USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 975 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 29 SER OG : rot 1:sc= -4.07! USER MOD Set 1.2: A 119 LYS NZ :NH3+ -171:sc= -3.25! (180deg=-2.99!) USER MOD Set 2.1: A 94 THR OG1 : rot -94:sc= 0.0488! USER MOD Set 2.2: A 96 TYR OH : rot 117:sc= 0.611 USER MOD Set 3.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 74 ASN : amide:sc= -1.02! C(o=-1!,f=-7!) USER MOD Set 4.1: A 9 THR OG1 : rot 120:sc= -1.6 USER MOD Set 4.2: A 51 LYS NZ :NH3+ -163:sc= -0.0427 (180deg=-0.328) USER MOD Set 5.1: A 28 LYS NZ :NH3+ -150:sc= -1.38 (180deg=-1.92!) USER MOD Set 5.2: A 34 GLN : amide:sc= -0.0564 K(o=-1.4,f=-9.8!) USER MOD Single : A 1 GLU N :NH3+ -125:sc= -0.0452 (180deg=-0.421) USER MOD Single : A 2 LYS NZ :NH3+ -115:sc= 0.00252 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 131:sc= 1.18 (180deg=-0.735) USER MOD Single : A 10 THR OG1 : rot -32:sc= 0.239 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 57:sc= -2.57! USER MOD Single : A 14 THR OG1 : rot 3:sc= 0.782! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.156) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0249 K(o=-0.025,f=-1.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 31 ASN : amide:sc= -1.78! C(o=-1.8!,f=-10!) USER MOD Single : A 32 ASN : amide:sc= -2.81! C(o=-2.8!,f=-4.5!) USER MOD Single : A 33 GLN : amide:sc= -0.0086 X(o=-0.0086,f=-0.018) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -0.0353 (180deg=-0.403) USER MOD Single : A 43 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.096) USER MOD Single : A 45 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.594 X(o=-0.59,f=-0.36) USER MOD Single : A 69 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.0483 (180deg=-0.504) USER MOD Single : A 76 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.1!) USER MOD Single : A 79 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.6) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.00435) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.8!) USER MOD Single : A 88 MET CE :methyl 127:sc= -0.019 (180deg=-0.444) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.249 K(o=-0.25,f=-2) USER MOD Single : A 93 ASN : amide:sc= -0.916 K(o=-0.92,f=-3.9!) USER MOD Single : A 97 SER OG : rot 100:sc= -2.83! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 13:sc= 0.673! USER MOD Single : A 106 ASN : amide:sc= -0.0112 K(o=-0.011,f=-1.8!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -123:sc= -0.985 (180deg=-1.95) USER MOD Single : A 117 ASN : amide:sc= -0.079 K(o=-0.079,f=-1.2!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 115.738 15.109 -6.042 1.00 0.00 N ATOM 2 CA GLU A 1 116.577 14.580 -4.931 1.00 0.00 C ATOM 3 C GLU A 1 116.171 13.137 -4.624 1.00 0.00 C ATOM 4 O GLU A 1 115.073 12.874 -4.176 1.00 0.00 O ATOM 5 CB GLU A 1 116.374 15.442 -3.683 1.00 0.00 C ATOM 6 CG GLU A 1 116.969 16.832 -3.919 1.00 0.00 C ATOM 7 CD GLU A 1 116.669 17.727 -2.715 1.00 0.00 C ATOM 8 OE1 GLU A 1 116.063 17.238 -1.775 1.00 0.00 O ATOM 9 OE2 GLU A 1 117.048 18.886 -2.755 1.00 0.00 O ATOM 0 H1 GLU A 1 116.352 15.459 -6.805 1.00 0.00 H new ATOM 0 H2 GLU A 1 115.129 14.350 -6.409 1.00 0.00 H new ATOM 0 H3 GLU A 1 115.146 15.888 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 1 117.626 14.607 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 1 115.312 15.524 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 1 116.850 14.972 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 1 118.046 16.757 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 1 116.549 17.270 -4.825 1.00 0.00 H new ATOM 18 N LYS A 2 117.047 12.200 -4.861 1.00 0.00 N ATOM 19 CA LYS A 2 116.708 10.777 -4.579 1.00 0.00 C ATOM 20 C LYS A 2 116.803 10.523 -3.072 1.00 0.00 C ATOM 21 O LYS A 2 117.533 11.189 -2.366 1.00 0.00 O ATOM 22 CB LYS A 2 117.686 9.863 -5.324 1.00 0.00 C ATOM 23 CG LYS A 2 117.567 10.103 -6.832 1.00 0.00 C ATOM 24 CD LYS A 2 116.210 9.597 -7.330 1.00 0.00 C ATOM 25 CE LYS A 2 116.263 9.405 -8.847 1.00 0.00 C ATOM 26 NZ LYS A 2 114.970 8.831 -9.320 1.00 0.00 N ATOM 0 H LYS A 2 117.982 12.358 -5.237 1.00 0.00 H new ATOM 0 HA LYS A 2 115.693 10.566 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.706 10.059 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.471 8.819 -5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 2 117.672 11.166 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 2 118.372 9.589 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 2 115.960 8.655 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 2 115.427 10.309 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 2 116.451 10.359 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 2 117.086 8.742 -9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 115.133 7.878 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 114.304 8.774 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 114.571 9.440 -10.062 1.00 0.00 H new ATOM 40 N VAL A 3 116.058 9.575 -2.574 1.00 0.00 N ATOM 41 CA VAL A 3 116.086 9.286 -1.110 1.00 0.00 C ATOM 42 C VAL A 3 117.066 8.147 -0.823 1.00 0.00 C ATOM 43 O VAL A 3 117.085 7.147 -1.510 1.00 0.00 O ATOM 44 CB VAL A 3 114.688 8.866 -0.654 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.741 8.395 0.801 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.734 10.057 -0.773 1.00 0.00 C ATOM 0 H VAL A 3 115.429 8.985 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 3 116.403 10.180 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 3 114.332 8.050 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.743 8.096 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.419 7.545 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 3 115.099 9.207 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.737 9.759 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 3 114.091 10.873 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.693 10.388 -1.811 1.00 0.00 H new ATOM 56 N LYS A 4 117.881 8.288 0.190 1.00 0.00 N ATOM 57 CA LYS A 4 118.844 7.199 0.510 1.00 0.00 C ATOM 58 C LYS A 4 118.060 5.986 1.008 1.00 0.00 C ATOM 59 O LYS A 4 117.335 6.063 1.981 1.00 0.00 O ATOM 60 CB LYS A 4 119.812 7.661 1.604 1.00 0.00 C ATOM 61 CG LYS A 4 120.656 8.832 1.097 1.00 0.00 C ATOM 62 CD LYS A 4 121.789 8.307 0.211 1.00 0.00 C ATOM 63 CE LYS A 4 122.699 9.466 -0.195 1.00 0.00 C ATOM 64 NZ LYS A 4 123.394 9.997 1.013 1.00 0.00 N ATOM 0 H LYS A 4 117.920 9.103 0.803 1.00 0.00 H new ATOM 0 HA LYS A 4 119.415 6.940 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.254 7.961 2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.460 6.836 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 4 120.032 9.525 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.068 9.387 1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 4 122.363 7.551 0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 4 121.378 7.826 -0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 4 123.430 9.129 -0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 4 122.113 10.255 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 124.412 10.082 0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 123.008 10.933 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 123.247 9.347 1.812 1.00 0.00 H new ATOM 78 N GLY A 5 118.193 4.871 0.350 1.00 0.00 N ATOM 79 CA GLY A 5 117.444 3.664 0.789 1.00 0.00 C ATOM 80 C GLY A 5 117.740 2.503 -0.154 1.00 0.00 C ATOM 81 O GLY A 5 118.415 2.658 -1.153 1.00 0.00 O ATOM 0 H GLY A 5 118.786 4.743 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.728 3.399 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.374 3.872 0.800 1.00 0.00 H new ATOM 85 N CYS A 6 117.235 1.339 0.152 1.00 0.00 N ATOM 86 CA CYS A 6 117.478 0.159 -0.728 1.00 0.00 C ATOM 87 C CYS A 6 116.150 -0.321 -1.315 1.00 0.00 C ATOM 88 O CYS A 6 115.174 -0.519 -0.608 1.00 0.00 O ATOM 89 CB CYS A 6 118.111 -0.960 0.098 1.00 0.00 C ATOM 90 SG CYS A 6 118.998 -2.101 -0.995 1.00 0.00 S ATOM 0 H CYS A 6 116.663 1.153 0.976 1.00 0.00 H new ATOM 0 HA CYS A 6 118.150 0.437 -1.540 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.797 -0.539 0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.341 -1.497 0.651 1.00 0.00 H new ATOM 95 N ASP A 7 116.107 -0.508 -2.605 1.00 0.00 N ATOM 96 CA ASP A 7 114.850 -0.984 -3.251 1.00 0.00 C ATOM 97 C ASP A 7 115.002 -2.462 -3.621 1.00 0.00 C ATOM 98 O ASP A 7 115.718 -2.810 -4.538 1.00 0.00 O ATOM 99 CB ASP A 7 114.584 -0.165 -4.515 1.00 0.00 C ATOM 100 CG ASP A 7 113.151 -0.408 -4.991 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.351 -0.864 -4.190 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.878 -0.133 -6.146 1.00 0.00 O ATOM 0 H ASP A 7 116.889 -0.352 -3.241 1.00 0.00 H new ATOM 0 HA ASP A 7 114.015 -0.864 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.736 0.895 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.290 -0.444 -5.297 1.00 0.00 H new ATOM 107 N PHE A 8 114.325 -3.332 -2.922 1.00 0.00 N ATOM 108 CA PHE A 8 114.423 -4.785 -3.241 1.00 0.00 C ATOM 109 C PHE A 8 113.357 -5.138 -4.278 1.00 0.00 C ATOM 110 O PHE A 8 113.221 -6.275 -4.685 1.00 0.00 O ATOM 111 CB PHE A 8 114.192 -5.608 -1.972 1.00 0.00 C ATOM 112 CG PHE A 8 115.300 -5.345 -0.980 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.588 -5.840 -1.219 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.038 -4.608 0.182 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.613 -5.599 -0.296 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.063 -4.369 1.105 1.00 0.00 C ATOM 117 CZ PHE A 8 117.350 -4.863 0.866 1.00 0.00 C ATOM 0 H PHE A 8 113.708 -3.099 -2.144 1.00 0.00 H new ATOM 0 HA PHE A 8 115.414 -5.008 -3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.229 -5.350 -1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.156 -6.669 -2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.791 -6.408 -2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.045 -4.224 0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.606 -5.981 -0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 8 115.860 -3.803 2.002 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.141 -4.677 1.578 1.00 0.00 H new ATOM 127 N THR A 9 112.588 -4.168 -4.691 1.00 0.00 N ATOM 128 CA THR A 9 111.511 -4.437 -5.685 1.00 0.00 C ATOM 129 C THR A 9 111.942 -3.971 -7.079 1.00 0.00 C ATOM 130 O THR A 9 111.358 -4.355 -8.073 1.00 0.00 O ATOM 131 CB THR A 9 110.249 -3.680 -5.267 1.00 0.00 C ATOM 132 OG1 THR A 9 109.948 -3.978 -3.912 1.00 0.00 O ATOM 133 CG2 THR A 9 109.079 -4.101 -6.156 1.00 0.00 C ATOM 0 H THR A 9 112.659 -3.199 -4.382 1.00 0.00 H new ATOM 0 HA THR A 9 111.315 -5.509 -5.718 1.00 0.00 H new ATOM 0 HB THR A 9 110.416 -2.608 -5.376 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.960 -3.152 -3.385 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.181 -3.560 -5.856 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.311 -3.871 -7.196 1.00 0.00 H new ATOM 0 HG23 THR A 9 108.909 -5.173 -6.051 1.00 0.00 H new ATOM 141 N THR A 10 112.946 -3.140 -7.172 1.00 0.00 N ATOM 142 CA THR A 10 113.376 -2.662 -8.518 1.00 0.00 C ATOM 143 C THR A 10 114.835 -2.202 -8.475 1.00 0.00 C ATOM 144 O THR A 10 115.216 -1.380 -7.666 1.00 0.00 O ATOM 145 CB THR A 10 112.490 -1.489 -8.943 1.00 0.00 C ATOM 146 OG1 THR A 10 111.130 -1.808 -8.684 1.00 0.00 O ATOM 147 CG2 THR A 10 112.675 -1.217 -10.437 1.00 0.00 C ATOM 0 H THR A 10 113.481 -2.775 -6.384 1.00 0.00 H new ATOM 0 HA THR A 10 113.282 -3.480 -9.233 1.00 0.00 H new ATOM 0 HB THR A 10 112.771 -0.600 -8.378 1.00 0.00 H new ATOM 0 HG1 THR A 10 110.992 -2.771 -8.800 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.042 -0.381 -10.736 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.718 -0.972 -10.636 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.396 -2.104 -11.006 1.00 0.00 H new ATOM 155 N SER A 11 115.655 -2.723 -9.350 1.00 0.00 N ATOM 156 CA SER A 11 117.086 -2.306 -9.362 1.00 0.00 C ATOM 157 C SER A 11 117.165 -0.822 -9.717 1.00 0.00 C ATOM 158 O SER A 11 118.082 -0.124 -9.327 1.00 0.00 O ATOM 159 CB SER A 11 117.847 -3.121 -10.409 1.00 0.00 C ATOM 160 OG SER A 11 117.262 -2.910 -11.687 1.00 0.00 O ATOM 0 H SER A 11 115.396 -3.416 -10.053 1.00 0.00 H new ATOM 0 HA SER A 11 117.529 -2.477 -8.381 1.00 0.00 H new ATOM 0 HB2 SER A 11 118.896 -2.826 -10.424 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.817 -4.180 -10.154 1.00 0.00 H new ATOM 0 HG SER A 11 117.749 -3.430 -12.360 1.00 0.00 H new ATOM 166 N GLU A 12 116.201 -0.336 -10.451 1.00 0.00 N ATOM 167 CA GLU A 12 116.196 1.105 -10.837 1.00 0.00 C ATOM 168 C GLU A 12 114.995 1.790 -10.183 1.00 0.00 C ATOM 169 O GLU A 12 113.992 2.045 -10.820 1.00 0.00 O ATOM 170 CB GLU A 12 116.084 1.222 -12.357 1.00 0.00 C ATOM 171 CG GLU A 12 117.358 0.683 -13.011 1.00 0.00 C ATOM 172 CD GLU A 12 117.207 0.729 -14.533 1.00 0.00 C ATOM 173 OE1 GLU A 12 116.168 1.173 -14.992 1.00 0.00 O ATOM 174 OE2 GLU A 12 118.134 0.320 -15.214 1.00 0.00 O ATOM 0 H GLU A 12 115.412 -0.878 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 12 117.118 1.581 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.218 0.664 -12.711 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.930 2.263 -12.641 1.00 0.00 H new ATOM 0 HG2 GLU A 12 118.218 1.277 -12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.543 -0.340 -12.684 1.00 0.00 H new ATOM 181 N SER A 13 115.084 2.074 -8.916 1.00 0.00 N ATOM 182 CA SER A 13 113.941 2.729 -8.219 1.00 0.00 C ATOM 183 C SER A 13 113.814 4.186 -8.666 1.00 0.00 C ATOM 184 O SER A 13 114.775 4.817 -9.059 1.00 0.00 O ATOM 185 CB SER A 13 114.174 2.686 -6.710 1.00 0.00 C ATOM 186 OG SER A 13 115.304 3.481 -6.389 1.00 0.00 O ATOM 0 H SER A 13 115.897 1.882 -8.331 1.00 0.00 H new ATOM 0 HA SER A 13 113.023 2.197 -8.469 1.00 0.00 H new ATOM 0 HB2 SER A 13 113.294 3.055 -6.184 1.00 0.00 H new ATOM 0 HB3 SER A 13 114.333 1.658 -6.384 1.00 0.00 H new ATOM 0 HG SER A 13 115.165 4.395 -6.715 1.00 0.00 H new ATOM 192 N THR A 14 112.630 4.723 -8.594 1.00 0.00 N ATOM 193 CA THR A 14 112.417 6.140 -8.992 1.00 0.00 C ATOM 194 C THR A 14 112.319 6.993 -7.729 1.00 0.00 C ATOM 195 O THR A 14 112.121 8.191 -7.787 1.00 0.00 O ATOM 196 CB THR A 14 111.120 6.259 -9.794 1.00 0.00 C ATOM 197 OG1 THR A 14 110.669 7.606 -9.772 1.00 0.00 O ATOM 198 CG2 THR A 14 110.053 5.352 -9.177 1.00 0.00 C ATOM 0 H THR A 14 111.793 4.236 -8.273 1.00 0.00 H new ATOM 0 HA THR A 14 113.248 6.482 -9.609 1.00 0.00 H new ATOM 0 HB THR A 14 111.302 5.955 -10.825 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.320 8.161 -9.293 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.129 5.437 -9.748 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.398 4.318 -9.197 1.00 0.00 H new ATOM 0 HG23 THR A 14 109.871 5.654 -8.146 1.00 0.00 H new ATOM 206 N ILE A 15 112.454 6.375 -6.585 1.00 0.00 N ATOM 207 CA ILE A 15 112.365 7.128 -5.302 1.00 0.00 C ATOM 208 C ILE A 15 113.635 6.919 -4.475 1.00 0.00 C ATOM 209 O ILE A 15 113.970 7.727 -3.632 1.00 0.00 O ATOM 210 CB ILE A 15 111.146 6.638 -4.517 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.042 5.115 -4.638 1.00 0.00 C ATOM 212 CG2 ILE A 15 109.878 7.280 -5.082 1.00 0.00 C ATOM 213 CD1 ILE A 15 109.979 4.595 -3.668 1.00 0.00 C ATOM 0 H ILE A 15 112.623 5.374 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 15 112.262 8.192 -5.515 1.00 0.00 H new ATOM 0 HB ILE A 15 111.256 6.916 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.783 4.838 -5.660 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.006 4.656 -4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.012 6.929 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 15 109.950 8.364 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.767 7.005 -6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 15 109.906 3.511 -3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.257 4.859 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.016 5.044 -3.909 1.00 0.00 H new ATOM 225 N PHE A 16 114.341 5.838 -4.694 1.00 0.00 N ATOM 226 CA PHE A 16 115.583 5.584 -3.899 1.00 0.00 C ATOM 227 C PHE A 16 116.810 5.617 -4.815 1.00 0.00 C ATOM 228 O PHE A 16 116.777 5.153 -5.935 1.00 0.00 O ATOM 229 CB PHE A 16 115.494 4.211 -3.224 1.00 0.00 C ATOM 230 CG PHE A 16 114.490 4.262 -2.097 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.792 4.951 -0.916 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.251 3.624 -2.235 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.860 5.000 0.126 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.319 3.675 -1.193 1.00 0.00 C ATOM 235 CZ PHE A 16 112.622 4.361 -0.013 1.00 0.00 C ATOM 0 H PHE A 16 114.113 5.123 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 16 115.679 6.360 -3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.200 3.455 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.472 3.920 -2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.746 5.445 -0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 16 113.015 3.093 -3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 16 114.095 5.530 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.363 3.183 -1.300 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.902 4.398 0.791 1.00 0.00 H new ATOM 245 N SER A 17 117.888 6.179 -4.344 1.00 0.00 N ATOM 246 CA SER A 17 119.125 6.264 -5.175 1.00 0.00 C ATOM 247 C SER A 17 119.736 4.873 -5.377 1.00 0.00 C ATOM 248 O SER A 17 120.546 4.676 -6.259 1.00 0.00 O ATOM 249 CB SER A 17 120.144 7.156 -4.468 1.00 0.00 C ATOM 250 OG SER A 17 120.436 6.607 -3.190 1.00 0.00 O ATOM 0 H SER A 17 117.967 6.587 -3.412 1.00 0.00 H new ATOM 0 HA SER A 17 118.865 6.681 -6.148 1.00 0.00 H new ATOM 0 HB2 SER A 17 121.055 7.230 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 17 119.749 8.166 -4.362 1.00 0.00 H new ATOM 0 HG SER A 17 121.091 7.174 -2.732 1.00 0.00 H new ATOM 256 N LYS A 18 119.372 3.909 -4.571 1.00 0.00 N ATOM 257 CA LYS A 18 119.966 2.543 -4.735 1.00 0.00 C ATOM 258 C LYS A 18 118.863 1.482 -4.783 1.00 0.00 C ATOM 259 O LYS A 18 117.897 1.533 -4.049 1.00 0.00 O ATOM 260 CB LYS A 18 120.899 2.253 -3.561 1.00 0.00 C ATOM 261 CG LYS A 18 121.755 1.026 -3.882 1.00 0.00 C ATOM 262 CD LYS A 18 122.723 0.761 -2.727 1.00 0.00 C ATOM 263 CE LYS A 18 123.912 1.719 -2.819 1.00 0.00 C ATOM 264 NZ LYS A 18 124.957 1.305 -1.842 1.00 0.00 N ATOM 0 H LYS A 18 118.696 4.004 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 18 120.525 2.511 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.538 3.115 -3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 18 120.318 2.078 -2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.117 0.157 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.310 1.189 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 18 122.211 0.892 -1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 18 123.072 -0.271 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.320 1.713 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 18 123.588 2.739 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 125.678 2.051 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 124.520 1.151 -0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.404 0.423 -2.164 1.00 0.00 H new ATOM 278 N GLY A 19 119.013 0.508 -5.641 1.00 0.00 N ATOM 279 CA GLY A 19 117.985 -0.568 -5.740 1.00 0.00 C ATOM 280 C GLY A 19 118.649 -1.874 -6.186 1.00 0.00 C ATOM 281 O GLY A 19 119.753 -1.878 -6.691 1.00 0.00 O ATOM 0 H GLY A 19 119.804 0.411 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.496 -0.708 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.211 -0.281 -6.451 1.00 0.00 H new ATOM 285 N TYR A 20 117.982 -2.983 -5.999 1.00 0.00 N ATOM 286 CA TYR A 20 118.566 -4.296 -6.406 1.00 0.00 C ATOM 287 C TYR A 20 117.575 -5.042 -7.302 1.00 0.00 C ATOM 288 O TYR A 20 116.390 -4.779 -7.287 1.00 0.00 O ATOM 289 CB TYR A 20 118.849 -5.138 -5.160 1.00 0.00 C ATOM 290 CG TYR A 20 120.081 -4.617 -4.458 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.024 -3.417 -3.739 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.279 -5.338 -4.522 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.164 -2.941 -3.082 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.420 -4.861 -3.867 1.00 0.00 C ATOM 295 CZ TYR A 20 122.362 -3.662 -3.147 1.00 0.00 C ATOM 296 OH TYR A 20 123.486 -3.192 -2.499 1.00 0.00 O ATOM 0 H TYR A 20 117.054 -3.036 -5.580 1.00 0.00 H new ATOM 0 HA TYR A 20 119.494 -4.124 -6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 20 117.994 -5.104 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 20 118.993 -6.181 -5.440 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.101 -2.859 -3.692 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.323 -6.263 -5.077 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.120 -2.017 -2.525 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.344 -5.417 -3.917 1.00 0.00 H new ATOM 0 HH TYR A 20 124.231 -3.812 -2.644 1.00 0.00 H new ATOM 306 N SER A 21 118.053 -5.981 -8.073 1.00 0.00 N ATOM 307 CA SER A 21 117.141 -6.755 -8.962 1.00 0.00 C ATOM 308 C SER A 21 116.624 -7.983 -8.205 1.00 0.00 C ATOM 309 O SER A 21 117.296 -8.519 -7.343 1.00 0.00 O ATOM 310 CB SER A 21 117.905 -7.203 -10.207 1.00 0.00 C ATOM 311 OG SER A 21 117.054 -7.998 -11.021 1.00 0.00 O ATOM 0 H SER A 21 119.037 -6.245 -8.125 1.00 0.00 H new ATOM 0 HA SER A 21 116.300 -6.130 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 21 118.254 -6.334 -10.766 1.00 0.00 H new ATOM 0 HB3 SER A 21 118.789 -7.773 -9.920 1.00 0.00 H new ATOM 0 HG SER A 21 117.541 -8.285 -11.821 1.00 0.00 H new ATOM 317 N ILE A 22 115.437 -8.432 -8.515 1.00 0.00 N ATOM 318 CA ILE A 22 114.889 -9.620 -7.804 1.00 0.00 C ATOM 319 C ILE A 22 115.751 -10.847 -8.115 1.00 0.00 C ATOM 320 O ILE A 22 115.875 -11.750 -7.312 1.00 0.00 O ATOM 321 CB ILE A 22 113.449 -9.873 -8.254 1.00 0.00 C ATOM 322 CG1 ILE A 22 113.410 -10.084 -9.769 1.00 0.00 C ATOM 323 CG2 ILE A 22 112.581 -8.669 -7.885 1.00 0.00 C ATOM 324 CD1 ILE A 22 112.001 -10.515 -10.186 1.00 0.00 C ATOM 0 H ILE A 22 114.827 -8.029 -9.226 1.00 0.00 H new ATOM 0 HA ILE A 22 114.900 -9.434 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 22 113.068 -10.765 -7.756 1.00 0.00 H new ATOM 0 HG12 ILE A 22 113.688 -9.164 -10.283 1.00 0.00 H new ATOM 0 HG13 ILE A 22 114.136 -10.843 -10.060 1.00 0.00 H new ATOM 0 HG21 ILE A 22 111.555 -8.849 -8.205 1.00 0.00 H new ATOM 0 HG22 ILE A 22 112.604 -8.521 -6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 22 112.965 -7.778 -8.381 1.00 0.00 H new ATOM 0 HD11 ILE A 22 111.971 -10.666 -11.265 1.00 0.00 H new ATOM 0 HD12 ILE A 22 111.741 -11.446 -9.682 1.00 0.00 H new ATOM 0 HD13 ILE A 22 111.286 -9.740 -9.908 1.00 0.00 H new ATOM 336 N ASN A 23 116.348 -10.888 -9.274 1.00 0.00 N ATOM 337 CA ASN A 23 117.203 -12.055 -9.630 1.00 0.00 C ATOM 338 C ASN A 23 118.484 -12.031 -8.797 1.00 0.00 C ATOM 339 O ASN A 23 118.955 -13.050 -8.333 1.00 0.00 O ATOM 340 CB ASN A 23 117.562 -11.991 -11.117 1.00 0.00 C ATOM 341 CG ASN A 23 118.473 -13.168 -11.473 1.00 0.00 C ATOM 342 OD1 ASN A 23 118.171 -14.302 -11.157 1.00 0.00 O ATOM 343 ND2 ASN A 23 119.582 -12.946 -12.122 1.00 0.00 N ATOM 0 H ASN A 23 116.281 -10.164 -9.990 1.00 0.00 H new ATOM 0 HA ASN A 23 116.657 -12.976 -9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 23 116.656 -12.022 -11.722 1.00 0.00 H new ATOM 0 HB3 ASN A 23 118.063 -11.049 -11.341 1.00 0.00 H new ATOM 0 HD21 ASN A 23 120.196 -13.724 -12.364 1.00 0.00 H new ATOM 0 HD22 ASN A 23 119.836 -11.994 -12.387 1.00 0.00 H new ATOM 350 N GLU A 24 119.060 -10.873 -8.614 1.00 0.00 N ATOM 351 CA GLU A 24 120.322 -10.779 -7.826 1.00 0.00 C ATOM 352 C GLU A 24 120.084 -11.243 -6.388 1.00 0.00 C ATOM 353 O GLU A 24 120.862 -11.999 -5.839 1.00 0.00 O ATOM 354 CB GLU A 24 120.811 -9.329 -7.820 1.00 0.00 C ATOM 355 CG GLU A 24 121.312 -8.950 -9.216 1.00 0.00 C ATOM 356 CD GLU A 24 121.657 -7.460 -9.249 1.00 0.00 C ATOM 357 OE1 GLU A 24 121.518 -6.816 -8.221 1.00 0.00 O ATOM 358 OE2 GLU A 24 122.054 -6.986 -10.301 1.00 0.00 O ATOM 0 H GLU A 24 118.710 -9.987 -8.977 1.00 0.00 H new ATOM 0 HA GLU A 24 121.075 -11.420 -8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 24 120.002 -8.663 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 24 121.611 -9.208 -7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 24 122.190 -9.543 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 24 120.548 -9.174 -9.961 1.00 0.00 H new ATOM 365 N ILE A 25 119.023 -10.802 -5.770 1.00 0.00 N ATOM 366 CA ILE A 25 118.758 -11.232 -4.368 1.00 0.00 C ATOM 367 C ILE A 25 118.371 -12.712 -4.350 1.00 0.00 C ATOM 368 O ILE A 25 118.818 -13.469 -3.511 1.00 0.00 O ATOM 369 CB ILE A 25 117.631 -10.383 -3.770 1.00 0.00 C ATOM 370 CG1 ILE A 25 116.342 -10.604 -4.560 1.00 0.00 C ATOM 371 CG2 ILE A 25 118.018 -8.905 -3.837 1.00 0.00 C ATOM 372 CD1 ILE A 25 115.263 -9.643 -4.057 1.00 0.00 C ATOM 0 H ILE A 25 118.333 -10.167 -6.171 1.00 0.00 H new ATOM 0 HA ILE A 25 119.658 -11.093 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 25 117.473 -10.675 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 25 116.522 -10.441 -5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 25 116.007 -11.635 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.217 -8.300 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 25 118.935 -8.743 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 25 118.178 -8.617 -4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.344 -9.801 -4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 25 115.076 -9.827 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.600 -8.615 -4.192 1.00 0.00 H new ATOM 384 N SER A 26 117.544 -13.134 -5.270 1.00 0.00 N ATOM 385 CA SER A 26 117.136 -14.566 -5.303 1.00 0.00 C ATOM 386 C SER A 26 118.350 -15.430 -5.644 1.00 0.00 C ATOM 387 O SER A 26 118.693 -16.346 -4.925 1.00 0.00 O ATOM 388 CB SER A 26 116.052 -14.762 -6.363 1.00 0.00 C ATOM 389 OG SER A 26 115.333 -15.956 -6.086 1.00 0.00 O ATOM 0 H SER A 26 