00 C ATOM 305 CG GLU A 25 10.785 4.239 4.941 1.00 0.00 C ATOM 306 CD GLU A 25 10.339 4.816 6.270 1.00 0.00 C ATOM 307 OE1 GLU A 25 10.421 4.096 7.287 1.00 0.00 O ATOM 308 OE2 GLU A 25 9.908 5.988 6.293 1.00 0.00 O ATOM 0 H GLU A 25 9.559 2.632 1.758 1.00 0.00 H new ATOM 0 HA GLU A 25 11.672 2.079 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.013 3.472 4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.601 2.507 5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.819 3.904 5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.764 5.023 4.184 1.00 0.00 H new ATOM 315 N GLU A 26 10.199 0.104 4.757 1.00 0.00 N ATOM 316 CA GLU A 26 9.676 -1.238 4.982 1.00 0.00 C ATOM 317 C GLU A 26 8.309 -1.184 5.658 1.00 0.00 C ATOM 318 O GLU A 26 8.203 -0.873 6.845 1.00 0.00 O ATOM 319 CB GLU A 26 10.649 -2.051 5.838 1.00 0.00 C ATOM 320 CG GLU A 26 10.145 -3.445 6.175 1.00 0.00 C ATOM 321 CD GLU A 26 10.723 -3.976 7.472 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.902 -3.177 8.414 1.00 0.00 O ATOM 323 OE2 GLU A 26 10.995 -5.193 7.545 1.00 0.00 O ATOM 0 H GLU A 26 10.708 0.497 5.549 1.00 0.00 H new ATOM 0 HA GLU A 26 9.563 -1.723 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.600 -2.135 5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.844 -1.510 6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.058 -3.427 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.399 -4.126 5.363 1.00 0.00 H new ATOM 330 N LEU A 27 7.265 -1.487 4.894 1.00 0.00 N ATOM 331 CA LEU A 27 5.904 -1.473 5.418 1.00 0.00 C ATOM 332 C LEU A 27 5.437 -2.884 5.761 1.00 0.00 C ATOM 333 O LEU A 27 5.499 -3.789 4.928 1.00 0.00 O ATOM 334 CB LEU A 27 4.952 -0.841 4.401 1.00 0.00 C ATOM 335 CG LEU A 27 3.469 -0.851 4.774 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.169 0.232 5.799 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.606 -0.668 3.534 1.00 0.00 C ATOM 0 H LEU A 27 7.335 -1.745 3.910 1.00 0.00 H new ATOM 0 HA LEU A 27 5.899 -0.877 6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.259 0.192 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.071 -1.361 3.450 1.00 0.00 H new ATOM 0 HG LEU A 27 3.232 -1.818 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.109 0.210 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.761 0.056 6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.422 1.207 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.554 -0.678 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.845 0.285 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.800 -1.480 2.833 1.00 0.00 H new ATOM 349 N VAL A 28 4.968 -3.064 6.991 1.00 0.00 N ATOM 350 CA VAL A 28 4.488 -4.364 7.443 1.00 0.00 C ATOM 351 C VAL A 28 2.977 -4.351 7.649 1.00 0.00 C ATOM 352 O VAL A 28 2.444 -3.497 8.360 1.00 0.00 O ATOM 353 CB VAL A 28 5.170 -4.789 8.757 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.633 -6.132 9.228 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.680 -4.842 8.580 1.00 0.00 C ATOM 0 H VAL A 28 4.910 -2.326 7.693 1.00 0.00 H new ATOM 0 HA VAL A 28 4.740 -5.082 6.663 1.00 0.00 H new ATOM 0 HB VAL A 28 4.942 -4.046 9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.127 -6.416 10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.559 -6.056 9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.828 -6.889 8.468 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.146 -5.144 9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.930 -5.563 7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.047 -3.857 8.293 1.00 0.00 H new ATOM 365 N LEU A 29 2.292 -5.302 7.024 1.00 0.00 N ATOM 366 CA LEU A 29 0.841 -5.400 7.139 1.00 0.00 C ATOM 367 C LEU A 29 0.442 -6.603 7.988 1.00 0.00 C ATOM 368 O LEU A 29 0.610 -7.751 7.575 1.00 0.00 O ATOM 369 CB LEU A 29 0.206 -5.508 5.751 1.00 0.00 C ATOM 370 CG LEU A 29 0.471 -4.341 4.800 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.207 -4.755 3.361 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.384 -3.140 5.177 1.00 0.00 C ATOM 0 H LEU A 29 2.718 -6.016 6.433 1.00 0.00 H new ATOM 0 HA LEU A 29 0.478 -4.496 7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.564 -6.423 5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.872 -5.613 5.874 1.00 0.00 H new ATOM 0 HG LEU A 29 1.520 -4.057 4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.401 -3.912 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.863 -5.584 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.832 -5.067 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.182 -2.319 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.438 -3.411 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.145 -2.828 6.194 1.00 0.00 H new ATOM 384 N THR A 30 -0.089 -6.333 9.176 1.00 0.00 N ATOM 385 CA THR A 30 -0.513 -7.392 10.083 1.00 0.00 C ATOM 386 C THR A 30 -1.906 -7.896 9.726 1.00 0.00 C ATOM 387 O THR A 30 -2.814 -7.108 9.462 1.00 0.00 O ATOM 388 CB THR A 30 -0.512 -6.913 11.547 1.00 0.00 C ATOM 389 OG1 THR A 30 0.742 -6.295 11.859 1.00 0.00 O ATOM 390 CG2 THR A 30 -0.761 -8.074 12.497 1.00 0.00 C ATOM 0 H THR A 30 -0.236 -5.389 9.533 1.00 0.00 H new ATOM 0 HA THR A 30 0.204 -8.206 9.975 1.00 0.00 H new ATOM 0 HB THR A 30 -1.315 -6.186 11.669 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.734 -5.992 12.791 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.756 -7.711 13.525 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.729 -8.524 12.276 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.023 -8.821 12.372 1.00 0.00 H new ATOM 398 N GLY A 31 -2.070 -9.216 9.720 1.00 0.00 N ATOM 399 CA GLY A 31 -3.357 -9.802 9.395 1.00 0.00 C ATOM 400 C GLY A 31 -3.304 -11.315 9.326 1.00 0.00 C ATOM 401 O GLY A 31 -2.653 -11.959 10.149 1.00 0.00 O ATOM 0 H GLY A 31 -1.334 -9.889 9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.089 -9.501 10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.700 -9.409 8.438 1.00 0.00 H new ATOM 405 N SER A 32 -3.992 -11.886 8.342 1.00 0.00 N ATOM 406 CA SER A 32 -4.025 -13.334 8.171 1.00 0.00 C ATOM 407 C SER A 32 -4.585 -13.707 6.803 1.00 0.00 C ATOM 408 O SER A 32 -4.892 -12.839 5.987 1.00 0.00 O ATOM 409 CB SER A 32 -4.867 -13.979 9.274 1.00 0.00 C ATOM 410 OG SER A 32 -6.181 -13.448 9.288 1.00 0.00 O ATOM 0 H SER A 32 -4.534 -11.368 7.651 1.00 0.00 H new ATOM 0 HA SER A 32 -3.003 -13.707 8.239 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.909 -15.057 9.121 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.394 -13.813 10.242 1.00 0.00 H new ATOM 0 HG SER A 32 -6.774 -14.028 8.766 1.00 0.00 H new ATOM 416 N ASN A 33 -4.716 -15.007 6.558 1.00 0.00 N ATOM 417 CA ASN A 33 -5.240 -15.497 5.288 1.00 0.00 C ATOM 418 C ASN A 33 -4.540 -14.820 4.114 1.00 0.00 C ATOM 419 O ASN A 33 -5.188 -14.353 3.177 1.00 0.00 O ATOM 420 CB ASN A 33 -6.748 -15.255 5.207 1.00 0.00 C ATOM 421 CG ASN A 33 -7.522 -16.077 6.220 1.00 0.00 C ATOM 422 OD1 ASN A 33 -7.397 -15.872 7.427 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.326 -17.013 5.731 1.00 0.00 N ATOM 0 H ASN A 33 -4.467 -15.740 7.222 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.048 -16.569 5.233 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.952 -14.197 5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.098 -15.497 4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.872 -17.598 6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.398 -17.147 4.722 1.00 0.00 H new ATOM 430 N PHE A 34 -3.213 -14.771 4.171 1.00 0.00 N ATOM 431 CA PHE A 34 -2.425 -14.151 3.113 1.00 0.00 C ATOM 432 C PHE A 34 -1.841 -15.208 2.179 1.00 0.00 C ATOM 433 O PHE A 34 -1.616 -16.350 2.580 1.00 0.00 O ATOM 434 CB PHE A 34 -1.299 -13.307 3.714 1.00 0.00 C ATOM 435 CG PHE A 34 -1.778 -12.029 4.341 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.678 -11.211 3.678 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.326 -11.644 5.593 1.00 0.00 C ATOM 438 CE1 PHE A 34 -3.121 -10.034 4.252 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.765 -10.469 6.172 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.663 -9.662 5.500 1.00 0.00 C ATOM 0 H PHE A 34 -2.661 -15.153 4.939 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.085 -13.505 2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.775 -13.897 4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.576 -13.071 2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.038 -11.496 2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.622 -12.270 6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.824 -9.406 3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.407 -10.181 7.149 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.006 -8.742 5.950 1.00 0.00 H new ATOM 450 N LEU A 35 -1.598 -14.818 0.933 1.00 0.00 N ATOM 451 CA LEU A 35 -1.040 -15.730 -0.059 1.00 0.00 C ATOM 452 C LEU A 35 0.290 -15.209 -0.592 1.00 0.00 C ATOM 453 O LEU A 35 0.528 -14.003 -0.666 1.00 0.00 O ATOM 454 CB LEU A 35 -2.025 -15.922 -1.215 1.00 0.00 C ATOM 455 CG LEU A 35 -3.297 -16.706 -0.889 1.00 0.00 C ATOM 456 CD1 LEU A 35 -4.443 -16.259 -1.784 1.00 0.00 C ATOM 457 CD2 LEU A 35 -3.054 -18.201 -1.038 1.00 0.00 C ATOM 0 H LEU A 35 -1.779 -13.876 0.585 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.865 -16.690 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.313 -14.939 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.506 -16.431 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.571 -16.504 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.340 -16.828 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.633 -15.197 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.179 -16.432 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.969 -18.744 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.756 -18.421 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.263 -18.511 -0.356 1.00 0.00 H new ATOM 469 N PRO A 36 1.180 -16.137 -0.974 1.00 0.00 N ATOM 470 CA PRO A 36 2.501 -15.795 -1.509 1.00 0.00 C ATOM 471 C PRO A 36 2.420 -15.162 -2.894 1.00 0.00 C ATOM 472 O PRO A 36 3.421 -14.688 -3.430 1.00 0.00 O ATOM 473 CB PRO A 36 3.216 -17.147 -1.580 1.00 0.00 C ATOM 474 CG PRO A 36 2.120 -18.149 -1.697 1.00 0.00 C ATOM 475 CD PRO A 36 0.964 -17.593 -0.913 1.00 0.00 C ATOM 0 HA PRO A 36 3.013 -15.058 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.889 -17.195 -2.436 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.820 -17.323 -0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.845 -18.306 -2.740 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.431 -19.116 -1.301 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.007 -17.876 -1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.963 -17.957 0.115 1.00 0.00 H new ATOM 483 N ASP A 37 1.221 -15.159 -3.468 1.00 0.00 N ATOM 484 CA ASP A 37 1.009 -14.582 -4.790 1.00 0.00 C ATOM 485 C ASP A 37 0.314 -13.228 -4.688 1.00 0.00 C ATOM 486 O ASP A 37 0.275 -12.465 -5.653 1.00 0.00 O ATOM 487 CB ASP A 37 0.179 -15.531 -5.656 1.00 0.00 C ATOM 488 CG ASP A 37 0.269 -15.196 -7.132 1.00 0.00 C ATOM 489 OD1 ASP A 37 0.041 -14.022 -7.488 1.00 0.00 O ATOM 490 OD2 ASP A 37 0.567 -16.109 -7.931 1.00 0.00 O ATOM 0 H ASP A 37 0.382 -15.549 -3.038 1.00 0.00 H new ATOM 0 HA ASP A 37 1.984 -14.435 