USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1083 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 125 THR OG1 : rot -160:sc= -1.69! USER MOD Set 1.2: A 128 ASN : amide:sc= -0.201 X(o=-1.9,f=-2) USER MOD Set 2.1: A 33 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.58) USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 54 ASN : amide:sc= 0.663 K(o=1.5,f=0.7) USER MOD Set 3.2: A 56 TYR OH : rot -64:sc= 0.835 USER MOD Set 4.1: A 34 SER OG : rot -35:sc= 0.887 USER MOD Set 4.2: A 35 HIS : no HD1:sc= -1.33 X(o=-0.44,f=0.011) USER MOD Set 5.1: A 28 ASN : amide:sc= 0.304 K(o=-0.056,f=-3.8) USER MOD Set 5.2: A 29 LYS NZ :NH3+ -120:sc= -0.36 (180deg=-3.46!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -8.72! C(o=-8.7!,f=-6.5!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -118:sc= -1.69! USER MOD Single : A 16 ASN : amide:sc= -0.0193 X(o=-0.019,f=-0.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0747 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.02) USER MOD Single : A 25 TYR OH : rot 166:sc= -0.305 USER MOD Single : A 26 ASN : amide:sc= -0.516 K(o=-0.52,f=-1.4) USER MOD Single : A 27 GLN : amide:sc= -0.0647 K(o=-0.065,f=-0.96) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -120:sc= -1.05 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 159:sc= 0.948 USER MOD Single : A 46 SER OG : rot 85:sc= -0.979 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 152:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-3.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.966 K(o=-0.97,f=-2.4!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.284 K(o=-0.28,f=-1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -54:sc= 0.448 USER MOD Single : A 92 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-2.5) USER MOD Single : A 93 TYR OH : rot 173:sc= -0.268 USER MOD Single : A 104 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-3.6!) USER MOD Single : A 106 TYR OH : rot 120:sc= -0.337 USER MOD Single : A 107 LYS NZ :NH3+ -129:sc= -0.191 (180deg=-1.47!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 160:sc= -0.158 (180deg=-0.582) USER MOD Single : A 116 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.9!) USER MOD Single : A 124 TYR OH : rot 180:sc= -2.07! USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -122:sc= -2.14! (180deg=-3.64!) USER MOD Single : A 137 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-8.4!) USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.0557 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.931 K(o=-0.93,f=-2.6) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HD1:sc= -2.68 X(o=-2.7,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 3.016 -8.775 -16.060 1.00 0.00 N ATOM 12 CA VAL A 2 3.184 -9.506 -14.792 1.00 0.00 C ATOM 13 C VAL A 2 1.874 -9.421 -13.977 1.00 0.00 C ATOM 14 O VAL A 2 1.572 -8.413 -13.342 1.00 0.00 O ATOM 15 CB VAL A 2 4.395 -8.917 -14.060 1.00 0.00 C ATOM 16 CG1 VAL A 2 4.863 -9.868 -12.987 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.653 -8.740 -14.913 1.00 0.00 C ATOM 0 HA VAL A 2 3.379 -10.566 -14.956 1.00 0.00 H new ATOM 0 HB VAL A 2 4.027 -7.951 -13.713 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.724 -9.441 -12.472 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.058 -10.034 -12.271 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.146 -10.818 -13.441 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.450 -8.317 -14.302 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.968 -9.708 -15.302 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.438 -8.068 -15.744 1.00 0.00 H new ATOM 27 N THR A 3 1.034 -10.434 -14.162 1.00 0.00 N ATOM 28 CA THR A 3 -0.281 -10.497 -13.494 1.00 0.00 C ATOM 29 C THR A 3 -0.132 -10.960 -12.047 1.00 0.00 C ATOM 30 O THR A 3 -0.052 -12.154 -11.765 1.00 0.00 O ATOM 31 CB THR A 3 -1.237 -11.320 -14.370 1.00 0.00 C ATOM 32 OG1 THR A 3 -1.926 -10.396 -15.213 1.00 0.00 O ATOM 33 CG2 THR A 3 -2.253 -12.240 -13.668 1.00 0.00 C ATOM 0 H THR A 3 1.232 -11.229 -14.769 1.00 0.00 H new ATOM 0 HA THR A 3 -0.734 -9.510 -13.401 1.00 0.00 H new ATOM 0 HB THR A 3 -0.605 -12.032 -14.900 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.548 -10.883 -15.793 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.856 -12.754 -14.416 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.721 -12.975 -13.063 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.902 -11.643 -13.027 1.00 0.00 H new ATOM 41 N TRP A 4 -0.005 -9.997 -11.150 1.00 0.00 N ATOM 42 CA TRP A 4 0.112 -10.265 -9.712 1.00 0.00 C ATOM 43 C TRP A 4 -1.270 -10.521 -9.108 1.00 0.00 C ATOM 44 O TRP A 4 -2.079 -9.624 -8.940 1.00 0.00 O ATOM 45 CB TRP A 4 0.786 -9.103 -8.987 1.00 0.00 C ATOM 46 CG TRP A 4 2.250 -8.946 -9.398 1.00 0.00 C ATOM 47 CD1 TRP A 4 2.685 -8.347 -10.509 1.00 0.00 C ATOM 48 CD2 TRP A 4 3.374 -9.348 -8.697 1.00 0.00 C ATOM 49 NE1 TRP A 4 4.011 -8.352 -10.544 1.00 0.00 N ATOM 50 CE2 TRP A 4 4.486 -8.961 -9.465 1.00 0.00 C ATOM 51 CE3 TRP A 4 3.552 -10.046 -7.482 1.00 0.00 C ATOM 52 CZ2 TRP A 4 5.794 -9.299 -9.059 1.00 0.00 C ATOM 53 CZ3 TRP A 4 4.859 -10.383 -7.076 1.00 0.00 C ATOM 54 CH2 TRP A 4 5.972 -10.023 -7.869 1.00 0.00 C ATOM 0 H TRP A 4 0.021 -9.006 -11.390 1.00 0.00 H new ATOM 0 HA TRP A 4 0.731 -11.153 -9.586 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.248 -8.180 -9.202 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.726 -9.263 -7.911 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.049 -7.920 -11.270 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.580 -7.948 -11.288 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.701 -10.317 -6.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.646 -9.005 -9.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 5.011 -10.921 -6.152 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.966 -10.307 -7.558 1.00 0.00 H new ATOM 65 N THR A 5 -1.536 -11.791 -8.859 1.00 0.00 N ATOM 66 CA THR A 5 -2.857 -12.205 -8.397 1.00 0.00 C ATOM 67 C THR A 5 -2.785 -12.579 -6.922 1.00 0.00 C ATOM 68 O THR A 5 -2.034 -13.465 -6.508 1.00 0.00 O ATOM 69 CB THR A 5 -3.368 -13.358 -9.259 1.00 0.00 C ATOM 70 OG1 THR A 5 -2.995 -13.131 -10.624 1.00 0.00 O ATOM 71 CG2 THR A 5 -4.885 -13.335 -9.233 1.00 0.00 C ATOM 0 H THR A 5 -0.864 -12.551 -8.966 1.00 0.00 H new ATOM 0 HA THR A 5 -3.566 -11.383 -8.497 1.00 0.00 H new ATOM 0 HB THR A 5 -2.959 -14.296 -8.884 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.320 -13.870 -11.179 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.272 -14.151 -9.843 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.233 -13.453 -8.207 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.241 -12.385 -9.630 1.00 0.00 H new ATOM 79 N CYS A 6 -3.471 -11.767 -6.133 1.00 0.00 N ATOM 80 CA CYS A 6 -3.489 -11.890 -4.671 1.00 0.00 C ATOM 81 C CYS A 6 -4.766 -12.628 -4.252 1.00 0.00 C ATOM 82 O CYS A 6 -5.847 -12.364 -4.760 1.00 0.00 O ATOM 83 CB CYS A 6 -3.503 -10.494 -4.076 1.00 0.00 C ATOM 84 SG CYS A 6 -2.310 -9.308 -4.809 1.00 0.00 S ATOM 0 H CYS A 6 -4.038 -10.996 -6.485 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.615 -12.440 -4.322 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.507 -10.084 -4.181 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.301 -10.572 -3.008 1.00 0.00 H new ATOM 89 N LEU A 7 -4.605 -13.552 -3.334 1.00 0.00 N ATOM 90 CA LEU A 7 -5.747 -14.361 -2.859 1.00 0.00 C ATOM 91 C LEU A 7 -6.199 -13.883 -1.468 1.00 0.00 C ATOM 92 O LEU A 7 -5.702 -14.320 -0.442 1.00 0.00 O ATOM 93 CB LEU A 7 -5.350 -15.839 -2.847 1.00 0.00 C ATOM 94 CG LEU A 7 -5.294 -16.437 -4.260 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.201 -17.495 -4.321 1.00 0.00 C ATOM 96 CD2 LEU A 7 -6.650 -17.047 -4.636 1.00 0.00 C ATOM 0 H LEU A 7 -3.712 -13.775 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.593 -14.238 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.376 -15.948 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.065 -16.400 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.066 -15.646 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.161 -17.920 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.240 -17.040 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.418 -18.284 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.594 -17.467 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.904 -17.835 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.417 -16.273 -4.608 1.00 0.00 H new ATOM 108 N ASN A 8 -7.047 -12.871 -1.501 1.00 0.00 N ATOM 109 CA ASN A 8 -7.578 -12.232 -0.275 1.00 0.00 C ATOM 110 C ASN A 8 -8.820 -13.004 0.173 1.00 0.00 C ATOM 111 O ASN A 8 -9.586 -13.520 -0.630 1.00 0.00 O ATOM 112 CB ASN A 8 -7.973 -10.774 -0.510 1.00 0.00 C ATOM 113 CG ASN A 8 -6.887 -9.998 -1.262 1.00 0.00 C ATOM 114 OD1 ASN A 8 -6.710 -10.119 -2.461 1.00 0.00 O ATOM 115 ND2 ASN A 8 -6.072 -9.249 -0.559 1.00 0.00 N ATOM 0 H ASN A 8 -7.396 -12.459 -2.366 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.795 -12.251 0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.903 -10.738 -1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.165 -10.292 0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.295 -8.772 -1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.215 -9.144 0.445 1.00 0.00 H new ATOM 122 N ASP A 9 -9.040 -12.972 1.478 1.00 0.00 N ATOM 123 CA ASP A 9 -10.233 -13.631 2.046 1.00 0.00 C ATOM 124 C ASP A 9 -11.385 -12.613 2.139 1.00 0.00 C ATOM 125 O ASP A 9 -11.149 -11.420 2.332 1.00 0.00 O ATOM 126 CB ASP A 9 -9.856 -14.215 3.402 1.00 0.00 C ATOM 127 CG ASP A 9 -10.362 -15.623 3.674 1.00 0.00 C ATOM 128 OD1 ASP A 9 -11.368 -16.019 3.032 1.00 0.00 O ATOM 129 OD2 ASP A 9 -9.821 -16.240 4.609 1.00 0.00 O ATOM 0 H ASP A 9 -8.434 -12.513 2.158 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.579 -14.446 1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.769 -14.216 3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.237 -13.554 4.181 1.00 0.00 H new ATOM 134 N GLN A 10 -12.603 -13.103 2.004 1.00 0.00 N ATOM 135 CA GLN A 10 -13.835 -12.302 2.041 1.00 0.00 C ATOM 136 C GLN A 10 -15.002 -13.055 2.668 1.00 0.00 C ATOM 137 O GLN A 10 -15.290 -14.181 2.288 1.00 0.00 O ATOM 138 CB GLN A 10 -14.228 -11.847 0.641 1.00 0.00 C ATOM 139 CG GLN A 10 -13.446 -10.590 0.268 1.00 0.00 C ATOM 140 CD GLN A 10 -13.839 -10.067 -1.112 1.00 0.00 C ATOM 141 OE1 GLN A 10 -14.936 -10.249 -1.624 1.00 0.00 O ATOM 142 NE2 GLN A 10 -12.907 -9.370 -1.738 1.00 0.00 N ATOM 0 H GLN A 10 -12.779 -14.097 1.861 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.618 -11.435 2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.025 -12.640 -0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.299 -11.646 0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.624 -9.816 1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.378 -10.808 0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.997 -9.226 -1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.097 -8.976 -2.659 1.00 0.00 H new ATOM 151 N LYS A 11 -15.543 -12.463 3.718 1.00 0.00 N ATOM 152 CA LYS A 11 -16.687 -13.053 4.446 1.00 0.00 C ATOM 153 C LYS A 11 -17.977 -12.719 3.705 1.00 0.00 C ATOM 154 O LYS A 11 -18.512 -11.610 3.800 1.00 0.00 O ATOM 155 CB LYS A 11 -16.722 -12.570 5.899 1.00 0.00 C ATOM 156 CG LYS A 11 -17.923 -13.142 6.656 1.00 0.00 C ATOM 157 CD LYS A 11 -18.375 -12.143 7.712 1.00 0.00 C ATOM 158 CE LYS A 11 -18.123 -12.689 9.116 1.00 0.00 C ATOM 159 NZ LYS A 11 -17.509 -11.643 9.940 1.00 0.00 N ATOM 0 H LYS A 11 -15.219 -11.573 4.097 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.576 -14.137 4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.801 -12.863 6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.764 -11.481 5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.738 -13.350 5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.654 -14.088 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.841 -11.202 7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.436 -11.928 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.061 -13.018 9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.470 -13.560 9.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.336 -12.012 10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.607 -11.350 9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.148 -10.824 9.995 1.00 0.00 H new ATOM 173 N ASN A 12 -18.418 -13.692 2.923 1.00 0.00 N ATOM 174 CA ASN A 12 -19.656 -13.544 2.153 1.00 0.00 C ATOM 175 C ASN A 12 -20.850 -13.600 3.101 1.00 0.00 C ATOM 176 O ASN A 12 -20.867 -14.488 3.941 1.00 0.00 O ATOM 177 CB ASN A 12 -19.737 -14.658 1.110 1.00 0.00 C ATOM 178 CG ASN A 12 -20.206 -14.094 -0.229 1.00 0.00 C ATOM 179 OD1 ASN A 12 -19.990 -12.945 -0.577 1.00 0.00 O ATOM 180 ND2 ASN A 12 -20.899 -14.908 -0.991 1.00 0.00 N ATOM 0 H ASN A 12 -17.946 -14.588 2.801 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.666 -12.583 1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.761 -15.128 0.993 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.425 -15.433 1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.264 -14.582 -1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -21.072 -15.866 -0.688 1.00 0.00 H new ATOM 187 N PRO A 13 -21.837 -12.704 2.967 1.00 0.00 N ATOM 188 CA PRO A 13 -23.046 -12.703 3.819 1.00 0.00 C ATOM 189 C PRO A 13 -24.024 -13.824 3.444 1.00 0.00 C ATOM 190 O PRO A 13 -24.751 -14.339 4.285 1.00 0.00 O ATOM 191 CB PRO A 13 -23.648 -11.313 3.636 1.00 0.00 C ATOM 192 CG PRO A 13 -23.156 -10.827 2.275 1.00 0.00 C ATOM 193 CD PRO A 13 -21.853 -11.582 2.018 1.00 0.00 C ATOM 0 HA PRO A 13 -22.808 -12.903 4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.737 -11.350 3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -23.328 -10.640 4.431 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.890 -11.034 1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -22.991 -9.750 2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.807 -11.941 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -20.990 -10.933 2.168 1.00 0.00 H new ATOM 201 N LYS A 14 -23.969 -14.244 2.179 1.00 0.00 N ATOM 202 CA LYS A 14 -24.821 -15.335 1.666 1.00 0.00 C ATOM 203 C LYS A 14 -24.436 -16.641 2.369 1.00 0.00 C ATOM 204 O LYS A 14 -25.275 -17.328 2.956 1.00 0.00 O ATOM 205 CB LYS A 14 -24.669 -15.428 0.130 1.00 0.00 C ATOM 206 CG LYS A 14 -25.522 -16.516 -0.530 1.00 0.00 C ATOM 207 CD LYS A 14 -24.918 -17.924 -0.460 1.00 0.00 C ATOM 208 CE LYS A 14 -24.513 -18.461 -1.825 1.00 0.00 C ATOM 209 NZ LYS A 14 -24.673 -19.915 -1.766 1.00 0.00 N ATOM 0 H LYS A 14 -23.341 -13.846 1.481 1.00 0.00 H new ATOM 0 HA LYS A 14 -25.872 -15.138 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.931 -14.464 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -23.621 -15.612 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -26.503 -16.530 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -25.679 -16.253 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -24.045 -17.908 0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -25.641 -18.603 -0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -25.137 -18.034 -2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -23.482 -18.194 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.407 -20.331 -2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -24.061 -20.302 -1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.665 -20.147 -1.556 1.00 0.00 H new ATOM 223 N THR A 15 -23.175 -17.008 2.211 1.00 0.00 N ATOM 224 CA THR A 15 -22.629 -18.247 2.789 1.00 0.00 C ATOM 225 C THR A 15 -22.275 -18.068 4.265 1.00 0.00 C ATOM 226 O THR A 15 -22.039 -19.051 4.964 1.00 0.00 O ATOM 227 CB THR A 15 -21.393 -18.672 1.984 1.00 0.00 C ATOM 228 OG1 THR A 15 -20.582 -17.514 1.774 1.00 0.00 O ATOM 229 CG2 THR A 15 -21.781 -19.303 0.639 1.00 0.00 C ATOM 0 H THR A 15 -22.494 -16.464 1.681 1.00 0.00 H new ATOM 0 HA THR A 15 -23.390 -19.026 2.733 1.00 0.00 H new ATOM 0 HB THR A 15 -20.843 -19.430 2.543 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.507 -17.337 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.879 -19.591 0.098 1.00 0.00 H new ATOM 0 HG22 THR A 15 -22.396 -20.186 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 15 -22.344 -18.581 0.047 1.00 0.00 H new ATOM 237 N ASN A 16 -22.134 -16.804 4.680 1.00 0.00 N ATOM 238 CA ASN A 16 -21.712 -16.398 6.047 1.00 0.00 C ATOM 239 C ASN A 16 -20.303 -16.920 6.386 1.00 0.00 C ATOM 240 O ASN A 16 -19.869 -16.930 7.538 1.00 0.00 O ATOM 241 CB ASN A 16 -22.773 -16.866 7.030 1.00 0.00 C ATOM 242 CG ASN A 16 -23.182 -15.737 7.976 1.00 0.00 C ATOM 243 OD1 ASN A 16 -23.586 -14.652 7.583 1.00 0.00 O ATOM 244 ND2 ASN A 16 -23.109 -16.038 9.244 1.00 0.00 N ATOM 0 H ASN A 16 -22.312 -16.008 4.068 1.00 0.00 