117.135 -12.549 -5.998 1.00 0.00 H new ATOM 0 HA SER A 26 116.745 -14.858 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 26 115.374 -13.909 -6.368 1.00 0.00 H new ATOM 0 HB3 SER A 26 116.502 -14.817 -7.354 1.00 0.00 H new ATOM 0 HG SER A 26 114.636 -16.083 -6.763 1.00 0.00 H new ATOM 395 N ASN A 27 119.004 -15.143 -6.737 1.00 0.00 N ATOM 396 CA ASN A 27 120.195 -15.948 -7.129 1.00 0.00 C ATOM 397 C ASN A 27 121.097 -16.131 -5.917 1.00 0.00 C ATOM 398 O ASN A 27 121.968 -15.325 -5.679 1.00 0.00 O ATOM 399 CB ASN A 27 120.974 -15.206 -8.219 1.00 0.00 C ATOM 400 CG ASN A 27 122.088 -16.110 -8.753 1.00 0.00 C ATOM 401 OD1 ASN A 27 121.959 -17.317 -8.754 1.00 0.00 O ATOM 402 ND2 ASN A 27 123.187 -15.572 -9.209 1.00 0.00 N ATOM 0 H ASN A 27 118.764 -14.385 -7.376 1.00 0.00 H new ATOM 0 HA ASN A 27 119.871 -16.919 -7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.304 -14.919 -9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.399 -14.287 -7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 27 123.936 -16.166 -9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.297 -14.558 -9.209 1.00 0.00 H new ATOM 409 N LYS A 28 120.872 -17.169 -5.149 1.00 0.00 N ATOM 410 CA LYS A 28 121.703 -17.413 -3.919 1.00 0.00 C ATOM 411 C LYS A 28 122.945 -16.517 -3.950 1.00 0.00 C ATOM 412 O LYS A 28 123.773 -16.614 -4.835 1.00 0.00 O ATOM 413 CB LYS A 28 122.141 -18.877 -3.907 1.00 0.00 C ATOM 414 CG LYS A 28 122.837 -19.190 -2.584 1.00 0.00 C ATOM 415 CD LYS A 28 121.787 -19.526 -1.523 1.00 0.00 C ATOM 416 CE LYS A 28 122.484 -19.965 -0.235 1.00 0.00 C ATOM 417 NZ LYS A 28 121.460 -20.297 0.796 1.00 0.00 N ATOM 0 H LYS A 28 120.145 -17.864 -5.319 1.00 0.00 H new ATOM 0 HA LYS A 28 121.118 -17.187 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 28 121.276 -19.527 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 28 122.816 -19.073 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 28 123.523 -20.028 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 28 123.433 -18.336 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 28 121.158 -18.657 -1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 28 121.132 -20.319 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 28 123.116 -20.832 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 28 123.136 -19.170 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 121.844 -20.101 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 120.610 -19.718 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 121.210 -21.304 0.725 1.00 0.00 H new ATOM 431 N SER A 29 123.047 -15.615 -3.022 1.00 0.00 N ATOM 432 CA SER A 29 124.210 -14.683 -3.020 1.00 0.00 C ATOM 433 C SER A 29 125.498 -15.476 -3.230 1.00 0.00 C ATOM 434 O SER A 29 125.804 -16.386 -2.488 1.00 0.00 O ATOM 435 CB SER A 29 124.275 -13.959 -1.671 1.00 0.00 C ATOM 436 OG SER A 29 123.136 -13.119 -1.532 1.00 0.00 O ATOM 0 H SER A 29 122.378 -15.479 -2.264 1.00 0.00 H new ATOM 0 HA SER A 29 124.096 -13.955 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 29 124.308 -14.684 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 29 125.188 -13.367 -1.607 1.00 0.00 H new ATOM 0 HG SER A 29 122.566 -13.208 -2.324 1.00 0.00 H new ATOM 442 N SER A 30 126.255 -15.136 -4.235 1.00 0.00 N ATOM 443 CA SER A 30 127.527 -15.867 -4.496 1.00 0.00 C ATOM 444 C SER A 30 128.697 -15.068 -3.920 1.00 0.00 C ATOM 445 O SER A 30 129.819 -15.532 -3.880 1.00 0.00 O ATOM 446 CB SER A 30 127.719 -16.038 -6.002 1.00 0.00 C ATOM 447 OG SER A 30 127.354 -14.834 -6.661 1.00 0.00 O ATOM 0 H SER A 30 126.048 -14.381 -4.889 1.00 0.00 H new ATOM 0 HA SER A 30 127.487 -16.848 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 30 128.757 -16.286 -6.222 1.00 0.00 H new ATOM 0 HB3 SER A 30 127.109 -16.865 -6.366 1.00 0.00 H new ATOM 0 HG SER A 30 127.478 -14.940 -7.627 1.00 0.00 H new ATOM 453 N ASN A 31 128.444 -13.865 -3.470 1.00 0.00 N ATOM 454 CA ASN A 31 129.545 -13.036 -2.896 1.00 0.00 C ATOM 455 C ASN A 31 129.426 -13.007 -1.371 1.00 0.00 C ATOM 456 O ASN A 31 130.237 -12.415 -0.687 1.00 0.00 O ATOM 457 CB ASN A 31 129.446 -11.609 -3.439 1.00 0.00 C ATOM 458 CG ASN A 31 128.135 -10.974 -2.974 1.00 0.00 C ATOM 459 OD1 ASN A 31 127.442 -11.523 -2.141 1.00 0.00 O ATOM 460 ND2 ASN A 31 127.764 -9.828 -3.477 1.00 0.00 N ATOM 0 H ASN A 31 127.525 -13.423 -3.475 1.00 0.00 H new ATOM 0 HA ASN A 31 130.505 -13.469 -3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 31 130.292 -11.017 -3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 31 129.491 -11.619 -4.528 1.00 0.00 H new ATOM 0 HD21 ASN A 31 126.893 -9.395 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 31 128.345 -9.366 -4.177 1.00 0.00 H new ATOM 467 N ASN A 32 128.422 -13.643 -0.830 1.00 0.00 N ATOM 468 CA ASN A 32 128.253 -13.647 0.651 1.00 0.00 C ATOM 469 C ASN A 32 127.303 -14.780 1.052 1.00 0.00 C ATOM 470 O ASN A 32 126.976 -15.638 0.259 1.00 0.00 O ATOM 471 CB ASN A 32 127.669 -12.307 1.106 1.00 0.00 C ATOM 472 CG ASN A 32 127.811 -12.178 2.623 1.00 0.00 C ATOM 473 OD1 ASN A 32 128.753 -12.682 3.203 1.00 0.00 O ATOM 474 ND2 ASN A 32 126.910 -11.516 3.297 1.00 0.00 N ATOM 0 H ASN A 32 127.712 -14.160 -1.349 1.00 0.00 H new ATOM 0 HA ASN A 32 129.223 -13.798 1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 32 128.186 -11.486 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 32 126.619 -12.240 0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 32 126.997 -11.422 4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 32 126.119 -11.093 2.812 1.00 0.00 H new ATOM 481 N GLN A 33 126.863 -14.792 2.282 1.00 0.00 N ATOM 482 CA GLN A 33 125.941 -15.873 2.730 1.00 0.00 C ATOM 483 C GLN A 33 124.530 -15.591 2.213 1.00 0.00 C ATOM 484 O GLN A 33 124.312 -14.684 1.435 1.00 0.00 O ATOM 485 CB GLN A 33 125.930 -15.933 4.259 1.00 0.00 C ATOM 486 CG GLN A 33 125.215 -14.701 4.818 1.00 0.00 C ATOM 487 CD GLN A 33 125.373 -14.666 6.340 1.00 0.00 C ATOM 488 OE1 GLN A 33 124.851 -15.514 7.036 1.00 0.00 O ATOM 489 NE2 GLN A 33 126.078 -13.714 6.888 1.00 0.00 N ATOM 0 H GLN A 33 127.102 -14.101 2.993 1.00 0.00 H new ATOM 0 HA GLN A 33 126.283 -16.829 2.334 1.00 0.00 H new ATOM 0 HB2 GLN A 33 125.427 -16.840 4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 33 126.951 -15.976 4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 33 125.631 -13.795 4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 33 124.158 -14.729 4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 33 126.516 -13.002 6.303 1.00 0.00 H new ATOM 0 HE22 GLN A 33 126.191 -13.682 7.901 1.00 0.00 H new ATOM 498 N GLN A 34 123.565 -16.362 2.641 1.00 0.00 N ATOM 499 CA GLN A 34 122.169 -16.136 2.173 1.00 0.00 C ATOM 500 C GLN A 34 121.578 -14.921 2.891 1.00 0.00 C ATOM 501 O GLN A 34 120.493 -14.977 3.435 1.00 0.00 O ATOM 502 CB GLN A 34 121.322 -17.374 2.477 1.00 0.00 C ATOM 503 CG GLN A 34 121.449 -17.734 3.958 1.00 0.00 C ATOM 504 CD GLN A 34 120.681 -19.026 4.235 1.00 0.00 C ATOM 505 OE1 GLN A 34 120.335 -19.749 3.320 1.00 0.00 O ATOM 506 NE2 GLN A 34 120.394 -19.350 5.466 1.00 0.00 N ATOM 0 H GLN A 34 123.685 -17.137 3.293 1.00 0.00 H new ATOM 0 HA GLN A 34 122.172 -15.954 1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 34 120.278 -17.183 2.227 1.00 0.00 H new ATOM 0 HB3 GLN A 34 121.649 -18.211 1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 34 122.499 -17.858 4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 34 121.057 -16.926 4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 34 120.684 -18.744 6.234 1.00 0.00 H new ATOM 0 HE22 GLN A 34 119.880 -20.209 5.661 1.00 0.00 H new ATOM 515 N ASP A 35 122.283 -13.823 2.892 1.00 0.00 N ATOM 516 CA ASP A 35 121.767 -12.603 3.574 1.00 0.00 C ATOM 517 C ASP A 35 122.126 -11.368 2.751 1.00 0.00 C ATOM 518 O ASP A 35 123.284 -11.052 2.563 1.00 0.00 O ATOM 519 CB ASP A 35 122.405 -12.484 4.960 1.00 0.00 C ATOM 520 CG ASP A 35 121.854 -13.577 5.877 1.00 0.00 C ATOM 521 OD1 ASP A 35 120.829 -14.142 5.543 1.00 0.00 O ATOM 522 OD2 ASP A 35 122.471 -13.832 6.898 1.00 0.00 O ATOM 0 H ASP A 35 123.196 -13.718 2.449 1.00 0.00 H new ATOM 0 HA ASP A 35 120.684 -12.676 3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 35 123.488 -12.574 4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 35 122.197 -11.501 5.384 1.00 0.00 H new ATOM 527 N ILE A 36 121.148 -10.658 2.257 1.00 0.00 N ATOM 528 CA ILE A 36 121.451 -9.441 1.453 1.00 0.00 C ATOM 529 C ILE A 36 121.435 -8.227 2.377 1.00 0.00 C ATOM 530 O ILE A 36 120.482 -8.004 3.099 1.00 0.00 O ATOM 531 CB ILE A 36 120.391 -9.263 0.363 1.00 0.00 C ATOM 532 CG1 ILE A 36 120.335 -10.521 -0.508 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.750 -8.055 -0.506 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.730 -10.833 -1.057 1.00 0.00 C ATOM 0 H ILE A 36 120.157 -10.867 2.375 1.00 0.00 H new ATOM 0 HA ILE A 36 122.430 -9.544 0.985 1.00 0.00 H new ATOM 0 HB ILE A 36 119.418 -9.100 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.967 -11.364 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.635 -10.374 -1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 36 119.995 -7.928 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.787 -7.159 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.723 -8.216 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.685 -11.729 -1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 36 122.081 -9.994 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 36 122.418 -10.999 -0.228 1.00 0.00 H new ATOM 546 N VAL A 37 122.483 -7.447 2.374 1.00 0.00 N ATOM 547 CA VAL A 37 122.524 -6.252 3.268 1.00 0.00 C ATOM 548 C VAL A 37 122.757 -4.987 2.450 1.00 0.00 C ATOM 549 O VAL A 37 123.681 -4.902 1.663 1.00 0.00 O ATOM 550 CB VAL A 37 123.662 -6.412 4.275 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.875 -5.089 5.016 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.306 -7.509 5.283 1.00 0.00 C ATOM 0 H VAL A 37 123.310 -7.584 1.793 1.00 0.00 H new ATOM 0 HA VAL A 37 121.571 -6.170 3.790 1.00 0.00 H new ATOM 0 HB VAL A 37 124.576 -6.687 3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.687 -5.201 5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.130 -4.308 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.960 -4.815 5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.119 -7.622 6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.392 -7.236 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.153 -8.451 4.757 1.00 0.00 H new ATOM 562 N CYS A 38 121.939 -3.989 2.648 1.00 0.00 N ATOM 563 CA CYS A 38 122.134 -2.714 1.905 1.00 0.00 C ATOM 564 C CYS A 38 122.791 -1.704 2.845 1.00 0.00 C ATOM 565 O CYS A 38 122.144 -1.117 3.691 1.00 0.00 O ATOM 566 CB CYS A 38 120.779 -2.166 1.452 1.00 0.00 C ATOM 567 SG CYS A 38 120.020 -3.305 0.266 1.00 0.00 S ATOM 0 H CYS A 38 121.147 -4.002 3.290 1.00 0.00 H new ATOM 0 HA CYS A 38 122.761 -2.888 1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.124 -2.034 2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.908 -1.184 0.996 1.00 0.00 H new ATOM 572 N THR A 39 124.072 -1.496 2.713 1.00 0.00 N ATOM 573 CA THR A 39 124.761 -0.528 3.611 1.00 0.00 C ATOM 574 C THR A 39 124.885 0.825 2.910 1.00 0.00 C ATOM 575 O THR A 39 125.466 0.937 1.849 1.00 0.00 O ATOM 576 CB THR A 39 126.157 -1.055 3.956 1.00 0.00 C ATOM 577 OG1 THR A 39 126.037 -2.248 4.718 1.00 0.00 O ATOM 578 CG2 THR A 39 126.916 -0.003 4.766 1.00 0.00 C ATOM 0 H THR A 39 124.670 -1.953 2.024 1.00 0.00 H new ATOM 0 HA THR A 39 124.181 -0.409 4.526 1.00 0.00 H new ATOM 0 HB THR A 39 126.703 -1.265 3.037 1.00 0.00 H new ATOM 0 HG1 THR A 39 126.930 -2.587 4.938 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.909 -0.379 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 39 127.009 0.911 4.179 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.372 0.210 5.686 1.00 0.00 H new ATOM 586 N VAL A 40 124.354 1.856 3.507 1.00 0.00 N ATOM 587 CA VAL A 40 124.449 3.210 2.889 1.00 0.00 C ATOM 588 C VAL A 40 124.744 4.239 3.982 1.00 0.00 C ATOM 589 O VAL A 40 124.475 4.015 5.151 1.00 0.00 O ATOM 590 CB VAL A 40 123.126 3.552 2.198 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.927 2.639 0.987 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.969 3.348 3.180 1.00 0.00 C ATOM 0 H VAL A 40 123.858 1.820 4.397 1.00 0.00 H new ATOM 0 HA VAL A 40 125.250 3.223 2.150 1.00 0.00 H new ATOM 0 HB VAL A 40 123.150 4.591 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.985 2.885 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.749 2.781 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.906 1.600 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 40 121.027 3.591 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.949 2.309 3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.106 3.998 4.044 1.00 0.00 H new ATOM 602 N LYS A 41 125.286 5.369 3.619 1.00 0.00 N ATOM 603 CA LYS A 41 125.587 6.409 4.643 1.00 0.00 C ATOM 604 C LYS A 41 124.453 7.435 4.678 1.00 0.00 C ATOM 605 O LYS A 41 124.161 8.087 3.695 1.00 0.00 