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.519 -16.554 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.863 -15.489 -5.340 1.00 0.00 H new ATOM 495 N SER A 38 -0.234 -12.938 -3.512 1.00 0.00 N ATOM 496 CA SER A 38 -0.933 -11.678 -3.285 1.00 0.00 C ATOM 497 C SER A 38 -0.045 -10.491 -3.650 1.00 0.00 C ATOM 498 O SER A 38 1.177 -10.550 -3.514 1.00 0.00 O ATOM 499 CB SER A 38 -1.372 -11.570 -1.824 1.00 0.00 C ATOM 500 OG SER A 38 -2.159 -12.686 -1.444 1.00 0.00 O ATOM 0 H SER A 38 -0.208 -13.558 -2.702 1.00 0.00 H new ATOM 0 HA SER A 38 -1.816 -11.660 -3.924 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.494 -11.504 -1.181 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.942 -10.653 -1.679 1.00 0.00 H new ATOM 0 HG SER A 38 -2.697 -12.982 -2.208 1.00 0.00 H new ATOM 506 N LYS A 39 -0.670 -9.415 -4.115 1.00 0.00 N ATOM 507 CA LYS A 39 0.060 -8.213 -4.499 1.00 0.00 C ATOM 508 C LYS A 39 -0.482 -6.989 -3.767 1.00 0.00 C ATOM 509 O LYS A 39 -1.632 -6.976 -3.326 1.00 0.00 O ATOM 510 CB LYS A 39 -0.031 -7.997 -6.012 1.00 0.00 C ATOM 511 CG LYS A 39 0.790 -6.820 -6.509 1.00 0.00 C ATOM 512 CD LYS A 39 1.270 -7.038 -7.934 1.00 0.00 C ATOM 513 CE LYS A 39 0.162 -6.773 -8.942 1.00 0.00 C ATOM 514 NZ LYS A 39 0.390 -7.502 -10.221 1.00 0.00 N ATOM 0 H LYS A 39 -1.681 -9.351 -4.235 1.00 0.00 H new ATOM 0 HA LYS A 39 1.105 -8.349 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.302 -8.902 -6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.075 -7.843 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.191 -5.911 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.648 -6.671 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.115 -6.380 -8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.628 -8.061 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.795 -7.075 -8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.099 -5.703 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.386 -7.296 -10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.291 -7.195 -10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.424 -8.525 -10.036 1.00 0.00 H new ATOM 528 N VAL A 40 0.352 -5.962 -3.642 1.00 0.00 N ATOM 529 CA VAL A 40 -0.045 -4.733 -2.965 1.00 0.00 C ATOM 530 C VAL A 40 0.160 -3.520 -3.865 1.00 0.00 C ATOM 531 O VAL A 40 1.292 -3.127 -4.150 1.00 0.00 O ATOM 532 CB VAL A 40 0.748 -4.529 -1.660 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.281 -3.272 -0.942 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.613 -5.748 -0.760 1.00 0.00 C ATOM 0 H VAL A 40 1.307 -5.956 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.104 -4.831 -2.726 1.00 0.00 H new ATOM 0 HB VAL A 40 1.802 -4.405 -1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.852 -3.145 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.434 -2.407 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.778 -3.363 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.179 -5.587 0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.438 -5.905 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.000 -6.626 -1.276 1.00 0.00 H new ATOM 544 N VAL A 41 -0.944 -2.928 -4.311 1.00 0.00 N ATOM 545 CA VAL A 41 -0.886 -1.757 -5.178 1.00 0.00 C ATOM 546 C VAL A 41 -1.539 -0.549 -4.515 1.00 0.00 C ATOM 547 O VAL A 41 -2.473 -0.691 -3.725 1.00 0.00 O ATOM 548 CB VAL A 41 -1.578 -2.024 -6.528 1.00 0.00 C ATOM 549 CG1 VAL A 41 -0.969 -3.240 -7.210 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.076 -2.207 -6.332 1.00 0.00 C ATOM 0 H VAL A 41 -1.889 -3.240 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 41 0.169 -1.545 -5.354 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.422 -1.160 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.471 -3.413 -8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.092 -3.065 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.092 -4.115 -6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.549 -2.395 -7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.255 -3.053 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.498 -1.304 -5.890 1.00 0.00 H new ATOM 560 N PHE A 42 -1.042 0.639 -4.842 1.00 0.00 N ATOM 561 CA PHE A 42 -1.577 1.873 -4.278 1.00 0.00 C ATOM 562 C PHE A 42 -2.491 2.576 -5.277 1.00 0.00 C ATOM 563 O PHE A 42 -2.437 2.310 -6.478 1.00 0.00 O ATOM 564 CB PHE A 42 -0.437 2.807 -3.867 1.00 0.00 C ATOM 565 CG PHE A 42 0.267 2.378 -2.612 1.00 0.00 C ATOM 566 CD1 PHE A 42 1.187 1.343 -2.637 1.00 0.00 C ATOM 567 CD2 PHE A 42 0.008 3.010 -1.406 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.835 0.945 -1.482 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.653 2.618 -0.249 1.00 0.00 C ATOM 570 CZ PHE A 42 1.569 1.584 -0.287 1.00 0.00 C ATOM 0 H PHE A 42 -0.270 0.774 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.163 1.616 -3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.287 2.862 -4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.835 3.812 -3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.401 0.841 -3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.707 3.819 -1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.549 0.135 -1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.442 3.119 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.076 1.276 0.616 1.00 0.00 H new ATOM 580 N ILE A 43 -3.329 3.475 -4.772 1.00 0.00 N ATOM 581 CA ILE A 43 -4.255 4.217 -5.619 1.00 0.00 C ATOM 582 C ILE A 43 -4.261 5.699 -5.260 1.00 0.00 C ATOM 583 O ILE A 43 -3.915 6.077 -4.141 1.00 0.00 O ATOM 584 CB ILE A 43 -5.688 3.666 -5.504 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.170 3.735 -4.053 1.00 0.00 C ATOM 586 CG2 ILE A 43 -5.750 2.237 -6.021 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.652 3.477 -3.895 1.00 0.00 C ATOM 0 H ILE A 43 -3.386 3.707 -3.780 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.910 4.096 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.348 4.281 -6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.617 3.006 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.936 4.719 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.770 1.862 -5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.445 2.215 -7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.080 1.608 -5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.922 3.542 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.213 4.221 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.890 2.482 -4.270 1.00 0.00 H new ATOM 599 N GLU A 44 -4.658 6.532 -6.216 1.00 0.00 N ATOM 600 CA GLU A 44 -4.711 7.973 -5.999 1.00 0.00 C ATOM 601 C GLU A 44 -5.955 8.576 -6.645 1.00 0.00 C ATOM 602 O GLU A 44 -6.285 8.266 -7.790 1.00 0.00 O ATOM 603 CB GLU A 44 -3.455 8.642 -6.563 1.00 0.00 C ATOM 604 CG GLU A 44 -3.551 10.157 -6.633 1.00 0.00 C ATOM 605 CD GLU A 44 -2.486 10.769 -7.521 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.360 10.228 -7.555 1.00 0.00 O ATOM 607 OE2 GLU A 44 -2.776 11.788 -8.181 1.00 0.00 O ATOM 0 H GLU A 44 -4.948 6.234 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.759 8.151 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.600 8.369 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.264 8.252 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.536 10.438 -7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.462 10.570 -5.628 1.00 0.00 H new ATOM 614 N ARG A 45 -6.641 9.438 -5.903 1.00 0.00 N ATOM 615 CA ARG A 45 -7.850 10.083 -6.401 1.00 0.00 C ATOM 616 C ARG A 45 -7.526 11.438 -7.024 1.00 0.00 C ATOM 617 O ARG A 45 -6.748 12.216 -6.472 1.00 0.00 O ATOM 618 CB ARG A 45 -8.864 10.259 -5.270 1.00 0.00 C ATOM 619 CG ARG A 45 -9.550 8.966 -4.860 1.00 0.00 C ATOM 620 CD ARG A 45 -10.427 9.165 -3.634 1.00 0.00 C ATOM 621 NE ARG A 45 -9.662 9.642 -2.485 1.00 0.00 N ATOM 622 CZ ARG A 45 -9.397 10.924 -2.260 1.00 0.00 C ATOM 623 NH1 ARG A 45 -9.833 11.852 -3.099 1.00 0.00 N ATOM 624 NH2 ARG A 45 -8.694 11.279 -1.192 1.00 0.00 N ATOM 0 H ARG A 45 -6.380 9.706 -4.954 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.282 9.443 -7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.358 10.683 -4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.621 10.979 -5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.157 8.597 -5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.799 8.204 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.217 9.880 -3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.914 8.223 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.312 8.953 -1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.374 11.583 -3.921 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.628 12.836 -2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.357 10.567 -0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.491 12.264 -1.019 1.00 0.00 H new ATOM 638 N GLY A 46 -8.128 11.714 -8.177 1.00 0.00 N ATOM 639 CA GLY A 46 -7.890 12.975 -8.855 1.00 0.00 C ATOM 640 C GLY A 46 -9.062 13.929 -8.733 1.00 0.00 C ATOM 641 O GLY A 46 -10.171 13.540 -8.366 1.00 0.00 O ATOM 0 H GLY A 46 -8.776 11.087 -8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.998 13.445 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.688 12.785 -9.909 1.00 0.00 H new ATOM 645 N PRO A 47 -8.821 15.211 -9.044 1.00 0.00 N ATOM 646 CA PRO A 47 -9.852 16.250 -8.973 1.00 0.00 C ATOM 647 C PRO A 47 -10.915 16.086 -10.054 1.00 0.00 C ATOM 648 O PRO A 47 -11.829 16.903 -10.168 1.00 0.00 O ATOM 649 CB PRO A 47 -9.066 17.546 -9.189 1.00 0.00 C ATOM 650 CG PRO A 47 -7.860 17.133 -9.959 1.00 0.00 C ATOM 651 CD PRO A 47 -7.523 15.745 -9.488 1.00 0.00 C ATOM 0 HA PRO A 47 -10.398 16.219 -8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.655 18.279 -9.739 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.791 18.006 -8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.059 17.144 -11.031 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.030 17.817 -9.782 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.093 15.142 -10.288 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.796 15.762 -8.676 1.00 0.00 H new ATOM 659 N ASP A 48 -10.790 15.026 -10.844 1.00 0.00 N ATOM 660 CA ASP A 48 -11.741 14.754 -11.915 1.00 0.00 C ATOM 661 C ASP A 48 -12.924 13.940 -11.398 1.00 0.00 C ATOM 662 O ASP A 48 -14.057 14.124 -11.840 1.00 0.00 O ATOM 663 CB ASP A 48 -11.054 14.007 -13.060 1.00 0.00 C ATOM 664 CG ASP A 48 -10.096 14.890 -13.835 1.00 0.00 C ATOM 665 OD1 ASP A 48 -10.531 15.957 -14.316 1.00 0.00 O ATOM 666 OD2 ASP A 48 -8.911 14.514 -13.961 1.00 0.00 O ATOM 0 H ASP A 48 -10.039 14.341 -10.763 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.114 15.708 -12.287 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.511 13.152 -12.658 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.811 13.613 -13.739 1.00 0.00 H new ATOM 671 N GLY A 49 -12.650 13.039 -10.460 1.00 0.00 N ATOM 672 CA GLY A 49 -13.701 12.210 -9.899 1.00 0.00 C ATOM 673 C GLY A 49 -13.331 10.740 -9.879 1.00 0.00 C ATOM 674 O GLY A 49 -13.858 9.970 -9.075 1.00 0.00 O ATOM 0 H GLY A 49 -11.720 12.868 -10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.917 12.541 -8.883 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.614 12.344 -10.479 1.00 0.00 H new ATOM 678 N LYS A 50 -12.424 10.347 -10.766 1.00 0.00 N ATOM 679 CA LYS A 50 -11.983 8.960 -10.848 1.00 0.00 C ATOM 680 C LYS A 50 -10.523 8.827 -10.427 1.00 0.00 C ATOM 681 O LYS A 50 -9.720 9.737 -10.637 1.00 0.00 O ATOM 682 CB LYS A 50 -12.165 8.429 -12.272 1.00 0.00 C ATOM 683 CG LYS A 50 -11.688 9.391 -13.346 1.00 0.00 C ATOM 684 CD LYS A 50 -12.076 8.914 -14.735 1.00 0.00 C ATOM 685 CE LYS A 50 -11.678 9.922 -15.802 1.00 0.00 C ATOM 686 NZ LYS A 50 -10.233 9.823 -16.147 1.00 0.00 N ATOM 0 H LYS A 50 -11.979 10.971 -11.439 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.594 8.370 -10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.623 7.489 -12.372 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.220 8.208 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.115 10.378 -13.167 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.605 9.496 -13.286 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.596 7.957 -14.940 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.152 8.745 -14.776 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.277 9.758 -16.698 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.899 10.930 -15.