H new ATOM 0 HA ASN A 16 -21.633 -15.313 6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -23.647 -17.222 6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -22.392 -17.709 7.607 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -23.395 -15.357 9.947 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -22.766 -16.955 9.532 1.00 0.00 H new ATOM 251 N LYS A 17 -19.601 -17.343 5.345 1.00 0.00 N ATOM 252 CA LYS A 17 -18.264 -17.931 5.436 1.00 0.00 C ATOM 253 C LYS A 17 -17.268 -17.081 4.634 1.00 0.00 C ATOM 254 O LYS A 17 -17.642 -16.321 3.737 1.00 0.00 O ATOM 255 CB LYS A 17 -18.320 -19.391 4.949 1.00 0.00 C ATOM 256 CG LYS A 17 -16.987 -20.115 5.190 1.00 0.00 C ATOM 257 CD LYS A 17 -16.975 -21.594 4.861 1.00 0.00 C ATOM 258 CE LYS A 17 -16.173 -22.272 5.971 1.00 0.00 C ATOM 259 NZ LYS A 17 -15.815 -23.630 5.554 1.00 0.00 N ATOM 0 H LYS A 17 -19.950 -17.287 4.388 1.00 0.00 H new ATOM 0 HA LYS A 17 -17.918 -17.939 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -19.121 -19.918 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.560 -19.412 3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -16.215 -19.623 4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -16.712 -19.992 6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -17.989 -21.991 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.519 -21.772 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.273 -21.697 6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.759 -22.305 6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.269 -24.092 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.681 -24.176 5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.241 -23.587 4.688 1.00 0.00 H new ATOM 273 N TYR A 18 -16.011 -17.271 4.992 1.00 0.00 N ATOM 274 CA TYR A 18 -14.853 -16.649 4.345 1.00 0.00 C ATOM 275 C TYR A 18 -14.418 -17.420 3.103 1.00 0.00 C ATOM 276 O TYR A 18 -14.329 -18.652 3.104 1.00 0.00 O ATOM 277 CB TYR A 18 -13.710 -16.576 5.348 1.00 0.00 C ATOM 278 CG TYR A 18 -13.496 -15.147 5.827 1.00 0.00 C ATOM 279 CD1 TYR A 18 -12.953 -14.227 4.929 1.00 0.00 C ATOM 280 CD2 TYR A 18 -13.759 -14.792 7.175 1.00 0.00 C ATOM 281 CE1 TYR A 18 -12.619 -12.922 5.352 1.00 0.00 C ATOM 282 CE2 TYR A 18 -13.430 -13.488 7.612 1.00 0.00 C ATOM 283 CZ TYR A 18 -12.863 -12.573 6.690 1.00 0.00 C ATOM 284 OH TYR A 18 -12.505 -11.323 7.072 1.00 0.00 O ATOM 0 H TYR A 18 -15.752 -17.882 5.767 1.00 0.00 H new ATOM 0 HA TYR A 18 -15.132 -15.647 4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -13.927 -17.220 6.200 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.795 -16.951 4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -12.787 -14.516 3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.202 -15.504 7.855 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.187 -12.210 4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.609 -13.193 8.635 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.723 -11.195 8.019 1.00 0.00 H new ATOM 294 N GLU A 19 -14.215 -16.666 2.033 1.00 0.00 N ATOM 295 CA GLU A 19 -13.825 -17.230 0.728 1.00 0.00 C ATOM 296 C GLU A 19 -12.554 -16.534 0.260 1.00 0.00 C ATOM 297 O GLU A 19 -12.361 -15.347 0.484 1.00 0.00 O ATOM 298 CB GLU A 19 -14.922 -17.010 -0.335 1.00 0.00 C ATOM 299 CG GLU A 19 -16.337 -17.065 0.253 1.00 0.00 C ATOM 300 CD GLU A 19 -17.422 -17.142 -0.808 1.00 0.00 C ATOM 301 OE1 GLU A 19 -17.469 -16.236 -1.672 1.00 0.00 O ATOM 302 OE2 GLU A 19 -18.220 -18.094 -0.688 1.00 0.00 O ATOM 0 H GLU A 19 -14.313 -15.651 2.033 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.671 -18.302 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.769 -16.043 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.826 -17.768 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.417 -17.931 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.502 -16.181 0.869 1.00 0.00 H new ATOM 309 N THR A 20 -11.763 -17.274 -0.500 1.00 0.00 N ATOM 310 CA THR A 20 -10.466 -16.769 -0.983 1.00 0.00 C ATOM 311 C THR A 20 -10.588 -16.375 -2.457 1.00 0.00 C ATOM 312 O THR A 20 -10.487 -17.205 -3.366 1.00 0.00 O ATOM 313 CB THR A 20 -9.388 -17.822 -0.724 1.00 0.00 C ATOM 314 OG1 THR A 20 -9.445 -18.157 0.665 1.00 0.00 O ATOM 315 CG2 THR A 20 -7.983 -17.305 -1.042 1.00 0.00 C ATOM 0 H THR A 20 -11.985 -18.223 -0.800 1.00 0.00 H new ATOM 0 HA THR A 20 -10.170 -15.870 -0.442 1.00 0.00 H new ATOM 0 HB THR A 20 -9.576 -18.681 -1.368 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.765 -18.834 0.866 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.253 -18.089 -0.842 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.930 -17.019 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.764 -16.438 -0.418 1.00 0.00 H new ATOM 323 N LYS A 21 -10.958 -15.110 -2.627 1.00 0.00 N ATOM 324 CA LYS A 21 -11.105 -14.513 -3.966 1.00 0.00 C ATOM 325 C LYS A 21 -9.736 -14.336 -4.639 1.00 0.00 C ATOM 326 O LYS A 21 -8.687 -14.518 -4.008 1.00 0.00 O ATOM 327 CB LYS A 21 -11.852 -13.182 -3.870 1.00 0.00 C ATOM 328 CG LYS A 21 -13.256 -13.351 -3.251 1.00 0.00 C ATOM 329 CD LYS A 21 -14.426 -13.005 -4.184 1.00 0.00 C ATOM 330 CE LYS A 21 -14.716 -14.064 -5.255 1.00 0.00 C ATOM 331 NZ LYS A 21 -14.100 -13.696 -6.545 1.00 0.00 N ATOM 0 H LYS A 21 -11.164 -14.471 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.691 -15.190 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.272 -12.483 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.944 -12.745 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.368 -14.384 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.322 -12.723 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.323 -12.858 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.214 -12.056 -4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.333 -15.031 -4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.793 -14.173 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.395 -14.374 -7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.406 -12.740 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.064 -13.715 -6.453 1.00 0.00 H new ATOM 345 N ARG A 22 -9.773 -14.040 -5.933 1.00 0.00 N ATOM 346 CA ARG A 22 -8.552 -13.848 -6.737 1.00 0.00 C ATOM 347 C ARG A 22 -8.444 -12.406 -7.233 1.00 0.00 C ATOM 348 O ARG A 22 -9.076 -11.995 -8.211 1.00 0.00 O ATOM 349 CB ARG A 22 -8.542 -14.808 -7.934 1.00 0.00 C ATOM 350 CG ARG A 22 -7.415 -15.822 -7.745 1.00 0.00 C ATOM 351 CD ARG A 22 -6.653 -16.109 -9.031 1.00 0.00 C ATOM 352 NE ARG A 22 -7.274 -17.128 -9.884 1.00 0.00 N ATOM 353 CZ ARG A 22 -6.959 -17.348 -11.162 1.00 0.00 C ATOM 354 NH1 ARG A 22 -6.107 -16.578 -11.827 1.00 0.00 N ATOM 355 NH2 ARG A 22 -7.540 -18.356 -11.795 1.00 0.00 N ATOM 0 H ARG A 22 -10.639 -13.925 -6.460 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.695 -14.062 -6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.501 -15.320 -8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.398 -14.253 -8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.720 -15.449 -6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.832 -16.753 -7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.560 -15.183 -9.599 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.643 -16.430 -8.777 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.001 -17.712 -9.470 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.667 -15.784 -11.362 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.892 -16.780 -12.804 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.213 -18.946 -11.305 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.314 -18.543 -12.772 1.00 0.00 H new ATOM 369 N LEU A 23 -7.690 -11.623 -6.486 1.00 0.00 N ATOM 370 CA LEU A 23 -7.437 -10.212 -6.809 1.00 0.00 C ATOM 371 C LEU A 23 -6.268 -10.082 -7.781 1.00 0.00 C ATOM 372 O LEU A 23 -5.101 -10.036 -7.408 1.00 0.00 O ATOM 373 CB LEU A 23 -7.174 -9.429 -5.518 1.00 0.00 C ATOM 374 CG LEU A 23 -8.269 -8.381 -5.287 1.00 0.00 C ATOM 375 CD1 LEU A 23 -9.636 -8.995 -5.011 1.00 0.00 C ATOM 376 CD2 LEU A 23 -7.864 -7.508 -4.110 1.00 0.00 C ATOM 0 H LEU A 23 -7.229 -11.939 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.317 -9.793 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.136 -10.115 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.202 -8.940 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.364 -7.798 -6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.367 -8.201 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.939 -9.606 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.582 -9.617 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.633 -6.757 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.749 -8.127 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.918 -7.014 -4.332 1.00 0.00 H new ATOM 388 N LEU A 24 -6.632 -10.099 -9.055 1.00 0.00 N ATOM 389 CA LEU A 24 -5.665 -9.894 -10.146 1.00 0.00 C ATOM 390 C LEU A 24 -5.302 -8.416 -10.269 1.00 0.00 C ATOM 391 O LEU A 24 -6.148 -7.552 -10.505 1.00 0.00 O ATOM 392 CB LEU A 24 -6.172 -10.581 -11.434 1.00 0.00 C ATOM 393 CG LEU A 24 -5.634 -10.092 -12.789 1.00 0.00 C ATOM 394 CD1 LEU A 24 -6.460 -8.933 -13.336 1.00 0.00 C ATOM 395 CD2 LEU A 24 -4.145 -9.737 -12.808 1.00 0.00 C ATOM 0 H LEU A 24 -7.590 -10.252 -9.369 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.716 -10.382 -9.926 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.947 -11.644 -11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.258 -10.486 -11.455 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.738 -10.957 -13.444 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.050 -8.614 -14.294 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.493 -9.254 -13.472 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.429 -8.100 -12.633 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.863 -9.404 -13.807 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.952 -8.939 -12.091 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.558 -10.615 -12.540 1.00 0.00 H new ATOM 407 N TYR A 25 -3.997 -8.190 -10.159 1.00 0.00 N ATOM 408 CA TYR A 25 -3.378 -6.866 -10.287 1.00 0.00 C ATOM 409 C TYR A 25 -2.336 -6.848 -11.400 1.00 0.00 C ATOM 410 O TYR A 25 -1.487 -7.734 -11.527 1.00 0.00 O ATOM 411 CB TYR A 25 -2.707 -6.499 -8.969 1.00 0.00 C ATOM 412 CG TYR A 25 -3.736 -5.983 -7.964 1.00 0.00 C ATOM 413 CD1 TYR A 25 -4.561 -6.871 -7.234 1.00 0.00 C ATOM 414 CD2 TYR A 25 -3.785 -4.587 -7.771 1.00 0.00 C ATOM 415 CE1 TYR A 25 -5.472 -6.343 -6.312 1.00 0.00 C ATOM 416 CE2 TYR A 25 -4.671 -4.082 -6.807 1.00 0.00 C ATOM 417 CZ TYR A 25 -5.515 -4.950 -6.095 1.00 0.00 C ATOM 418 OH TYR A 25 -6.404 -4.420 -5.204 1.00 0.00 O ATOM 0 H TYR A 25 -3.323 -8.933 -9.975 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.157 -6.145 -10.534 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.197 -7.371 -8.560 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.947 -5.737 -9.142 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.489 -7.938 -7.386 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.158 -3.925 -8.349 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.138 -6.998 -5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.704 -3.020 -6.612 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.160 -3.490 -5.012 1.00 0.00 H new ATOM 428 N ASN A 26 -2.408 -5.812 -12.210 1.00 0.00 N ATOM 429 CA ASN A 26 -1.439 -5.637 -13.288 1.00 0.00 C ATOM 430 C ASN A 26 -0.259 -4.805 -12.767 1.00 0.00 C ATOM 431 O ASN A 26 -0.423 -3.640 -12.389 1.00 0.00 O ATOM 432 CB ASN A 26 -2.099 -4.925 -14.479 1.00 0.00 C ATOM 433 CG ASN A 26 -1.443 -5.383 -15.787 1.00 0.00 C ATOM 434 OD1 ASN A 26 -0.907 -4.602 -16.551 1.00 0.00 O ATOM 435 ND2 ASN A 26 -1.449 -6.674 -16.010 1.00 0.00 N ATOM 0 H ASN A 26 -3.117 -5.082 -12.149 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.082 -6.612 -13.621 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.166 -5.145 -14.500 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.999 -3.845 -14.370 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.996 -7.050 -16.843 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.907 -7.303 -15.351 1.00 0.00 H new ATOM 442 N GLN A 27 0.920 -5.413 -12.783 1.00 0.00 N ATOM 443 CA GLN A 27 2.149 -4.718 -12.369 1.00 0.00 C ATOM 444 C GLN A 27 2.382 -3.465 -13.213 1.00 0.00 C ATOM 445 O GLN A 27 2.870 -2.487 -12.683 1.00 0.00 O ATOM 446 CB GLN A 27 3.387 -5.605 -12.486 1.00 0.00 C ATOM 447 CG GLN A 27 4.686 -4.837 -12.268 1.00 0.00 C ATOM 448 CD GLN A 27 5.553 -4.877 -13.518 1.00 0.00 C ATOM 449 OE1 GLN A 27 5.391 -4.130 -14.473 1.00 0.00 O ATOM 450 NE2 GLN A 27 6.482 -5.794 -13.498 1.00 0.00 N ATOM 0 H GLN A 27 1.059 -6.380 -13.075 1.00 0.00 H new ATOM 0 HA GLN A 27 2.002 -4.450 -11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.320 -6.412 -11.756 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.405 -6.068 -13.473 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.463 -3.802 -12.008 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.231 -5.267 -11.428 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.585 -6.398 -12.682 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.105 -5.907 -14.298 1.00 0.00 H new ATOM 459 N ASN A 28 2.009 -3.504 -14.492 1.00 0.00 N ATOM 460 CA ASN A 28 2.125 -2.323 -15.361 1.00 0.00 C ATOM 461 C ASN A 28 1.518 -1.059 -14.728 1.00 0.00 C ATOM 462 O ASN A 28 2.026 0.049 -14.890 1.00 0.00 O ATOM 463 CB ASN A 28 1.426 -2.600 -16.687 1.00 0.00 C ATOM 464 CG ASN A 28 2.210 -1.989 -17.836 1.00 0.00 C ATOM 465 OD1 ASN A 28 2.186 -0.803 -18.125 1.00 0.00 O ATOM 466 ND2 ASN A 28 2.936 -2.849 -18.513 1.00 0.00 N ATOM 0 H ASN A 28 1.627 -4.331 -14.951 1.00 0.00 H new ATOM 0 HA ASN A 28 3.188 -2.137 -15.512 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.328 -3.675 -16.836 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.417 -2.188 -16.667 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.499 -2.532 -19.302 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.937 -3.834 -18.249 1.00 0.00 H new ATOM 473 N LYS A 29 0.563 -1.309 -13.844 1.00 0.00 N ATOM 474 CA LYS A 29 -0.098 -0.284 -13.046 1.00 0.00 C ATOM 475 C LYS A 29 0.590 -0.046 -11.726 1.00 0.00 C ATOM 476 O LYS A 29 0.884 1.097 -11.468 1.00 0.00 O ATOM 477 CB LYS A 29 -1.583 -0.617 -12.899 1.00 0.00 C ATOM 478 CG LYS A 29 -2.378 -0.160 -14.128 1.00 0.00 C ATOM 479 CD LYS A 29 -1.995 -0.742 -15.489 1.00 0.00 C ATOM 480 CE LYS A 29 -1.199 0.294 -16.297 1.00 0.00 C ATOM 481 NZ LYS A 29 -0.827 -0.288 -17.587 1.00 0.00 N ATOM 0 H LYS A 29 0.218 -2.250 -13.657 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.022 0.666 -13.574 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.706 -1.691 -12.762 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.980 -0.135 -12.006 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.429 -0.390 -13.950 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.296 0.925 -14.194 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.400 -1.645 -15.353 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.892 -1.031 -16.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.797 1.193 -16.448 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.306 0.594 -15.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.209 -0.299 -17.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.190 -1.261 -17.