O ATOM 606 CB LYS A 41 126.901 7.108 4.290 1.00 0.00 C ATOM 607 CG LYS A 41 127.223 8.155 5.358 1.00 0.00 C ATOM 608 CD LYS A 41 128.543 8.846 5.012 1.00 0.00 C ATOM 609 CE LYS A 41 128.875 9.880 6.090 1.00 0.00 C ATOM 610 NZ LYS A 41 127.865 10.975 6.054 1.00 0.00 N ATOM 0 H LYS A 41 125.533 5.617 2.661 1.00 0.00 H new ATOM 0 HA LYS A 41 125.679 5.939 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 41 127.708 6.378 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.822 7.583 3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 41 126.420 8.890 5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.294 7.682 6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 41 129.343 8.110 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 41 128.468 9.331 4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 41 128.881 9.408 7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 41 129.873 10.286 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 128.245 11.814 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 127.647 11.214 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 126.997 10.663 6.534 1.00 0.00 H new ATOM 624 N ALA A 42 123.811 7.580 5.804 1.00 0.00 N ATOM 625 CA ALA A 42 122.692 8.560 5.901 1.00 0.00 C ATOM 626 C ALA A 42 123.233 9.911 6.367 1.00 0.00 C ATOM 627 O ALA A 42 124.275 9.991 6.989 1.00 0.00 O ATOM 628 CB ALA A 42 121.657 8.050 6.905 1.00 0.00 C ATOM 0 H ALA A 42 124.012 7.063 6.660 1.00 0.00 H new ATOM 0 HA ALA A 42 122.225 8.676 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.838 8.765 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.270 7.087 6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 42 122.125 7.934 7.883 1.00 0.00 H new ATOM 634 N HIS A 43 122.538 10.977 6.069 1.00 0.00 N ATOM 635 CA HIS A 43 123.017 12.327 6.492 1.00 0.00 C ATOM 636 C HIS A 43 121.871 13.092 7.161 1.00 0.00 C ATOM 637 O HIS A 43 120.710 12.862 6.886 1.00 0.00 O ATOM 638 CB HIS A 43 123.500 13.101 5.264 1.00 0.00 C ATOM 639 CG HIS A 43 124.389 14.231 5.701 1.00 0.00 C ATOM 640 ND1 HIS A 43 125.653 14.014 6.233 1.00 0.00 N ATOM 641 CD2 HIS A 43 124.214 15.593 5.692 1.00 0.00 C ATOM 642 CE1 HIS A 43 126.186 15.217 6.519 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.349 16.209 6.208 1.00 0.00 N ATOM 0 H HIS A 43 121.659 10.972 5.551 1.00 0.00 H new ATOM 0 HA HIS A 43 123.838 12.216 7.200 1.00 0.00 H new ATOM 0 HB2 HIS A 43 124.043 12.436 4.592 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.647 13.490 4.707 1.00 0.00 H new ATOM 0 HD2 HIS A 43 123.332 16.106 5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 43 127.167 15.361 6.946 1.00 0.00 H new ATOM 0 HE2 HIS A 43 125.508 17.210 6.324 1.00 0.00 H new ATOM 652 N ALA A 44 122.191 13.992 8.048 1.00 0.00 N ATOM 653 CA ALA A 44 121.127 14.767 8.751 1.00 0.00 C ATOM 654 C ALA A 44 120.233 15.467 7.726 1.00 0.00 C ATOM 655 O ALA A 44 119.086 15.763 7.990 1.00 0.00 O ATOM 656 CB ALA A 44 121.788 15.812 9.664 1.00 0.00 C ATOM 0 H ALA A 44 123.146 14.226 8.318 1.00 0.00 H new ATOM 0 HA ALA A 44 120.516 14.091 9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.017 16.383 10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.419 15.308 10.396 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.397 16.487 9.063 1.00 0.00 H new ATOM 662 N ASN A 45 120.753 15.750 6.564 1.00 0.00 N ATOM 663 CA ASN A 45 119.933 16.440 5.528 1.00 0.00 C ATOM 664 C ASN A 45 119.397 15.413 4.529 1.00 0.00 C ATOM 665 O ASN A 45 118.393 15.627 3.882 1.00 0.00 O ATOM 666 CB ASN A 45 120.800 17.461 4.790 1.00 0.00 C ATOM 667 CG ASN A 45 119.907 18.531 4.157 1.00 0.00 C ATOM 668 OD1 ASN A 45 118.881 18.884 4.704 1.00 0.00 O ATOM 669 ND2 ASN A 45 120.257 19.067 3.020 1.00 0.00 N ATOM 0 H ASN A 45 121.710 15.533 6.287 1.00 0.00 H new ATOM 0 HA ASN A 45 119.097 16.949 6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.504 17.923 5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.390 16.963 4.020 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.669 19.782 2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.118 18.771 2.560 1.00 0.00 H new ATOM 676 N ASP A 46 120.069 14.302 4.398 1.00 0.00 N ATOM 677 CA ASP A 46 119.612 13.262 3.434 1.00 0.00 C ATOM 678 C ASP A 46 118.386 12.533 3.992 1.00 0.00 C ATOM 679 O ASP A 46 118.338 12.182 5.155 1.00 0.00 O ATOM 680 CB ASP A 46 120.737 12.251 3.210 1.00 0.00 C ATOM 681 CG ASP A 46 121.856 12.901 2.393 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.615 13.952 1.824 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.936 12.334 2.349 1.00 0.00 O ATOM 0 H ASP A 46 120.915 14.070 4.918 1.00 0.00 H new ATOM 0 HA ASP A 46 119.348 13.741 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.126 11.906 4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.353 11.375 2.688 1.00 0.00 H new ATOM 688 N LEU A 47 117.401 12.289 3.169 1.00 0.00 N ATOM 689 CA LEU A 47 116.191 11.565 3.652 1.00 0.00 C ATOM 690 C LEU A 47 116.512 10.074 3.713 1.00 0.00 C ATOM 691 O LEU A 47 117.273 9.566 2.908 1.00 0.00 O ATOM 692 CB LEU A 47 115.025 11.796 2.687 1.00 0.00 C ATOM 693 CG LEU A 47 114.734 13.294 2.573 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.571 13.510 1.602 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.357 13.849 3.947 1.00 0.00 C ATOM 0 H LEU A 47 117.383 12.559 2.186 1.00 0.00 H new ATOM 0 HA LEU A 47 115.910 11.932 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.267 11.388 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.138 11.270 3.041 1.00 0.00 H new ATOM 0 HG LEU A 47 115.621 13.810 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.360 14.576 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.837 13.114 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.686 12.994 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 47 114.150 14.916 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.470 13.335 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 47 115.182 13.692 4.642 1.00 0.00 H new ATOM 707 N ILE A 48 115.949 9.360 4.655 1.00 0.00 N ATOM 708 CA ILE A 48 116.238 7.896 4.752 1.00 0.00 C ATOM 709 C ILE A 48 114.939 7.090 4.646 1.00 0.00 C ATOM 710 O ILE A 48 113.898 7.497 5.120 1.00 0.00 O ATOM 711 CB ILE A 48 116.902 7.606 6.100 1.00 0.00 C ATOM 712 CG1 ILE A 48 115.990 8.081 7.236 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.240 8.339 6.183 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.562 7.622 8.581 1.00 0.00 C ATOM 0 H ILE A 48 115.305 9.724 5.357 1.00 0.00 H new ATOM 0 HA ILE A 48 116.901 7.608 3.936 1.00 0.00 H new ATOM 0 HB ILE A 48 117.070 6.533 6.193 1.00 0.00 H new ATOM 0 HG12 ILE A 48 115.905 9.168 7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.985 7.680 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.710 8.130 7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.892 7.998 5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.074 9.412 6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.912 7.961 9.388 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.624 6.534 8.598 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.558 8.044 8.716 1.00 0.00 H new ATOM 726 N GLY A 49 115.003 5.946 4.020 1.00 0.00 N ATOM 727 CA GLY A 49 113.781 5.102 3.876 1.00 0.00 C ATOM 728 C GLY A 49 114.119 3.861 3.047 1.00 0.00 C ATOM 729 O GLY A 49 115.261 3.620 2.718 1.00 0.00 O ATOM 0 H GLY A 49 115.849 5.559 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.410 4.808 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.987 5.671 3.393 1.00 0.00 H new ATOM 733 N PHE A 50 113.138 3.068 2.706 1.00 0.00 N ATOM 734 CA PHE A 50 113.417 1.847 1.894 1.00 0.00 C ATOM 735 C PHE A 50 112.099 1.212 1.443 1.00 0.00 C ATOM 736 O PHE A 50 111.030 1.598 1.879 1.00 0.00 O ATOM 737 CB PHE A 50 114.219 0.844 2.723 1.00 0.00 C ATOM 738 CG PHE A 50 113.381 0.356 3.878 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.395 1.047 5.095 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.592 -0.792 3.733 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.620 0.589 6.167 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.818 -1.249 4.805 1.00 0.00 C ATOM 743 CZ PHE A 50 111.831 -0.559 6.022 1.00 0.00 C ATOM 0 H PHE A 50 112.159 3.212 2.953 1.00 0.00 H new ATOM 0 HA PHE A 50 113.998 2.128 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.523 0.003 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.131 1.311 3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 50 114.003 1.933 5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.581 -1.325 2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.631 1.121 7.107 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.210 -2.135 4.693 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.233 -0.911 6.849 1.00 0.00 H new ATOM 753 N LYS A 51 112.167 0.239 0.573 1.00 0.00 N ATOM 754 CA LYS A 51 110.916 -0.422 0.095 1.00 0.00 C ATOM 755 C LYS A 51 111.186 -1.899 -0.192 1.00 0.00 C ATOM 756 O LYS A 51 112.252 -2.270 -0.643 1.00 0.00 O ATOM 757 CB LYS A 51 110.434 0.271 -1.179 1.00 0.00 C ATOM 758 CG LYS A 51 109.180 -0.428 -1.705 1.00 0.00 C ATOM 759 CD LYS A 51 108.671 0.308 -2.947 1.00 0.00 C ATOM 760 CE LYS A 51 107.394 -0.366 -3.454 1.00 0.00 C ATOM 761 NZ LYS A 51 107.716 -1.734 -3.949 1.00 0.00 N ATOM 0 H LYS A 51 113.032 -0.126 0.173 1.00 0.00 H new ATOM 0 HA LYS A 51 110.149 -0.345 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.218 1.320 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.219 0.249 -1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.405 -1.466 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.408 -0.442 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.473 1.353 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.433 0.299 -3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 51 106.657 -0.422 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 51 106.951 0.227 -4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 106.937 -2.080 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 108.593 -1.704 -4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 107.843 -2.375 -3.140 1.00 0.00 H new ATOM 775 N CYS A 52 110.221 -2.747 0.056 1.00 0.00 N ATOM 776 CA CYS A 52 110.397 -4.203 -0.206 1.00 0.00 C ATOM 777 C CYS A 52 109.262 -4.682 -1.123 1.00 0.00 C ATOM 778 O CYS A 52 108.176 -4.136 -1.099 1.00 0.00 O ATOM 779 CB CYS A 52 110.332 -4.965 1.125 1.00 0.00 C ATOM 780 SG CYS A 52 111.769 -4.540 2.143 1.00 0.00 S ATOM 0 H CYS A 52 109.309 -2.487 0.433 1.00 0.00 H new ATOM 0 HA CYS A 52 111.360 -4.384 -0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.413 -4.714 1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.310 -6.039 0.940 1.00 0.00 H new ATOM 785 N PRO A 53 109.495 -5.697 -1.918 1.00 0.00 N ATOM 786 CA PRO A 53 108.460 -6.242 -2.844 1.00 0.00 C ATOM 787 C PRO A 53 107.142 -6.545 -2.118 1.00 0.00 C ATOM 788 O PRO A 53 107.117 -6.782 -0.929 1.00 0.00 O ATOM 789 CB PRO A 53 109.088 -7.531 -3.407 1.00 0.00 C ATOM 790 CG PRO A 53 110.314 -7.784 -2.587 1.00 0.00 C ATOM 791 CD PRO A 53 110.756 -6.436 -2.035 1.00 0.00 C ATOM 0 HA PRO A 53 108.200 -5.526 -3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.392 -8.367 -3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.341 -7.414 -4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.101 -8.483 -1.778 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.101 -8.230 -3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.254 -6.539 -1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.456 -5.936 -2.704 1.00 0.00 H new ATOM 799 N SER A 54 106.050 -6.520 -2.831 1.00 0.00 N ATOM 800 CA SER A 54 104.727 -6.785 -2.195 1.00 0.00 C ATOM 801 C SER A 54 104.584 -8.268 -1.840 1.00 0.00 C ATOM 802 O SER A 54 103.658 -8.661 -1.159 1.00 0.00 O ATOM 803 CB SER A 54 103.615 -6.390 -3.167 1.00 0.00 C ATOM 804 OG SER A 54 103.673 -4.990 -3.403 1.00 0.00 O ATOM 0 H SER A 54 106.016 -6.327 -3.832 1.00 0.00 H new ATOM 0 HA SER A 54 104.654 -6.198 -1.279 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.726 -6.933 -4.105 1.00 0.00 H new ATOM 0 HB3 SER A 54 102.643 -6.661 -2.755 1.00 0.00 H new ATOM 0 HG SER A 54 102.962 -4.734 -4.027 1.00 0.00 H new ATOM 810 N ASN A 55 105.476 -9.099 -2.303 1.00 0.00 N ATOM 811 CA ASN A 55 105.363 -10.554 -1.993 1.00 0.00 C ATOM 812 C ASN A 55 106.182 -10.895 -0.745 1.00 0.00 C ATOM 813 O ASN A 55 106.172 -12.013 -0.281 1.00 0.00 O ATOM 814 CB ASN A 55 105.890 -11.366 -3.178 1.00 0.00 C ATOM 815 CG ASN A 55 104.995 -11.139 -4.396 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.800 -11.349 -4.335 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.525 -10.709 -5.507 1.00 0.00 N ATOM 0 H ASN A 55 106.275 -8.837 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 55 104.316 -10.797 -1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.914 -11.071 -3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.913 -12.426 -2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.936 -10.549 -6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.528 -10.533 -5.559 1.00 0.00 H new ATOM 824 N TYR A 56 106.888 -9.941 -0.199 1.00 0.00 N ATOM 825 CA TYR A 56 107.708 -10.212 1.022 1.00 0.00 C ATOM 826 C TYR A 56 107.040 -9.592 2.252 1.00 0.00 C ATOM 827 O TYR A 56 106.211 -8.710 2.142 1.00 0.00 O ATOM 828 CB TYR A 56 109.102 -9.623 0.827 1.00 0.00 C ATOM 829 CG TYR A 56 109.940 -10.581 0.010 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.615 -10.835 -1.327 1.00 0.00 C ATOM 831 CD2 TYR A 56 111.050 -11.203 0.590 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.402 -11.709 -2.084 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.837 -12.079 -0.166 1.00 0.00 C ATOM 834 CZ TYR A 56 111.511 -12.334 -1.503 1.00 0.00 C ATOM 835 OH TYR A 56 112.285 -13.200 -2.249 1.00 0.00 O ATOM 0 H TYR A 56 106.933 -8.983 -0.545 1.00 0.00 H new ATOM 0 HA TYR A 56 107.787 -11.288 1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 56 109.035 -8.659 0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.572 -9.444 1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.757 -10.356 -1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 56 111.300 -11.007 1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 56 110.154 -11.902 -3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.695 -12.558 0.282 1.00 0.00 H new ATOM 0 HH TYR A 56 113.015 -13.546 -1.695 1.00 0.00 H new ATOM 845 N SER A 57 107.398 -10.050 3.423 1.00 0.00 N ATOM 846 CA SER A 57 106.787 -9.488 4.663 1.00 0.00 C ATOM 847 C SER A 57 107.764 -8.502 5.307 1.00 0.00 C ATOM 848 O SER A 57 108.934 -8.789 5.460 1.00 0.00 O ATOM 849 CB SER A 57 106.492 -10.627 5.641 1.00 0.00 C ATOM 850 OG SER A 57 105.628 -10.154 6.666 1.00 0.00 O ATOM 0 H SER A 57 108.086 -10.788 3.574 1.00 0.00 H new ATOM 0 HA SER A 57 105.860 -8.971 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 57 106.029 -11.462 5.116 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.420 -10.999 6.075 1.00 0.00 H new ATOM 0 HG SER A 57 105.436 -10.882 7.293 1.00 0.00 H new ATOM 856 N VAL A 58 107.299 -7.341 5.684 1.00 0.00 N ATOM 857 CA VAL A 58 108.218 -6.349 6.308 1.00 0.00 C ATOM 858 C VAL A 58 108.274 -6.560 7.826 1.00 0.00 C ATOM 859 O VAL A 58 107.290 -6.427 8.528 1.00 0.00 O ATOM 860 CB VAL A 58 107.730 -4.929 6.002 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.296 -4.843 4.538 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.543 -4.580 6.904 1.00 0.00 C ATOM 0 H VAL A 58 106.329 -7.039 5.587 1.00 0.00 H new ATOM 0 HA VAL A 58 109.218 -6.486 5.895 1.00 0.00 H new ATOM 0 HB VAL A 58 108.541 -4.225 6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 58 106.949 -3.833 4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.141 -5.083 3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.488 -5.552 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.201 -3.569 6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.731 -5.285 6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.850 -4.637 7.948 1.00 0.00 H new ATOM 872 N GLU A 59 109.434 -6.871 8.331 1.00 0.00 N ATOM 873 CA GLU A 59 109.602 -7.078 9.797 1.00 0.00 C ATOM 874 C GLU A 59 110.751 -6.184 10.273 1.00 0.00 C ATOM 875 O GLU A 59 111.832 -6.228 9.717 1.00 0.00 O ATOM 876 CB GLU A 59 109.959 -8.540 10.081 1.00 0.00 C ATOM 877 CG GLU A 59 108.690 -9.398 10.079 1.00 0.00 C ATOM 878 CD GLU A 59 109.045 -10.838 9.695 1.00 0.00 C ATOM 879 OE1 GLU A 59 110.181 -11.226 9.916 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.176 -11.527 9.187 1.00 0.00 O ATOM 0 H GLU A 59 110.285 -6.992 7.783 1.00 0.00 H new ATOM 0 HA GLU A 59 108.676 -6.831 10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.657 -8.906 9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.461 -8.620 11.045 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.224 -9.378 11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.965 -8.991 9.374 1.00 0.00 H new ATOM 887 N PRO A 60 110.540 -5.372 11.278 1.00 0.00 N ATOM 888 CA PRO A 60 111.604 -4.468 11.786 1.00 0.00 C ATOM 889 C PRO A 60 112.615 -5.205 12.664 1.00 0.00 C ATOM 890 O PRO A 60 112.294 -5.653 13.742 1.00 0.00 O ATOM 891 CB PRO A 60 110.828 -3.447 12.617 1.00 0.00 C ATOM 892 CG PRO A 60 109.628 -4.185 13.109 1.00 0.00 C ATOM 893 CD PRO A 60 109.285 -5.218 12.037 1.00 0.00 C ATOM 0 HA PRO A 60 112.189 -4.028 10.978 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.429 -3.073 13.446 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.542 -2.584 12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.835 -4.670 14.063 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.793 -3.503 13.272 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.967 -6.162 12.479 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.471 -4.875 11.398 1.00 0.00 H new ATOM 901 N HIS A 61 113.834 -5.315 12.219 1.00 0.00 N ATOM 902 CA HIS A 61 114.866 -6.002 13.042 1.00 0.00 C ATOM 903 C HIS A 61 115.562 -4.951 13.905 1.00 0.00 C ATOM 904 O HIS A 61 116.088 -5.239 14.960 1.00 0.00 O ATOM 905 CB HIS A 61 115.883 -6.690 12.132 1.00 0.00 C ATOM 906 CG HIS A 61 116.635 -7.730 12.918 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.541 -8.597 12.321 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.631 -8.054 14.252 1.00 0.00 C ATOM 909 CE1 HIS A 61 118.039 -9.392 13.287 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.515 -9.100 14.479 1.00 0.00 N ATOM 0 H HIS A 61 114.161 -4.959 11.321 1.00 0.00 H new ATOM 0 HA HIS A 61 114.403 -6.760 13.674 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.375 -7.154 11.287 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.577 -5.955 11.723 1.00 0.00 H new ATOM 0 HD2 HIS A 61 116.032 -7.569 15.009 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.771 -10.168 13.118 1.00 0.00 H new ATOM 0 HE2 HIS A 61 117.721 -9.551 15.370 1.00 0.00 H new ATOM 919 N ASP A 62 115.556 -3.729 13.452 1.00 0.00 N ATOM 920 CA ASP A 62 116.195 -2.627 14.217 1.00 0.00 C ATOM 921 C ASP A 62 115.798 -1.296 13.572 1.00 0.00 C ATOM 922 O ASP A 62 116.592 -0.386 13.459 1.00 0.00 O ATOM 923 CB ASP A 62 117.717 -2.788 14.185 1.00 0.00 C ATOM 924 CG ASP A 62 118.365 -1.689 15.031 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.646 -0.813 15.480 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.570 -1.741 15.212 1.00 0.00 O ATOM 0 H ASP A 62 115.128 -3.445 12.571 1.00 0.00 H new ATOM 0 HA ASP A 62 115.864 -2.651 15.255 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.998 -3.769 14.568 1.00 0.00 H new ATOM 0 HB3 ASP A 62 118.078 -2.731 13.158 1.00 0.00 H new ATOM 931 N CYS A 63 114.568 -1.190 13.140 1.00 0.00 N ATOM 932 CA CYS A 63 114.099 0.067 12.487 1.00 0.00 C ATOM 933 C CYS A 63 114.178 1.227 13.483 1.00 0.00 C ATOM 934 O CYS A 63 114.973 1.207 14.401 1.00 0.00 O ATOM 935 CB CYS A 63 112.657 -0.119 12.007 1.00 0.00 C ATOM 936 SG CYS A 63 112.611 -1.400 10.728 1.00 0.00 S ATOM 0 H CYS A 63 113.865 -1.925 13.212 1.00 0.00 H new ATOM 0 HA CYS A 63 114.735 0.295 11.632 1.00 0.00 H new ATOM 0 HB2 CYS A 63 112.017 -0.401 12.843 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.270 0.820 11.611 1.00 0.00 H new ATOM 941 N PHE A 64 113.378 2.252 13.302 1.00 0.00 N ATOM 942 CA PHE A 64 113.441 3.418 14.239 1.00 0.00 C ATOM 943 C PHE A 64 112.184 3.494 15.125 1.00 0.00 C ATOM 944 O PHE A 64 112.278 3.447 16.333 1.00 0.00 O ATOM 945 CB PHE A 64 113.590 4.713 13.434 1.00 0.00 C ATOM 946 CG PHE A 64 112.710 4.667 12.210 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.082 3.887 11.109 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.526 5.409 12.174 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.266 3.848 9.971 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.710 5.371 11.037 1.00 0.00 C ATOM 951 CZ PHE A 64 111.080 4.591 9.935 1.00 0.00 C ATOM 0 H PHE A 64 112.690 2.331 12.553 1.00 0.00 H new ATOM 0 HA PHE A 64 114.304 3.287 14.892 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.320 5.568 14.053 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.630 4.849 13.139 1.00 0.00 H new ATOM 0 HD1 PHE A 64 113.998 3.315 11.137 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.241 6.012 13.023 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.552 3.245 9.122 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.795 5.944 11.010 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.451 4.562 9.058 1.00 0.00 H new ATOM 961 N VAL A 65 111.015 3.613 14.551 1.00 0.00 N ATOM 962 CA VAL A 65 109.790 3.700 15.411 1.00 0.00 C ATOM 963 C VAL A 65 109.883 2.638 16.511 1.00 0.00 C ATOM 964 O VAL A 65 110.152 2.940 17.661 1.00 0.00 O ATOM 965 CB VAL A 65 108.533 3.454 14.571 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.352 3.157 15.498 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.222 4.701 13.741 1.00 0.00 C ATOM 0 H VAL A 65 110.853 3.653 13.545 1.00 0.00 H new ATOM 0 HA VAL A 65 109.728 4.695 15.852 1.00 0.00 H new ATOM 0 HB VAL A 65 108.700 2.606 13.907 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.457 2.982 14.902 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.571 2.271 16.093 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.186 4.007 16.160 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.328 4.526 13.143 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.054 5.548 14.406 1.00 0.00 H new ATOM 0 HG23 VAL A 65 109.062 4.918 13.082 1.00 0.00 H new ATOM 977 N SER A 66 109.690 1.398 16.159 1.00 0.00 N ATOM 978 CA SER A 66 109.788 0.304 17.165 1.00 0.00 C ATOM 979 C SER A 66 110.535 -0.866 16.528 1.00 0.00 C ATOM 980 O SER A 66 110.231 -1.274 15.425 1.00 0.00 O ATOM 981 CB SER A 66 108.384 -0.144 17.581 1.00 0.00 C ATOM 982 OG SER A 66 108.491 -1.171 18.558 1.00 0.00 O ATOM 0 H SER A 66 109.467 1.093 15.211 1.00 0.00 H new ATOM 0 HA SER A 66 110.320 0.653 18.050 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.824 0.700 17.983 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.833 -0.507 16.713 1.00 0.00 H new ATOM 0 HG SER A 66 107.594 -1.460 18.829 1.00 0.00 H new ATOM 988 N ALA A 67 111.518 -1.406 17.194 1.00 0.00 N ATOM 989 CA ALA A 67 112.276 -2.536 16.585 1.00 0.00 C ATOM 990 C ALA A 67 113.243 -3.143 17.605 1.00 0.00 C ATOM 991 O ALA A 67 113.332 -2.703 18.734 1.00 0.00 O ATOM 992 CB ALA A 67 113.072 -2.012 15.392 1.00 0.00 C ATOM 0 H ALA A 67 111.827 -1.119 18.123 1.00 0.00 H new ATOM 0 HA ALA A 67 111.573 -3.305 16.265 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.630 -2.831 14.939 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.388 -1.588 14.656 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.766 -1.242 15.728 1.00 0.00 H new ATOM 998 N PHE A 68 113.960 -4.158 17.207 1.00 0.00 N ATOM 999 CA PHE A 68 114.921 -4.813 18.140 1.00 0.00 C ATOM 1000 C PHE A 68 116.302 -4.182 17.938 1.00 0.00 C ATOM 1001 O PHE A 68 116.809 -4.121 16.836 1.00 0.00 O ATOM 1002 CB PHE A 68 115.000 -6.310 17.830 1.00 0.00 C ATOM 1003 CG PHE A 68 113.610 -6.867 17.607 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.951 -6.625 16.396 1.00 0.00 C ATOM 1005 CD2 PHE A 68 112.989 -7.632 18.601 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.669 -7.149 16.177 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.707 -8.154 18.383 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.048 -7.912 17.169 1.00 0.00 C ATOM 0 H PHE A 68 113.922 -4.564 16.272 1.00 0.00 H new ATOM 0 HA PHE A 68 114.590 -4.677 19.170 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.613 -6.474 16.944 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.483 -6.835 18.654 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.430 -6.034 15.630 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.497 -7.820 19.535 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.162 -6.963 15.242 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.226 -8.743 19.150 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.060 -8.315 17.001 1.00 0.00 H new ATOM 1018 N ASN A 69 116.913 -3.703 18.985 1.00 0.00 N ATOM 1019 CA ASN A 69 118.255 -3.071 18.836 1.00 0.00 C ATOM 1020 C ASN A 69 119.305 -4.145 18.549 1.00 0.00 C ATOM 1021 O ASN A 69 118.987 -5.291 18.306 1.00 0.00 O ATOM 1022 CB ASN A 69 118.622 -2.335 20.126 1.00 0.00 C ATOM 1023 CG ASN A 69 117.760 -1.079 20.259 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.191 -0.614 19.292 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.639 -0.506 21.426 1.00 0.00 N ATOM 0 H ASN A 69 116.543 -3.721 19.935 1.00 0.00 H new ATOM 0 HA ASN A 69 118.226 -2.363 18.007 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.468 -2.987 20.986 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.678 -2.065 20.115 1.00 0.00 H new ATOM 0 HD21 ASN A 69 117.067 0.332 21.526 1.00 0.00 H new ATOM 0 HD22 ASN A 69 118.117 -0.897 22.238 1.00 0.00 H new ATOM 1032 N LEU A 70 120.559 -3.782 18.574 1.00 0.00 N ATOM 1033 CA LEU A 70 121.631 -4.778 18.302 1.00 0.00 C ATOM 1034 C LEU A 70 121.626 -5.832 19.411 1.00 0.00 C ATOM 1035 O LEU A 70 122.137 -6.923 19.248 1.00 0.00 O ATOM 1036 CB LEU A 70 122.991 -4.073 18.264 1.00 0.00 C ATOM 1037 CG LEU A 70 