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.081 10.181 -17.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.676 10.389 -15.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.931 8.829 -16.095 1.00 0.00 H new ATOM 700 N LEU A 51 -10.184 7.687 -9.835 1.00 0.00 N ATOM 701 CA LEU A 51 -8.819 7.434 -9.386 1.00 0.00 C ATOM 702 C LEU A 51 -8.082 6.529 -10.367 1.00 0.00 C ATOM 703 O LEU A 51 -8.643 5.554 -10.868 1.00 0.00 O ATOM 704 CB LEU A 51 -8.829 6.797 -7.995 1.00 0.00 C ATOM 705 CG LEU A 51 -9.842 5.672 -7.779 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.500 4.471 -8.647 1.00 0.00 C ATOM 707 CD2 LEU A 51 -9.893 5.275 -6.311 1.00 0.00 C ATOM 0 H LEU A 51 -10.835 6.923 -9.655 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.295 8.389 -9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.833 6.406 -7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.022 7.579 -7.261 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.827 6.035 -8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.232 3.681 -8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.516 4.764 -9.697 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.506 4.106 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.619 4.473 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.909 4.931 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.188 6.136 -5.711 1.00 0.00 H new ATOM 719 N GLN A 52 -6.823 6.858 -10.636 1.00 0.00 N ATOM 720 CA GLN A 52 -6.009 6.074 -11.557 1.00 0.00 C ATOM 721 C GLN A 52 -4.528 6.193 -11.212 1.00 0.00 C ATOM 722 O GLN A 52 -3.900 7.217 -11.478 1.00 0.00 O ATOM 723 CB GLN A 52 -6.247 6.530 -12.998 1.00 0.00 C ATOM 724 CG GLN A 52 -6.514 8.021 -13.127 1.00 0.00 C ATOM 725 CD GLN A 52 -6.711 8.456 -14.566 1.00 0.00 C ATOM 726 OE1 GLN A 52 -5.811 8.320 -15.396 1.00 0.00 O ATOM 727 NE2 GLN A 52 -7.891 8.982 -14.870 1.00 0.00 N ATOM 0 H GLN A 52 -6.345 7.662 -10.229 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.303 5.029 -11.461 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.376 6.272 -13.601 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.094 5.981 -13.409 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.401 8.279 -12.549 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.680 8.574 -12.695 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.608 9.076 -14.151 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.081 9.292 -15.823 1.00 0.00 H new ATOM 736 N TRP A 53 -3.978 5.140 -10.618 1.00 0.00 N ATOM 737 CA TRP A 53 -2.570 5.128 -10.236 1.00 0.00 C ATOM 738 C TRP A 53 -2.015 3.708 -10.250 1.00 0.00 C ATOM 739 O TRP A 53 -2.492 2.839 -9.521 1.00 0.00 O ATOM 740 CB TRP A 53 -2.392 5.745 -8.848 1.00 0.00 C ATOM 741 CG TRP A 53 -0.971 6.105 -8.536 1.00 0.00 C ATOM 742 CD1 TRP A 53 0.001 6.453 -9.429 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.363 6.150 -7.240 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.177 6.712 -8.767 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.980 6.534 -7.423 1.00 0.00 C ATOM 746 CE3 TRP A 53 -0.822 5.905 -5.943 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.865 6.676 -6.358 1.00 0.00 C ATOM 748 CZ3 TRP A 53 0.057 6.047 -4.887 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.388 6.430 -5.099 1.00 0.00 C ATOM 0 H TRP A 53 -4.485 4.284 -10.391 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.016 5.722 -10.963 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.011 6.639 -8.774 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.755 5.043 -8.097 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.134 6.516 -10.499 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.055 6.992 -9.205 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.846 5.610 -5.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.892 6.970 -6.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.288 5.860 -3.881 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.051 6.533 -4.252 1.00 0.00 H new ATOM 760 N GLU A 54 -1.005 3.480 -11.084 1.00 0.00 N ATOM 761 CA GLU A 54 -0.386 2.164 -11.192 1.00 0.00 C ATOM 762 C GLU A 54 1.047 2.192 -10.668 1.00 0.00 C ATOM 763 O GLU A 54 1.977 2.534 -11.396 1.00 0.00 O ATOM 764 CB GLU A 54 -0.400 1.687 -12.646 1.00 0.00 C ATOM 765 CG GLU A 54 -0.080 0.211 -12.805 1.00 0.00 C ATOM 766 CD GLU A 54 -0.036 -0.224 -14.257 1.00 0.00 C ATOM 767 OE1 GLU A 54 -1.115 -0.353 -14.871 1.00 0.00 O ATOM 768 OE2 GLU A 54 1.079 -0.433 -14.779 1.00 0.00 O ATOM 0 H GLU A 54 -0.598 4.189 -11.694 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.963 1.468 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.382 1.886 -13.075 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.322 2.270 -13.218 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.881 -0.001 -12.337 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.829 -0.378 -12.276 1.00 0.00 H new ATOM 775 N GLU A 55 1.214 1.830 -9.400 1.00 0.00 N ATOM 776 CA GLU A 55 2.533 1.815 -8.778 1.00 0.00 C ATOM 777 C GLU A 55 2.787 0.486 -8.073 1.00 0.00 C ATOM 778 O GLU A 55 2.139 0.166 -7.077 1.00 0.00 O ATOM 779 CB GLU A 55 2.664 2.967 -7.780 1.00 0.00 C ATOM 780 CG GLU A 55 3.171 4.257 -8.403 1.00 0.00 C ATOM 781 CD GLU A 55 4.675 4.260 -8.595 1.00 0.00 C ATOM 782 OE1 GLU A 55 5.248 3.170 -8.801 1.00 0.00 O ATOM 783 OE2 GLU A 55 5.279 5.352 -8.541 1.00 0.00 O ATOM 0 H GLU A 55 0.453 1.543 -8.784 1.00 0.00 H new ATOM 0 HA GLU A 55 3.278 1.938 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.692 3.152 -7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.342 2.669 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.685 4.406 -9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.888 5.098 -7.770 1.00 0.00 H new ATOM 790 N GLU A 56 3.734 -0.285 -8.599 1.00 0.00 N ATOM 791 CA GLU A 56 4.073 -1.580 -8.021 1.00 0.00 C ATOM 792 C GLU A 56 5.089 -1.424 -6.893 1.00 0.00 C ATOM 793 O GLU A 56 6.034 -0.642 -6.999 1.00 0.00 O ATOM 794 CB GLU A 56 4.629 -2.514 -9.097 1.00 0.00 C ATOM 795 CG GLU A 56 5.166 -3.825 -8.547 1.00 0.00 C ATOM 796 CD GLU A 56 4.101 -4.900 -8.456 1.00 0.00 C ATOM 797 OE1 GLU A 56 3.274 -4.996 -9.388 1.00 0.00 O ATOM 798 OE2 GLU A 56 4.092 -5.644 -7.454 1.00 0.00 O ATOM 0 H GLU A 56 4.280 -0.035 -9.424 1.00 0.00 H new ATOM 0 HA GLU A 56 3.162 -2.014 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.843 -2.728 -9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.427 -2.001 -9.634 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.978 -4.176 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.589 -3.653 -7.557 1.00 0.00 H new ATOM 805 N ALA A 57 4.887 -2.172 -5.814 1.00 0.00 N ATOM 806 CA ALA A 57 5.786 -2.119 -4.668 1.00 0.00 C ATOM 807 C ALA A 57 6.450 -3.470 -4.427 1.00 0.00 C ATOM 808 O ALA A 57 5.795 -4.512 -4.465 1.00 0.00 O ATOM 809 CB ALA A 57 5.030 -1.672 -3.425 1.00 0.00 C ATOM 0 H ALA A 57 4.108 -2.822 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 57 6.569 -1.393 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.713 -1.637 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.608 -0.681 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.226 -2.378 -3.215 1.00 0.00 H new ATOM 815 N THR A 58 7.757 -3.446 -4.181 1.00 0.00 N ATOM 816 CA THR A 58 8.511 -4.669 -3.937 1.00 0.00 C ATOM 817 C THR A 58 7.959 -5.424 -2.732 1.00 0.00 C ATOM 818 O THR A 58 7.625 -4.824 -1.711 1.00 0.00 O ATOM 819 CB THR A 58 10.003 -4.372 -3.702 1.00 0.00 C ATOM 820 OG1 THR A 58 10.566 -3.745 -4.860 1.00 0.00 O ATOM 821 CG2 THR A 58 10.767 -5.649 -3.388 1.00 0.00 C ATOM 0 H THR A 58 8.315 -2.593 -4.146 1.00 0.00 H new ATOM 0 HA THR A 58 8.407 -5.287 -4.829 1.00 0.00 H new ATOM 0 HB THR A 58 10.086 -3.699 -2.848 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.515 -3.558 -4.702 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.819 -5.413 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.355 -6.108 -2.489 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.675 -6.343 -4.224 1.00 0.00 H new ATOM 829 N VAL A 59 7.866 -6.744 -2.859 1.00 0.00 N ATOM 830 CA VAL A 59 7.356 -7.581 -1.779 1.00 0.00 C ATOM 831 C VAL A 59 8.402 -8.595 -1.329 1.00 0.00 C ATOM 832 O VAL A 59 8.904 -9.382 -2.131 1.00 0.00 O ATOM 833 CB VAL A 59 6.080 -8.331 -2.206 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.577 -9.216 -1.075 1.00 0.00 C ATOM 835 CG2 VAL A 59 5.005 -7.348 -2.643 1.00 0.00 C ATOM 0 H VAL A 59 8.137 -7.257 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 59 7.118 -6.917 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 59 6.322 -8.970 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.675 -9.738 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.345 -9.945 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.350 -8.600 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.111 -7.895 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.763 -6.681 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.369 -6.761 -3.486 1.00 0.00 H new ATOM 845 N ASN A 60 8.726 -8.570 -0.041 1.00 0.00 N ATOM 846 CA ASN A 60 9.713 -9.487 0.517 1.00 0.00 C ATOM 847 C ASN A 60 9.040 -10.739 1.071 1.00 0.00 C ATOM 848 O ASN A 60 8.516 -10.733 2.185 1.00 0.00 O ATOM 849 CB ASN A 60 10.517 -8.796 1.621 1.00 0.00 C ATOM 850 CG ASN A 60 11.853 -9.467 1.870 1.00 0.00 C ATOM 851 OD1 ASN A 60 12.298 -10.301 1.081 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.501 -9.105 2.971 1.00 0.00 N ATOM 0 H ASN A 60 8.320 -7.925 0.636 1.00 0.00 H new ATOM 0 HA ASN A 60 10.390 -9.783 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.682 -7.754 1.348 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.936 -8.796 2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.405 -9.522 3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.094 -8.410 3.597 1.00 0.00 H new ATOM 859 N ARG A 61 9.061 -11.812 0.286 1.00 0.00 N ATOM 860 CA ARG A 61 8.452 -13.071 0.698 1.00 0.00 C ATOM 861 C ARG A 61 9.198 -13.673 1.885 1.00 0.00 C ATOM 862 O ARG A 61 8.597 -14.310 2.751 1.00 0.00 O ATOM 863 CB ARG A 61 8.443 -14.062 -0.467 1.00 0.00 C ATOM 864 CG ARG A 61 7.257 -13.892 -1.403 1.00 0.00 C ATOM 865 CD ARG A 61 7.489 -12.765 -2.397 1.00 0.00 C ATOM 866 NE ARG A 61 6.459 -12.727 -3.431 1.00 0.00 N ATOM 867 CZ ARG A 61 6.594 -12.074 -4.580 1.00 0.00 C ATOM 868 NH1 ARG A 61 7.710 -11.408 -4.840 1.00 0.00 N ATOM 869 NH2 ARG A 61 5.611 -12.087 -5.472 1.00 0.00 N ATOM 0 H ARG A 61 9.493 -11.834 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 61 7.425 -12.867 1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.365 -13.947 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.439 -15.077 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.081 -14.823 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.359 -13.686 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.506 -11.812 -1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.466 -12.888 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 61 5.588 -13.230 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.468 -11.396 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.811 -10.907 -5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.751 -12.599 -5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.716 -11.585 -6.354 1.00 0.00 H new ATOM 883 N LEU A 62 10.510 -13.466 1.920 1.00 0.00 N ATOM 884 CA LEU A 62 11.338 -13.989 3.001 1.00 0.00 C ATOM 885 C LEU A 62 10.832 -13.507 4.356 1.00 0.00 C ATOM 886 O LEU A 62 10.815 -14.263 5.327 1.00 0.00 O ATOM 887 CB LEU A 62 12.794 -13.561 2.806 1.00 0.00 C ATOM 888 CG LEU A 62 13.600 -14.369 1.788 1.00 0.00 C ATOM 889 CD1 LEU A 62 14.881 -13.637 1.420 1.00 0.00 C ATOM 890 CD2 LEU A 62 13.914 -15.754 2.335 1.00 0.00 C ATOM 0 H LEU A 62 11.023 -12.940 1.213 1.00 0.00 H new ATOM 0 HA LEU A 62 11.279 -15.077 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.807 -12.515 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.301 -13.619 3.769 1.00 0.00 H new ATOM 0 HG LEU A 62 12.999 -14.484 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.442 -14.227 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.635 -12.668 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.486 -13.491 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.488 -16.315 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.496 -15.660 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.984 -16.281 2.548 1.00 0.00 H new ATOM 902 N GLN A 63 10.419 -12.245 4.413 1.00 0.00 N ATOM 903 CA GLN A 63 9.911 -11.663 5.650 1.00 0.00 C ATOM 904 C GLN A 63 8.419 -11.936 5.807 1.00 0.00 C ATOM 905 O GLN A 63 7.946 -12.246 6.901 1.00 0.00 O ATOM 906 CB GLN A 63 10.171 -10.156 5.674 1.00 0.00 C ATOM 907 CG GLN A 63 11.594 -9.790 6.063 1.00 0.00 C ATOM 908 CD GLN A 63 11.707 -8.377 6.602 1.00 0.00 C ATOM 909 OE1 GLN A 63 11.565 -7.404 5.861 1.00 0.00 O ATOM 910 NE2 GLN A 63 11.962 -8.258 7.900 1.00 0.00 N ATOM 0 H GLN A 63 10.426 -11.606 3.618 1.00 0.00 H new ATOM 0 HA GLN A 63 10.437 -12.128 6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.955 -9.743 4.689 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.480 -9.688 6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.953 -10.492 6.816 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.243 -9.896 5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.072 -9.092 8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.048 -7.333 8.320 1.00 0.00 H new ATOM 919 N SER A 64 7.682 -11.819 4.708 1.00 0.00 N ATOM 920 CA SER A 64 6.242 -12.050 4.724 1.00 0.00 C ATOM 921 C SER A 64 5.930 -13.516 5.007 1.00 0.00 C ATOM 922 O SER A 64 6.767 -14.392 4.794 1.00 0.00 O ATOM 923 CB SER A 64 5.622 -11.633 3.389 1.00 0.00 C ATOM 924 OG SER A 64 5.659 -12.697 2.455 1.00 0.00 O ATOM 0 H SER A 64 8.058 -11.565 3.794 1.00 0.00 H new ATOM 0 HA SER A 64 5.811 -11.445 5.521 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.590 -11.319 3.546 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.159 -10.774 2.988 1.00 0.00 H new ATOM 0 HG SER A 64 5.256 -12.405 1.611 1.00 0.00 H new ATOM 930 N ASN A 65 4.718 -13.775 5.488 1.00 0.00 N ATOM 931 CA ASN A 65 4.294 -15.135 5.801 1.00 0.00 C ATOM 932 C ASN A 65 2.783 -15.281 5.652 1.00 0.00 C ATOM 933 O ASN A 65 2.100 -14.353 5.221 1.00 0.00 O ATOM 934 CB ASN A 65 4.716 -15.508 7.224 1.00 0.00 C ATOM 935 CG ASN A 65 4.140 -14.566 8.264 1.00 0.00 C ATOM 936 OD1 ASN A 65 2.950 -14.253 8.242 1.00 0.00 O ATOM 937 ND2 ASN A 65 4.985 -14.109 9.180 1.00 0.00 N ATOM 0 H ASN A 65 4.012 -13.061 5.669 1.00 0.00 H new ATOM 0 HA ASN A 65 4.778 -15.811 5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.392 -16.526 7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.804 -15.498 7.292 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.656 -13.471 9.905 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.964 -14.396 9.159 1.00 0.00 H new ATOM 944 N GLU A 66 2.269 -16.453 6.011 1.00 0.00 N ATOM 945 CA GLU A 66 0.839 -16.721 5.917 1.00 0.00 C ATOM 946 C GLU A 66 0.032 -15.611 6.585 1.00 0.00 C ATOM 947 O GLU A 66 -1.088 -15.308 6.174 1.00 0.00 O ATOM 948 CB GLU A 66 0.506 -18.067 6.562 1.00 0.00 C ATOM 949 CG GLU A 66 -0.730 -18.733 5.979 1.00 0.00 C ATOM 950 CD GLU A 66 -0.947 -20.134 6.517 1.00 0.00 C ATOM 951 OE1 GLU A 66 -0.267 -21.065 6.036 1.00 0.00 O ATOM 952 OE2 GLU A 66 -1.795 -20.300 7.417 1.00 0.00 O ATOM 0 H GLU A 66 2.821 -17.232 6.370 1.00 0.00 H new ATOM 0 HA GLU A 66 0.571 -16.756 4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.358 -18.737 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.359 -17.921 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.606 -18.123 6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.638 -18.775 4.894 1.00 0.00 H new ATOM 959 N VAL A 67 0.610 -15.008 7.619 1.00 0.00 N ATOM 960 CA VAL A 67 -0.053 -13.931 8.345 1.00 0.00 C ATOM 961 C VAL A 67 0.834 -12.694 8.424 1.00 0.00 C ATOM 962 O VAL A 67 0.848 -11.989 9.434 1.00 0.00 O ATOM 963 CB VAL A 67 -0.434 -14.368 9.772 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.341 -15.589 9.732 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.814 -14.647 10.595 1.00 0.00 C ATOM 0 H VAL A 67 1.536 -15.247 7.973 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.961 -13.689 7.792 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.981 -13.554 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.600 -15.883 10.749 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.250 -15.349 9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.823 -16.411 9.237 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.526 -14.954 11.600 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.390 -15.443 10.123 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.422 -13.744 10.652 1.00 0.00 H new ATOM 975 N THR A 68 1.575 -12.434 7.351 1.00 0.00 N ATOM 976 CA THR A 68 2.466 -11.281 7.298 1.00 0.00 C ATOM 977 C THR A 68 2.719 -10.848 5.859 1.00 0.00 C ATOM 978 O THR A 68 2.934 -11.681 4.977 1.00 0.00 O ATOM 979 CB THR A 68 3.815 -11.583 7.977 1.00 0.00 C ATOM 980 OG1 THR A 68 3.598 -12.034 9.319 1.00 0.00 O ATOM 981 CG2 THR A 68 4.703 -10.348 7.989 1.00 0.00 C ATOM 0 H THR A 68 1.576 -13.006 6.507 1.00 0.00 H new ATOM 0 HA THR A 68 1.970 -10.473 7.835 1.00 0.00 H new ATOM 0 HB THR A 68 4.316 -12.366 7.408 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.027 -12.830 9.308 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.650 -10.586 8.473 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.890 -10.025 6.965 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.206 -9.548 8.537 1.00 0.00 H new ATOM 989 N LEU A 69 2.695 -9.540 5.627 1.00 0.00 N ATOM 990 CA LEU A 69 2.924 -8.995 4.293 1.00 0.00 C ATOM 991 C LEU A 69 3.890 -7.816 4.345 1.00 0.00 C ATOM 992 O LEU A 69 3.513 -6.707 4.723 1.00 0.00 O ATOM 993 CB LEU A 69 1.599 -8.557 3.666 1.00 0.00 C ATOM 994 CG LEU A 69 0.846 -9.626 2.872 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.424 -9.046 2.269 1.00 0.00 C ATOM 996 CD2 LEU A 69 1.737 -10.209 1.785 1.00 0.00 C ATOM 0 H LEU A 69 2.519 -8.837 6.345 1.00 0.00 H new ATOM 0 HA LEU A 69 3.369 -9.778 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.946 -8.196 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.794 -7.712 3.005 1.00 0.00 H new ATOM 0 HG LEU A 69 0.566 -10.429 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.947 -9.820 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.070 -8.677 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.167 -8.224 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.185 -10.968 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.047 -9.416 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.618 -10.662 2.240 1.00 0.00 H new ATOM 1008 N THR A 70 5.138 -8.063 3.959 1.00 0.00 N ATOM 1009 CA THR A 70 6.158 -7.022 3.960 1.00 0.00 C ATOM 1010 C THR A 70 6.447 -6.534 2.545 1.00 0.00 C ATOM 1011 O THR A 70 6.708 -7.332 1.644 1.00 0.00 O ATOM 1012 CB THR A 70 7.469 -7.521 4.597 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.201 -8.104 5.877 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.464 -6.381 4.751 1.00 0.00 C ATOM 0 H THR A 70 5.466 -8.975 3.642 1.00 0.00 H new ATOM 0 HA THR A 70 5.766 -6.196 4.553 1.00 0.00 H new ATOM 0 HB THR A 70 7.903 -8.274 3.939 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.979 -7.984 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.382 -6.758 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.688 -5.959 3.771 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.036 -5.608 5.389 1.00 0.00 H new ATOM 1022 N LEU A 71 6.400 -5.220 2.357 1.00 0.00 N ATOM 1023 CA LEU A 71 6.657 -4.625 1.050 1.00 0.00 C ATOM 1024 C LEU A 71 7.378 -3.288 1.193 1.00 0.00 C ATOM 1025 O LEU A 71 7.438 -2.715 2.282 1.00 0.00 O ATOM 1026 CB LEU A 71 5.345 -4.431 0.288 1.00 0.00 C ATOM 1027 CG LEU A 71 4.391 -3.377 0.852 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.566 -2.754 -0.263 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.485 -3.989 1.910 1.00 0.00 C ATOM 0 H LEU A 71 6.186 -4.546 3.093 1.00 0.00 H new ATOM 0 HA LEU A 71 7.298 -5.305 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.582 -4.164 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.821 -5.387 0.257 1.00 0.00 H new ATOM 0 HG LEU A 71 4.984 -2.591 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.893 -2.006 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.230 -2.280 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.983 -3.529 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.813 -3.224 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.900 -4.794 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.092 -4.387 2.723 1.00 0.00 H new ATOM 1041 N THR A 72 7.922 -2.793 0.086 1.00 0.00 N ATOM 1042 CA THR A 72 8.637 -1.523 0.088 1.00 0.00 C ATOM 1043 C THR A 72 7.755 -0.395 -0.433 1.00 0.00 C ATOM 1044 O THR A 72 7.509 -0.288 -1.634 1.00 0.00 O ATOM 1045 CB THR A 72 9.915 -1.597 -0.770 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.678 -2.755 -0.413 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.764 -0.348 -0.585 1.00 0.00 C ATOM 0 H THR A 72 7.881 -3.252 -0.824 1.00 0.00 H new ATOM 0 HA THR A 72 8.913 -1.317 1.122 1.00 0.00 H new ATOM 0 HB THR A 72 9.620 -1.665 -1.817 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.488 -2.796 -0.964 