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.235 0.282 -18.355 1.00 0.00 H new ATOM 495 N ALA A 30 1.114 -1.079 -11.095 1.00 0.00 N ATOM 496 CA ALA A 30 1.914 -0.973 -9.864 1.00 0.00 C ATOM 497 C ALA A 30 3.274 -0.293 -10.093 1.00 0.00 C ATOM 498 O ALA A 30 3.571 0.714 -9.453 1.00 0.00 O ATOM 499 CB ALA A 30 2.109 -2.370 -9.298 1.00 0.00 C ATOM 0 H ALA A 30 1.000 -2.039 -11.420 1.00 0.00 H new ATOM 0 HA ALA A 30 1.374 -0.341 -9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.700 -2.313 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.138 -2.811 -9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.629 -2.989 -10.029 1.00 0.00 H new ATOM 505 N GLU A 31 4.001 -0.724 -11.120 1.00 0.00 N ATOM 506 CA GLU A 31 5.274 -0.123 -11.565 1.00 0.00 C ATOM 507 C GLU A 31 5.085 1.369 -11.856 1.00 0.00 C ATOM 508 O GLU A 31 5.827 2.181 -11.339 1.00 0.00 O ATOM 509 CB GLU A 31 5.871 -0.854 -12.779 1.00 0.00 C ATOM 510 CG GLU A 31 5.088 -0.686 -14.095 1.00 0.00 C ATOM 511 CD GLU A 31 5.619 0.423 -15.011 1.00 0.00 C ATOM 512 OE1 GLU A 31 5.325 1.621 -14.779 1.00 0.00 O ATOM 513 OE2 GLU A 31 6.333 0.066 -15.954 1.00 0.00 O ATOM 0 H GLU A 31 3.721 -1.524 -11.688 1.00 0.00 H new ATOM 0 HA GLU A 31 5.991 -0.233 -10.751 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.890 -0.498 -12.933 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.937 -1.917 -12.547 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.108 -1.630 -14.639 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.045 -0.477 -13.859 1.00 0.00 H new ATOM 520 N SER A 32 3.922 1.739 -12.386 1.00 0.00 N ATOM 521 CA SER A 32 3.623 3.144 -12.731 1.00 0.00 C ATOM 522 C SER A 32 3.019 3.901 -11.546 1.00 0.00 C ATOM 523 O SER A 32 3.545 4.937 -11.162 1.00 0.00 O ATOM 524 CB SER A 32 2.670 3.223 -13.925 1.00 0.00 C ATOM 525 OG SER A 32 2.232 4.572 -14.085 1.00 0.00 O ATOM 0 H SER A 32 3.163 1.089 -12.590 1.00 0.00 H new ATOM 0 HA SER A 32 4.570 3.614 -12.995 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.172 2.881 -14.830 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.815 2.566 -13.767 1.00 0.00 H new ATOM 0 HG SER A 32 1.622 4.629 -14.850 1.00 0.00 H new ATOM 531 N ASN A 33 2.106 3.255 -10.851 1.00 0.00 N ATOM 532 CA ASN A 33 1.464 3.747 -9.610 1.00 0.00 C ATOM 533 C ASN A 33 2.516 4.131 -8.579 1.00 0.00 C ATOM 534 O ASN A 33 2.390 5.155 -7.914 1.00 0.00 O ATOM 535 CB ASN A 33 0.518 2.724 -8.963 1.00 0.00 C ATOM 536 CG ASN A 33 -0.863 2.673 -9.635 1.00 0.00 C ATOM 537 OD1 ASN A 33 -1.481 3.680 -9.941 1.00 0.00 O ATOM 538 ND2 ASN A 33 -1.405 1.483 -9.799 1.00 0.00 N ATOM 0 H ASN A 33 1.765 2.335 -11.131 1.00 0.00 H new ATOM 0 HA ASN A 33 0.874 4.612 -9.912 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.975 1.735 -9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.394 2.969 -7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.346 1.400 -10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.883 0.645 -9.541 1.00 0.00 H new ATOM 545 N SER A 34 3.597 3.353 -8.578 1.00 0.00 N ATOM 546 CA SER A 34 4.755 3.578 -7.713 1.00 0.00 C ATOM 547 C SER A 34 5.638 4.699 -8.245 1.00 0.00 C ATOM 548 O SER A 34 5.736 5.707 -7.560 1.00 0.00 O ATOM 549 CB SER A 34 5.563 2.302 -7.513 1.00 0.00 C ATOM 550 OG SER A 34 6.271 1.856 -8.672 1.00 0.00 O ATOM 0 H SER A 34 3.695 2.539 -9.185 1.00 0.00 H new ATOM 0 HA SER A 34 4.372 3.885 -6.740 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.278 2.464 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.890 1.509 -7.188 1.00 0.00 H new ATOM 0 HG SER A 34 5.744 2.055 -9.474 1.00 0.00 H new ATOM 556 N HIS A 35 5.945 4.645 -9.549 1.00 0.00 N ATOM 557 CA HIS A 35 6.756 5.668 -10.235 1.00 0.00 C ATOM 558 C HIS A 35 6.051 7.041 -10.302 1.00 0.00 C ATOM 559 O HIS A 35 6.671 8.055 -10.587 1.00 0.00 O ATOM 560 CB HIS A 35 7.121 5.169 -11.654 1.00 0.00 C ATOM 561 CG HIS A 35 8.042 3.928 -11.707 1.00 0.00 C ATOM 562 ND1 HIS A 35 8.448 3.357 -12.831 1.00 0.00 N ATOM 563 CD2 HIS A 35 8.433 3.139 -10.703 1.00 0.00 C ATOM 564 CE1 HIS A 35 9.049 2.206 -12.540 1.00 0.00 C ATOM 565 NE2 HIS A 35 9.025 2.074 -11.221 1.00 0.00 N ATOM 0 H HIS A 35 5.638 3.889 -10.162 1.00 0.00 H new ATOM 0 HA HIS A 35 7.664 5.818 -9.651 1.00 0.00 H new ATOM 0 HB2 HIS A 35 6.199 4.938 -12.187 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.606 5.983 -12.193 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.291 3.336 -9.651 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.476 1.510 -13.246 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.399 1.285 -10.694 1.00 0.00 H new ATOM 574 N HIS A 36 4.757 7.027 -9.963 1.00 0.00 N ATOM 575 CA HIS A 36 3.905 8.217 -9.916 1.00 0.00 C ATOM 576 C HIS A 36 3.879 8.784 -8.498 1.00 0.00 C ATOM 577 O HIS A 36 4.417 9.870 -8.276 1.00 0.00 O ATOM 578 CB HIS A 36 2.494 7.860 -10.408 1.00 0.00 C ATOM 579 CG HIS A 36 2.116 8.704 -11.625 1.00 0.00 C ATOM 580 ND1 HIS A 36 1.256 9.713 -11.617 1.00 0.00 N ATOM 581 CD2 HIS A 36 2.560 8.548 -12.860 1.00 0.00 C ATOM 582 CE1 HIS A 36 1.161 10.186 -12.848 1.00 0.00 C ATOM 583 NE2 HIS A 36 1.965 9.470 -13.616 1.00 0.00 N ATOM 0 H HIS A 36 4.265 6.171 -9.709 1.00 0.00 H new ATOM 0 HA HIS A 36 4.309 8.987 -10.574 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.450 6.802 -10.665 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.772 8.023 -9.608 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.273 7.810 -13.195 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.539 11.009 -13.169 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.106 9.601 -14.618 1.00 0.00 H new ATOM 592 N ALA A 37 3.304 8.020 -7.574 1.00 0.00 N ATOM 593 CA ALA A 37 3.275 8.382 -6.135 1.00 0.00 C ATOM 594 C ALA A 37 4.624 8.933 -5.632 1.00 0.00 C ATOM 595 O ALA A 37 5.682 8.523 -6.125 1.00 0.00 O ATOM 596 CB ALA A 37 2.868 7.147 -5.318 1.00 0.00 C ATOM 0 H ALA A 37 2.844 7.135 -7.786 1.00 0.00 H new ATOM 0 HA ALA A 37 2.546 9.182 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.844 7.403 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.880 6.812 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.591 6.348 -5.482 1.00 0.00 H new ATOM 602 N PRO A 38 4.596 9.935 -4.748 1.00 0.00 N ATOM 603 CA PRO A 38 5.802 10.600 -4.248 1.00 0.00 C ATOM 604 C PRO A 38 6.548 9.632 -3.347 1.00 0.00 C ATOM 605 O PRO A 38 5.975 8.924 -2.536 1.00 0.00 O ATOM 606 CB PRO A 38 5.317 11.840 -3.499 1.00 0.00 C ATOM 607 CG PRO A 38 3.870 11.561 -3.093 1.00 0.00 C ATOM 608 CD PRO A 38 3.409 10.461 -4.054 1.00 0.00 C ATOM 0 HA PRO A 38 6.492 10.897 -5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.936 12.031 -2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.379 12.725 -4.132 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.805 11.235 -2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.252 12.454 -3.186 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.903 9.665 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.693 10.859 -4.773 1.00 0.00 H new ATOM 616 N LEU A 39 7.850 9.608 -3.531 1.00 0.00 N ATOM 617 CA LEU A 39 8.726 8.747 -2.739 1.00 0.00 C ATOM 618 C LEU A 39 8.993 9.328 -1.345 1.00 0.00 C ATOM 619 O LEU A 39 9.942 10.087 -1.126 1.00 0.00 O ATOM 620 CB LEU A 39 10.021 8.606 -3.518 1.00 0.00 C ATOM 621 CG LEU A 39 9.971 7.443 -4.490 1.00 0.00 C ATOM 622 CD1 LEU A 39 11.188 7.565 -5.411 1.00 0.00 C ATOM 623 CD2 LEU A 39 9.915 6.086 -3.765 1.00 0.00 C ATOM 0 H LEU A 39 8.336 10.176 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 39 8.252 7.779 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.218 9.528 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.849 8.464 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 39 9.056 7.483 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.187 6.743 -6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.145 8.513 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.100 7.526 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.880 5.282 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.801 5.970 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.023 6.044 -3.139 1.00 0.00 H new ATOM 635 N SER A 40 8.046 9.065 -0.459 1.00 0.00 N ATOM 636 CA SER A 40 8.105 9.572 0.928 1.00 0.00 C ATOM 637 C SER A 40 7.111 8.786 1.787 1.00 0.00 C ATOM 638 O SER A 40 6.218 8.130 1.253 1.00 0.00 O ATOM 639 CB SER A 40 7.762 11.063 0.984 1.00 0.00 C ATOM 640 OG SER A 40 6.357 11.235 1.201 1.00 0.00 O ATOM 0 H SER A 40 7.220 8.503 -0.664 1.00 0.00 H new ATOM 0 HA SER A 40 9.119 9.442 1.306 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.323 11.544 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.056 11.547 0.053 1.00 0.00 H new ATOM 0 HG SER A 40 5.969 11.736 0.453 1.00 0.00 H new ATOM 646 N ASP A 41 7.330 8.862 3.090 1.00 0.00 N ATOM 647 CA ASP A 41 6.477 8.188 4.088 1.00 0.00 C ATOM 648 C ASP A 41 5.606 9.236 4.775 1.00 0.00 C ATOM 649 O ASP A 41 6.125 10.249 5.221 1.00 0.00 O ATOM 650 CB ASP A 41 7.339 7.473 5.124 1.00 0.00 C ATOM 651 CG ASP A 41 6.522 6.797 6.235 1.00 0.00 C ATOM 652 OD1 ASP A 41 5.343 6.451 5.975 1.00 0.00 O ATOM 653 OD2 ASP A 41 7.087 6.561 7.305 1.00 0.00 O ATOM 0 H ASP A 41 8.102 9.390 3.498 1.00 0.00 H new ATOM 0 HA ASP A 41 5.849 7.448 3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.948 6.721 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.025 8.191 5.573 1.00 0.00 H new ATOM 658 N GLY A 42 4.331 8.885 4.915 1.00 0.00 N ATOM 659 CA GLY A 42 3.317 9.717 5.587 1.00 0.00 C ATOM 660 C GLY A 42 3.522 11.209 5.293 1.00 0.00 C ATOM 661 O GLY A 42 3.831 11.999 6.185 1.00 0.00 O ATOM 0 H GLY A 42 3.960 8.003 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.322 9.415 5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.363 9.548 6.663 1.00 0.00 H new ATOM 665 N LYS A 43 3.579 11.494 3.996 1.00 0.00 N ATOM 666 CA LYS A 43 3.802 12.875 3.528 1.00 0.00 C ATOM 667 C LYS A 43 2.869 13.233 2.377 1.00 0.00 C ATOM 668 O LYS A 43 3.181 13.990 1.450 1.00 0.00 O ATOM 669 CB LYS A 43 5.265 13.058 3.142 1.00 0.00 C ATOM 670 CG LYS A 43 5.817 14.330 3.773 1.00 0.00 C ATOM 671 CD LYS A 43 6.787 15.044 2.827 1.00 0.00 C ATOM 672 CE LYS A 43 6.849 16.510 3.251 1.00 0.00 C ATOM 673 NZ LYS A 43 7.968 17.182 2.589 1.00 0.00 N ATOM 0 H LYS A 43 3.476 10.804 3.252 1.00 0.00 H new ATOM 0 HA LYS A 43 3.570 13.561 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.847 12.197 3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.359 13.110 2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.995 14.999 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.328 14.085 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.776 14.589 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.448 14.958 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.914 17.009 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.963 16.578 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.999 18.178 2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.859 16.714 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.842 17.132 1.558 1.00 0.00 H new ATOM 687 N THR A 44 1.674 12.671 2.486 1.00 0.00 N ATOM 688 CA THR A 44 0.666 12.839 1.438 1.00 0.00 C ATOM 689 C THR A 44 -0.704 12.792 2.092 1.00 0.00 C ATOM 690 O THR A 44 -0.838 12.442 3.266 1.00 0.00 O ATOM 691 CB THR A 44 0.828 11.759 0.373 1.00 0.00 C ATOM 692 OG1 THR A 44 2.170 11.251 0.412 1.00 0.00 O ATOM 693 CG2 THR A 44 0.608 12.308 -1.022 1.00 0.00 C ATOM 0 H THR A 44 1.377 12.101 3.278 1.00 0.00 H new ATOM 0 HA THR A 44 0.786 13.798 0.934 1.00 0.00 H new ATOM 0 HB THR A 44 0.090 10.985 0.584 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.197 10.365 -0.005 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.732 11.508 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.400 12.715 -1.098 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.334 13.097 -1.221 1.00 0.00 H new ATOM 701 N GLY A 45 -1.703 13.127 1.289 1.00 0.00 N ATOM 702 CA GLY A 45 -3.087 13.210 1.749 1.00 0.00 C ATOM 703 C GLY A 45 -3.568 11.938 2.453 1.00 0.00 C ATOM 704 O GLY A 45 -3.660 11.855 3.668 1.00 0.00 O ATOM 0 H GLY A 45 -1.581 13.349 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.186 14.054 2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.735 13.412 0.896 1.00 0.00 H new ATOM 708 N SER A 46 -3.689 10.896 1.648 1.00 0.00 N ATOM 709 CA SER A 46 -4.044 9.566 2.162 1.00 0.00 C ATOM 710 C SER A 46 -3.018 8.975 3.137 1.00 0.00 C ATOM 711 O SER A 46 -3.274 7.923 3.717 1.00 0.00 O ATOM 712 CB SER A 46 -4.256 8.565 1.045 1.00 0.00 C ATOM 713 OG SER A 46 -2.977 8.271 0.486 1.00 0.00 O ATOM 0 H SER A 46 -3.549 10.935 0.638 1.00 0.00 H new ATOM 0 HA SER A 46 -4.973 9.736 2.706 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.726 7.658 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.922 8.973 0.285 1.00 0.00 H new ATOM 0 HG SER A 46 -2.549 7.559 1.006 1.00 0.00 H new ATOM 719 N SER A 47 -1.852 9.633 3.190 1.00 0.00 N ATOM 720 CA SER A 47 -0.664 9.296 4.018 1.00 0.00 C ATOM 721 C SER A 47 0.193 8.246 3.305 1.00 0.00 C ATOM 722 O SER A 47 1.083 7.611 3.860 1.00 0.00 O ATOM 723 CB SER A 47 -1.123 8.824 5.398 1.00 0.00 C ATOM 724 OG SER A 47 -0.142 8.958 6.411 1.00 0.00 O ATOM 0 H SER A 47 -1.693 10.467 2.625 1.00 0.00 H new ATOM 0 HA SER A 47 -0.042 10.181 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.009 9.390 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.421 7.778 5.332 1.00 0.00 H new ATOM 0 HG SER A 47 -0.506 8.639 7.263 1.00 0.00 H new ATOM 730 N TYR A 48 -0.013 8.194 1.992 1.00 0.00 N ATOM 731 CA TYR A 48 0.632 7.232 1.091 1.00 0.00 C ATOM 732 C TYR A 48 1.574 7.918 0.098 1.00 0.00 C ATOM 733 O TYR A 48 1.210 8.943 -0.480 1.00 0.00 O ATOM 734 CB TYR A 48 -0.438 6.413 0.367 1.00 0.00 C ATOM 735 CG TYR A 48 -1.256 5.542 1.330 1.00 0.00 C ATOM 736 CD1 TYR A 48 -0.657 4.769 2.344 1.00 0.00 C ATOM 737 CD2 TYR A 48 -2.651 5.544 1.146 1.00 0.00 C ATOM 738 CE1 TYR A 48 -1.474 3.987 3.181 1.00 0.00 C ATOM 739 CE2 TYR A 48 -3.477 4.780 1.974 1.00 0.00 C ATOM 740 CZ TYR A 48 -2.872 4.002 2.982 1.00 0.00 C ATOM 741 OH TYR A 48 -3.662 3.212 3.753 1.00 0.00 O ATOM 0 H TYR A 48 -0.646 8.832 1.510 1.00 0.00 H new ATOM 0 HA TYR A 48 1.249 6.562 1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.108 7.086 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.038 5.777 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.415 4.777 2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.087 6.141 0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.038 3.384 3.964 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.549 4.785 1.845 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.550 3.618 3.836 1.00 0.00 H new ATOM 751 N PRO A 49 2.665 7.243 -0.258 1.00 0.00 N ATOM 752 CA PRO A 49 2.992 5.899 0.217 1.00 0.00 C ATOM 753 C PRO A 49 3.617 5.908 1.604 1.00 0.00 C ATOM 754 O PRO A 49 4.132 6.919 2.063 1.00 0.00 O ATOM 755 CB PRO A 49 3.852 5.347 -0.906 1.00 0.00 C ATOM 756 CG PRO A 49 4.560 6.549 -1.505 1.00 0.00 C ATOM 757 CD PRO A 49 3.578 7.709 -1.307 1.00 0.00 C ATOM 0 HA PRO A 49 2.129 5.256 0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.569 4.617 -0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.243 4.838 -1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.509 6.742 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.783 6.393 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.095 8.620 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.041 7.936 -2.228 1.00 0.00 H new ATOM 765 N HIS A 50 3.141 4.949 2.371 1.00 0.00 N ATOM 766 CA HIS A 50 3.608 4.840 3.754 1.00 0.00 C ATOM 767 C HIS A 50 4.751 3.824 3.828 1.00 0.00 C ATOM 768 O HIS A 50 4.958 2.992 2.935 1.00 0.00 O ATOM 769 CB HIS A 50 2.446 4.497 4.695 1.00 0.00 C ATOM 770 CG HIS A 50 2.025 3.028 4.648 1.00 0.00 C ATOM 771 ND1 HIS A 50 2.031 2.212 5.685 1.00 0.00 N ATOM 772 CD2 HIS A 50 1.516 2.386 3.606 1.00 0.00 C ATOM 773 CE1 HIS A 50 1.502 1.060 5.306 1.00 0.00 C ATOM 774 NE2 HIS A 50 1.186 1.185 4.027 1.00 0.00 N ATOM 0 H HIS A 50 2.455 4.252 2.082 1.00 0.00 H new ATOM 0 HA HIS A 50 3.998 5.801 4.089 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.731 4.751 5.716 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.588 5.119 4.439 1.00 0.00 H new ATOM 0 HD1 HIS A 50 2.382 2.431 6.617 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.396 2.774 2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.356 0.185 5.922 1.00 0.00 H new ATOM 783 N TRP A 51 5.563 4.001 4.861 1.00 0.00 N ATOM 784 CA TRP A 51 6.694 3.111 5.134 1.00 0.00 C ATOM 785 C TRP A 51 6.142 1.775 5.591 1.00 0.00 C ATOM 786 O TRP A 51 5.340 1.651 6.515 1.00 0.00 O ATOM 787 CB TRP A 51 7.638 3.704 6.173 1.00 0.00 C ATOM 788 CG TRP A 51 8.577 2.679 6.830 1.00 0.00 C ATOM 789 CD1 TRP A 51 9.592 2.047 6.255 1.00 0.00 C ATOM 790 CD2 TRP A 51 8.531 2.279 8.158 1.00 0.00 C ATOM 791 NE1 TRP A 51 10.215 1.278 7.158 1.00 0.00 N ATOM 792 CE2 TRP A 51 9.607 1.397 8.327 1.00 0.00 C ATOM 793 CE3 TRP A 51 7.757 2.706 9.260 1.00 0.00 C ATOM 794 CZ2 TRP A 51 9.947 0.916 9.607 1.00 0.00 C ATOM 795 CZ3 TRP A 51 8.107 2.241 10.551 1.00 0.00 C ATOM 796 CH2 TRP A 51 9.189 1.353 10.714 1.00 0.00 C ATOM 0 H TRP A 51 5.461 4.761 5.534 1.00 0.00 H new ATOM 0 HA TRP A 51 7.283 2.979 4.226 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.240 4.480 5.700 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.047 4.189 6.950 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.873 2.139 5.216 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.030 0.693 6.973 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.918 3.372 9.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.769 0.228 9.