123.188 -3.412 16.897 1.00 0.00 C ATOM 1038 CD1 LEU A 70 122.132 -2.322 16.700 1.00 0.00 C ATOM 1039 CD2 LEU A 70 124.582 -2.783 16.827 1.00 0.00 C ATOM 0 H LEU A 70 120.886 -2.836 18.772 1.00 0.00 H new ATOM 0 HA LEU A 70 121.452 -5.258 17.340 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.046 -3.323 19.053 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.790 -4.791 18.451 1.00 0.00 H new ATOM 0 HG LEU A 70 123.088 -4.165 16.115 1.00 0.00 H new ATOM 0 HD11 LEU A 70 122.272 -1.851 15.727 1.00 0.00 H new ATOM 0 HD12 LEU A 70 121.138 -2.766 16.749 1.00 0.00 H new ATOM 0 HD13 LEU A 70 122.233 -1.571 17.484 1.00 0.00 H new ATOM 0 HD21 LEU A 70 124.721 -2.313 15.853 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.682 -2.032 17.610 1.00 0.00 H new ATOM 0 HD23 LEU A 70 125.337 -3.556 16.968 1.00 0.00 H new ATOM 1051 N SER A 71 121.044 -5.516 20.536 1.00 0.00 N ATOM 1052 CA SER A 71 120.992 -6.499 21.653 1.00 0.00 C ATOM 1053 C SER A 71 119.808 -7.440 21.428 1.00 0.00 C ATOM 1054 O SER A 71 119.635 -8.420 22.127 1.00 0.00 O ATOM 1055 CB SER A 71 120.807 -5.759 22.977 1.00 0.00 C ATOM 1056 OG SER A 71 121.912 -4.889 23.186 1.00 0.00 O ATOM 0 H SER A 71 120.602 -4.617 20.729 1.00 0.00 H new ATOM 0 HA SER A 71 121.920 -7.070 21.686 1.00 0.00 H new ATOM 0 HB2 SER A 71 119.878 -5.189 22.962 1.00 0.00 H new ATOM 0 HB3 SER A 71 120.730 -6.472 23.798 1.00 0.00 H new ATOM 0 HG SER A 71 121.796 -4.411 24.034 1.00 0.00 H new ATOM 1062 N GLY A 72 118.990 -7.145 20.453 1.00 0.00 N ATOM 1063 CA GLY A 72 117.814 -8.012 20.170 1.00 0.00 C ATOM 1064 C GLY A 72 116.678 -7.660 21.131 1.00 0.00 C ATOM 1065 O GLY A 72 115.761 -8.431 21.333 1.00 0.00 O ATOM 0 H GLY A 72 119.088 -6.337 19.839 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.488 -7.875 19.139 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.087 -9.061 20.282 1.00 0.00 H new ATOM 1069 N LYS A 73 116.732 -6.498 21.725 1.00 0.00 N ATOM 1070 CA LYS A 73 115.653 -6.091 22.675 1.00 0.00 C ATOM 1071 C LYS A 73 114.733 -5.077 21.986 1.00 0.00 C ATOM 1072 O LYS A 73 115.188 -4.181 21.304 1.00 0.00 O ATOM 1073 CB LYS A 73 116.285 -5.455 23.917 1.00 0.00 C ATOM 1074 CG LYS A 73 117.087 -6.512 24.684 1.00 0.00 C ATOM 1075 CD LYS A 73 117.755 -5.865 25.901 1.00 0.00 C ATOM 1076 CE LYS A 73 118.616 -6.903 26.625 1.00 0.00 C ATOM 1077 NZ LYS A 73 117.752 -8.021 27.100 1.00 0.00 N ATOM 0 H LYS A 73 117.476 -5.812 21.594 1.00 0.00 H new ATOM 0 HA LYS A 73 115.073 -6.964 22.973 1.00 0.00 H new ATOM 0 HB2 LYS A 73 116.936 -4.631 23.625 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.509 -5.036 24.558 1.00 0.00 H new ATOM 0 HG2 LYS A 73 116.430 -7.321 25.004 1.00 0.00 H new ATOM 0 HG3 LYS A 73 117.842 -6.953 24.033 1.00 0.00 H new ATOM 0 HD2 LYS A 73 118.371 -5.023 25.586 1.00 0.00 H new ATOM 0 HD3 LYS A 73 116.997 -5.470 26.578 1.00 0.00 H new ATOM 0 HE2 LYS A 73 119.386 -7.284 25.954 1.00 0.00 H new ATOM 0 HE3 LYS A 73 119.128 -6.441 27.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 118.253 -8.559 27.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 116.870 -7.635 27.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 117.529 -8.650 26.302 1.00 0.00 H new ATOM 1091 N ASN A 74 113.445 -5.215 22.153 1.00 0.00 N ATOM 1092 CA ASN A 74 112.502 -4.262 21.496 1.00 0.00 C ATOM 1093 C ASN A 74 112.489 -2.932 22.251 1.00 0.00 C ATOM 1094 O ASN A 74 112.060 -2.853 23.386 1.00 0.00 O ATOM 1095 CB ASN A 74 111.093 -4.859 21.488 1.00 0.00 C ATOM 1096 CG ASN A 74 110.150 -3.930 20.722 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.475 -2.786 20.476 1.00 0.00 O ATOM 1098 ND2 ASN A 74 108.987 -4.376 20.330 1.00 0.00 N ATOM 0 H ASN A 74 113.005 -5.944 22.714 1.00 0.00 H new ATOM 0 HA ASN A 74 112.830 -4.087 20.472 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.107 -5.845 21.023 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.738 -4.994 22.510 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.352 -3.764 19.818 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.713 -5.337 20.536 1.00 0.00 H new ATOM 1105 N GLU A 75 112.959 -1.883 21.627 1.00 0.00 N ATOM 1106 CA GLU A 75 112.980 -0.556 22.304 1.00 0.00 C ATOM 1107 C GLU A 75 112.703 0.557 21.287 1.00 0.00 C ATOM 1108 O GLU A 75 113.286 0.600 20.221 1.00 0.00 O ATOM 1109 CB GLU A 75 114.361 -0.324 22.928 1.00 0.00 C ATOM 1110 CG GLU A 75 114.603 -1.344 24.043 1.00 0.00 C ATOM 1111 CD GLU A 75 113.569 -1.144 25.153 1.00 0.00 C ATOM 1112 OE1 GLU A 75 112.991 -0.071 25.211 1.00 0.00 O ATOM 1113 OE2 GLU A 75 113.371 -2.069 25.924 1.00 0.00 O ATOM 0 H GLU A 75 113.329 -1.890 20.677 1.00 0.00 H new ATOM 0 HA GLU A 75 112.212 -0.542 23.077 1.00 0.00 H new ATOM 0 HB2 GLU A 75 115.135 -0.414 22.166 1.00 0.00 H new ATOM 0 HB3 GLU A 75 114.424 0.688 23.328 1.00 0.00 H new ATOM 0 HG2 GLU A 75 114.534 -2.356 23.645 1.00 0.00 H new ATOM 0 HG3 GLU A 75 115.610 -1.228 24.444 1.00 0.00 H new ATOM 1120 N ASN A 76 111.807 1.452 21.603 1.00 0.00 N ATOM 1121 CA ASN A 76 111.488 2.551 20.643 1.00 0.00 C ATOM 1122 C ASN A 76 112.753 3.365 20.368 1.00 0.00 C ATOM 1123 O ASN A 76 113.582 3.540 21.235 1.00 0.00 O ATOM 1124 CB ASN A 76 110.410 3.460 21.259 1.00 0.00 C ATOM 1125 CG ASN A 76 109.025 3.070 20.725 1.00 0.00 C ATOM 1126 OD1 ASN A 76 108.865 2.029 20.120 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.012 3.871 20.916 1.00 0.00 N ATOM 0 H ASN A 76 111.284 1.472 22.478 1.00 0.00 H new ATOM 0 HA ASN A 76 111.119 2.131 19.707 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.427 3.373 22.345 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.621 4.502 21.019 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.090 3.622 20.558 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.142 4.746 21.424 1.00 0.00 H new ATOM 1134 N LEU A 77 112.908 3.851 19.164 1.00 0.00 N ATOM 1135 CA LEU A 77 114.127 4.652 18.830 1.00 0.00 C ATOM 1136 C LEU A 77 113.799 6.151 18.866 1.00 0.00 C ATOM 1137 O LEU A 77 114.651 6.985 18.633 1.00 0.00 O ATOM 1138 CB LEU A 77 114.618 4.267 17.432 1.00 0.00 C ATOM 1139 CG LEU A 77 116.090 4.657 17.263 1.00 0.00 C ATOM 1140 CD1 LEU A 77 116.971 3.767 18.147 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.495 4.473 15.798 1.00 0.00 C ATOM 0 H LEU A 77 112.246 3.729 18.398 1.00 0.00 H new ATOM 0 HA LEU A 77 114.906 4.443 19.564 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.498 3.194 17.279 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.013 4.766 16.676 1.00 0.00 H new ATOM 0 HG LEU A 77 116.222 5.698 17.557 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.016 4.050 18.021 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.684 3.893 19.191 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.840 2.724 17.858 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.542 4.749 15.672 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.358 3.431 15.511 1.00 0.00 H new ATOM 0 HD23 LEU A 77 115.874 5.108 15.166 1.00 0.00 H new ATOM 1153 N GLU A 78 112.573 6.497 19.147 1.00 0.00 N ATOM 1154 CA GLU A 78 112.200 7.943 19.188 1.00 0.00 C ATOM 1155 C GLU A 78 112.905 8.628 20.359 1.00 0.00 C ATOM 1156 O GLU A 78 113.418 9.723 20.232 1.00 0.00 O ATOM 1157 CB GLU A 78 110.684 8.088 19.327 1.00 0.00 C ATOM 1158 CG GLU A 78 110.144 7.004 20.258 1.00 0.00 C ATOM 1159 CD GLU A 78 108.834 7.478 20.890 1.00 0.00 C ATOM 1160 OE1 GLU A 78 108.045 8.081 20.182 1.00 0.00 O ATOM 1161 OE2 GLU A 78 108.647 7.236 22.070 1.00 0.00 O ATOM 0 H GLU A 78 111.815 5.846 19.350 1.00 0.00 H new ATOM 0 HA GLU A 78 112.514 8.419 18.259 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.438 9.074 19.721 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.211 8.009 18.348 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.978 6.082 19.701 1.00 0.00 H new ATOM 0 HG3 GLU A 78 110.875 6.781 21.035 1.00 0.00 H new ATOM 1168 N ASN A 79 112.950 7.990 21.497 1.00 0.00 N ATOM 1169 CA ASN A 79 113.640 8.607 22.664 1.00 0.00 C ATOM 1170 C ASN A 79 115.129 8.762 22.339 1.00 0.00 C ATOM 1171 O ASN A 79 115.822 9.574 22.919 1.00 0.00 O ATOM 1172 CB ASN A 79 113.471 7.709 23.891 1.00 0.00 C ATOM 1173 CG ASN A 79 114.196 8.337 25.085 1.00 0.00 C ATOM 1174 OD1 ASN A 79 114.319 9.542 25.170 1.00 0.00 O ATOM 1175 ND2 ASN A 79 114.688 7.564 26.015 1.00 0.00 N ATOM 0 H ASN A 79 112.540 7.072 21.668 1.00 0.00 H new ATOM 0 HA ASN A 79 113.207 9.585 22.874 1.00 0.00 H new ATOM 0 HB2 ASN A 79 112.413 7.582 24.120 1.00 0.00 H new ATOM 0 HB3 ASN A 79 113.874 6.717 23.688 1.00 0.00 H new ATOM 0 HD21 ASN A 79 115.175 7.972 26.813 1.00 0.00 H new ATOM 0 HD22 ASN A 79 114.585 6.552 25.944 1.00 0.00 H new ATOM 1182 N LYS A 80 115.618 7.993 21.404 1.00 0.00 N ATOM 1183 CA LYS A 80 117.054 8.099 21.021 1.00 0.00 C ATOM 1184 C LYS A 80 117.215 9.183 19.953 1.00 0.00 C ATOM 1185 O LYS A 80 118.092 10.021 20.028 1.00 0.00 O ATOM 1186 CB LYS A 80 117.533 6.753 20.468 1.00 0.00 C ATOM 1187 CG LYS A 80 118.949 6.892 19.899 1.00 0.00 C ATOM 1188 CD LYS A 80 119.899 7.377 20.996 1.00 0.00 C ATOM 1189 CE LYS A 80 121.345 7.120 20.573 1.00 0.00 C ATOM 1190 NZ LYS A 80 122.272 7.688 21.592 1.00 0.00 N ATOM 0 H LYS A 80 115.083 7.294 20.888 1.00 0.00 H new ATOM 0 HA LYS A 80 117.649 8.362 21.895 1.00 0.00 H new ATOM 0 HB2 LYS A 80 117.522 6.002 21.258 1.00 0.00 H new ATOM 0 HB3 LYS A 80 116.852 6.408 19.690 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.290 5.934 19.507 1.00 0.00 H new ATOM 0 HG3 LYS A 80 118.950 7.596 19.066 1.00 0.00 H new ATOM 0 HD2 LYS A 80 119.747 8.441 21.179 1.00 0.00 H new ATOM 0 HD3 LYS A 80 119.686 6.859 21.931 1.00 0.00 H new ATOM 0 HE2 LYS A 80 121.518 6.049 20.466 1.00 0.00 H new ATOM 0 HE3 LYS A 80 121.536 7.573 19.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 123.255 7.512 21.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 122.113 8.713 21.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 122.096 7.236 22.512 1.00 0.00 H new ATOM 1204 N LEU A 81 116.376 9.162 18.954 1.00 0.00 N ATOM 1205 CA LEU A 81 116.465 10.181 17.867 1.00 0.00 C ATOM 1206 C LEU A 81 115.116 10.887 17.729 1.00 0.00 C ATOM 1207 O LEU A 81 114.087 10.254 17.594 1.00 0.00 O ATOM 1208 CB LEU A 81 116.814 9.482 16.550 1.00 0.00 C ATOM 1209 CG LEU A 81 117.031 10.523 15.449 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.297 11.331 15.742 1.00 0.00 C ATOM 1211 CD2 LEU A 81 117.182 9.810 14.104 1.00 0.00 C ATOM 0 H LEU A 81 115.627 8.478 18.842 1.00 0.00 H new ATOM 0 HA LEU A 81 117.236 10.913 18.107 1.00 0.00 H new ATOM 0 HB2 LEU A 81 117.714 8.880 16.675 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.012 8.801 16.266 1.00 0.00 H new ATOM 0 HG LEU A 81 116.175 11.197 15.415 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.447 12.070 14.955 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.191 11.838 16.701 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.156 10.661 15.778 1.00 0.00 H new ATOM 0 HD21 LEU A 81 117.337 10.548 13.317 1.00 0.00 H new ATOM 0 HD22 LEU A 81 118.038 9.136 14.143 1.00 0.00 H new ATOM 0 HD23 LEU A 81 116.279 9.237 13.892 1.00 0.00 H new ATOM 1223 N LYS A 82 115.103 12.192 17.757 1.00 0.00 N ATOM 1224 CA LYS A 82 113.809 12.920 17.622 1.00 0.00 C ATOM 1225 C LYS A 82 113.380 12.918 16.152 1.00 0.00 C ATOM 1226 O LYS A 82 113.624 13.858 15.421 1.00 0.00 O ATOM 1227 CB LYS A 82 113.987 14.363 18.104 1.00 0.00 C ATOM 1228 CG LYS A 82 114.450 14.364 19.563 1.00 0.00 C ATOM 1229 CD LYS A 82 113.332 13.823 20.458 1.00 0.00 C ATOM 1230 CE LYS A 82 113.577 14.262 21.903 1.00 0.00 C ATOM 1231 NZ LYS A 82 113.070 15.649 22.093 1.00 0.00 N ATOM 0 H LYS A 82 115.927 12.783 17.867 1.00 0.00 H new ATOM 0 HA LYS A 82 113.045 12.429 18.224 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.717 14.878 17.480 1.00 0.00 H new ATOM 0 HB3 LYS A 82 113.047 14.907 18.010 1.00 0.00 H new ATOM 0 HG2 LYS A 82 115.345 13.751 19.671 1.00 0.00 H new ATOM 0 HG3 LYS A 82 114.717 15.375 19.869 1.00 0.00 H new ATOM 0 HD2 LYS A 82 112.366 14.192 20.114 1.00 0.00 H new ATOM 0 HD3 LYS A 82 113.298 12.735 20.398 1.00 0.00 H new ATOM 0 HE2 LYS A 82 113.074 13.582 22.591 1.00 0.00 H new ATOM 0 HE3 LYS A 82 114.642 14.218 22.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 113.493 16.059 22.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 113.327 16.229 21.