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.661 -0.423 -1.200 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.191 0.529 -0.885 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.050 -0.254 0.463 1.00 0.00 H new ATOM 1055 N VAL A 73 7.280 0.448 0.480 1.00 0.00 N ATOM 1056 CA VAL A 73 6.426 1.571 0.112 1.00 0.00 C ATOM 1057 C VAL A 73 6.899 2.221 -1.183 1.00 0.00 C ATOM 1058 O VAL A 73 8.039 2.671 -1.300 1.00 0.00 O ATOM 1059 CB VAL A 73 6.389 2.635 1.225 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.457 3.775 0.842 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.966 2.011 2.546 1.00 0.00 C ATOM 0 H VAL A 73 7.472 0.374 1.479 1.00 0.00 H new ATOM 0 HA VAL A 73 5.422 1.171 -0.032 1.00 0.00 H new ATOM 0 HB VAL A 73 7.393 3.042 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.443 4.517 1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.809 4.239 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.450 3.386 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.946 2.778 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.973 1.575 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.676 1.233 2.825 1.00 0.00 H new ATOM 1071 N PRO A 74 6.004 2.272 -2.181 1.00 0.00 N ATOM 1072 CA PRO A 74 6.307 2.866 -3.486 1.00 0.00 C ATOM 1073 C PRO A 74 6.458 4.382 -3.412 1.00 0.00 C ATOM 1074 O PRO A 74 6.239 4.985 -2.362 1.00 0.00 O ATOM 1075 CB PRO A 74 5.091 2.491 -4.337 1.00 0.00 C ATOM 1076 CG PRO A 74 3.986 2.301 -3.356 1.00 0.00 C ATOM 1077 CD PRO A 74 4.627 1.754 -2.111 1.00 0.00 C ATOM 0 HA PRO A 74 7.254 2.505 -3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.853 3.276 -5.055 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.273 1.581 -4.909 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.479 3.244 -3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.235 1.613 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.114 2.095 -1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.608 0.664 -2.095 1.00 0.00 H new ATOM 1085 N GLU A 75 6.833 4.990 -4.533 1.00 0.00 N ATOM 1086 CA GLU A 75 7.013 6.436 -4.593 1.00 0.00 C ATOM 1087 C GLU A 75 5.740 7.123 -5.081 1.00 0.00 C ATOM 1088 O GLU A 75 5.125 6.693 -6.057 1.00 0.00 O ATOM 1089 CB GLU A 75 8.181 6.789 -5.516 1.00 0.00 C ATOM 1090 CG GLU A 75 9.541 6.675 -4.846 1.00 0.00 C ATOM 1091 CD GLU A 75 10.143 5.290 -4.979 1.00 0.00 C ATOM 1092 OE1 GLU A 75 9.868 4.439 -4.107 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.888 5.057 -5.953 1.00 0.00 O ATOM 0 H GLU A 75 7.018 4.505 -5.411 1.00 0.00 H new ATOM 0 HA GLU A 75 7.234 6.791 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.157 6.132 -6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.049 7.807 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.220 7.406 -5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.443 6.925 -3.789 1.00 0.00 H new ATOM 1100 N TYR A 76 5.352 8.191 -4.394 1.00 0.00 N ATOM 1101 CA TYR A 76 4.151 8.936 -4.755 1.00 0.00 C ATOM 1102 C TYR A 76 4.396 9.800 -5.988 1.00 0.00 C ATOM 1103 O TYR A 76 5.422 10.471 -6.096 1.00 0.00 O ATOM 1104 CB TYR A 76 3.700 9.813 -3.586 1.00 0.00 C ATOM 1105 CG TYR A 76 2.396 10.536 -3.839 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.355 9.914 -4.519 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.204 11.840 -3.399 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.163 10.571 -4.753 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.014 12.503 -3.628 1.00 0.00 C ATOM 1110 CZ TYR A 76 -0.003 11.864 -4.306 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.190 12.522 -4.536 1.00 0.00 O ATOM 0 H TYR A 76 5.851 8.561 -3.585 1.00 0.00 H new ATOM 0 HA TYR A 76 3.365 8.218 -4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.595 9.192 -2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.477 10.547 -3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.481 8.900 -4.870 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.999 12.344 -2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.635 10.074 -5.284 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.881 13.516 -3.278 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.902 11.867 -4.694 1.00 0.00 H new ATOM 1121 N SER A 77 3.445 9.778 -6.916 1.00 0.00 N ATOM 1122 CA SER A 77 3.557 10.556 -8.145 1.00 0.00 C ATOM 1123 C SER A 77 4.214 11.907 -7.874 1.00 0.00 C ATOM 1124 O SER A 77 5.190 12.275 -8.525 1.00 0.00 O ATOM 1125 CB SER A 77 2.176 10.764 -8.770 1.00 0.00 C ATOM 1126 OG SER A 77 2.122 11.981 -9.494 1.00 0.00 O ATOM 0 H SER A 77 2.588 9.230 -6.841 1.00 0.00 H new ATOM 0 HA SER A 77 4.183 10.000 -8.843 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.945 9.931 -9.434 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.416 10.768 -7.988 1.00 0.00 H new ATOM 0 HG SER A 77 1.230 12.090 -9.885 1.00 0.00 H new ATOM 1132 N ASN A 78 3.669 12.640 -6.908 1.00 0.00 N ATOM 1133 CA ASN A 78 4.201 13.950 -6.551 1.00 0.00 C ATOM 1134 C ASN A 78 4.957 13.887 -5.227 1.00 0.00 C ATOM 1135 O ASN A 78 4.378 13.590 -4.182 1.00 0.00 O ATOM 1136 CB ASN A 78 3.068 14.974 -6.456 1.00 0.00 C ATOM 1137 CG ASN A 78 3.530 16.379 -6.792 1.00 0.00 C ATOM 1138 OD1 ASN A 78 4.690 16.730 -6.579 1.00 0.00 O ATOM 1139 ND2 ASN A 78 2.621 17.190 -7.319 1.00 0.00 N ATOM 0 H ASN A 78 2.860 12.349 -6.359 1.00 0.00 H new ATOM 0 HA ASN A 78 4.896 14.258 -7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.264 14.687 -7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.654 14.962 -5.448 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.873 18.147 -7.565 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.671 16.856 -7.478 1.00 0.00 H new ATOM 1146 N LYS A 79 6.254 14.171 -5.280 1.00 0.00 N ATOM 1147 CA LYS A 79 7.091 14.149 -4.086 1.00 0.00 C ATOM 1148 C LYS A 79 7.396 15.566 -3.610 1.00 0.00 C ATOM 1149 O LYS A 79 7.492 15.820 -2.409 1.00 0.00 O ATOM 1150 CB LYS A 79 8.396 13.401 -4.366 1.00 0.00 C ATOM 1151 CG LYS A 79 8.189 11.978 -4.855 1.00 0.00 C ATOM 1152 CD LYS A 79 9.508 11.237 -4.988 1.00 0.00 C ATOM 1153 CE LYS A 79 9.449 10.186 -6.087 1.00 0.00 C ATOM 1154 NZ LYS A 79 9.840 10.745 -7.410 1.00 0.00 N ATOM 0 H LYS A 79 6.748 14.419 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 79 6.544 13.630 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.968 13.953 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.995 13.380 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.539 11.445 -4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.681 11.994 -5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.305 11.948 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.756 10.760 -4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.110 9.357 -5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.439 9.781 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.787 9.998 -8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.194 11.519 -7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.813 11.109 -7.359 1.00 0.00 H new ATOM 1168 N ARG A 80 7.547 16.484 -4.559 1.00 0.00 N ATOM 1169 CA ARG A 80 7.841 17.875 -4.236 1.00 0.00 C ATOM 1170 C ARG A 80 6.578 18.610 -3.795 1.00 0.00 C ATOM 1171 O ARG A 80 6.259 19.681 -4.310 1.00 0.00 O ATOM 1172 CB ARG A 80 8.459 18.582 -5.444 1.00 0.00 C ATOM 1173 CG ARG A 80 7.586 18.540 -6.687 1.00 0.00 C ATOM 1174 CD ARG A 80 8.319 19.088 -7.901 1.00 0.00 C ATOM 1175 NE ARG A 80 8.356 20.548 -7.906 1.00 0.00 N ATOM 1176 CZ ARG A 80 8.819 21.268 -8.921 1.00 0.00 C ATOM 1177 NH1 ARG A 80 9.281 20.667 -10.009 1.00 0.00 N ATOM 1178 NH2 ARG A 80 8.820 22.593 -8.850 1.00 0.00 N ATOM 0 H ARG A 80 7.471 16.290 -5.557 1.00 0.00 H new ATOM 0 HA ARG A 80 8.554 17.887 -3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.656 19.622 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.421 18.122 -5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.276 17.513 -6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.679 19.120 -6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.337 18.700 -7.915 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.831 18.735 -8.809 1.00 0.00 H new ATOM 0 HE ARG A 80 8.007 21.042 -7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.281 19.649 -10.068 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.636 21.223 -10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.465 23.059 -8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.176 23.145 -9.630 1.00 0.00 H new ATOM 1192 N VAL A 81 5.863 18.026 -2.839 1.00 0.00 N ATOM 1193 CA VAL A 81 4.636 18.625 -2.328 1.00 0.00 C ATOM 1194 C VAL A 81 4.847 19.208 -0.936 1.00 0.00 C ATOM 1195 O VAL A 81 5.530 18.616 -0.100 1.00 0.00 O ATOM 1196 CB VAL A 81 3.490 17.596 -2.273 1.00 0.00 C ATOM 1197 CG1 VAL A 81 2.981 17.289 -3.673 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.949 16.326 -1.573 1.00 0.00 C ATOM 0 H VAL A 81 6.112 17.138 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 81 4.364 19.425 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 81 2.668 18.023 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.172 16.561 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.612 18.205 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.794 16.881 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.128 15.610 -1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.788 15.893 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.261 16.564 -0.556 1.00 0.00 H new ATOM 1208 N SER A 82 4.256 20.374 -0.693 1.00 0.00 N ATOM 1209 CA SER A 82 4.382 21.040 0.598 1.00 0.00 C ATOM 1210 C SER A 82 3.295 20.571 1.560 1.00 0.00 C ATOM 1211 O SER A 82 3.352 20.845 2.759 1.00 0.00 O ATOM 1212 CB SER A 82 4.303 22.558 0.422 1.00 0.00 C ATOM 1213 OG SER A 82 4.936 23.230 1.497 1.00 0.00 O ATOM 0 H SER A 82 3.686 20.877 -1.373 1.00 0.00 H new ATOM 0 HA SER A 82 5.353 20.780 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.776 22.843 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.259 22.866 0.361 1.00 0.00 H new ATOM 0 HG SER A 82 4.873 24.198 1.360 1.00 0.00 H new ATOM 1219 N ARG A 83 2.305 19.863 1.025 1.00 0.00 N ATOM 1220 CA ARG A 83 1.204 19.357 1.835 1.00 0.00 C ATOM 1221 C ARG A 83 1.043 17.850 1.653 1.00 0.00 C ATOM 1222 O ARG A 83 1.307 17.298 0.585 1.00 0.00 O ATOM 1223 CB ARG A 83 -0.099 20.068 1.464 1.00 0.00 C ATOM 1224 CG ARG A 83 -0.200 21.481 2.015 1.00 0.00 C ATOM 1225 CD ARG A 83 -1.485 22.161 1.570 1.00 0.00 C ATOM 1226 NE ARG A 83 -2.626 21.767 2.392 1.00 0.00 N ATOM 1227 CZ ARG A 83 -3.868 22.185 2.174 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -4.128 23.004 1.164 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -4.854 21.782 2.965 1.00 0.00 N ATOM 0 H ARG A 83 2.243 19.627 0.035 1.00 0.00 H new ATOM 0 HA ARG A 83 1.434 19.557 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.187 20.103 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.941 19.482 1.833 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.161 21.452 3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.657 22.065 1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.359 23.243 1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.685 21.911 0.528 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.460 21.136 3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.373 