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.543 2.568 11.412 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.442 1.001 11.703 1.00 0.00 H new ATOM 807 N PHE A 52 6.653 0.785 4.885 1.00 0.00 N ATOM 808 CA PHE A 52 6.280 -0.589 5.132 1.00 0.00 C ATOM 809 C PHE A 52 7.389 -1.201 5.975 1.00 0.00 C ATOM 810 O PHE A 52 8.373 -1.714 5.459 1.00 0.00 O ATOM 811 CB PHE A 52 6.132 -1.316 3.798 1.00 0.00 C ATOM 812 CG PHE A 52 5.527 -2.700 3.991 1.00 0.00 C ATOM 813 CD1 PHE A 52 4.417 -2.863 4.851 1.00 0.00 C ATOM 814 CD2 PHE A 52 6.064 -3.790 3.285 1.00 0.00 C ATOM 815 CE1 PHE A 52 3.796 -4.112 4.992 1.00 0.00 C ATOM 816 CE2 PHE A 52 5.475 -5.060 3.440 1.00 0.00 C ATOM 817 CZ PHE A 52 4.358 -5.211 4.299 1.00 0.00 C ATOM 0 H PHE A 52 7.331 0.911 4.133 1.00 0.00 H new ATOM 0 HA PHE A 52 5.328 -0.666 5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.501 -0.730 3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.107 -1.406 3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.043 -2.015 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.915 -3.656 2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.918 -4.232 5.609 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.872 -5.912 2.908 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.924 -6.191 4.428 1.00 0.00 H new ATOM 827 N THR A 53 7.143 -1.127 7.283 1.00 0.00 N ATOM 828 CA THR A 53 7.993 -1.743 8.316 1.00 0.00 C ATOM 829 C THR A 53 8.444 -3.131 7.863 1.00 0.00 C ATOM 830 O THR A 53 9.515 -3.545 8.238 1.00 0.00 O ATOM 831 CB THR A 53 7.249 -1.910 9.652 1.00 0.00 C ATOM 832 OG1 THR A 53 6.195 -2.856 9.506 1.00 0.00 O ATOM 833 CG2 THR A 53 6.555 -0.644 10.142 1.00 0.00 C ATOM 0 H THR A 53 6.338 -0.632 7.666 1.00 0.00 H new ATOM 0 HA THR A 53 8.844 -1.078 8.460 1.00 0.00 H new ATOM 0 HB THR A 53 8.023 -2.209 10.359 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.727 -2.959 10.361 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.054 -0.847 11.089 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.294 0.144 10.284 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.820 -0.323 9.404 1.00 0.00 H new ATOM 841 N ASN A 54 7.604 -3.834 7.112 1.00 0.00 N ATOM 842 CA ASN A 54 7.888 -5.181 6.570 1.00 0.00 C ATOM 843 C ASN A 54 8.207 -6.148 7.716 1.00 0.00 C ATOM 844 O ASN A 54 9.051 -7.026 7.626 1.00 0.00 O ATOM 845 CB ASN A 54 9.026 -5.084 5.535 1.00 0.00 C ATOM 846 CG ASN A 54 9.142 -6.366 4.721 1.00 0.00 C ATOM 847 OD1 ASN A 54 10.138 -7.066 4.689 1.00 0.00 O ATOM 848 ND2 ASN A 54 8.034 -6.728 4.103 1.00 0.00 N ATOM 0 H ASN A 54 6.682 -3.485 6.850 1.00 0.00 H new ATOM 0 HA ASN A 54 7.013 -5.579 6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.843 -4.242 4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.969 -4.888 6.045 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.002 -7.607 3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.210 -6.129 4.141 1.00 0.00 H new ATOM 855 N GLY A 55 7.576 -5.855 8.856 1.00 0.00 N ATOM 856 CA GLY A 55 7.776 -6.587 10.104 1.00 0.00 C ATOM 857 C GLY A 55 8.788 -5.875 11.017 1.00 0.00 C ATOM 858 O GLY A 55 8.715 -6.029 12.231 1.00 0.00 O ATOM 0 H GLY A 55 6.904 -5.092 8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.824 -6.689 10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.129 -7.595 9.884 1.00 0.00 H new ATOM 862 N TYR A 56 9.785 -5.220 10.421 1.00 0.00 N ATOM 863 CA TYR A 56 10.790 -4.435 11.183 1.00 0.00 C ATOM 864 C TYR A 56 10.106 -3.434 12.127 1.00 0.00 C ATOM 865 O TYR A 56 8.893 -3.213 12.087 1.00 0.00 O ATOM 866 CB TYR A 56 11.750 -3.719 10.227 1.00 0.00 C ATOM 867 CG TYR A 56 12.278 -4.630 9.111 1.00 0.00 C ATOM 868 CD1 TYR A 56 12.930 -5.851 9.381 1.00 0.00 C ATOM 869 CD2 TYR A 56 12.061 -4.220 7.781 1.00 0.00 C ATOM 870 CE1 TYR A 56 13.378 -6.656 8.309 1.00 0.00 C ATOM 871 CE2 TYR A 56 12.478 -5.012 6.701 1.00 0.00 C ATOM 872 CZ TYR A 56 13.158 -6.207 6.988 1.00 0.00 C ATOM 873 OH TYR A 56 13.581 -6.895 5.919 1.00 0.00 O ATOM 0 H TYR A 56 9.929 -5.210 9.411 1.00 0.00 H new ATOM 0 HA TYR A 56 11.370 -5.126 11.795 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.239 -2.866 9.780 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.592 -3.325 10.795 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.086 -6.169 10.401 1.00 0.00 H new ATOM 0 HD2 TYR A 56 11.565 -3.280 7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.878 -7.595 8.496 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.283 -4.713 5.682 1.00 0.00 H new ATOM 0 HH TYR A 56 14.560 -6.934 5.921 1.00 0.00 H new ATOM 883 N ASP A 57 10.913 -2.863 12.998 1.00 0.00 N ATOM 884 CA ASP A 57 10.474 -1.871 13.991 1.00 0.00 C ATOM 885 C ASP A 57 10.914 -0.470 13.604 1.00 0.00 C ATOM 886 O ASP A 57 10.375 0.518 14.109 1.00 0.00 O ATOM 887 CB ASP A 57 11.026 -2.258 15.377 1.00 0.00 C ATOM 888 CG ASP A 57 9.937 -2.608 16.406 1.00 0.00 C ATOM 889 OD1 ASP A 57 8.821 -2.990 15.991 1.00 0.00 O ATOM 890 OD2 ASP A 57 10.269 -2.517 17.603 1.00 0.00 O ATOM 0 H ASP A 57 11.911 -3.070 13.046 1.00 0.00 H new ATOM 0 HA ASP A 57 9.385 -1.867 14.026 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.695 -3.112 15.266 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.624 -1.433 15.762 1.00 0.00 H new ATOM 895 N GLY A 58 11.916 -0.422 12.732 1.00 0.00 N ATOM 896 CA GLY A 58 12.490 0.849 12.225 1.00 0.00 C ATOM 897 C GLY A 58 13.805 0.617 11.481 1.00 0.00 C ATOM 898 O GLY A 58 14.019 1.145 10.397 1.00 0.00 O ATOM 0 H GLY A 58 12.362 -1.255 12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.775 1.331 11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 58 12.659 1.531 13.059 1.00 0.00 H new ATOM 1029 N THR A 67 8.155 -11.876 10.663 1.00 0.00 N ATOM 1030 CA THR A 67 7.603 -12.430 9.410 1.00 0.00 C ATOM 1031 C THR A 67 7.730 -11.461 8.209 1.00 0.00 C ATOM 1032 O THR A 67 6.739 -11.003 7.625 1.00 0.00 O ATOM 1033 CB THR A 67 6.173 -12.945 9.654 1.00 0.00 C ATOM 1034 OG1 THR A 67 5.814 -13.768 8.538 1.00 0.00 O ATOM 1035 CG2 THR A 67 5.110 -11.867 9.918 1.00 0.00 C ATOM 0 HA THR A 67 8.210 -13.285 9.113 1.00 0.00 H new ATOM 0 HB THR A 67 6.189 -13.507 10.588 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.906 -14.113 8.665 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.142 -12.342 10.076 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.383 -11.296 10.805 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.050 -11.197 9.060 1.00 0.00 H new ATOM 1043 N PRO A 68 8.969 -11.050 7.886 1.00 0.00 N ATOM 1044 CA PRO A 68 9.194 -10.070 6.811 1.00 0.00 C ATOM 1045 C PRO A 68 8.980 -10.746 5.469 1.00 0.00 C ATOM 1046 O PRO A 68 9.703 -11.692 5.138 1.00 0.00 O ATOM 1047 CB PRO A 68 10.622 -9.574 7.001 1.00 0.00 C ATOM 1048 CG PRO A 68 11.346 -10.644 7.828 1.00 0.00 C ATOM 1049 CD PRO A 68 10.251 -11.501 8.467 1.00 0.00 C ATOM 0 HA PRO A 68 8.504 -9.227 6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.114 -9.428 6.039 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.634 -8.612 7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.996 -11.250 7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.977 -10.187 8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.418 -12.559 8.263 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.249 -11.382 9.550 1.00 0.00 H new ATOM 1057 N ILE A 69 7.892 -10.361 4.799 1.00 0.00 N ATOM 1058 CA ILE A 69 7.553 -10.897 3.461 1.00 0.00 C ATOM 1059 C ILE A 69 8.837 -11.056 2.640 1.00 0.00 C ATOM 1060 O ILE A 69 9.525 -10.085 2.342 1.00 0.00 O ATOM 1061 CB ILE A 69 6.503 -10.026 2.730 1.00 0.00 C ATOM 1062 CG1 ILE A 69 5.128 -10.267 3.359 1.00 0.00 C ATOM 1063 CG2 ILE A 69 6.492 -10.278 1.207 1.00 0.00 C ATOM 1064 CD1 ILE A 69 4.022 -9.447 2.704 1.00 0.00 C ATOM 0 H ILE A 69 7.223 -9.678 5.155 1.00 0.00 H new ATOM 0 HA ILE A 69 7.090 -11.876 3.586 1.00 0.00 H new ATOM 0 HB ILE A 69 6.772 -8.977 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.881 -11.326 3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.173 -10.024 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.739 -9.644 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.472 -10.044 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.257 -11.324 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.072 -9.661 3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.249 -8.385 2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.953 -9.707 1.648 1.00 0.00 H new ATOM 1076 N LYS A 70 9.128 -12.311 2.344 1.00 0.00 N ATOM 1077 CA LYS A 70 10.331 -12.644 1.574 1.00 0.00 C ATOM 1078 C LYS A 70 9.999 -12.515 0.085 1.00 0.00 C ATOM 1079 O LYS A 70 9.176 -13.245 -0.450 1.00 0.00 O ATOM 1080 CB LYS A 70 10.819 -14.054 1.914 1.00 0.00 C ATOM 1081 CG LYS A 70 12.151 -14.314 1.210 1.00 0.00 C ATOM 1082 CD LYS A 70 12.412 -15.809 1.004 1.00 0.00 C ATOM 1083 CE LYS A 70 13.166 -16.427 2.179 1.00 0.00 C ATOM 1084 NZ LYS A 70 12.376 -17.502 2.786 1.00 0.00 N ATOM 0 H LYS A 70 8.560 -13.113 2.618 1.00 0.00 H new ATOM 0 HA LYS A 70 11.139 -11.958 1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.938 -14.159 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.080 -14.792 1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.154 -13.809 0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.961 -13.883 1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.463 -16.327 0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.986 -15.954 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.124 -16.819 1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.382 -15.661 2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.903 -17.912 3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.472 -17.118 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.192 -18.240 2.077 1.00 0.00 H new ATOM 1098 N PHE A 71 10.629 -11.524 -0.510 1.00 0.00 N ATOM 1099 CA PHE A 71 10.482 -11.224 -1.954 1.00 0.00 C ATOM 1100 C PHE A 71 11.463 -12.018 -2.818 1.00 0.00 C ATOM 1101 O PHE A 71 11.309 -12.129 -4.031 1.00 0.00 O ATOM 1102 CB PHE A 71 10.673 -9.726 -2.185 1.00 0.00 C ATOM 1103 CG PHE A 71 9.655 -8.880 -1.417 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.395 -8.621 -1.999 1.00 0.00 C ATOM 1105 CD2 PHE A 71 9.990 -8.361 -0.147 1.00 0.00 C ATOM 1106 CE1 PHE A 71 7.458 -7.825 -1.307 1.00 0.00 C ATOM 1107 CE2 PHE A 71 9.047 -7.576 0.549 1.00 0.00 C ATOM 1108 CZ PHE A 71 7.793 -7.323 -0.040 1.00 0.00 C ATOM 0 H PHE A 71 11.263 -10.892 -0.022 1.00 0.00 H new ATOM 0 HA PHE A 71 9.478 -11.524 -2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.680 -9.440 -1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.588 -9.512 -3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.150 -9.030 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.958 -8.563 0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.496 -7.605 -1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.284 -7.173 1.523 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.070 -6.727 0.497 1.00 0.00 H new ATOM 1118 N GLY A 72 12.522 -12.487 -2.163 1.00 0.00 N ATOM 1119 CA GLY A 72 13.639 -13.212 -2.789 1.00 0.00 C ATOM 1120 C GLY A 72 14.691 -12.250 -3.351 1.00 0.00 C ATOM 1121 O GLY A 72 15.442 -12.583 -4.267 1.00 0.00 O ATOM 0 H GLY A 72 12.636 -12.374 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.103 -13.871 -2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.259 -13.845 -3.591 1.00 0.00 H new ATOM 1125 N LYS A 73 14.762 -11.082 -2.735 1.00 0.00 N ATOM 1126 CA LYS A 73 15.769 -10.068 -3.078 1.00 0.00 C ATOM 1127 C LYS A 73 16.836 -10.006 -1.972 1.00 0.00 C ATOM 1128 O LYS A 73 16.914 -10.868 -1.102 1.00 0.00 O ATOM 1129 CB LYS A 73 15.053 -8.735 -3.327 1.00 0.00 C ATOM 1130 CG LYS A 73 15.098 -8.332 -4.804 1.00 0.00 C ATOM 1131 CD LYS A 73 16.278 -7.396 -5.117 1.00 0.00 C ATOM 1132 CE LYS A 73 17.336 -8.057 -6.014 1.00 0.00 C ATOM 1133 NZ LYS A 73 18.479 -8.538 -5.224 1.00 0.00 N ATOM 0 H LYS A 73 14.130 -10.802 -1.985 1.00 0.00 H new ATOM 0 HA LYS A 73 16.301 -10.323 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.015 -8.814 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.517 -7.955 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.174 -9.228 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.164 -7.838 -5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.904 -6.497 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.744 -7.081 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.888 -8.891 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.682 -7.342 -6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.177 -8.979 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.919 -7.737 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.150 -9.238 -4.529 1.00 0.00 H new ATOM 1147 N SER A 74 17.636 -8.948 -2.038 1.00 0.00 N ATOM 1148 CA SER A 74 18.729 -8.728 -1.082 1.00 0.00 C ATOM 1149 C SER A 74 18.607 -7.385 -0.361 1.00 0.00 C ATOM 1150 O SER A 74 18.614 -7.335 0.857 1.00 0.00 O ATOM 1151 CB SER A 74 20.066 -8.799 -1.821 1.00 0.00 C ATOM 1152 OG SER A 74 21.033 -9.411 -0.961 1.00 0.00 O ATOM 0 H SER A 74 17.551 -8.220 -2.748 1.00 0.00 H new ATOM 0 HA SER A 74 18.671 -9.509 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.960 -9.375 -2.740 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.393 -7.799 -2.107 1.00 0.00 H new ATOM 0 HG SER A 74 21.895 -9.464 -1.424 1.00 0.00 H new ATOM 1158 N ASP A 75 18.199 -6.379 -1.138 1.00 0.00 N ATOM 1159 CA ASP A 75 17.885 -5.027 -0.626 1.00 0.00 C ATOM 1160 C ASP A 75 16.445 -4.929 -0.099 1.00 0.00 C ATOM 1161 O ASP A 75 16.112 -4.095 0.727 1.00 0.00 O ATOM 1162 CB ASP A 75 18.118 -3.950 -1.684 1.00 0.00 C ATOM 1163 CG ASP A 75 19.589 -3.608 -1.915 1.00 0.00 C ATOM 1164 OD1 ASP A 75 20.420 -4.544 -1.933 1.00 0.00 O ATOM 1165 OD2 ASP A 75 19.831 -2.401 -2.162 1.00 0.00 O ATOM 0 H ASP A 75 18.074 -6.472 -2.146 1.00 0.00 H new ATOM 0 HA ASP A 75 18.569 -4.854 0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.681 -4.281 -2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.588 -3.045 -1.388 1.00 0.00 H new ATOM 1170 N CYS A 76 15.564 -5.715 -0.685 1.00 0.00 N ATOM 1171 CA CYS A 76 14.175 -5.779 -0.193 1.00 0.00 C ATOM 1172 C CYS A 76 14.081 -6.442 1.182 1.00 0.00 C ATOM 1173 O CYS A 76 13.247 -6.076 1.995 1.00 0.00 O ATOM 1174 CB CYS A 76 13.232 -6.496 -1.153 1.00 0.00 C ATOM 1175 SG CYS A 76 12.476 -5.401 -2.401 1.00 0.00 S ATOM 0 H CYS A 76 15.765 -6.312 -1.487 1.00 0.00 H new ATOM 0 HA CYS A 76 13.858 -4.739 -0.115 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.781 -7.287 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 76 12.440 -6.977 -0.578 1.00 0.00 H new ATOM 1180 N ASP A 77 14.942 -7.448 1.382 1.00 0.00 N ATOM 1181 CA ASP A 77 15.045 -8.149 2.678 1.00 0.00 C ATOM 1182 C ASP A 77 15.957 -7.391 3.654 1.00 0.00 C ATOM 1183 O ASP A 77 15.932 -7.668 4.843 1.00 0.00 O ATOM 1184 CB ASP A 77 15.604 -9.561 2.454 1.00 0.00 C ATOM 1185 CG ASP A 77 15.481 -10.431 3.716 1.00 0.00 C ATOM 1186 OD1 ASP A 77 16.372 -10.330 4.581 1.00 0.00 O ATOM 1187 OD2 ASP A 77 14.537 -11.248 3.730 1.00 0.00 O ATOM 0 H ASP A 77 15.579 -7.798 0.666 1.00 0.00 H new ATOM 0 HA ASP A 77 14.047 -8.203 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.070 -10.037 1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.651 -9.495 2.159 1.00 0.00 H new ATOM 1192 N ARG A 78 16.898 -6.633 3.109 1.00 0.00 N ATOM 1193 CA ARG A 78 17.860 -5.854 3.902 1.00 0.00 C ATOM 1194 C ARG A 78 17.118 -5.001 4.958 1.00 0.00 C ATOM 1195 O ARG A 78 15.953 -4.661 4.742 1.00 0.00 O ATOM 1196 CB ARG A 78 18.754 -4.993 2.983 1.00 0.00 C ATOM 1197 CG ARG A 78 18.169 -3.626 2.611 1.00 0.00 C ATOM 1198 CD ARG A 78 18.685 -2.444 3.403 1.00 0.00 C ATOM 1199 NE ARG A 78 20.005 -2.076 2.886 1.00 0.00 N ATOM 1200 CZ ARG A 78 20.967 -1.504 3.588 1.00 0.00 C ATOM 1201 NH1 ARG A 78 20.833 -1.250 4.884 1.00 0.00 N ATOM 1202 NH2 ARG A 78 22.087 -1.156 2.974 1.00 0.00 N ATOM 0 H ARG A 78 17.023 -6.535 2.101 1.00 0.00 H new ATOM 0 HA ARG A 78 18.517 -6.539 4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 78 19.714 -4.839 3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 78 18.951 -5.549 2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 78 18.367 -3.444 1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 78 17.086 -3.672 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 78 17.997 -1.603 3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 78 18.750 -2.697 4.461 1.00 0.00 H new ATOM 0 HE ARG A 78 20.197 -2.278 1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 78 19.969 -1.498 5.366 1.00 0.00 H new ATOM 0 HH12 ARG A 78 21.594 -0.807 5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 78 22.196 -1.331 1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.841 -0.713 3.500 1.00 0.00 H new ATOM 1216 N PRO A 79 17.831 -4.545 5.992 1.00 0.00 N ATOM 1217 CA PRO A 79 17.249 -3.650 7.010 1.00 0.00 C ATOM 1218 C PRO A 79 17.070 -2.216 6.474 1.00 0.00 C ATOM 1219 O PRO A 79 18.039 -1.515 6.199 1.00 0.00 O ATOM 1220 CB PRO A 79 18.215 -3.730 8.201 1.00 0.00 C ATOM 1221 CG PRO A 79 19.567 -4.117 7.596 1.00 0.00 C ATOM 1222 CD PRO A 79 19.220 -4.929 6.351 1.00 0.00 C ATOM 0 HA PRO A 79 16.243 -3.951 7.301 1.00 0.00 H new ATOM 0 HB2 PRO A 79 18.276 -2.775 8.723 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.883 -4.471 8.929 1.00 0.00 H new ATOM 0 HG2 PRO A 79 20.154 -3.234 7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 79 20.161 -4.703 8.297 1.00 0.00 H new ATOM 0 HD2 PRO A 79 19.910 -4.709 5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 79 19.291 -5.998 6.549 1.00 0.00 H new ATOM 1230 N PRO A 80 15.815 -1.794 6.297 1.00 0.00 N ATOM 1231 CA PRO A 80 15.467 -0.464 5.800 1.00 0.00 C ATOM 1232 C PRO A 80 15.716 0.572 6.886 1.00 0.00 C ATOM 1233 O PRO A 80 15.564 0.337 8.086 1.00 0.00 O ATOM 1234 CB PRO A 80 13.992 -0.567 5.429 1.00 0.00 C ATOM 1235 CG PRO A 80 13.408 -1.626 6.334 1.00 0.00 C ATOM 1236 CD PRO A 80 14.601 -2.514 6.677 1.00 0.00 C ATOM 0 HA PRO A 80 16.065 -0.151 4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.487 0.388 5.570 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.871 -0.840 4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.966 -1.188 7.229 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.621 -2.190 5.833 1.00 0.00 H new ATOM 0 HD2 PRO A 80 14.611 -2.746 7.742 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.537 -3.463 6.145 1.00 0.00 H new ATOM 1244 N LYS A 81 16.146 1.727 6.402 1.00 0.00 N ATOM 1245 CA LYS A 81 16.489 2.834 7.299 1.00 0.00 C ATOM 1246 C LYS A 81 15.364 3.880 7.262 1.00 0.00 C ATOM 1247 O LYS A 81 15.331 4.789 6.424 1.00 0.00 O ATOM 1248 CB LYS A 81 17.831 3.439 6.896 1.00 0.00 C ATOM 1249 CG LYS A 81 18.703 3.710 8.124 1.00 0.00 C ATOM 1250 CD LYS A 81 19.863 2.718 8.176 1.00 0.00 C ATOM 1251 CE LYS A 81 20.595 2.794 9.518 1.00 0.00 C ATOM 1252 NZ LYS A 81 21.070 1.453 9.881 1.00 0.00 N ATOM 0 H LYS A 81 16.267 1.927 5.409 1.00 0.00 H new ATOM 0 HA LYS A 81 16.588 2.469 8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 81 18.351 2.761 6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.666 4.368 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 81 19.088 4.729 8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 81 18.103 3.627 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 81 19.488 1.707 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 81 20.561 2.927 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 81 21.435 3.485 9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 81 19.928 3.178 10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 21.569 1.496 10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 20.259 0.807 9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 21.719 1.104 9.147 1.00 0.00 H new ATOM 1266 N HIS A 82 14.354 3.599 8.076 1.00 0.00 N ATOM 1267 CA HIS A 82 13.220 4.518 8.225 1.00 0.00 C ATOM 1268 C HIS A 82 13.589 5.684 9.157 1.00 0.00 C ATOM 1269 O HIS A 82 14.341 5.523 10.116 1.00 0.00 O ATOM 1270 CB HIS A 82 11.984 3.770 8.721 1.00 0.00 C ATOM 1271 CG HIS A 82 10.847 4.696 9.151 1.00 0.00 C ATOM 1272 ND1 HIS A 82 10.620 5.064 10.407 1.00 0.00 N ATOM 1273 CD2 HIS A 82 9.890 5.232 8.398 1.00 0.00 C ATOM 1274 CE1 HIS A 82 9.497 5.765 10.454 1.00 0.00 C ATOM 1275 NE2 HIS A 82 9.042 5.860 9.206 1.00 0.00 N ATOM 0 H HIS A 82 14.292 2.752 8.641 1.00 0.00 H new ATOM 0 HA HIS A 82 12.980 4.939 7.249 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.626 3.110 7.931 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.265 3.137 9.562 1.00 0.00 H new ATOM 0 HD2 HIS A 82 9.816 5.168 7.322 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.037 6.181 11.338 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.186 6.335 8.919 1.00 0.00 H new ATOM 1284 N SER A 83 13.016 6.824 8.837 1.00 0.00 N ATOM 1285 CA SER A 83 13.221 8.054 9.630 1.00 0.00 C ATOM 1286 C SER A 83 11.884 8.634 10.092 1.00 0.00 C ATOM 1287 O SER A 83 10.850 8.158 9.643 1.00 0.00 O ATOM 1288 CB SER A 83 13.993 9.072 8.784 1.00 0.00 C ATOM 1289 OG SER A 83 15.292 9.190 9.356 1.00 0.00 O ATOM 0 H SER A 83 12.399 6.942 8.033 1.00 0.00 H new ATOM 0 HA SER A 83 13.799 7.814 10.522 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.057 8.742 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.484 10.036 8.781 1.00 0.00 H new ATOM 0 HG SER A 83 15.820 9.834 8.839 1.00 0.00 H new ATOM 1295 N LYS A 84 11.910 9.816 10.704 1.00 0.00 N ATOM 1296 CA LYS A 84 10.693 10.503 11.195 1.00 0.00 C ATOM 1297 C LYS A 84 9.522 10.472 10.194 1.00 0.00 C ATOM 1298 O LYS A 84 8.678 9.576 10.239 1.00 0.00 O ATOM 1299 CB LYS A 84 11.039 11.958 11.560 1.00 0.00 C ATOM 1300 CG LYS A 84 10.722 12.218 13.025 1.00 0.00 C ATOM 1301 CD LYS A 84 11.994 12.114 13.867 1.00 0.00 C ATOM 1302 CE LYS A 84 11.670 11.885 15.342 1.00 0.00 C ATOM 1303 NZ LYS A 84 11.845 10.461 15.656 1.00 0.00 N ATOM 0 H LYS A 84 12.771 10.334 10.879 1.00 0.00 H new ATOM 0 HA LYS A 84 10.354 9.957 12.076 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.095 12.148 11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.473 12.644 10.930 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.282 13.209 13.139 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.984 11.498 13.378 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.611 11.295 13.497 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.579 13.027 13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.323 12.492 15.969 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.647 12.194 15.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.626 10.297 16.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.204 9.894 15.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.829 10.182 15.466 1.00 0.00 H new ATOM 1317 N ASP A 85 9.646 11.281 9.150 1.00 0.00 N ATOM 1318 CA ASP A 85 8.692 11.290 8.016 1.00 0.00 C ATOM 1319 C ASP A 85 9.152 10.393 6.860 1.00 0.00 C ATOM 1320 O ASP A 85 8.871 10.673 5.700 1.00 0.00 O ATOM 1321 CB ASP A 85 8.427 12.729 7.544 1.00 0.00 C ATOM 1322 CG ASP A 85 9.675 13.611 7.454 1.00 0.00 C ATOM 1323 OD1 ASP A 85 10.734 13.115 7.006 1.00 0.00 O ATOM 1324 OD2 ASP A 85 9.612 14.714 8.041 1.00 0.00 O ATOM 0 H ASP A 85 10.406 11.954 9.052 1.00 0.00 H new ATOM 0 HA ASP A 85 7.753 10.870 8.376 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.952 12.694 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.717 13.196 8.226 1.00 0.00 H new ATOM 1329 N GLY A 86 9.984 9.392 7.207 1.00 0.00 N ATOM 1330 CA GLY A 86 10.602 8.467 6.249 1.00 0.00 C ATOM 1331 C GLY A 86 11.058 9.186 4.969 1.00 0.00 C ATOM 1332 O GLY A 86 10.403 9.151 3.934 1.00 0.00 O ATOM 0 H GLY A 86 10.247 9.204 8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.458 7.979 6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.890 7.683 5.991 1.00 0.00 H new ATOM 1336 N ASN A 87 12.092 9.994 5.173 1.00 0.00 N ATOM 1337 CA ASN A 87 12.705 10.800 4.101 1.00 0.00 C ATOM 1338 C ASN A 87 14.207 10.973 4.338 1.00 0.00 C ATOM 1339 O ASN A 87 15.032 10.647 3.481 1.00 0.00 O ATOM 1340 CB ASN A 87 12.020 12.154 3.972 1.00 0.00 C ATOM 1341 CG ASN A 87 12.773 13.122 3.058 1.00 0.00 C ATOM 1342 OD1 ASN A 87 13.602 12.777 2.222 1.00 0.00 O ATOM 1343 ND2 ASN A 87 12.569 14.390 3.292 1.00 0.00 N ATOM 0 H ASN A 87 12.536 10.115 6.083 1.00 0.00 H new ATOM 0 HA ASN A 87 12.568 10.263 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.011 12.009 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.921 12.600 4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.099 15.095 2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.880 14.676 3.987 1.00 0.00 H new ATOM 1350 N GLY A 88 14.524 11.363 5.576 1.00 0.00 N ATOM 1351 CA GLY A 88 15.905 11.639 6.015 1.00 0.00 C ATOM 1352 C GLY A 88 16.646 12.448 4.958 1.00 0.00 C ATOM 1353 O GLY A 88 16.064 13.266 4.242 1.00 0.00 O ATOM 0 H GLY A 88 13.829 11.498 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.891 12.186 6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.429 10.701 6.198 1.00 0.00 H new ATOM 1357 N LYS A 89 17.910 12.082 4.788 1.00 0.00 N ATOM 1358 CA LYS A 89 18.760 12.701 3.755 1.00 0.00 C ATOM 1359 C LYS A 89 18.931 11.817 2.523 1.00 0.00 C ATOM 1360 O LYS A 89 19.160 12.294 1.416 1.00 0.00 O ATOM 1361 CB LYS A 89 20.118 13.110 4.346 1.00 0.00 C ATOM 1362 CG LYS A 89 20.848 12.034 5.166 1.00 0.00 C ATOM 1363 CD LYS A 89 20.469 12.070 6.647 1.00 0.00 C ATOM 1364 CE LYS A 89 21.756 12.064 7.479 1.00 0.00 C ATOM 1365 NZ LYS A 89 21.442 11.777 8.886 1.00 0.00 N ATOM 0 H LYS A 89 18.376 11.365 5.344 1.00 0.00 H new ATOM 0 HA LYS A 89 18.246 13.600 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.769 13.420 3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 89 19.967 13.983 4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 89 20.615 11.050 4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 89 21.924 12.173 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.881 12.961 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.850 11.209 6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 89 22.446 11.315 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.256 13.029 7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.320 11.775 9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.800 12.507 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.984 10.846 8.957 1.00 0.00 H new ATOM 1379 N THR A 90 18.809 10.516 2.767 1.00 0.00 N ATOM 1380 CA THR A 90 18.953 9.462 1.743 1.00 0.00 C ATOM 1381 C THR A 90 18.187 8.201 2.151 1.00 0.00 C ATOM 1382 O THR A 90 18.713 7.082 2.103 1.00 0.00 O ATOM 1383 CB THR A 90 20.453 9.185 1.478 1.00 0.00 C ATOM 1384 OG1 THR A 90 20.553 8.210 0.439 1.00 0.00 O ATOM 1385 CG2 THR A 90 21.243 8.777 2.739 1.00 0.00 C ATOM 0 H THR A 90 18.604 10.148 3.696 1.00 0.00 H new ATOM 0 HA THR A 90 18.513 9.805 0.807 1.00 0.00 H new ATOM 0 HB THR A 90 20.922 10.117 1.161 1.00 0.00 H new ATOM 0 HG1 THR A 90 20.027 7.419 0.681 1.00 0.00 H new ATOM 0 HG21 THR A 90 22.285 8.600 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.187 9.577 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 90 20.815 7.866 3.158 1.00 0.00 H new ATOM 1393 N ASP A 91 17.003 8.396 2.722 1.00 0.00 N ATOM 1394 CA ASP A 91 16.139 7.248 3.103 1.00 0.00 C ATOM 1395 C ASP A 91 16.165 6.160 2.019 1.00 0.00 C ATOM 1396 O ASP A 91 16.435 6.409 0.847 1.00 0.00 O ATOM 1397 CB ASP A 91 14.690 7.650 3.319 1.00 0.00 C ATOM 1398 CG ASP A 91 14.366 7.857 4.792 1.00 0.00 C ATOM 1399 OD1 ASP A 91 15.131 8.559 5.477 1.00 0.00 O ATOM 1400 OD2 ASP A 91 13.328 7.353 5.233 1.00 0.00 O ATOM 0 H ASP A 91 16.612 9.314 2.934 1.00 0.00 H new ATOM 0 HA ASP A 91 16.546 6.872 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.484 8.569 2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.036 6.880 2.909 1.00 0.00 H new ATOM 1405 N HIS A 92 15.986 4.946 2.491 1.00 0.00 N ATOM 1406 CA HIS A 92 16.018 3.771 1.586 1.00 0.00 C ATOM 1407 C HIS A 92 15.253 2.595 2.193 1.00 0.00 C ATOM 1408 O HIS A 92 15.679 1.443 2.247 1.00 0.00 O ATOM 1409 CB HIS A 92 17.462 3.447 1.168 1.00 0.00 C ATOM 1410 CG HIS A 92 18.311 2.830 2.282 1.00 0.00 C ATOM 1411 ND1 HIS A 92 18.465 1.530 2.467 1.00 0.00 N ATOM 1412 CD2 HIS A 92 18.957 3.464 3.259 1.00 0.00 C ATOM 1413 CE1 HIS A 92 19.191 1.341 3.557 1.00 0.00 C ATOM 1414 NE2 HIS A 92 19.498 2.537 4.037 1.00 0.00 N ATOM 0 H HIS A 92 15.819 4.727 3.473 1.00 0.00 H new ATOM 0 HA HIS A 92 15.493 4.008 0.660 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.439 2.761 0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 92 17.943 4.362 0.823 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.027 4.533 3.392 1.00 0.00 H new ATOM 0 HE1 HIS A 92 19.480 0.389 3.977 1.00 0.00 H new ATOM 0 HE2 HIS A 92 20.059 2.716 4.870 1.00 0.00 H new ATOM 1423 N TYR A 93 14.051 2.938 2.616 1.00 0.00 N ATOM 1424 CA TYR A 93 13.165 1.955 3.233 1.00 0.00 C ATOM 1425 C TYR A 93 12.216 1.320 2.212 1.00 0.00 C ATOM 1426 O TYR A 93 11.933 1.914 1.172 1.00 0.00 O ATOM 1427 CB TYR A 93 12.424 2.605 4.406 1.00 0.00 C ATOM 1428 CG TYR A 93 11.506 3.737 3.963 1.00 0.00 C ATOM 1429 CD1 TYR A 93 10.281 3.452 3.333 1.00 0.00 C ATOM 1430 CD2 TYR A 93 11.940 5.056 4.173 1.00 0.00 C ATOM 1431 CE1 TYR A 93 9.467 4.506 2.906 1.00 0.00 C ATOM 1432 CE2 TYR A 93 11.142 6.118 3.722 1.00 0.00 C ATOM 1433 CZ TYR A 93 9.918 5.826 3.099 1.00 0.00 C ATOM 1434 OH TYR A 93 9.168 6.830 2.614 1.00 0.00 O ATOM 0 H TYR A 93 13.664 3.879 2.547 1.00 0.00 H new ATOM 0 HA TYR A 93 13.763 1.132 3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 93 11.836 1.847 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 93 13.151 2.990 5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 93 9.972 2.428 3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 93 12.876 5.250 4.675 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.513 4.312 2.438 1.00 0.00 H new ATOM 0 HE2 TYR A 93 11.463 7.141 3.852 1.00 0.00 H new ATOM 0 HH TYR A 93 9.534 7.687 2.916 1.00 0.00 H new ATOM 1444 N LEU A 94 11.678 0.165 2.583 1.00 0.00 N ATOM 1445 CA LEU A 94 10.664 -0.498 1.770 1.00 0.00 C ATOM 1446 C LEU A 94 9.305 0.168 1.959 1.00 0.00 C ATOM 1447 O LEU A 94 8.729 0.126 3.044 1.00 0.00 O ATOM 1448 CB LEU A 94 10.547 -1.996 2.067 1.00 0.00 C ATOM 1449 CG LEU A 94 11.168 -2.867 0.966 1.00 0.00 C ATOM 1450 CD1 LEU A 94 10.756 -4.316 1.181 1.00 0.00 C ATOM 1451 CD2 LEU A 94 10.623 -2.515 -0.412 1.00 0.00 C ATOM 0 H LEU A 94 11.925 -0.332 3.439 1.00 0.00 H new ATOM 0 HA LEU A 94 10.987 -0.395 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.036 -2.214 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.495 -2.259 2.183 1.00 0.00 H new ATOM 0 HG LEU A 94 12.245 -2.707 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.195 -4.939 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.108 -4.654 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.670 -4.395 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.089 -3.155 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.544 -2.666 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.846 -1.472 -0.636 1.00 0.00 H new ATOM 1463 N LEU A 95 8.917 0.961 0.971 1.00 0.00 N ATOM 1464 CA LEU A 95 7.608 1.613 1.041 1.00 0.00 C ATOM 1465 C LEU A 95 6.573 0.718 0.351 1.00 0.00 C ATOM 1466 O LEU A 95 6.846 0.093 -0.683 1.00 0.00 O ATOM 1467 CB LEU A 95 7.678 3.064 0.535 1.00 0.00 C ATOM 1468 CG LEU A 95 7.537 3.281 -0.959 1.00 0.00 C ATOM 1469 CD1 LEU A 95 6.078 3.106 -1.316 1.00 0.00 C ATOM 1470 CD2 LEU A 95 7.901 4.720 -1.336 1.00 0.00 C ATOM 0 H LEU A 95 9.465 1.167 0.136 1.00 0.00 H new ATOM 0 HA LEU A 95 7.278 1.721 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.896 3.635 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.632 3.487 0.850 1.00 0.00 H new ATOM 0 HG LEU A 95 8.191 2.579 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.945 3.257 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.756 2.100 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.480 3.836 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.793 4.853 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.237 5.411 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.933 4.922 -1.048 1.00 0.00 H new ATOM 1482 N GLU A 96 5.355 0.863 0.857 1.00 0.00 N ATOM 1483 CA GLU A 96 4.197 0.214 0.225 1.00 0.00 C ATOM 1484 C GLU A 96 3.083 1.207 -0.109 1.00 0.00 C ATOM 1485 O GLU A 96 2.632 1.996 0.716 1.00 0.00 O ATOM 1486 CB GLU A 96 3.704 -0.937 1.068 1.00 0.00 C ATOM 1487 CG GLU A 96 2.842 -0.578 2.263 1.00 0.00 C ATOM 1488 CD GLU A 96 2.265 -1.778 3.012 1.00 0.00 C ATOM 1489 OE1 GLU A 96 2.278 -2.899 2.460 1.00 0.00 O ATOM 1490 OE2 GLU A 96 1.855 -1.576 4.171 1.00 0.00 O ATOM 0 H GLU A 96 5.138 1.413 1.688 1.00 0.00 H new ATOM 0 HA GLU A 96 4.529 -0.193 -0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.135 -1.611 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.570 -1.493 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.436 0.016 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.020 0.053 1.925 1.00 0.00 H new ATOM 1497 N PHE A 97 2.623 1.087 -1.346 1.00 0.00 N ATOM 1498 CA PHE A 97 1.534 1.941 -1.823 1.00 0.00 C ATOM 1499 C PHE A 97 0.258 1.104 -2.055 1.00 0.00 C ATOM 1500 O PHE A 97 0.389 0.011 -2.607 1.00 0.00 O ATOM 1501 CB PHE A 97 2.021 2.646 -3.095 1.00 0.00 C ATOM 1502 CG PHE A 97 0.953 3.502 -3.781 1.00 0.00 C ATOM 1503 CD1 PHE A 97 0.020 2.898 -4.655 1.00 0.00 C ATOM 1504 CD2 PHE A 97 0.875 4.877 -3.465 1.00 0.00 C ATOM 1505 CE1 PHE A 97 -1.031 3.670 -5.202 1.00 0.00 C ATOM 1506 CE2 PHE A 97 -0.156 5.642 -4.022 1.00 0.00 C ATOM 1507 CZ PHE A 97 -1.108 5.044 -4.886 1.00 0.00 C ATOM 0 H PHE A 97 2.977 0.419 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 97 1.268 2.695 -1.082 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.873 3.278 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.378 1.895 -3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.110 1.851 -4.904 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.599 5.330 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.764 3.215 -5.852 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.227 6.695 -3.792 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.900 5.646 -5.307 1.00 0.00 H new ATOM 1517 N PRO A 98 -0.930 1.664 -1.780 1.00 0.00 N ATOM 1518 CA PRO