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 112.035 15.630 22.194 1.00 0.00 H new ATOM 1245 N LEU A 83 112.748 11.862 15.715 1.00 0.00 N ATOM 1246 CA LEU A 83 112.307 11.785 14.292 1.00 0.00 C ATOM 1247 C LEU A 83 110.996 12.554 14.107 1.00 0.00 C ATOM 1248 O LEU A 83 110.107 12.493 14.931 1.00 0.00 O ATOM 1249 CB LEU A 83 112.090 10.319 13.905 1.00 0.00 C ATOM 1250 CG LEU A 83 113.442 9.605 13.797 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.209 8.105 13.602 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.225 10.160 12.602 1.00 0.00 C ATOM 0 H LEU A 83 112.517 11.047 16.284 1.00 0.00 H new ATOM 0 HA LEU A 83 113.075 12.226 13.657 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.466 9.825 14.650 1.00 0.00 H new ATOM 0 HB3 LEU A 83 111.560 10.259 12.955 1.00 0.00 H new ATOM 0 HG LEU A 83 114.013 9.771 14.710 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.169 7.595 13.525 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.655 7.709 14.453 1.00 0.00 H new ATOM 0 HD13 LEU A 83 112.637 7.941 12.689 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.186 9.650 12.528 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.656 9.997 11.687 1.00 0.00 H new ATOM 0 HD23 LEU A 83 114.391 11.228 12.740 1.00 0.00 H new ATOM 1264 N THR A 84 110.875 13.273 13.022 1.00 0.00 N ATOM 1265 CA THR A 84 109.622 14.047 12.769 1.00 0.00 C ATOM 1266 C THR A 84 109.094 13.710 11.372 1.00 0.00 C ATOM 1267 O THR A 84 109.819 13.216 10.531 1.00 0.00 O ATOM 1268 CB THR A 84 109.919 15.546 12.852 1.00 0.00 C ATOM 1269 OG1 THR A 84 110.778 15.917 11.783 1.00 0.00 O ATOM 1270 CG2 THR A 84 110.597 15.865 14.186 1.00 0.00 C ATOM 0 H THR A 84 111.590 13.358 12.299 1.00 0.00 H new ATOM 0 HA THR A 84 108.875 13.785 13.518 1.00 0.00 H new ATOM 0 HB THR A 84 108.985 16.104 12.781 1.00 0.00 H new ATOM 0 HG1 THR A 84 110.968 16.877 11.834 1.00 0.00 H new ATOM 0 HG21 THR A 84 110.807 16.933 14.241 1.00 0.00 H new ATOM 0 HG22 THR A 84 109.937 15.582 15.006 1.00 0.00 H new ATOM 0 HG23 THR A 84 111.531 15.307 14.262 1.00 0.00 H new ATOM 1278 N ASN A 85 107.841 13.974 11.117 1.00 0.00 N ATOM 1279 CA ASN A 85 107.272 13.673 9.771 1.00 0.00 C ATOM 1280 C ASN A 85 107.509 12.199 9.435 1.00 0.00 C ATOM 1281 O ASN A 85 108.007 11.864 8.377 1.00 0.00 O ATOM 1282 CB ASN A 85 107.953 14.552 8.720 1.00 0.00 C ATOM 1283 CG ASN A 85 107.552 16.012 8.938 1.00 0.00 C ATOM 1284 OD1 ASN A 85 106.564 16.293 9.586 1.00 0.00 O ATOM 1285 ND2 ASN A 85 108.285 16.962 8.421 1.00 0.00 N ATOM 0 H ASN A 85 107.186 14.385 11.782 1.00 0.00 H new ATOM 0 HA ASN A 85 106.201 13.877 9.776 1.00 0.00 H new ATOM 0 HB2 ASN A 85 109.036 14.447 8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 85 107.665 14.230 7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 85 108.027 17.939 8.562 1.00 0.00 H new ATOM 0 HD22 ASN A 85 109.115 16.727 7.877 1.00 0.00 H new ATOM 1292 N ILE A 86 107.166 11.315 10.332 1.00 0.00 N ATOM 1293 CA ILE A 86 107.377 9.862 10.077 1.00 0.00 C ATOM 1294 C ILE A 86 106.272 9.322 9.162 1.00 0.00 C ATOM 1295 O ILE A 86 105.098 9.559 9.381 1.00 0.00 O ATOM 1296 CB ILE A 86 107.360 9.116 11.413 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.552 9.573 12.258 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.457 7.611 11.162 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.397 9.051 13.688 1.00 0.00 C ATOM 0 H ILE A 86 106.747 11.538 11.235 1.00 0.00 H new ATOM 0 HA ILE A 86 108.338 9.713 9.585 1.00 0.00 H new ATOM 0 HB ILE A 86 106.431 9.332 11.941 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.481 9.204 11.824 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.612 10.661 12.262 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.445 7.082 12.115 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.610 7.288 10.556 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.385 7.389 10.636 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.246 9.377 14.288 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.476 9.442 14.120 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.358 7.962 13.676 1.00 0.00 H new ATOM 1311 N ILE A 87 106.643 8.594 8.138 1.00 0.00 N ATOM 1312 CA ILE A 87 105.626 8.029 7.198 1.00 0.00 C ATOM 1313 C ILE A 87 105.724 6.501 7.204 1.00 0.00 C ATOM 1314 O ILE A 87 106.756 5.942 6.888 1.00 0.00 O ATOM 1315 CB ILE A 87 105.911 8.536 5.780 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.881 10.069 5.756 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.857 7.989 4.817 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.545 10.576 6.304 1.00 0.00 C ATOM 0 H ILE A 87 107.611 8.366 7.912 1.00 0.00 H new ATOM 0 HA ILE A 87 104.629 8.339 7.512 1.00 0.00 H new ATOM 0 HB ILE A 87 106.898 8.193 5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.702 10.466 6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.025 10.428 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.062 8.351 3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.888 6.899 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.869 8.326 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.533 11.666 6.283 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.731 10.192 5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.418 10.232 7.330 1.00 0.00 H new ATOM 1330 N MET A 88 104.666 5.815 7.565 1.00 0.00 N ATOM 1331 CA MET A 88 104.720 4.318 7.588 1.00 0.00 C ATOM 1332 C MET A 88 103.635 3.746 6.671 1.00 0.00 C ATOM 1333 O MET A 88 102.466 3.738 7.008 1.00 0.00 O ATOM 1334 CB MET A 88 104.498 3.817 9.016 1.00 0.00 C ATOM 1335 CG MET A 88 105.609 4.348 9.924 1.00 0.00 C ATOM 1336 SD MET A 88 105.292 3.842 11.634 1.00 0.00 S ATOM 1337 CE MET A 88 105.766 2.102 11.456 1.00 0.00 C ATOM 0 H MET A 88 103.773 6.223 7.843 1.00 0.00 H new ATOM 0 HA MET A 88 105.698 3.990 7.237 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.526 4.148 9.382 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.490 2.727 9.033 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.575 3.966 9.594 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.657 5.435 9.859 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.504 1.846 12.217 1.00 0.00 H new ATOM 0 HE2 MET A 88 104.886 1.471 11.578 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.194 1.941 10.467 1.00 0.00 H new ATOM 1347 N ASP A 89 104.015 3.253 5.519 1.00 0.00 N ATOM 1348 CA ASP A 89 103.010 2.664 4.582 1.00 0.00 C ATOM 1349 C ASP A 89 103.249 1.155 4.476 1.00 0.00 C ATOM 1350 O ASP A 89 104.144 0.709 3.786 1.00 0.00 O ATOM 1351 CB ASP A 89 103.167 3.305 3.201 1.00 0.00 C ATOM 1352 CG ASP A 89 102.651 4.744 3.240 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.977 5.085 4.197 1.00 0.00 O ATOM 1354 OD2 ASP A 89 102.936 5.480 2.310 1.00 0.00 O ATOM 0 H ASP A 89 104.979 3.233 5.187 1.00 0.00 H new ATOM 0 HA ASP A 89 102.003 2.851 4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.215 3.292 2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.615 2.730 2.458 1.00 0.00 H new ATOM 1359 N HIS A 90 102.465 0.367 5.159 1.00 0.00 N ATOM 1360 CA HIS A 90 102.650 -1.112 5.100 1.00 0.00 C ATOM 1361 C HIS A 90 102.093 -1.670 3.787 1.00 0.00 C ATOM 1362 O HIS A 90 102.581 -2.653 3.265 1.00 0.00 O ATOM 1363 CB HIS A 90 101.931 -1.764 6.281 1.00 0.00 C ATOM 1364 CG HIS A 90 102.636 -1.399 7.557 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.828 -1.998 7.940 1.00 0.00 N ATOM 1366 CD2 HIS A 90 102.332 -0.500 8.550 1.00 0.00 C ATOM 1367 CE1 HIS A 90 104.194 -1.457 9.118 1.00 0.00 C ATOM 1368 NE2 HIS A 90 103.316 -0.541 9.530 1.00 0.00 N ATOM 0 H HIS A 90 101.702 0.684 5.757 1.00 0.00 H new ATOM 0 HA HIS A 90 103.716 -1.335 5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.894 -1.432 6.318 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.915 -2.847 6.158 1.00 0.00 H new ATOM 0 HD2 HIS A 90 101.462 0.140 8.566 1.00 0.00 H new ATOM 0 HE1 HIS A 90 105.087 -1.731 9.661 1.00 0.00 H new ATOM 0 HE2 HIS A 90 103.358 0.013 10.385 1.00 0.00 H new ATOM 1377 N TYR A 91 101.066 -1.068 3.250 1.00 0.00 N ATOM 1378 CA TYR A 91 100.486 -1.588 1.978 1.00 0.00 C ATOM 1379 C TYR A 91 101.549 -1.560 0.879 1.00 0.00 C ATOM 1380 O TYR A 91 101.736 -2.522 0.161 1.00 0.00 O ATOM 1381 CB TYR A 91 99.295 -0.724 1.559 1.00 0.00 C ATOM 1382 CG TYR A 91 98.835 -1.145 0.183 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.123 -2.340 0.017 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.122 -0.341 -0.926 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.701 -2.730 -1.259 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.699 -0.731 -2.202 1.00 0.00 C ATOM 1387 CZ TYR A 91 97.989 -1.926 -2.368 1.00 0.00 C ATOM 1388 OH TYR A 91 97.572 -2.310 -3.627 1.00 0.00 O ATOM 0 H TYR A 91 100.606 -0.243 3.634 1.00 0.00 H new ATOM 0 HA TYR A 91 100.150 -2.613 2.132 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.482 -0.833 2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.578 0.329 1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.900 -2.960 0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.670 0.581 -0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.153 -3.652 -1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.920 -0.110 -3.058 1.00 0.00 H new ATOM 0 HH TYR A 91 97.853 -1.639 -4.284 1.00 0.00 H new ATOM 1398 N ASN A 92 102.253 -0.470 0.744 1.00 0.00 N ATOM 1399 CA ASN A 92 103.306 -0.394 -0.308 1.00 0.00 C ATOM 1400 C ASN A 92 104.635 -0.876 0.278 1.00 0.00 C ATOM 1401 O ASN A 92 105.656 -0.870 -0.380 1.00 0.00 O ATOM 1402 CB ASN A 92 103.447 1.052 -0.789 1.00 0.00 C ATOM 1403 CG ASN A 92 102.180 1.468 -1.538 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.609 0.685 -2.271 1.00 0.00 O ATOM 1405 ND2 ASN A 92 101.710 2.676 -1.382 1.00 0.00 N ATOM 0 H ASN A 92 102.145 0.369 1.314 1.00 0.00 H new ATOM 0 HA ASN A 92 103.029 -1.025 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.614 1.714 0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.315 1.146 -1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 92 100.864 2.962 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.189 3.334 -0.767 1.00 0.00 H new ATOM 1412 N ASN A 93 104.620 -1.310 1.510 1.00 0.00 N ATOM 1413 CA ASN A 93 105.870 -1.815 2.143 1.00 0.00 C ATOM 1414 C ASN A 93 106.991 -0.785 1.990 1.00 0.00 C ATOM 1415 O ASN A 93 108.100 -1.116 1.617 1.00 0.00 O ATOM 1416 CB ASN A 93 106.285 -3.127 1.474 1.00 0.00 C ATOM 1417 CG ASN A 93 105.309 -4.236 1.874 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.568 -4.094 2.827 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.279 -5.345 1.185 1.00 0.00 N ATOM 0 H ASN A 93 103.793 -1.336 2.106 1.00 0.00 H new ATOM 0 HA ASN A 93 105.688 -1.986 3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.293 -3.008 0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.298 -3.395 1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.634 -6.091 1.447 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.900 -5.465 0.385 1.00 0.00 H new ATOM 1426 N THR A 94 106.719 0.466 2.272 1.00 0.00 N ATOM 1427 CA THR A 94 107.778 1.512 2.140 1.00 0.00 C ATOM 1428 C THR A 94 107.792 2.387 3.399 1.00 0.00 C ATOM 1429 O THR A 94 106.756 2.755 3.925 1.00 0.00 O ATOM 1430 CB THR A 94 107.487 2.384 0.914 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.404 3.469 0.880 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.059 2.923 0.993 1.00 0.00 C ATOM 0 H THR A 94 105.811 0.806 2.587 1.00 0.00 H new ATOM 0 HA THR A 94 108.749 1.032 2.021 1.00 0.00 H new ATOM 0 HB THR A 94 107.595 1.786 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.005 4.249 1.319 1.00 0.00 H new ATOM 0 HG21 THR A 94 105.855 3.543 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.357 2.090 1.019 1.00 0.00 H new ATOM 0 HG23 THR A 94 105.945 3.521 1.897 1.00 0.00 H new ATOM 1440 N PHE A 95 108.961 2.711 3.891 1.00 0.00 N ATOM 1441 CA PHE A 95 109.044 3.556 5.122 1.00 0.00 C ATOM 1442 C PHE A 95 109.987 4.739 4.882 1.00 0.00 C ATOM 1443 O PHE A 95 111.024 4.603 4.263 1.00 0.00 O ATOM 1444 CB PHE A 95 109.581 2.705 6.276 1.00 0.00 C ATOM 1445 CG PHE A 95 108.632 1.560 6.541 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.789 0.348 5.857 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.596 1.710 7.469 1.00 0.00 C ATOM 1448 CE1 PHE A 95 107.909 -0.714 6.103 1.00 0.00 C ATOM 1449 CE2 PHE A 95 106.717 0.649 7.716 1.00 0.00 C ATOM 1450 CZ PHE A 95 106.874 -0.563 7.032 1.00 0.00 C ATOM 0 H PHE A 95 109.858 2.429 3.496 1.00 0.00 H new ATOM 0 HA PHE A 95 108.052 3.935 5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.571 2.321 6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.690 3.316 7.172 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.588 0.232 5.140 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.474 2.645 7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.030 -1.649 5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 95 105.918 0.765 8.434 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.196 -1.382 7.222 1.00 0.00 H new ATOM 1460 N TYR A 96 109.639 5.903 5.375 1.00 0.00 N ATOM 1461 CA TYR A 96 110.517 7.098 5.180 1.00 0.00 C ATOM 1462 C TYR A 96 110.642 7.861 6.502 1.00 0.00 C ATOM 1463 O TYR A 96 109.716 7.915 7.288 1.00 0.00 O ATOM 1464 CB TYR A 96 109.893 8.040 4.144 1.00 0.00 C ATOM 1465 CG TYR A 96 109.647 7.312 2.844 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.668 7.211 1.892 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.390 6.754 2.586 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.431 6.547 0.682 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.153 6.092 1.376 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.173 5.988 0.425 1.00 0.00 C ATOM 1471 OH TYR A 96 108.939 5.337 -0.768 1.00 0.00 O ATOM 0 H TYR A 96 