23.315 0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.083 23.323 0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.659 21.150 3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.807 22.104 2.796 1.00 0.00 H new ATOM 1243 N PRO A 84 0.601 17.169 2.720 1.00 0.00 N ATOM 1244 CA PRO A 84 0.395 15.718 2.703 1.00 0.00 C ATOM 1245 C PRO A 84 -0.786 15.310 1.830 1.00 0.00 C ATOM 1246 O PRO A 84 -1.697 16.103 1.590 1.00 0.00 O ATOM 1247 CB PRO A 84 0.118 15.382 4.171 1.00 0.00 C ATOM 1248 CG PRO A 84 -0.424 16.642 4.752 1.00 0.00 C ATOM 1249 CD PRO A 84 0.267 17.763 4.026 1.00 0.00 C ATOM 0 HA PRO A 84 1.252 15.189 2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.597 14.564 4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.027 15.069 4.684 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.505 16.699 4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.230 16.693 5.823 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.382 18.632 3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.159 18.095 4.556 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.766 14.067 1.358 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.837 13.553 0.513 1.00 0.00 C ATOM 1259 C VAL A 85 -2.409 12.258 1.077 1.00 0.00 C ATOM 1260 O VAL A 85 -1.667 11.377 1.511 1.00 0.00 O ATOM 1261 CB VAL A 85 -1.346 13.301 -0.925 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.462 12.714 -1.776 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.815 14.587 -1.540 1.00 0.00 C ATOM 0 H VAL A 85 -0.020 13.398 1.547 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.618 14.314 0.494 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.531 12.579 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.096 12.543 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.790 11.768 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.301 13.409 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.472 14.390 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.608 15.334 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.017 14.960 -0.942 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.734 12.149 1.069 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.406 10.961 1.580 1.00 0.00 C ATOM 1275 C GLN A 86 -4.579 9.917 0.481 1.00 0.00 C ATOM 1276 O GLN A 86 -5.267 10.154 -0.511 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.769 11.332 2.166 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.601 10.129 2.582 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.934 9.306 3.667 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.308 9.848 4.578 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -6.065 7.988 3.575 1.00 0.00 N ATOM 0 H GLN A 86 -4.363 12.869 0.714 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.784 10.534 2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.619 11.977 3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.326 11.911 1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.574 10.470 2.936 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.781 9.498 1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.593 7.581 2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.638 7.383 4.276 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.949 8.761 0.666 1.00 0.00 N ATOM 1291 CA VAL A 87 -4.034 7.681 -0.310 1.00 0.00 C ATOM 1292 C VAL A 87 -4.468 6.377 0.350 1.00 0.00 C ATOM 1293 O VAL A 87 -4.480 6.264 1.576 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.685 7.459 -1.020 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -2.284 8.699 -1.805 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.608 7.084 -0.013 1.00 0.00 C ATOM 0 H VAL A 87 -3.375 8.549 1.482 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.780 7.978 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.796 6.633 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.329 8.523 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.045 8.918 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.190 9.546 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.662 6.931 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.496 7.887 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.893 6.165 0.500 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.823 5.395 -0.470 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.261 4.098 0.034 1.00 0.00 C ATOM 1308 C TYR A 88 -4.581 2.962 -0.724 1.00 0.00 C ATOM 1309 O TYR A 88 -3.968 3.177 -1.770 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.780 3.968 -0.084 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.540 4.831 0.899 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.678 6.197 0.692 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.120 4.278 2.034 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.370 6.989 1.588 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.816 5.062 2.934 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.937 6.417 2.707 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.629 7.202 3.601 1.00 0.00 O ATOM 0 H TYR A 88 -4.816 5.472 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.978 4.030 1.085 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.081 4.234 -1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.060 2.926 0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.237 6.648 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.025 3.218 2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.466 8.050 1.413 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.263 4.616 3.810 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.966 6.645 4.333 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.696 1.751 -0.189 1.00 0.00 N ATOM 1328 CA PHE A 89 -4.094 0.579 -0.813 1.00 0.00 C ATOM 1329 C PHE A 89 -4.879 -0.684 -0.471 1.00 0.00 C ATOM 1330 O PHE A 89 -5.657 -0.705 0.483 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.639 0.426 -0.363 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.467 0.453 1.129 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.777 -0.659 1.895 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -1.994 1.590 1.764 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.621 -0.636 3.268 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.835 1.618 3.137 1.00 0.00 C ATOM 1337 CZ PHE A 89 -2.148 0.503 3.890 1.00 0.00 C ATOM 0 H PHE A 89 -5.201 1.556 0.676 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.120 0.720 -1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.245 -0.514 -0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.045 1.226 -0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.145 -1.553 1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.747 2.464 1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.869 -1.508 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.466 2.511 3.620 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.023 0.522 4.963 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.669 -1.735 -1.256 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.359 -3.001 -1.039 1.00 0.00 C ATOM 1349 C TYR A 90 -4.511 -4.173 -1.522 1.00 0.00 C ATOM 1350 O TYR A 90 -3.462 -3.983 -2.138 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.708 -3.001 -1.761 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.591 -2.875 -3.263 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.397 -3.997 -4.060 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.672 -1.636 -3.885 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.288 -3.887 -5.433 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.567 -1.516 -5.257 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.374 -2.645 -6.027 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.267 -2.530 -7.394 1.00 0.00 O ATOM 0 H TYR A 90 -4.027 -1.735 -2.048 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.528 -3.115 0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.238 -3.923 -1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.314 -2.178 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.330 -4.971 -3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.820 -0.750 -3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.136 -4.769 -6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.636 -0.545 -5.724 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.350 -1.588 -7.651 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.973 -5.386 -1.238 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.259 -6.591 -1.644 1.00 0.00 C ATOM 1370 C VAL A 91 -5.060 -7.385 -2.669 1.00 0.00 C ATOM 1371 O VAL A 91 -6.278 -7.519 -2.553 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.953 -7.496 -0.435 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.116 -8.692 -0.862 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.250 -6.705 0.657 1.00 0.00 C ATOM 0 H VAL A 91 -5.839 -5.561 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.320 -6.267 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.895 -7.868 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.910 -9.320 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.662 -9.270 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.176 -8.344 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.041 -7.359 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.314 -6.303 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.890 -5.885 0.982 1.00 0.00 H new ATOM 1384 N SER A 92 -4.368 -7.911 -3.675 1.00 0.00 N ATOM 1385 CA SER A 92 -5.015 -8.689 -4.724 1.00 0.00 C ATOM 1386 C SER A 92 -4.810 -10.184 -4.496 1.00 0.00 C ATOM 1387 O SER A 92 -3.696 -10.693 -4.605 1.00 0.00 O ATOM 1388 CB SER A 92 -4.466 -8.292 -6.096 1.00 0.00 C ATOM 1389 OG SER A 92 -5.132 -8.989 -7.134 1.00 0.00 O ATOM 0 H SER A 92 -3.359 -7.812 -3.785 1.00 0.00 H new ATOM 0 HA SER A 92 -6.084 -8.476 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.584 -7.218 -6.241 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.398 -8.504 -6.139 1.00 0.00 H new ATOM 0 HG SER A 92 -4.764 -8.716 -8.000 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.896 -10.881 -4.178 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.837 -12.318 -3.933 1.00 0.00 C ATOM 1397 C ASN A 93 -6.904 -13.051 -4.740 1.00 0.00 C ATOM 1398 O ASN A 93 -8.084 -13.033 -4.390 1.00 0.00 O ATOM 1399 CB ASN A 93 -6.018 -12.610 -2.442 1.00 0.00 C ATOM 1400 CG ASN A 93 -5.078 -11.796 -1.575 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -4.873 -10.605 -1.811 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.501 -12.436 -0.564 1.00 0.00 N ATOM 0 H ASN A 93 -6.827 -10.475 -4.084 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.857 -12.676 -4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.048 -12.397 -2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.849 -13.671 -2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.859 -11.940 0.054 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.700 -13.424 -0.406 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.481 -13.697 -5.822 1.00 0.00 N ATOM 1410 CA GLY A 94 -7.412 -14.428 -6.661 1.00 0.00 C ATOM 1411 C GLY A 94 -7.979 -13.575 -7.779 1.00 0.00 C ATOM 1412 O GLY A 94 -7.237 -12.890 -8.483 