A 98 -2.216 0.982 -2.046 1.00 0.00 C ATOM 1519 C PRO A 98 -2.539 0.960 -3.538 1.00 0.00 C ATOM 1520 O PRO A 98 -3.173 1.853 -4.095 1.00 0.00 O ATOM 1521 CB PRO A 98 -3.243 1.746 -1.213 1.00 0.00 C ATOM 1522 CG PRO A 98 -2.669 3.156 -1.185 1.00 0.00 C ATOM 1523 CD PRO A 98 -1.160 2.949 -1.102 1.00 0.00 C ATOM 0 HA PRO A 98 -2.199 -0.071 -1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.233 1.721 -1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.342 1.329 -0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.945 3.715 -2.079 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.041 3.720 -0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.620 3.759 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.819 2.919 -0.067 1.00 0.00 H new ATOM 1531 N THR A 99 -1.954 -0.032 -4.208 1.00 0.00 N ATOM 1532 CA THR A 99 -2.132 -0.236 -5.650 1.00 0.00 C ATOM 1533 C THR A 99 -3.536 -0.800 -5.934 1.00 0.00 C ATOM 1534 O THR A 99 -4.032 -1.670 -5.232 1.00 0.00 O ATOM 1535 CB THR A 99 -1.027 -1.107 -6.269 1.00 0.00 C ATOM 1536 OG1 THR A 99 -1.099 -0.942 -7.688 1.00 0.00 O ATOM 1537 CG2 THR A 99 -1.087 -2.598 -5.896 1.00 0.00 C ATOM 0 H THR A 99 -1.342 -0.719 -3.768 1.00 0.00 H new ATOM 0 HA THR A 99 -2.044 0.736 -6.135 1.00 0.00 H new ATOM 0 HB THR A 99 -0.075 -0.768 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.404 -1.485 -8.116 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.267 -3.128 -6.381 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.000 -2.706 -4.815 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.037 -3.018 -6.227 1.00 0.00 H new ATOM 1545 N PHE A 100 -4.161 -0.206 -6.940 1.00 0.00 N ATOM 1546 CA PHE A 100 -5.532 -0.573 -7.353 1.00 0.00 C ATOM 1547 C PHE A 100 -5.530 -1.476 -8.592 1.00 0.00 C ATOM 1548 O PHE A 100 -4.641 -1.325 -9.429 1.00 0.00 O ATOM 1549 CB PHE A 100 -6.356 0.689 -7.589 1.00 0.00 C ATOM 1550 CG PHE A 100 -6.802 1.306 -6.251 1.00 0.00 C ATOM 1551 CD1 PHE A 100 -5.847 1.685 -5.285 1.00 0.00 C ATOM 1552 CD2 PHE A 100 -8.169 1.496 -5.999 1.00 0.00 C ATOM 1553 CE1 PHE A 100 -6.257 2.247 -4.060 1.00 0.00 C ATOM 1554 CE2 PHE A 100 -8.595 2.127 -4.817 1.00 0.00 C ATOM 1555 CZ PHE A 100 -7.633 2.494 -3.850 1.00 0.00 C ATOM 0 H PHE A 100 -3.746 0.541 -7.498 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.990 -1.147 -6.547 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.767 1.414 -8.151 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.230 0.450 -8.195 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.795 1.544 -5.486 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.899 1.155 -6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.533 2.485 -3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.643 2.328 -4.651 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.954 2.971 -2.936 1.00 0.00 H new ATOM 1565 N PRO A 101 -6.519 -2.382 -8.716 1.00 0.00 N ATOM 1566 CA PRO A 101 -6.604 -3.318 -9.857 1.00 0.00 C ATOM 1567 C PRO A 101 -7.127 -2.637 -11.107 1.00 0.00 C ATOM 1568 O PRO A 101 -6.480 -2.771 -12.148 1.00 0.00 O ATOM 1569 CB PRO A 101 -7.529 -4.446 -9.404 1.00 0.00 C ATOM 1570 CG PRO A 101 -8.398 -3.828 -8.300 1.00 0.00 C ATOM 1571 CD PRO A 101 -7.624 -2.624 -7.764 1.00 0.00 C ATOM 0 HA PRO A 101 -5.618 -3.697 -10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.140 -4.811 -10.230 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.960 -5.296 -9.029 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.367 -3.522 -8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.590 -4.551 -7.507 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.270 -1.749 -7.688 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.239 -2.824 -6.764 1.00 0.00 H new ATOM 1579 N ASP A 102 -8.149 -1.791 -10.938 1.00 0.00 N ATOM 1580 CA ASP A 102 -8.708 -0.933 -12.007 1.00 0.00 C ATOM 1581 C ASP A 102 -7.601 -0.268 -12.836 1.00 0.00 C ATOM 1582 O ASP A 102 -7.761 -0.026 -14.030 1.00 0.00 O ATOM 1583 CB ASP A 102 -9.591 0.179 -11.437 1.00 0.00 C ATOM 1584 CG ASP A 102 -11.084 -0.145 -11.499 1.00 0.00 C ATOM 1585 OD1 ASP A 102 -11.644 -0.050 -12.614 1.00 0.00 O ATOM 1586 OD2 ASP A 102 -11.639 -0.397 -10.417 1.00 0.00 O ATOM 0 H ASP A 102 -8.624 -1.676 -10.043 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.302 -1.594 -12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.309 0.363 -10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.403 1.101 -11.987 1.00 0.00 H new ATOM 1591 N GLY A 103 -6.510 0.012 -12.126 1.00 0.00 N ATOM 1592 CA GLY A 103 -5.306 0.601 -12.704 1.00 0.00 C ATOM 1593 C GLY A 103 -5.325 2.121 -12.610 1.00 0.00 C ATOM 1594 O GLY A 103 -4.513 2.806 -13.220 1.00 0.00 O ATOM 0 H GLY A 103 -6.437 -0.166 -11.124 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.427 0.215 -12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.219 0.301 -13.748 1.00 0.00 H new ATOM 1598 N HIS A 104 -6.254 2.596 -11.787 1.00 0.00 N ATOM 1599 CA HIS A 104 -6.374 4.016 -11.501 1.00 0.00 C ATOM 1600 C HIS A 104 -5.450 4.354 -10.334 1.00 0.00 C ATOM 1601 O HIS A 104 -5.275 3.589 -9.384 1.00 0.00 O ATOM 1602 CB HIS A 104 -7.839 4.414 -11.231 1.00 0.00 C ATOM 1603 CG HIS A 104 -8.442 3.898 -9.926 1.00 0.00 C ATOM 1604 ND1 HIS A 104 -9.459 3.057 -9.795 1.00 0.00 N ATOM 1605 CD2 HIS A 104 -8.122 4.313 -8.707 1.00 0.00 C ATOM 1606 CE1 HIS A 104 -9.762 2.938 -8.511 1.00 0.00 C ATOM 1607 NE2 HIS A 104 -8.911 3.706 -7.840 1.00 0.00 N ATOM 0 H HIS A 104 -6.937 2.012 -11.305 1.00 0.00 H new ATOM 0 HA HIS A 104 -6.067 4.598 -12.370 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -7.906 5.502 -11.234 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -8.451 4.055 -12.058 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -7.348 5.026 -8.465 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -10.551 2.332 -8.090 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -8.873 3.809 -6.826 1.00 0.00 H new ATOM 1616 N ASP A 105 -4.897 5.558 -10.446 1.00 0.00 N ATOM 1617 CA ASP A 105 -4.045 6.138 -9.398 1.00 0.00 C ATOM 1618 C ASP A 105 -4.920 6.735 -8.313 1.00 0.00 C ATOM 1619 O ASP A 105 -5.251 7.920 -8.344 1.00 0.00 O ATOM 1620 CB ASP A 105 -3.083 7.178 -9.980 1.00 0.00 C ATOM 1621 CG ASP A 105 -3.730 8.135 -11.008 1.00 0.00 C ATOM 1622 OD1 ASP A 105 -4.592 8.946 -10.633 1.00 0.00 O ATOM 1623 OD2 ASP A 105 -3.446 7.897 -12.200 1.00 0.00 O ATOM 0 H ASP A 105 -5.022 6.161 -11.259 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.431 5.351 -8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.666 7.768 -9.164 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.251 6.660 -10.456 1.00 0.00 H new ATOM 1628 N TYR A 106 -5.374 5.867 -7.414 1.00 0.00 N ATOM 1629 CA TYR A 106 -6.173 6.294 -6.238 1.00 0.00 C ATOM 1630 C TYR A 106 -5.672 7.639 -5.734 1.00 0.00 C ATOM 1631 O TYR A 106 -4.465 7.860 -5.690 1.00 0.00 O ATOM 1632 CB TYR A 106 -5.951 5.257 -5.149 1.00 0.00 C ATOM 1633 CG TYR A 106 -6.260 5.693 -3.704 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -7.581 5.951 -3.278 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -5.148 5.848 -2.866 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -7.782 6.422 -1.962 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -5.351 6.309 -1.559 1.00 0.00 C ATOM 1638 CZ TYR A 106 -6.657 6.600 -1.133 1.00 0.00 C ATOM 1639 OH TYR A 106 -6.790 7.025 0.140 1.00 0.00 O ATOM 0 H TYR A 106 -5.210 4.862 -7.465 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.226 6.383 -6.504 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.563 4.385 -5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.910 4.936 -5.192 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.417 5.792 -3.942 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.154 5.617 -3.221 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.775 6.641 -1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.515 6.439 -0.888 1.00 0.00 H new ATOM 0 HH TYR A 106 -6.427 6.349 0.750 1.00 0.00 H new ATOM 1649 N LYS A 107 -6.634 8.467 -5.350 1.00 0.00 N ATOM 1650 CA LYS A 107 -6.342 9.794 -4.774 1.00 0.00 C ATOM 1651 C LYS A 107 -5.648 9.644 -3.410 1.00 0.00 C ATOM 1652 O LYS A 107 -6.154 9.946 -2.329 1.00 0.00 O ATOM 1653 CB LYS A 107 -7.630 10.627 -4.736 1.00 0.00 C ATOM 1654 CG LYS A 107 -8.708 10.010 -3.828 1.00 0.00 C ATOM 1655 CD LYS A 107 -10.137 10.427 -4.204 1.00 0.00 C ATOM 1656 CE LYS A 107 -10.604 9.645 -5.436 1.00 0.00 C ATOM 1657 NZ LYS A 107 -10.422 10.456 -6.655 1.00 0.00 N ATOM 0 H LYS A 107 -7.628 8.252 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.637 10.340 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.398 11.633 -4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.025 10.725 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.631 8.924 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.513 10.301 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.811 10.241 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.171 11.497 -4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.040 8.716 -5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.653 9.372 -5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.309 10.471 -7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.162 11.427 -6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.667 10.042 -7.238 1.00 0.00 H new ATOM 1671 N PHE A 108 -4.383 9.283 -3.521 1.00 0.00 N ATOM 1672 CA PHE A 108 -3.507 9.090 -2.358 1.00 0.00 C ATOM 1673 C PHE A 108 -3.057 10.394 -1.702 1.00 0.00 C ATOM 1674 O PHE A 108 -2.319 10.458 -0.714 1.00 0.00 O ATOM 1675 CB PHE A 108 -2.333 8.170 -2.696 1.00 0.00 C ATOM 1676 CG PHE A 108 -1.380 8.803 -3.697 1.00 0.00 C ATOM 1677 CD1 PHE A 108 -0.530 9.831 -3.242 1.00 0.00 C ATOM 1678 CD2 PHE A 108 -1.428 8.445 -5.062 1.00 0.00 C ATOM 1679 CE1 PHE A 108 0.233 10.549 -4.166 1.00 0.00 C ATOM 1680 CE2 PHE A 108 -0.593 9.107 -5.985 1.00 0.00 C ATOM 1681 CZ PHE A 108 0.215 10.159 -5.525 1.00 0.00 C ATOM 0 H PHE A 108 -3.924 9.113 -4.416 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.112 8.592 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.790 7.926 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.713 7.232 -3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.469 10.062 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.100 7.669 -5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.829 11.391 -3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.575 8.811 -7.024 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.841 10.686 -6.230 1.00 0.00 H new ATOM 1691 N ASP A 109 -3.362 11.441 -2.424 1.00 0.00 N ATOM 1692 CA ASP A 109 -3.065 12.824 -2.072 1.00 0.00 C ATOM 1693 C ASP A 109 -4.264 13.512 -1.420 1.00 0.00 C ATOM 1694 O ASP A 109 -4.120 14.587 -0.850 1.00 0.00 O ATOM 1695 CB ASP A 109 -2.577 13.590 -3.316 1.00 0.00 C ATOM 1696 CG ASP A 109 -3.553 13.566 -4.504 1.00 0.00 C ATOM 1697 OD1 ASP A 109 -4.044 12.455 -4.853 1.00 0.00 O ATOM 1698 OD2 ASP A 109 -3.798 14.656 -5.049 1.00 0.00 O ATOM 0 H ASP A 109 -3.847 11.359 -3.317 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.266 12.826 -1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.389 14.627 -3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.624 13.168 -3.636 1.00 0.00 H new ATOM 1703 N SER A 110 -5.425 12.848 -1.479 1.00 0.00 N ATOM 1704 CA SER A 110 -6.668 13.388 -0.897 1.00 0.00 C ATOM 1705 C SER A 110 -6.771 13.001 0.579 1.00 0.00 C ATOM 1706 O SER A 110 -7.098 11.860 0.917 1.00 0.00 O ATOM 1707 CB SER A 110 -7.879 12.846 -1.640 1.00 0.00 C ATOM 1708 OG SER A 110 -8.772 13.925 -1.917 1.00 0.00 O ATOM 0 H SER A 110 -5.533 11.936 -1.923 1.00 0.00 H new ATOM 0 HA SER A 110 -6.645 14.474 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.568 12.366 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.380 12.086 -1.040 1.00 0.00 H new ATOM 0 HG SER A 110 -9.556 13.586 -2.398 1.00 0.00 H new ATOM 1714 N LYS A 111 -6.288 13.914 1.420 1.00 0.00 N ATOM 1715 CA LYS A 111 -6.300 13.720 2.886 1.00 0.00 C ATOM 1716 C LYS A 111 -7.706 13.525 3.414 1.00 0.00 C ATOM 1717 O LYS A 111 -8.079 12.441 3.854 1.00 0.00 O ATOM 1718 CB LYS A 111 -5.570 14.874 3.604 1.00 0.00 C ATOM 1719 CG LYS A 111 -4.897 14.332 4.879 1.00 0.00 C ATOM 1720 CD LYS A 111 -5.259 15.122 6.122 1.00 0.00 C ATOM 1721 CE LYS A 111 -4.167 16.134 6.469 1.00 0.00 C ATOM 1722 NZ LYS A 111 -4.807 17.421 6.763 1.00 0.00 N ATOM 0 H LYS A 111 -5.881 14.800 1.120 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.753 12.802 3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.823 15.315 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.276 15.664 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.185 13.290 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.815 14.348 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -6.204 15.642 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.407 14.440 6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.591 15.791 7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.469 16.238 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.079 18.124 7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.339 17.743 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.458 17.310 7.567 1.00 0.00 H new ATOM 1736 N LYS A 112 -8.465 14.595 3.263 1.00 0.00 N ATOM 1737 CA LYS A 112 -9.883 14.612 3.657 1.00 0.00 C ATOM 1738 C LYS A 112 -10.750 15.208 2.529 1.00 0.00 C ATOM 1739 O LYS A 112 -10.431 16.270 1.998 1.00 0.00 O ATOM 1740 CB LYS A 112 -10.046 15.236 5.048 1.00 0.00 C ATOM 1741 CG LYS A 112 -9.679 16.725 5.111 1.00 0.00 C ATOM 1742 CD LYS A 112 -10.905 17.576 4.756 1.00 0.00 C ATOM 1743 CE LYS A 112 -10.468 18.885 4.109 1.00 0.00 C ATOM 1744 NZ LYS A 112 -11.654 19.590 3.613 1.00 0.00 N ATOM 0 H LYS A 112 -8.131 15.474 2.869 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.266 13.598 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.080 15.113 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -9.423 14.689 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.324 16.980 6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.864 16.938 4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -11.555 17.025 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.486 17.782 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.937 19.504 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.777 18.688 3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.365 20.485 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -12.142 18.997 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -12.297 19.788 4.406 1.00 0.00 H new ATOM 1758 N PRO A 113 -11.750 14.439 2.081 1.00 0.00 N ATOM 1759 CA PRO A 113 -12.004 13.056 2.539 1.00 0.00 C ATOM 1760 C PRO A 113 -10.986 12.099 1.902 1.00 0.00 C ATOM 1761 O PRO A 113 -10.037 12.514 1.236 1.00 0.00 O ATOM 1762 CB PRO A 113 -13.452 12.775 2.124 1.00 0.00 C ATOM 1763 CG PRO A 113 -13.706 13.685 0.926 1.00 0.00 C ATOM 1764 CD PRO A 113 -12.738 14.869 1.074 1.00 0.00 C ATOM 0 HA PRO A 113 -11.885 12.917 3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -13.590 11.727 1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.144 12.992 2.937 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -13.531 13.154 -0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -14.741 14.028 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.256 15.104 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.263 15.768 1.396 1.00 0.00 H new ATOM 1772 N LYS A 114 -11.172 10.825 2.211 1.00 0.00 N ATOM 1773 CA LYS A 114 -10.265 9.770 1.756 1.00 0.00 C ATOM 1774 C LYS A 114 -10.978 8.430 1.862 1.00 0.00 C ATOM 1775 O LYS A 114 -11.355 7.986 2.951 1.00 0.00 O ATOM 1776 CB LYS A 114 -9.021 9.784 2.643 1.00 0.00 C ATOM 1777 CG LYS A 114 -8.010 8.772 2.163 1.00 0.00 C ATOM 1778 CD LYS A 114 -7.023 8.408 3.270 1.00 0.00 C ATOM 1779 CE LYS A 114 -7.527 7.452 4.333 1.00 0.00 C ATOM 1780 NZ LYS A 114 -8.081 6.252 3.684 1.00 0.00 N ATOM 0 H LYS A 114 -11.949 10.490 2.780 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.969 9.933 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.577 10.779 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.301 9.565 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.525 7.874 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.468 9.174 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.138 7.970 2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.705 9.328 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.714 7.174 5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.291 7.936 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.113 5.470 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.043 6.454 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.479 5.983 2.880 1.00 0.00 H new ATOM 1794 N GLU A 115 -11.237 7.867 0.700 1.00 0.00 N ATOM 1795 CA GLU