1.00 0.00 O ATOM 0 H GLY A 94 -5.510 -13.727 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.907 -15.294 -7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.229 -14.807 -6.047 1.00 0.00 H new ATOM 1416 N ARG A 95 -9.297 -13.617 -7.943 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.962 -12.844 -8.985 1.00 0.00 C ATOM 1418 C ARG A 95 -11.111 -12.025 -8.404 1.00 0.00 C ATOM 1419 O ARG A 95 -11.333 -10.881 -8.800 1.00 0.00 O ATOM 1420 CB ARG A 95 -10.486 -13.772 -10.082 1.00 0.00 C ATOM 1421 CG ARG A 95 -11.430 -14.847 -9.570 1.00 0.00 C ATOM 1422 CD ARG A 95 -12.282 -15.421 -10.692 1.00 0.00 C ATOM 1423 NE ARG A 95 -13.405 -16.202 -10.182 1.00 0.00 N ATOM 1424 CZ ARG A 95 -14.424 -16.603 -10.935 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -14.459 -16.298 -12.225 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -15.409 -17.311 -10.398 1.00 0.00 N ATOM 0 H ARG A 95 -9.925 -14.178 -7.368 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.232 -12.159 -9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.002 -13.176 -10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.640 -14.249 -10.577 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.854 -15.646 -9.104 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -12.076 -14.428 -8.799 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.658 -14.608 -11.313 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.663 -16.051 -11.331 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.408 -16.454 -9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -13.703 -15.755 -12.641 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.242 -16.607 -12.801 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.385 -17.548 -9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.191 -17.618 -10.977 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.838 -12.619 -7.463 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.965 -11.945 -6.829 1.00 0.00 C ATOM 1442 C ARG A 96 -12.617 -11.530 -5.403 1.00 0.00 C ATOM 1443 O ARG A 96 -13.028 -10.467 -4.937 1.00 0.00 O ATOM 1444 CB ARG A 96 -14.193 -12.858 -6.821 1.00 0.00 C ATOM 1445 CG ARG A 96 -13.969 -14.173 -6.093 1.00 0.00 C ATOM 1446 CD ARG A 96 -15.248 -14.993 -6.019 1.00 0.00 C ATOM 1447 NE ARG A 96 -15.024 -16.301 -5.409 1.00 0.00 N ATOM 1448 CZ ARG A 96 -14.805 -16.479 -4.111 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -14.780 -15.438 -3.290 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -14.610 -17.701 -3.631 1.00 0.00 N ATOM 0 H ARG A 96 -11.667 -13.565 -7.123 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.191 -11.048 -7.405 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -15.024 -12.331 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.486 -13.067 -7.850 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.197 -14.747 -6.605 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.604 -13.975 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -15.996 -14.448 -5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -15.653 -15.125 -7.022 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.036 -17.123 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.929 -14.497 -3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.612 -15.578 -2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.628 -18.505 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.442 -17.837 -2.634 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.858 -12.375 -4.714 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.454 -12.096 -3.341 1.00 0.00 C ATOM 1466 C LYS A 97 -10.436 -10.961 -3.293 1.00 0.00 C ATOM 1467 O LYS A 97 -9.434 -10.983 -4.007 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.863 -13.352 -2.697 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.837 -14.516 -2.626 1.00 0.00 C ATOM 1470 CD LYS A 97 -11.183 -15.755 -2.039 1.00 0.00 C ATOM 1471 CE LYS A 97 -12.131 -16.945 -2.052 1.00 0.00 C ATOM 1472 NZ LYS A 97 -11.576 -18.105 -1.303 1.00 0.00 N ATOM 0 H LYS A 97 -11.510 -13.259 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.339 -11.790 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.983 -13.660 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.526 -13.109 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.697 -14.235 -2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.211 -14.740 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.285 -15.998 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.867 -15.551 -1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.086 -16.653 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.330 -17.240 -3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.237 -18.906 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.661 -18.378 -1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.442 -17.842 -0.306 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.701 -9.971 -2.447 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.808 -8.827 -2.306 1.00 0.00 C ATOM 1488 C ARG A 98 -9.814 -8.306 -0.872 1.00 0.00 C ATOM 1489 O ARG A 98 -10.635 -8.720 -0.054 1.00 0.00 O ATOM 1490 CB ARG A 98 -10.219 -7.711 -3.268 1.00 0.00 C ATOM 1491 CG ARG A 98 -9.545 -7.800 -4.627 1.00 0.00 C ATOM 1492 CD ARG A 98 -10.334 -7.052 -5.690 1.00 0.00 C ATOM 1493 NE ARG A 98 -9.540 -6.807 -6.891 1.00 0.00 N ATOM 1494 CZ ARG A 98 -10.064 -6.452 -8.059 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -11.376 -6.300 -8.182 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -9.276 -6.247 -9.106 1.00 0.00 N ATOM 0 H ARG A 98 -11.527 -9.938 -1.849 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.797 -9.154 -2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.300 -7.741 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.982 -6.748 -2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.538 -7.388 -4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.444 -8.846 -4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.222 -7.627 -5.954 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.679 -6.101 -5.283 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.528 -6.914 -6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.985 -6.456 -7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.776 -6.027 -9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.267 -6.362 -9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.679 -5.974 -10.002 1.00 0.00 H new ATOM 1510 N SER A 99 -8.893 -7.395 -0.575 1.00 0.00 N ATOM 1511 CA SER A 99 -8.789 -6.820 0.762 1.00 0.00 C ATOM 1512 C SER A 99 -9.314 -5.388 0.779 1.00 0.00 C ATOM 1513 O SER A 99 -9.323 -4.690 -0.236 1.00 0.00 O ATOM 1514 CB SER A 99 -7.337 -6.849 1.241 1.00 0.00 C ATOM 1515 OG SER A 99 -6.655 -5.663 0.872 1.00 0.00 O ATOM 0 H SER A 99 -8.208 -7.039 -1.242 1.00 0.00 H new ATOM 0 HA SER A 99 -9.399 -7.420 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.310 -6.966 2.324 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.827 -7.713 0.815 1.00 0.00 H new ATOM 0 HG SER A 99 -5.960 -5.466 1.534 1.00 0.00 H new ATOM 1521 N PRO A 100 -9.764 -4.937 1.959 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.299 -3.584 2.139 1.00 0.00 C ATOM 1523 C PRO A 100 -9.217 -2.514 2.031 1.00 0.00 C ATOM 1524 O PRO A 100 -8.043 -2.774 2.297 1.00 0.00 O ATOM 1525 CB PRO A 100 -10.879 -3.617 3.555 1.00 0.00 C ATOM 1526 CG PRO A 100 -10.109 -4.683 4.256 1.00 0.00 C ATOM 1527 CD PRO A 100 -9.784 -5.714 3.210 1.00 0.00 C ATOM 0 HA PRO A 100 -11.029 -3.329 1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.764 -2.654 4.052 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.945 -3.843 3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.200 -4.279 4.702 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.694 -5.119 5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.823 -6.192 3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.533 -6.505 3.180 1.00 0.00 H new ATOM 1535 N THR A 101 -9.620 -1.309 1.641 1.00 0.00 N ATOM 1536 CA THR A 101 -8.686 -0.200 1.497 1.00 0.00 C ATOM 1537 C THR A 101 -8.346 0.411 2.852 1.00 0.00 C ATOM 1538 O THR A 101 -9.234 0.685 3.658 1.00 0.00 O ATOM 1539 CB THR A 101 -9.254 0.898 0.579 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.592 1.222 0.973 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.243 0.448 -0.874 1.00 0.00 C ATOM 0 H THR A 101 -10.588 -1.076 1.419 1.00 0.00 H new ATOM 0 HA THR A 101 -7.780 -0.606 1.047 1.00 0.00 H new ATOM 0 HB THR A 101 -8.623 1.782 0.674 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.643 1.268 1.951 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.649 1.240 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.220 0.230 -1.180 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.853 -0.449 -0.982 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.057 0.623 3.094 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.601 1.202 4.352 1.00 0.00 C ATOM 1551 C GLN A 102 -6.350 2.699 4.202 1.00 0.00 C ATOM 1552 O GLN A 102 -5.884 3.159 3.160 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.326 0.504 4.827 1.00 0.00 C ATOM 1554 CG GLN A 102 -5.586 -0.776 5.604 1.00 0.00 C ATOM 1555 CD GLN A 102 -6.073 -1.907 4.719 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -5.286 -2.552 4.027 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -7.378 -2.153 4.738 1.00 0.00 N ATOM 0 H GLN A 102 -6.310 0.403 2.436 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.385 1.056 5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.704 0.274 3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -4.758 1.191 5.454 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.670 -1.083 6.108 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.327 -0.582 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.994 -1.593 5.327 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -7.764 -2.902 4.163 1.00 0.00 H new ATOM 1566 N SER A 103 -6.663 3.454 5.251 1.00 0.00 N ATOM 1567 CA SER A 103 -6.475 4.900 5.234 1.00 0.00 C ATOM 1568 C SER A 103 -5.005 5.259 5.426 1.00 0.00 C ATOM 1569 O SER A 103 -4.468 5.158 6.530 1.00 0.00 O ATOM 1570 CB SER A 103 -7.319 5.558 6.328 1.00 0.00 C ATOM 1571 OG SER A 103 -7.236 6.970 6.256 1.00 0.00 O ATOM 0 H SER A 103 -7.047 3.089 6.122 1.00 0.00 H new ATOM 0 HA SER A 103 -6.798 5.272 4.262 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.358 5.246 6.227 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.979 5.220 7.307 1.00 0.00 H new ATOM 0 HG SER A 103 -7.785 7.367 6.964 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.359 5.679 4.343 1.00 0.00 N ATOM 1578 CA PHE A 104 -2.950 6.053 4.391 1.00 0.00 C ATOM 1579 C PHE A 104 -2.756 7.500 3.949 1.00 0.00 C ATOM 1580 O PHE A 104 -3.628 8.087 3.309 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.123 5.121 3.502 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.715 4.925 3.985 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.464 4.551 5.295 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.358 5.115 3.129 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.831 4.370 5.742 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.656 4.936 3.571 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.892 4.562 4.879 1.00 0.00 C ATOM 0 H PHE A 104 -4.788 5.769 3.422 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.609 5.958 5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.618 4.151 3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.098 5.525 2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.290 4.399 5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.178 5.406 2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.013 4.079 6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.484 5.088 2.894 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.905 4.420 5.227 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.607 8.070 4.297 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.298 9.449 3.938 1.00 0.00 C ATOM 1599 C ARG A 105 0.210 9.669 3.873 1.00 0.00 C ATOM 1600 O ARG A 105 0.960 9.157 4.704 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.922 10.413 4.950 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.490 11.858 4.760 1.00 0.00 C ATOM 1603 CD ARG A 105 -2.046 12.754 5.856 1.00 0.00 C ATOM 1604 NE ARG A 105 -1.699 12.267 7.189 1.00 0.00 N ATOM 1605 CZ ARG A 105 -2.315 12.660 8.298 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.303 13.541 8.235 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -1.942 12.172 9.474 1.00 0.00 N ATOM 0 H ARG A 105 -0.875 7.598 4.827 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.719 9.645 2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.008 10.354 4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.655 10.092 5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.402 11.916 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.830 12.216 3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.661 13.766 5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -3.130 12.812 5.762 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.942 11.588 7.272 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.592 13.919 7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.774 13.841 9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.181 11.494 9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.416 12.475 10.325 1.00 0.00 H new ATOM 1621 N PHE A 106 0.649 10.435 2.879 1.00 0.00 N ATOM 1622 CA PHE A 106 2.068 10.722 2.703 1.00 0.00 C ATOM 1623 C PHE A 106 2.417 12.099 3.259 1.00 0.00 C ATOM 1624 O PHE A 106 1.807 13.103 2.890 1.00 0.00 O ATOM 1625 CB PHE A 106 2.446 10.646 1.223 1.00 0.00 C ATOM 1626 CG PHE A 106 2.242 9.285 0.621 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.748 8.155 1.242 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.544 9.136 -0.567 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.562 6.901 0.691 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.354 7.885 -1.123 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.865 6.766 -0.493 1.00 0.00 C ATOM 0 H PHE A 106 0.042 10.868 2.183 1.00 0.00 H new ATOM 0 HA PHE A 106 2.636 9.972 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.854 11.373 0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.491 10.932 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.295 8.255 2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.144 10.007 -1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.961 6.028 1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.807 7.782 -2.049 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.719 5.788 -0.926 1.00 0.00 H new ATOM 1641 N LEU A 107 3.401 12.139 4.150 1.00 0.00 N ATOM 1642 CA LEU A 107 3.832 13.392 4.759 1.00 0.00 C ATOM 1643 C LEU A 107 5.066 13.945 4.052 1.00 0.00 C ATOM 1644 O LEU A 107 5.984 13.209 3.688 1.00 0.00 O ATOM 1645 CB LEU A 107 4.132 13.185 6.245 1.00 0.00 C ATOM 1646 CG LEU A 107 3.069 12.430 7.044 1.00 0.00 C ATOM 1647 CD1 LEU A 107 3.699 11.717 8.230 1.00 0.00 C ATOM 1648 CD2 LEU A 107 1.977 13.382 7.510 1.00 0.00 C ATOM 0 H LEU A 107 3.916 11.318 4.467 1.00 0.00 H new ATOM 0 HA LEU A 107 3.022 14.114 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.075 12.646 6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.279 14.162 6.705 1.00 0.00 H new ATOM 0 HG LEU A 107 2.617 11.680 6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.927 11.185 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.444 11.006 7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.178 12.448 8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.229 12.828 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.414 14.154 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.505 13.846 6.644 1.00 0.00 H new ATOM 1660 N PRO A 108 5.092 15.271 3.855 1.00 0.00 N ATOM 1661 CA PRO A 108 6.209 15.952 3.193 1.00 0.00 C ATOM 1662 C PRO A 108 7.472 15.956 4.047 1.00 0.00 C ATOM 1663 O PRO A 108 7.406 16.067 5.271 1.00 0.00 O ATOM 1664 CB PRO A 108 5.690 17.379 2.999 1.00 0.00 C ATOM 1665 CG PRO A 108 4.666 17.558 4.067 1.00 0.00 C ATOM 1666 CD PRO A 108 4.032 16.208 4.263 1.00 0.00 C ATOM 0 HA PRO A 108 6.495 15.458 2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.494 18.109 3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.256 17.511 2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.123 17.912 4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 108 3.923 18.300 3.775 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.734 16.051 5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.136 16.092 3.653 1.00 0.00 H new ATOM 1674 N VAL A 109 8.623 15.835 3.393 1.00 0.00 N ATOM 1675 CA VAL A 109 9.903 15.826 4.092 1.00 0.00 C ATOM 1676 C VAL A 109 10.706 17.085 3.784 1.00 0.00 C ATOM 1677 O VAL A 109 11.639 17.431 4.509 1.00 0.00 O ATOM 1678 CB VAL A 109 10.741 14.591 3.714 1.00 0.00 C ATOM 1679 CG1 VAL A 109 10.205 13.349 4.410 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.758 14.400 2.205 1.00 0.00 C ATOM 0 H VAL A 109 8.695 15.742 2.380 1.00 0.00 H new ATOM 0 HA VAL A 109 9.681 15.792 5.159 1.00 0.00 H new ATOM 0 HB VAL A 109 11.766 14.753 4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.810 12.486 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.250 13.489 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 109 9.171 13.180 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.355 13.523 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.739 14.260 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.192 15.281 1.732 1.00 0.00 H new ATOM 1690 N ILE A 110 10.337 17.766 2.704 1.00 0.00 N ATOM 1691 CA ILE A 110 11.022 18.987 2.300 1.00 0.00 C ATOM 1692 C ILE A 110 11.260 19.904 3.495 1.00 0.00 C ATOM 1693 O ILE A 110 12.309 20.540 3.603 1.00 0.00 O ATOM 1694 CB ILE A 110 10.223 19.754 1.230 1.00 0.00 C ATOM 1695 CG1 ILE A 110 10.086 18.909 -0.038 1.00 0.00 C ATOM 1696 CG2 ILE A 110 10.895 21.083 0.918 1.00 0.00 C ATOM 1697 CD1 ILE A 110 8.967 19.363 -0.949 1.00 0.00 C ATOM 0 H ILE A 110 9.567 17.492 2.093 1.00 0.00 H new ATOM 0 HA ILE A 110 11.981 18.686 1.878 1.00 0.00 H new ATOM 0 HB ILE A 110 9.225 19.957 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 110 11.026 18.939 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.915 17.870 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.318 21.613 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.945 21.687 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 110 11.904 20.902 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.929 18.719 -1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 110 8.018 19.306 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.147 20.392 -1.261 1.00 0.00 H new ATOM 1709 N CYS A 111 10.281 19.966 4.391 1.00 0.00 N ATOM 1710 CA CYS A 111 10.384 20.805 5.580 1.00 0.00 C ATOM 1711 C CYS A 111 10.772 19.975 6.799 1.00 0.00 C ATOM 1712 O CYS A 111 11.755 20.271 7.478 1.00 0.00 O ATOM 1713 CB CYS A 111 9.059 21.524 5.838 1.00 0.00 C ATOM 1714 SG CYS A 111 8.613 22.730 4.567 1.00 0.00 S ATOM 0 H CYS A 111 9.407 19.445 4.317 1.00 0.00 H new ATOM 0 HA CYS A 111 11.164 21.547 5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 111 8.264 20.782 5.914 1.00 0.00 H new ATOM 0 HB3 CYS A 111 9.115 22.031 6.801 1.00 0.00 H new ATOM 0 HG CYS A 111 7.477 23.283 4.873 1.00 0.00 H new ATOM 1720 N LYS A 112 9.993 18.933 7.071 1.00 0.00 N ATOM 1721 CA LYS A 112 10.254 18.059 8.209 1.00 0.00 C ATOM 1722 C LYS A 112 11.112 16.868 7.794 1.00 0.00 C ATOM 1723 O LYS A 112 10.594 15.836 7.371 1.00 0.00 O ATOM 1724 CB LYS A 112 8.937 17.566 8.812 1.00 0.00 C ATOM 1725 CG LYS A 112 9.119 16.721 10.061 1.00 0.00 C ATOM 1726 CD LYS A 112 7.808 16.541 10.808 1.00 0.00 C ATOM 1727 CE LYS A 112 6.977 15.415 10.213 1.00 0.00 C ATOM 1728 NZ LYS A 112 5.872 15.001 11.121 1.00 0.00 N ATOM 0 H LYS A 112 9.176 18.673 6.519 1.00 0.00 H new ATOM 0 HA LYS A 112 10.798 18.633 8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.313 18.426 9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.400 16.983 8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.519 15.745 9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.851 17.192 10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.012 16.328 11.857 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.239 17.470 10.776 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.561 15.736 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.619 14.558 10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.329 14.232 10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.270 14.670 12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.244 15.811 11.296 1.00 0.00 H new ATOM 1742 N GLU A 113 12.427 17.020 7.920 1.00 0.00 N ATOM 1743 CA GLU A 113 13.356 15.955 7.559 1.00 0.00 C ATOM 1744 C GLU A 113 14.103 15.445 8.787 1.00 0.00 C ATOM 1745 O GLU A 113 14.119 16.096 9.831 1.00 0.00 O ATOM 1746 CB GLU A 113 14.354 16.453 6.511 1.00 0.00 C ATOM 1747 CG GLU A 113 14.861 15.360 5.585 1.00 0.00 C ATOM 1748 CD GLU A 113 15.403 15.907 4.279 1.00 0.00 C ATOM 1749 OE1 GLU A 113 14.905 16.957 3.823 1.00 0.00 O ATOM 1750 OE2 GLU A 113 16.327 15.284 3.714 1.00 0.00 O ATOM 0 H GLU A 113 12.872 17.869 8.269 1.00 0.00 H new ATOM 0 HA GLU A 113 12.779 15.131 7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.882 17.233 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.203 16.910 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.644 14.795 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 113 14.050 14.663 5.374 1.00 0.00 H new ATOM 1757 N GLU A 114 14.720 14.274 8.654 1.00 0.00 N ATOM 1758 CA GLU A 114 15.468 13.676 9.753 1.00 0.00 C ATOM 1759 C GLU A 114 16.967 13.896 9.575 1.00 0.00 C ATOM 1760 O GLU A 114 17.398 14.570 8.641 1.00 0.00 O ATOM 1761 CB GLU A 114 15.168 12.178 9.847 1.00 0.00 C ATOM 1762 CG GLU A 114 16.063 11.439 10.827 1.00 0.00 C ATOM 1763 CD GLU A 114 15.577 11.550 12.259 1.00 0.00 C ATOM 1764 OE1 GLU A 114 15.721 12.639 12.853 1.00 0.00 O ATOM 1765 OE2 GLU A 114 15.052 10.546 12.786 1.00 0.00 O ATOM 0 H GLU A 114 14.716 13.722 7.796 1.00 0.00 H new ATOM 0 HA GLU A 114 15.155 14.161 10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.128 12.042 10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.278 11.731 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.114 10.387 10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.076 11.836 10.759 1.00 0.00 H new TER 1772 GLU A 114