A 115 -11.876 6.536 0.608 1.00 0.00 C ATOM 1796 C GLU A 115 -10.922 5.471 1.184 1.00 0.00 C ATOM 1797 O GLU A 115 -9.699 5.631 1.184 1.00 0.00 O ATOM 1798 CB GLU A 115 -12.258 6.235 -0.850 1.00 0.00 C ATOM 1799 CG GLU A 115 -13.051 4.921 -0.949 1.00 0.00 C ATOM 1800 CD GLU A 115 -13.532 4.615 -2.362 1.00 0.00 C ATOM 1801 OE1 GLU A 115 -12.672 4.232 -3.184 1.00 0.00 O ATOM 1802 OE2 GLU A 115 -14.752 4.760 -2.565 1.00 0.00 O ATOM 0 H GLU A 115 -11.022 8.295 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 115 -12.794 6.521 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.854 7.055 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.357 6.168 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.426 4.100 -0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.912 4.973 -0.282 1.00 0.00 H new ATOM 1809 N ASN A 116 -11.540 4.383 1.634 1.00 0.00 N ATOM 1810 CA ASN A 116 -10.831 3.210 2.153 1.00 0.00 C ATOM 1811 C ASN A 116 -9.757 2.738 1.150 1.00 0.00 C ATOM 1812 O ASN A 116 -9.963 2.851 -0.068 1.00 0.00 O ATOM 1813 CB ASN A 116 -11.816 2.080 2.426 1.00 0.00 C ATOM 1814 CG ASN A 116 -11.403 1.311 3.689 1.00 0.00 C ATOM 1815 OD1 ASN A 116 -10.960 1.868 4.682 1.00 0.00 O ATOM 1816 ND2 ASN A 116 -11.550 0.003 3.660 1.00 0.00 N ATOM 0 H ASN A 116 -12.555 4.286 1.650 1.00 0.00 H new ATOM 0 HA ASN A 116 -10.340 3.489 3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.820 2.485 2.550 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.849 1.402 1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.293 -0.557 4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.921 -0.450 2.825 1.00 0.00 H new ATOM 1823 N PRO A 117 -8.586 2.329 1.658 1.00 0.00 N ATOM 1824 CA PRO A 117 -7.488 1.853 0.809 1.00 0.00 C ATOM 1825 C PRO A 117 -7.828 0.486 0.195 1.00 0.00 C ATOM 1826 O PRO A 117 -8.981 0.054 0.194 1.00 0.00 O ATOM 1827 CB PRO A 117 -6.266 1.866 1.728 1.00 0.00 C ATOM 1828 CG PRO A 117 -6.813 1.690 3.150 1.00 0.00 C ATOM 1829 CD PRO A 117 -8.205 2.307 3.096 1.00 0.00 C ATOM 0 HA PRO A 117 -7.297 2.476 -0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.575 1.062 1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.715 2.802 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.855 0.638 3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.183 2.193 3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.915 1.721 3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.203 3.313 3.515 1.00 0.00 H new ATOM 1837 N GLY A 118 -6.791 -0.153 -0.322 1.00 0.00 N ATOM 1838 CA GLY A 118 -6.898 -1.463 -1.005 1.00 0.00 C ATOM 1839 C GLY A 118 -6.178 -2.564 -0.218 1.00 0.00 C ATOM 1840 O GLY A 118 -5.345 -2.253 0.618 1.00 0.00 O ATOM 0 H GLY A 118 -5.839 0.212 -0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -7.949 -1.727 -1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.471 -1.390 -2.005 1.00 0.00 H new ATOM 1844 N PRO A 119 -6.515 -3.843 -0.426 1.00 0.00 N ATOM 1845 CA PRO A 119 -5.835 -4.961 0.259 1.00 0.00 C ATOM 1846 C PRO A 119 -4.437 -5.196 -0.328 1.00 0.00 C ATOM 1847 O PRO A 119 -3.472 -5.308 0.424 1.00 0.00 O ATOM 1848 CB PRO A 119 -6.765 -6.156 0.092 1.00 0.00 C ATOM 1849 CG PRO A 119 -7.665 -5.824 -1.104 1.00 0.00 C ATOM 1850 CD PRO A 119 -7.599 -4.315 -1.311 1.00 0.00 C ATOM 0 HA PRO A 119 -5.658 -4.761 1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.198 -7.070 -0.087 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -7.357 -6.319 0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -7.328 -6.350 -1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.690 -6.142 -0.914 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.390 -4.070 -2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.547 -3.842 -1.057 1.00 0.00 H new ATOM 1858 N ALA A 120 -4.377 -5.257 -1.652 1.00 0.00 N ATOM 1859 CA ALA A 120 -3.115 -5.364 -2.394 1.00 0.00 C ATOM 1860 C ALA A 120 -2.391 -4.035 -2.513 1.00 0.00 C ATOM 1861 O ALA A 120 -2.988 -2.984 -2.743 1.00 0.00 O ATOM 1862 CB ALA A 120 -3.335 -5.990 -3.771 1.00 0.00 C ATOM 0 H ALA A 120 -5.203 -5.234 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.470 -6.024 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.383 -6.056 -4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.755 -6.989 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.025 -5.372 -4.346 1.00 0.00 H new ATOM 1868 N ARG A 121 -1.105 -4.133 -2.227 1.00 0.00 N ATOM 1869 CA ARG A 121 -0.195 -2.994 -2.189 1.00 0.00 C ATOM 1870 C ARG A 121 1.109 -3.321 -2.907 1.00 0.00 C ATOM 1871 O ARG A 121 1.640 -4.421 -2.788 1.00 0.00 O ATOM 1872 CB ARG A 121 0.094 -2.552 -0.748 1.00 0.00 C ATOM 1873 CG ARG A 121 -1.194 -2.188 0.000 1.00 0.00 C ATOM 1874 CD ARG A 121 -0.960 -1.069 1.014 1.00 0.00 C ATOM 1875 NE ARG A 121 -1.241 -1.538 2.372 1.00 0.00 N ATOM 1876 CZ ARG A 121 -2.441 -1.623 2.954 1.00 0.00 C ATOM 1877 NH1 ARG A 121 -3.535 -1.220 2.343 1.00 0.00 N ATOM 1878 NH2 ARG A 121 -2.555 -2.079 4.192 1.00 0.00 N ATOM 0 H ARG A 121 -0.652 -5.021 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.685 -2.168 -2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.609 -3.353 -0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.765 -1.693 -0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.955 -1.878 -0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.579 -3.070 0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.071 -0.722 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.598 -0.218 0.778 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.439 -1.830 2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.480 -0.831 1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.438 -1.297 2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.724 -2.368 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.474 -2.141 4.630 1.00 0.00 H new ATOM 1892 N VAL A 122 1.597 -2.326 -3.631 1.00 0.00 N ATOM 1893 CA VAL A 122 2.885 -2.425 -4.357 1.00 0.00 C ATOM 1894 C VAL A 122 4.037 -2.176 -3.374 1.00 0.00 C ATOM 1895 O VAL A 122 4.026 -1.208 -2.620 1.00 0.00 O ATOM 1896 CB VAL A 122 2.904 -1.488 -5.576 1.00 0.00 C ATOM 1897 CG1 VAL A 122 2.705 -0.010 -5.235 1.00 0.00 C ATOM 1898 CG2 VAL A 122 4.178 -1.687 -6.403 1.00 0.00 C ATOM 0 H VAL A 122 1.127 -1.427 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 122 3.012 -3.429 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 122 2.038 -1.773 -6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.732 0.581 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.741 0.124 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.501 0.320 -4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 122 4.165 -1.012 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.050 -1.473 -5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.226 -2.718 -6.754 1.00 0.00 H new ATOM 1908 N ILE A 123 5.003 -3.086 -3.438 1.00 0.00 N ATOM 1909 CA ILE A 123 6.194 -2.997 -2.567 1.00 0.00 C ATOM 1910 C ILE A 123 7.412 -2.781 -3.444 1.00 0.00 C ATOM 1911 O ILE A 123 7.590 -3.429 -4.478 1.00 0.00 O ATOM 1912 CB ILE A 123 6.390 -4.270 -1.726 1.00 0.00 C ATOM 1913 CG1 ILE A 123 5.079 -4.753 -1.097 1.00 0.00 C ATOM 1914 CG2 ILE A 123 7.466 -4.042 -0.663 1.00 0.00 C ATOM 1915 CD1 ILE A 123 4.488 -3.813 -0.064 1.00 0.00 C ATOM 0 H ILE A 123 4.997 -3.886 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 123 6.055 -2.166 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 123 6.725 -5.062 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.347 -4.907 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.252 -5.723 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.595 -4.951 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.408 -3.787 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.163 -3.226 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.563 -4.237 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.197 -3.677 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.278 -2.849 -0.527 1.00 0.00 H new ATOM 1927 N TYR A 124 8.258 -1.884 -2.956 1.00 0.00 N ATOM 1928 CA TYR A 124 9.447 -1.425 -3.689 1.00 0.00 C ATOM 1929 C TYR A 124 10.279 -0.470 -2.831 1.00 0.00 C ATOM 1930 O TYR A 124 9.759 0.294 -2.013 1.00 0.00 O ATOM 1931 CB TYR A 124 9.039 -0.705 -4.984 1.00 0.00 C ATOM 1932 CG TYR A 124 8.086 0.453 -4.725 1.00 0.00 C ATOM 1933 CD1 TYR A 124 6.692 0.228 -4.610 1.00 0.00 C ATOM 1934 CD2 TYR A 124 8.634 1.740 -4.611 1.00 0.00 C ATOM 1935 CE1 TYR A 124 5.841 1.313 -4.372 1.00 0.00 C ATOM 1936 CE2 TYR A 124 7.779 2.835 -4.418 1.00 0.00 C ATOM 1937 CZ TYR A 124 6.391 2.605 -4.308 1.00 0.00 C ATOM 1938 OH TYR A 124 5.568 3.676 -4.130 1.00 0.00 O ATOM 0 H TYR A 124 8.146 -1.449 -2.040 1.00 0.00 H new ATOM 0 HA TYR A 124 10.044 -2.304 -3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 124 9.932 -0.333 -5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.566 -1.418 -5.660 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.290 -0.770 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.702 1.886 -4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.780 1.160 -4.240 1.00 0.00 H new ATOM 0 HE2 TYR A 124 8.176 3.837 -4.355 1.00 0.00 H new ATOM 0 HH TYR A 124 6.101 4.498 -4.106 1.00 0.00 H new ATOM 1948 N THR A 125 11.582 -0.683 -2.927 1.00 0.00 N ATOM 1949 CA THR A 125 12.571 0.115 -2.176 1.00 0.00 C ATOM 1950 C THR A 125 12.519 1.578 -2.673 1.00 0.00 C ATOM 1951 O THR A 125 11.626 1.964 -3.412 1.00 0.00 O ATOM 1952 CB THR A 125 13.970 -0.499 -2.328 1.00 0.00 C ATOM 1953 OG1 THR A 125 14.460 -0.232 -3.641 1.00 0.00 O ATOM 1954 CG2 THR A 125 14.008 -2.018 -2.083 1.00 0.00 C ATOM 0 H THR A 125 11.993 -1.405 -3.519 1.00 0.00 H new ATOM 0 HA THR A 125 12.333 0.108 -1.112 1.00 0.00 H new ATOM 0 HB THR A 125 14.596 -0.038 -1.564 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.178 -0.863 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 125 15.028 -2.381 -2.208 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.668 -2.232 -1.070 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.355 -2.518 -2.798 1.00 0.00 H new ATOM 1962 N TYR A 126 13.552 2.346 -2.355 1.00 0.00 N ATOM 1963 CA TYR A 126 13.630 3.776 -2.705 1.00 0.00 C ATOM 1964 C TYR A 126 15.045 4.340 -2.492 1.00 0.00 C ATOM 1965 O TYR A 126 15.729 3.846 -1.587 1.00 0.00 O ATOM 1966 CB TYR A 126 12.548 4.522 -1.890 1.00 0.00 C ATOM 1967 CG TYR A 126 12.904 5.952 -1.510 1.00 0.00 C ATOM 1968 CD1 TYR A 126 12.689 7.030 -2.373 1.00 0.00 C ATOM 1969 CD2 TYR A 126 13.555 6.142 -0.278 1.00 0.00 C ATOM 1970 CE1 TYR A 126 13.126 8.328 -2.060 1.00 0.00 C ATOM 1971 CE2 TYR A 126 13.972 7.446 0.043 1.00 0.00 C ATOM 1972 CZ TYR A 126 13.767 8.520 -0.839 1.00 0.00 C ATOM 1973 OH TYR A 126 14.163 9.758 -0.477 1.00 0.00 O ATOM 0 H TYR A 126 14.367 2.003 -1.846 1.00 0.00 H new ATOM 0 HA TYR A 126 13.433 3.918 -3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 126 11.623 4.534 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 126 12.347 3.959 -0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 126 12.173 6.861 -3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 126 13.728 5.317 0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 126 12.970 9.149 -2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 126 14.461 7.626 0.989 1.00 0.00 H new ATOM 0 HH TYR A 126 14.593 9.720 0.403 1.00 0.00 H new ATOM 1983 N PRO A 127 15.477 5.281 -3.348 1.00 0.00 N ATOM 1984 CA PRO A 127 14.766 5.731 -4.560 1.00 0.00 C ATOM 1985 C PRO A 127 14.820 4.760 -5.723 1.00 0.00 C ATOM 1986 O PRO A 127 14.017 4.886 -6.648 1.00 0.00 O ATOM 1987 CB PRO A 127 15.326 7.108 -4.900 1.00 0.00 C ATOM 1988 CG PRO A 127 16.723 7.095 -4.303 1.00 0.00 C ATOM 1989 CD PRO A 127 16.699 6.084 -3.149 1.00 0.00 C ATOM 0 HA PRO A 127 13.696 5.782 -4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 127 15.354 7.273 -5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 127 14.716 7.904 -4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 127 17.462 6.810 -5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 127 17.000 8.086 -3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.588 5.454 -3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.682 6.591 -2.184 1.00 0.00 H new ATOM 1997 N ASN A 128 15.557 3.676 -5.484 1.00 0.00 N ATOM 1998 CA ASN A 128 15.722 2.560 -6.419 1.00 0.00 C ATOM 1999 C ASN A 128 14.361 2.168 -6.994 1.00 0.00 C ATOM 2000 O ASN A 128 14.209 2.108 -8.203 1.00 0.00 O ATOM 2001 CB ASN A 128 16.289 1.330 -5.702 1.00 0.00 C ATOM 2002 CG ASN A 128 17.465 1.630 -4.774 1.00 0.00 C ATOM 2003 OD1 ASN A 128 18.410 2.327 -5.115 1.00 0.00 O ATOM 2004 ND2 ASN A 128 17.326 1.199 -3.549 1.00 0.00 N ATOM 0 H ASN A 128 16.070 3.545 -4.612 1.00 0.00 H new ATOM 0 HA ASN A 128 16.405 2.881 -7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 128 15.493 0.863 -5.122 1.00 0.00 H new ATOM 0 HB3 ASN A 128 16.607 0.603 -6.449 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.019 1.442 -2.841 1.00 0.00 H new ATOM 0 HD22 ASN A 128 16.525 0.619 -3.300 1.00 0.00 H new ATOM 2011 N LYS A 129 13.378 2.010 -6.089 1.00 0.00 N ATOM 2012 CA LYS A 129 12.003 1.628 -6.460 1.00 0.00 C ATOM 2013 C LYS A 129 11.994 0.281 -7.184 1.00 0.00 C ATOM 2014 O LYS A 129 11.174 0.031 -8.063 1.00 0.00 O ATOM 2015 CB LYS A 129 11.310 2.698 -7.308 1.00 0.00 C ATOM 2016 CG LYS A 129 10.903 3.909 -6.480 1.00 0.00 C ATOM 2017 CD LYS A 129 10.154 4.893 -7.366 1.00 0.00 C ATOM 2018 CE LYS A 129 8.732 5.100 -6.840 1.00 0.00 C ATOM 2019 NZ LYS A 129 8.314 6.495 -7.072 1.00 0.00 N ATOM 0 H LYS A 129 13.513 2.142 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 129 11.437 1.536 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.978 3.015 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.427 2.269 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 129 10.273 3.599 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.785 4.385 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.683 5.846 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 129 10.120 4.520 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.046 4.417 -7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.691 4.870 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.062 6.937 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 9.096 7.024 -7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.489 6.510 -7.706 1.00 0.00 H new ATOM 2033 N VAL A 130 12.958 -0.554 -6.770 1.00 0.00 N ATOM 2034 CA VAL A 130 13.155 -1.905 -7.338 1.00 0.00 C ATOM 2035 C VAL A 130 11.932 -2.730 -6.955 1.00 0.00 C ATOM 2036 O VAL A 130 11.866 -3.286 -5.859 1.00 0.00 O ATOM 2037 CB VAL A 130 14.462 -2.545 -6.809 1.00 0.00 C ATOM 2038 CG1 VAL A 130 14.634 -3.988 -7.317 1.00 0.00 C ATOM 2039 CG2 VAL A 130 15.685 -1.753 -7.276 1.00 0.00 C ATOM 0 H VAL A 130 13.624 -0.317 -6.034 1.00 0.00 H new ATOM 0 HA VAL A 130 13.257 -1.860 -8.422 1.00 0.00 H new ATOM 0 HB VAL A 130 14.387 -2.538 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.562 -4.404 -6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.794 -4.595 -6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.668 -3.989 -8.406 1.00 0.00 H new ATOM 0 HG21 VAL A 130 16.591 -2.222 -6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 130 15.717 -1.741 -8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 130 15.620 -0.731 -6.904 1.00 0.00 H new ATOM 2049 N PHE A 131 10.952 -2.656 -7.847 1.00 0.00 N ATOM 2050 CA PHE A 131 9.668 -3.359 -7.723 1.00 0.00 C ATOM 2051 C PHE A 131 9.916 -4.816 -7.346 1.00 0.00 C ATOM 2052 O PHE A 131 10.445 -5.597 -8.126 1.00 0.00 O ATOM 2053 CB PHE A 131 8.924 -3.227 -9.052 1.00 0.00 C ATOM 2054 CG PHE A 131 7.714 -4.159 -9.124 1.00 0.00 C ATOM 2055 CD1 PHE A 131 6.540 -3.822 -8.412 1.00 0.00 C ATOM 2056 CD2 PHE A 131 7.825 -5.341 -9.888 1.00 0.00 C ATOM 2057 CE1 PHE A 131 5.437 -4.698 -8.471 1.00 0.00 C ATOM 2058 CE2 PHE A 131 6.728 -6.220 -9.923 1.00 0.00 C ATOM 2059 CZ PHE A 131 5.550 -5.886 -9.227 1.00 0.00 C ATOM 0 H PHE A 131 11.023 -2.096 -8.696 1.00 0.00 H new ATOM 0 HA PHE A 131 9.054 -2.923 -6.935 1.00 0.00 H new ATOM 0 HB2 PHE A 131 8.596 -2.196 -9.183 1.00 0.00 H new ATOM 0 HB3 PHE A 131 9.605 -3.452 -9.873 1.00 0.00 H new ATOM 0 HD1 PHE A 131 6.489 -2.911 -7.834 1.00 0.00 H new ATOM 0 HD2 PHE A 131 8.731 -5.565 -10.432 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.522 -4.465 -7.947 1.00 0.00 H new ATOM 0 HE2 PHE A 131 6.788 -7.144 -10.479 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.707 -6.559 -9.273 1.00 0.00 H new ATOM 2069 N CYS A 132 9.641 -5.092 -6.074 1.00 0.00 N ATOM 2070 CA CYS A 132 9.805 -6.454 -5.552 1.00 0.00 C ATOM 2071 C CYS A 132 8.590 -7.314 -5.886 1.00 0.00 C ATOM 2072 O CYS A 132 8.700 -8.497 -6.214 1.00 0.00 O ATOM 2073 CB CYS A 132 10.059 -6.406 -4.049 1.00 0.00 C ATOM 2074 SG CYS A 132 11.820 -6.783 -3.751 1.00 0.00 S ATOM 0 H CYS A 132 9.310 -4.408 -5.393 1.00 0.00 H new ATOM 0 HA CYS A 132 10.669 -6.915 -6.031 1.00 0.00 H new ATOM 0 HB2 CYS A 132 9.810 -5.421 -3.653 1.00 0.00 H new ATOM 0 HB3 CYS A 132 9.424 -7.127 -3.534 1.00 0.00 H new ATOM 2079 N GLY A 133 7.447 -6.637 -5.884 1.00 0.00 N ATOM 2080 CA GLY A 133 6.168 -7.267 -6.159 1.00 0.00 C ATOM 2081 C GLY A 133 4.992 -6.522 -5.570 1.00 0.00 C ATOM 2082 O GLY A 133 5.040 -5.318 -5.312 1.00 0.00 O ATOM 0 H GLY A 133 7.385 -5.637 -5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.035 -7.346 -7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 133 6.180 -8.283 -5.764 1.00 0.00 H new ATOM 2086 N ILE A 134 3.940 -7.307 -5.407 1.00 0.00 N ATOM 2087 CA ILE A 134 2.717 -6.808 -4.770 1.00 0.00 C ATOM 2088 C ILE A 134 2.347 -7.762 -3.640 1.00 0.00 C ATOM 2089 O ILE A 134 2.483 -8.975 -3.741 1.00 0.00 O ATOM 2090 CB ILE A 134 1.601 -6.630 -5.812 1.00 0.00 C ATOM 2091 CG1 ILE A 134 1.871 -5.369 -6.630 1.00 0.00 C ATOM 2092 CG2 ILE A 134 0.183 -6.497 -5.232 1.00 0.00 C ATOM 2093 CD1 ILE A 134 2.230 -5.716 -8.060 1.00 0.00 C ATOM 0 H ILE A 134 3.900 -8.283 -5.701 1.00 0.00 H new ATOM 0 HA ILE A 134 2.874 -5.819 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 134 1.623 -7.543 -6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 134 0.990 -4.728 -6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 134 2.683 -4.803 -6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -0.533 -6.376 -6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -0.063 -7.393 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 134 0.138 -5.627 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 134 2.417 -4.800 -8.621 1.00 0.00 H new ATOM 0 HD12 ILE A 134 3.126 -6.337 -8.070 1.00 0.00 H new ATOM 0 HD13 ILE A 134 1.406 -6.261 -8.520 1.00 0.00 H new ATOM 2105 N ILE A 135 1.924 -7.162 -2.555 1.00 0.00 N ATOM 2106 CA ILE A 135 1.481 -7.934 -1.394 1.00 0.00 C ATOM 2107 C ILE A 135 0.066 -7.522 -1.012 1.00 0.00 C ATOM 2108 O ILE A 135 -0.295 -6.350 -1.076 1.00 0.00 O ATOM 2109 CB ILE A 135 2.440 -7.763 -0.207 1.00 0.00 C ATOM 2110 CG1 ILE A 135 2.333 -6.345 0.333 1.00 0.00 C ATOM 2111 CG2 ILE A 135 3.879 -8.123 -0.615 1.00 0.00 C ATOM 2112 CD1 ILE A 135 2.877 -6.275 1.737 1.00 0.00 C ATOM 0 H ILE A 135 1.873 -6.150 -2.440 1.00 0.00 H new ATOM 0 HA ILE A 135 1.483 -8.991 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 135 2.159 -8.449 0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 135 2.884 -5.661 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.292 -6.023 0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.542 -7.995 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 135 3.914 -9.160 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 135 4.202 -7.469 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.793 -5.254 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.307 -6.944 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.925 -6.576 1.737 1.00 0.00 H new ATOM 2124 N ALA A 136 -0.711 -8.509 -0.601 1.00 0.00 N ATOM 2125 CA ALA A 136 -2.095 -8.282 -0.188 1.00 0.00 C ATOM 2126 C ALA A 136 -2.445 -9.144 1.008 1.00 0.00 C ATOM 2127 O ALA A 136 -2.033 -10.293 1.095 1.00 0.00 O ATOM 2128 CB ALA A 136 -3.052 -8.651 -1.308 1.00 0.00 C ATOM 0 H ALA A 136 -0.410 -9.482 -0.542 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.188 -7.226 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.078 -8.476 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.840 -8.039 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.927 -9.704 -1.562 1.00 0.00 H new ATOM 2134 N HIS A 137 -3.269 -8.563 1.863 1.00 0.00 N ATOM 2135 CA HIS A 137 -3.745 -9.261 3.057 1.00 0.00 C ATOM 2136 C HIS A 137 -4.597 -10.466 2.647 1.00 0.00 C ATOM 2137 O HIS A 137 -5.460 -10.378 1.782 1.00 0.00 O ATOM 2138 CB HIS A 137 -4.542 -8.299 3.936 1.00 0.00 C ATOM 2139 CG HIS A 137 -3.690 -7.140 4.469 1.00 0.00 C ATOM 2140 ND1 HIS A 137 -3.131 -7.040 5.666 1.00 0.00 N ATOM 2141 CD2 HIS A 137 -3.482 -5.998 3.830 1.00 0.00 C ATOM 2142 CE1 HIS A 137 -2.595 -5.833 5.779 1.00 0.00 C ATOM 2143 NE2 HIS A 137 -2.774 -5.205 4.624 1.00 0.00 N ATOM 0 H HIS A 137 -3.625 -7.613 1.758 1.00 0.00 H new ATOM 0 HA HIS A 137 -2.893 -9.623 3.633 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -5.377 -7.897 3.363 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -4.967 -8.848 4.776 1.00 0.00 H new ATOM 0 HD1 HIS A 137 -3.116 -7.769 6.380 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -3.828 -5.755 2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -2.102 -5.433 6.653 1.00 0.00 H new ATOM 2152 N THR A 138 -4.439 -11.557 3.374 1.00 0.00 N ATOM 2153 CA THR A 138 -5.190 -12.791 3.079 1.00 0.00 C ATOM 2154 C THR A 138 -6.400 -12.949 4.006 1.00 0.00 C ATOM 2155 O THR A 138 -6.837 -14.048 4.338 1.00 0.00 O ATOM 2156 CB THR A 138 -4.262 -13.996 3.193 1.00 0.00 C ATOM 2157 OG1 THR A 138 -3.368 -13.766 4.285 1.00 0.00 O ATOM 2158 CG2 THR A 138 -3.570 -14.262 1.860 1.00 0.00 C ATOM 0 H THR A 138 -3.805 -11.627 4.170 1.00 0.00 H new ATOM 0 HA THR A 138 -5.570 -12.726 2.060 1.00 0.00 H new ATOM 0 HB THR A 138 -4.815 -14.909 3.411 1.00 0.00 H new ATOM 0 HG1 THR A 138 -2.762 -14.530 4.378 1.00 0.00 H new ATOM 0 HG21 THR A 138 -2.911 -15.125 1.958 1.00 0.00 H new ATOM 0 HG22 THR A 138 -4.320 -14.463 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.984 -13.389 1.574 1.00 0.00 H new ATOM 2166 N LYS A 139 -6.988 -11.801 4.326 1.00 0.00 N ATOM 2167 CA LYS A 139 -8.172 -11.718 5.207 1.00 0.00 C ATOM 2168 C LYS A 139 -8.755 -10.310 5.186 1.00 0.00 C ATOM 2169 O LYS A 139 -8.434 -9.476 6.033 1.00 0.00 O ATOM 2170 CB LYS A 139 -7.835 -12.138 6.637 1.00 0.00 C ATOM 2171 CG LYS A 139 -9.023 -12.764 7.342 1.00 0.00 C ATOM 2172 CD LYS A 139 -8.886 -14.277 7.283 1.00 0.00 C ATOM 2173 CE LYS A 139 -10.297 -14.836 7.375 1.00 0.00 C ATOM 2174 NZ LYS A 139 -10.344 -16.230 7.818 1.00 0.00 N ATOM 0 H LYS A 139 -6.665 -10.895 3.987 1.00 0.00 H new ATOM 0 HA LYS A 139 -8.920 -12.412 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -7.008 -12.848 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -7.497 -11.268 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -9.066 -12.429 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -9.952 -12.450 6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -8.404 -14.588 6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.268 -14.644 8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -10.878 -14.224 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -10.775 -14.757 6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -11.333 -16.548 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -9.816 -16.825 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.916 -16.309 8.762 1.00 0.00 H new ATOM 2188 N GLU A 140 -9.523 -10.069 4.125 1.00 0.00 N ATOM 2189 CA GLU A 140 -10.181 -8.777 3.852 1.00 0.00 C ATOM 2190 C GLU A 140 -9.142 -7.693 3.539 1.00 0.00 C ATOM 2191 O GLU A 140 -8.670 -7.617 2.412 1.00 0.00 O ATOM 2192 CB GLU A 140 -11.099 -8.395 5.026 1.00 0.00 C ATOM 2193 CG GLU A 140 -12.567 -8.714 4.773 1.00 0.00 C ATOM 2194 CD GLU A 140 -13.367 -7.426 4.923 1.00 0.00 C ATOM 2195 OE1 GLU A 140 -13.168 -6.723 5.938 1.00 0.00 O ATOM 2196 OE2 GLU A 140 -14.152 -7.150 3.993 1.00 0.00 O ATOM 0 H GLU A 140 -9.714 -10.774 3.413 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.808 -8.872 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -10.769 -8.921 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -10.996 -7.329 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.699 -9.129 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -12.920 -9.465 5.480 1.00 0.00 H new ATOM 2203 N ASN A 141 -8.658 -7.039 4.597 1.00 0.00 N ATOM 2204 CA ASN A 141 -7.667 -5.953 4.529 1.00 0.00 C ATOM 2205 C ASN A 141 -6.856 -5.842 5.830 1.00 0.00 C ATOM 2206 O ASN A 141 -6.558 -4.750 6.314 1.00 0.00 O ATOM 2207 CB ASN A 141 -8.404 -4.633 4.257 1.00 0.00 C ATOM 2208 CG ASN A 141 -8.981 -4.567 2.846 1.00 0.00 C ATOM 2209 OD1 ASN A 141 -9.984 -5.172 2.506 1.00 0.00 O ATOM 2210 ND2 ASN A 141 -8.374 -3.740 2.040 1.00 0.00 N ATOM 0 H ASN A 141 -8.949 -7.252 5.551 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.964 -6.171 3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -9.210 -4.514 4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -7.717 -3.800 4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.737 -3.586 1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -7.537 -3.247 2.351 1.00 0.00 H new ATOM 2217 N GLN A 142 -6.609 -7.001 6.422 1.00 0.00 N ATOM 2218 CA GLN A 142 -5.875 -7.093 7.707 1.00 0.00 C ATOM 2219 C GLN A 142 -5.025 -8.342 7.840 1.00 0.00 C ATOM 2220 O GLN A 142 -3.862 -8.246 8.245 1.00 0.00 O ATOM 2221 CB GLN A 142 -6.821 -7.014 8.900 1.00 0.00 C ATOM 2222 CG GLN A 142 -6.957 -5.556 9.346 1.00 0.00 C ATOM 2223 CD GLN A 142 -7.905 -5.446 10.527 1.00 0.00 C ATOM 2224 OE1 GLN A 142 -7.624 -5.844 11.648 1.00 0.00 O ATOM 2225 NE2 GLN A 142 -9.084 -4.920 10.263 1.00 0.00 N ATOM 0 H GLN A 142 -6.901 -7.902 6.044 1.00 0.00 H new ATOM 0 HA GLN A 142 -5.203 -6.234 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -7.798 -7.416 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -6.441 -7.623 9.720 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.979 -5.161 9.620 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -7.326 -4.950 8.519 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -9.298 -4.594 9.320 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -9.783 -4.839 11.001 1.00 0.00 H new ATOM 2234 N GLY A 143 -5.592 -9.471 7.422 1.00 0.00 N ATOM 2235 CA GLY A 143 -4.904 -10.782 7.466 1.00 0.00 C ATOM 2236 C GLY A 143 -3.486 -10.687 6.941 1.00 0.00 C ATOM 2237 O GLY A 143 -3.155 -9.779 6.187 1.00 0.00 O ATOM 0 H GLY A 143 -6.538 -9.515 7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -4.889 -11.151 8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -5.463 -11.507 6.875 1.00 0.00 H new ATOM 2241 N GLU A 144 -2.635 -11.584 7.405 1.00 0.00 N ATOM 2242 CA GLU A 144 -1.204 -11.575 7.032 1.00 0.00 C ATOM 2243 C GLU A 144 -0.984 -11.218 5.559 1.00 0.00 C ATOM 2244 O GLU A 144 -1.696 -11.677 4.672 1.00 0.00 O ATOM 2245 CB GLU A 144 -0.539 -12.919 7.310 1.00 0.00 C ATOM 2246 CG GLU A 144 0.314 -12.861 8.583 1.00 0.00 C ATOM 2247 CD GLU A 144 -0.508 -12.815 9.869 1.00 0.00 C ATOM 2248 OE1 GLU A 144 -1.497 -13.578 9.956 1.00 0.00 O ATOM 2249 OE2 GLU A 144 -0.124 -12.030 10.767 1.00 0.00 O ATOM 0 H GLU A 144 -2.896 -12.336 8.043 1.00 0.00 H new ATOM 0 HA GLU A 144 -0.747 -10.804 7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -1.302 -13.691 7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 144 0.086 -13.201 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 144 0.969 -13.732 8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 144 0.956 -11.981 8.540 1.00 0.00 H new ATOM 2256 N LEU A 145 -0.168 -10.189 5.354 1.00 0.00 N ATOM 2257 CA LEU A 145 0.135 -9.715 3.996 1.00 0.00 C ATOM 2258 C LEU A 145 0.865 -10.821 3.219 1.00 0.00 C ATOM 2259 O LEU A 145 1.941 -11.254 3.616 1.00 0.00 O ATOM 2260 CB LEU A 145 0.989 -8.458 4.057 1.00 0.00 C ATOM 2261 CG LEU A 145 0.139 -7.223 4.307 1.00 0.00 C ATOM 2262 CD1 LEU A 145 0.872 -6.246 5.233 1.00 0.00 C ATOM 2263 CD2 LEU A 145 -0.289 -6.566 3.001 1.00 0.00 C ATOM 0 H LEU A 145 0.294 -9.668 6.099 1.00 0.00 H new ATOM 0 HA LEU A 145 -0.796 -9.473 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 145 1.731 -8.558 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 145 1.536 -8.342 3.121 1.00 0.00 H new ATOM 0 HG LEU A 145 -0.776 -7.533 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 145 0.249 -5.367 5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 145 1.078 -6.733 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 145 1.811 -5.942 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.895 -5.686 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 145 0.595 -6.268 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -0.873 -7.273 2.412 1.00 0.00 H new ATOM 2275 N LYS A 146 0.133 -11.450 2.305 1.00 0.00 N ATOM 2276 CA LYS A 146 0.722 -12.504 1.484 1.00 0.00 C ATOM 2277 C LYS A 146 1.250 -11.892 0.187 1.00 0.00 C ATOM 2278 O LYS A 146 0.588 -11.091 -0.473 1.00 0.00 O ATOM 2279 CB LYS A 146 -0.300 -13.601 1.195 1.00 0.00 C ATOM 2280 CG LYS A 146 0.314 -14.839 0.529 1.00 0.00 C ATOM 2281 CD LYS A 146 -0.219 -16.104 1.196 1.00 0.00 C ATOM 2282 CE LYS A 146 0.924 -16.989 1.717 1.00 0.00 C ATOM 2283 NZ LYS A 146 1.361 -17.937 0.682 1.00 0.00 N ATOM 0 H LYS A 146 -0.850 -11.254 2.115 1.00 0.00 H new ATOM 0 HA LYS A 146 1.549 -12.963 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.778 -13.898 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.082 -13.200 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.073 -14.848 -0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.401 -14.805 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -0.876 -15.832 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.821 -16.667 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.763 -16.365 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 146 0.594 -17.535 2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 2.134 -18.525 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 0.563 -18.545 0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 1.696 -17.412 -0.151 1.00 0.00 H new ATOM 2297 N LEU A 147 2.520 -12.205 -0.059 1.00 0.00 N ATOM 2298 CA LEU A 147 3.216 -11.774 -1.269 1.00 0.00 C ATOM 2299 C LEU A 147 2.567 -12.424 -2.493 1.00 0.00 C ATOM 2300 O LEU A 147 2.672 -13.631 -2.692 1.00 0.00 O ATOM 2301 CB LEU A 147 4.713 -12.120 -1.186 1.00 0.00 C ATOM 2302 CG LEU A 147 5.480 -11.887 -2.496 1.00 0.00 C ATOM 2303 CD1 LEU A 147 5.525 -10.419 -2.926 1.00 0.00 C ATOM 2304 CD2 LEU A 147 6.890 -12.444 -2.351 1.00 0.00 C ATOM 0 H LEU A 147 3.094 -12.763 0.573 1.00 0.00 H new ATOM 0 HA LEU A 147 3.133 -10.691 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.171 -11.523 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 147 4.819 -13.165 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 147 4.940 -12.410 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.082 -10.330 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.509 -10.052 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.015 -9.828 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 147 7.442 -12.283 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 147 7.399 -11.936 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 147 6.839 -13.512 -2.140 1.00 0.00 H new ATOM 2316 N CYS A 148 1.767 -11.608 -3.177 1.00 0.00 N ATOM 2317 CA CYS A 148 1.084 -12.016 -4.421 1.00 0.00 C ATOM 2318 C CYS A 148 2.129 -12.600 -5.382 1.00 0.00 C ATOM 2319 O CYS A 148 3.347 -12.413 -5.234 1.00 0.00 O ATOM 2320 CB CYS A 148 0.381 -10.828 -5.092 1.00 0.00 C ATOM 2321 SG CYS A 148 -0.527 -9.750 -3.919 1.00 0.00 S ATOM 0 H CYS A 148 1.569 -10.648 -2.893 1.00 0.00 H new ATOM 0 HA CYS A 148 0.324 -12.759 -4.176 1.00 0.00 H new ATOM 0 HB2 CYS A 148 1.123 -10.230 -5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -0.317 -11.205 -5.840 1.00 0.00 H new ATOM 2326 N SER A 149 1.621 -13.363 -6.315 1.00 0.00 N ATOM 2327 CA SER A 149 2.479 -14.082 -7.275 1.00 0.00 C ATOM 2328 C SER A 149 1.880 -13.952 -8.665 1.00 0.00 C ATOM 2329 O SER A 149 0.663 -13.886 -8.844 1.00 0.00 O ATOM 2330 CB SER A 149 2.599 -15.565 -6.907 1.00 0.00 C ATOM 2331 OG SER A 149 2.919 -15.695 -5.525 1.00 0.00 O ATOM 0 H SER A 149 0.621 -13.515 -6.446 1.00 0.00 H new ATOM 0 HA SER A 149 3.477 -13.644 -7.248 1.00 0.00 H new ATOM 0 HB2 SER A 149 1.663 -16.080 -7.123 1.00 0.00 H new ATOM 0 HB3 SER A 149 3.370 -16.039 -7.514 1.00 0.00 H new ATOM 0 HG SER A 149 2.993 -16.645 -5.294 1.00 0.00 H new ATOM 2337 N HIS A 150 2.785 -13.894 -9.630 1.00 0.00 N ATOM 2338 CA HIS A 150 2.411 -13.816 -11.047 1.00 0.00 C ATOM 2339 C HIS A 150 2.739 -15.102 -11.830 1.00 0.00 C ATOM 2340 O HIS A 150 3.603 -15.857 -11.336 1.00 0.00 O ATOM 2341 CB HIS A 150 3.054 -12.590 -11.678 1.00 0.00 C ATOM 2342 CG HIS A 150 4.581 -12.635 -11.548 1.00 0.00 C ATOM 2343 ND1 HIS A 150 5.415 -13.083 -12.463 1.00 0.00 N ATOM 2344 CD2 HIS A 150 5.294 -12.085 -10.579 1.00 0.00 C ATOM 2345 CE1 HIS A 150 6.652 -12.798 -12.080 1.00 0.00 C ATOM 2346 NE2 HIS A 150 6.580 -12.158 -10.913 1.00 0.00 N ATOM 2347 OXT HIS A 150 2.135 -15.293 -12.908 1.00 0.00 O ATOM 0 H HIS A 150 3.791 -13.899 -9.463 1.00 0.00 H new ATOM 0 HA HIS A 150 1.327 -13.716 -11.099 1.00 0.00 H new ATOM 0 HB2 HIS A 150 2.778 -12.533 -12.731 1.00 0.00 H new ATOM 0 HB3 HIS A 150 2.672 -11.689 -11.199 1.00 0.00 H new ATOM 0 HD2 HIS A 150 4.900 -11.651 -9.672 1.00 0.00 H new ATOM 0 HE1 HIS A 150 7.557 -13.041 -12.618 1.00 0.00 H new ATOM 0 HE2 HIS A 150 7.366 -11.792 -10.375 1.00 0.00 H new