108.784 6.077 5.904 1.00 0.00 H new ATOM 0 HA TYR A 96 111.496 6.761 4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.954 8.439 4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.554 8.889 3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.637 7.644 2.090 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.603 6.834 3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.218 6.466 -0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.183 5.662 1.177 1.00 0.00 H new ATOM 0 HH TYR A 96 108.737 4.394 -0.592 1.00 0.00 H new ATOM 1481 N SER A 97 111.774 8.465 6.752 1.00 0.00 N ATOM 1482 CA SER A 97 111.948 9.236 8.015 1.00 0.00 C ATOM 1483 C SER A 97 112.929 10.388 7.770 1.00 0.00 C ATOM 1484 O SER A 97 113.824 10.291 6.947 1.00 0.00 O ATOM 1485 CB SER A 97 112.499 8.323 9.113 1.00 0.00 C ATOM 1486 OG SER A 97 112.567 9.047 10.335 1.00 0.00 O ATOM 0 H SER A 97 112.586 8.457 6.134 1.00 0.00 H new ATOM 0 HA SER A 97 110.983 9.632 8.332 1.00 0.00 H new ATOM 0 HB2 SER A 97 111.859 7.448 9.230 1.00 0.00 H new ATOM 0 HB3 SER A 97 113.489 7.959 8.837 1.00 0.00 H new ATOM 0 HG SER A 97 111.794 8.820 10.893 1.00 0.00 H new ATOM 1492 N ARG A 98 112.771 11.483 8.471 1.00 0.00 N ATOM 1493 CA ARG A 98 113.697 12.637 8.268 1.00 0.00 C ATOM 1494 C ARG A 98 114.725 12.677 9.410 1.00 0.00 C ATOM 1495 O ARG A 98 114.387 12.531 10.566 1.00 0.00 O ATOM 1496 CB ARG A 98 112.897 13.947 8.257 1.00 0.00 C ATOM 1497 CG ARG A 98 111.898 13.937 7.095 1.00 0.00 C ATOM 1498 CD ARG A 98 111.200 15.294 7.015 1.00 0.00 C ATOM 1499 NE ARG A 98 110.051 15.201 6.059 1.00 0.00 N ATOM 1500 CZ ARG A 98 110.232 14.874 4.808 1.00 0.00 C ATOM 1501 NH1 ARG A 98 111.440 14.778 4.324 1.00 0.00 N ATOM 1502 NH2 ARG A 98 109.201 14.680 4.032 1.00 0.00 N ATOM 0 H ARG A 98 112.044 11.627 9.172 1.00 0.00 H new ATOM 0 HA ARG A 98 114.213 12.520 7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.368 14.068 9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.574 14.796 8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.414 13.725 6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 98 111.163 13.145 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.845 15.592 8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 98 111.903 16.059 6.684 1.00 0.00 H new ATOM 0 HE ARG A 98 109.107 15.397 6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 98 112.245 14.959 4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 98 111.579 14.522 3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 98 108.257 14.784 4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 98 109.339 14.424 3.054 1.00 0.00 H new ATOM 1516 N LEU A 99 115.974 12.867 9.084 1.00 0.00 N ATOM 1517 CA LEU A 99 117.033 12.914 10.132 1.00 0.00 C ATOM 1518 C LEU A 99 117.261 14.366 10.569 1.00 0.00 C ATOM 1519 O LEU A 99 117.299 15.258 9.742 1.00 0.00 O ATOM 1520 CB LEU A 99 118.343 12.371 9.559 1.00 0.00 C ATOM 1521 CG LEU A 99 118.210 10.880 9.246 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.522 10.374 8.641 1.00 0.00 C ATOM 1523 CD2 LEU A 99 117.916 10.106 10.536 1.00 0.00 C ATOM 0 H LEU A 99 116.309 12.993 8.129 1.00 0.00 H new ATOM 0 HA LEU A 99 116.716 12.312 10.984 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.605 12.917 8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.152 12.529 10.272 1.00 0.00 H new ATOM 0 HG LEU A 99 117.394 10.729 8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.433 9.311 8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.735 10.923 7.724 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.334 10.527 9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.822 9.044 10.310 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.731 10.255 11.244 1.00 0.00 H new ATOM 0 HD23 LEU A 99 116.985 10.468 10.973 1.00 0.00 H new ATOM 1535 N PRO A 100 117.441 14.614 11.845 1.00 0.00 N ATOM 1536 CA PRO A 100 117.697 15.988 12.348 1.00 0.00 C ATOM 1537 C PRO A 100 118.744 16.706 11.494 1.00 0.00 C ATOM 1538 O PRO A 100 119.367 16.111 10.640 1.00 0.00 O ATOM 1539 CB PRO A 100 118.226 15.765 13.766 1.00 0.00 C ATOM 1540 CG PRO A 100 117.643 14.464 14.204 1.00 0.00 C ATOM 1541 CD PRO A 100 117.418 13.629 12.941 1.00 0.00 C ATOM 0 HA PRO A 100 116.805 16.614 12.317 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.315 15.732 13.779 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.924 16.575 14.430 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.316 13.951 14.891 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.704 14.621 14.735 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.198 12.877 12.817 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.467 13.098 12.979 1.00 0.00 H new ATOM 1549 N SER A 101 118.937 17.975 11.705 1.00 0.00 N ATOM 1550 CA SER A 101 119.940 18.713 10.891 1.00 0.00 C ATOM 1551 C SER A 101 121.347 18.447 11.436 1.00 0.00 C ATOM 1552 O SER A 101 122.335 18.780 10.814 1.00 0.00 O ATOM 1553 CB SER A 101 119.645 20.212 10.955 1.00 0.00 C ATOM 1554 OG SER A 101 118.588 20.520 10.054 1.00 0.00 O ATOM 0 H SER A 101 118.446 18.533 12.404 1.00 0.00 H new ATOM 0 HA SER A 101 119.884 18.373 9.857 1.00 0.00 H new ATOM 0 HB2 SER A 101 119.368 20.497 11.970 1.00 0.00 H new ATOM 0 HB3 SER A 101 120.537 20.782 10.696 1.00 0.00 H new ATOM 0 HG SER A 101 118.394 21.480 10.093 1.00 0.00 H new ATOM 1560 N LEU A 102 121.444 17.868 12.604 1.00 0.00 N ATOM 1561 CA LEU A 102 122.790 17.605 13.196 1.00 0.00 C ATOM 1562 C LEU A 102 122.854 16.191 13.780 1.00 0.00 C ATOM 1563 O LEU A 102 121.995 15.780 14.534 1.00 0.00 O ATOM 1564 CB LEU A 102 123.047 18.626 14.307 1.00 0.00 C ATOM 1565 CG LEU A 102 124.411 18.370 14.951 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.503 18.414 13.880 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.684 19.452 15.999 1.00 0.00 C ATOM 0 H LEU A 102 120.653 17.567 13.172 1.00 0.00 H new ATOM 0 HA LEU A 102 123.547 17.693 12.417 1.00 0.00 H new ATOM 0 HB2 LEU A 102 123.013 19.636 13.898 1.00 0.00 H new ATOM 0 HB3 LEU A 102 122.262 18.560 15.061 1.00 0.00 H new ATOM 0 HG LEU A 102 124.411 17.389 15.425 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.473 18.231 14.342 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.308 17.647 13.130 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.507 19.395 13.404 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.655 19.274 16.461 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.684 20.431 15.520 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.908 19.422 16.763 1.00 0.00 H new ATOM 1579 N ILE A 103 123.883 15.451 13.453 1.00 0.00 N ATOM 1580 CA ILE A 103 124.033 14.072 14.007 1.00 0.00 C ATOM 1581 C ILE A 103 125.525 13.771 14.170 1.00 0.00 C ATOM 1582 O ILE A 103 126.217 13.477 13.216 1.00 0.00 O ATOM 1583 CB ILE A 103 123.406 13.046 13.059 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.885 13.218 13.046 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.754 11.633 13.535 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.279 12.315 11.972 1.00 0.00 C ATOM 0 H ILE A 103 124.629 15.745 12.823 1.00 0.00 H new ATOM 0 HA ILE A 103 123.526 14.010 14.970 1.00 0.00 H new ATOM 0 HB ILE A 103 123.796 13.199 12.053 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.472 12.967 14.023 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.628 14.259 12.849 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.308 10.902 12.861 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.837 11.508 13.542 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.365 11.482 14.542 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.196 12.437 11.963 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.683 12.587 10.997 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.525 11.276 12.189 1.00 0.00 H new ATOM 1598 N SER A 104 126.036 13.846 15.372 1.00 0.00 N ATOM 1599 CA SER A 104 127.487 13.571 15.584 1.00 0.00 C ATOM 1600 C SER A 104 127.676 12.145 16.105 1.00 0.00 C ATOM 1601 O SER A 104 128.785 11.683 16.286 1.00 0.00 O ATOM 1602 CB SER A 104 128.046 14.563 16.605 1.00 0.00 C ATOM 1603 OG SER A 104 129.165 13.981 17.262 1.00 0.00 O ATOM 0 H SER A 104 125.512 14.085 16.214 1.00 0.00 H new ATOM 0 HA SER A 104 128.016 13.679 14.637 1.00 0.00 H new ATOM 0 HB2 SER A 104 128.342 15.487 16.107 1.00 0.00 H new ATOM 0 HB3 SER A 104 127.278 14.825 17.333 1.00 0.00 H new ATOM 0 HG SER A 104 129.452 13.182 16.773 1.00 0.00 H new ATOM 1609 N ASP A 105 126.603 11.445 16.352 1.00 0.00 N ATOM 1610 CA ASP A 105 126.723 10.052 16.868 1.00 0.00 C ATOM 1611 C ASP A 105 126.937 9.080 15.704 1.00 0.00 C ATOM 1612 O ASP A 105 126.545 9.338 14.585 1.00 0.00 O ATOM 1613 CB ASP A 105 125.447 9.679 17.623 1.00 0.00 C ATOM 1614 CG ASP A 105 125.457 10.331 19.005 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.471 10.908 19.360 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.448 10.241 19.686 1.00 0.00 O ATOM 0 H ASP A 105 125.648 11.778 16.219 1.00 0.00 H new ATOM 0 HA ASP A 105 127.577 9.990 17.543 1.00 0.00 H new ATOM 0 HB2 ASP A 105 124.572 10.007 17.062 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.375 8.596 17.722 1.00 0.00 H new ATOM 1621 N ASN A 106 127.549 7.958 15.968 1.00 0.00 N ATOM 1622 CA ASN A 106 127.791 6.953 14.892 1.00 0.00 C ATOM 1623 C ASN A 106 126.800 5.797 15.052 1.00 0.00 C ATOM 1624 O ASN A 106 127.119 4.656 14.790 1.00 0.00 O ATOM 1625 CB ASN A 106 129.218 6.412 15.005 1.00 0.00 C ATOM 1626 CG ASN A 106 130.217 7.488 14.579 1.00 0.00 C ATOM 1627 OD1 ASN A 106 129.860 8.440 13.915 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.468 7.374 14.936 1.00 0.00 N ATOM 0 H ASN A 106 127.895 7.692 16.890 1.00 0.00 H new ATOM 0 HA ASN A 106 127.658 7.424 13.918 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.419 6.102 16.031 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.332 5.528 14.377 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.145 8.084 14.657 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.768 6.575 15.494 1.00 0.00 H new ATOM 1635 N TRP A 107 125.616 6.077 15.514 1.00 0.00 N ATOM 1636 CA TRP A 107 124.619 4.988 15.728 1.00 0.00 C ATOM 1637 C TRP A 107 124.222 4.356 14.392 1.00 0.00 C ATOM 1638 O TRP A 107 124.264 4.983 13.352 1.00 0.00 O ATOM 1639 CB TRP A 107 123.374 5.554 16.418 1.00 0.00 C ATOM 1640 CG TRP A 107 122.768 6.632 15.575 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.291 7.866 15.394 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.526 6.604 14.813 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.461 8.592 14.566 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.356 7.860 14.180 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.541 5.622 14.610 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.251 8.129 13.375 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.426 5.892 13.800 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.281 7.142 13.185 1.00 0.00 C ATOM 0 H TRP A 107 125.292 7.014 15.754 1.00 0.00 H new ATOM 0 HA TRP A 107 125.070 4.222 16.359 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.647 4.759 16.584 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.640 5.953 17.397 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.212 8.226 15.829 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.641 9.553 14.274 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.642 4.655 15.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.145 9.094 12.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.675 5.130 13.650 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.420 7.343 12.565 1.00 0.00 H new ATOM 1659 N LYS A 108 123.841 3.107 14.427 1.00 0.00 N ATOM 1660 CA LYS A 108 123.439 2.396 13.182 1.00 0.00 C ATOM 1661 C LYS A 108 122.102 1.698 13.424 1.00 0.00 C ATOM 1662 O LYS A 108 121.792 1.297 14.530 1.00 0.00 O ATOM 1663 CB LYS A 108 124.505 1.356 12.825 1.00 0.00 C ATOM 1664 CG LYS A 108 124.065 0.564 11.589 1.00 0.00 C ATOM 1665 CD LYS A 108 125.092 -0.526 11.283 1.00 0.00 C ATOM 1666 CE LYS A 108 126.303 0.086 10.577 1.00 0.00 C ATOM 1667 NZ LYS A 108 127.212 -1.001 10.115 1.00 0.00 N ATOM 0 H LYS A 108 123.791 2.544 15.276 1.00 0.00 H new ATOM 0 HA LYS A 108 123.341 3.106 12.361 1.00 0.00 H new ATOM 0 HB2 LYS A 108 125.457 1.850 12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 108 124.662 0.679 13.665 1.00 0.00 H new ATOM 0 HG2 LYS A 108 123.086 0.117 11.761 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.964 1.232 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 108 125.406 -1.012 12.207 1.00 0.00 H new ATOM 0 HD3 LYS A 108 124.643 -1.295 10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 108 125.977 0.687 9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 108 126.833 0.754 11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 128.035 -0.585 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 127.533 -1.557 10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 126.703 -1.622 9.454 1.00 0.00 H new ATOM 1681 N PHE A 109 121.310 1.526 12.398 1.00 0.00 N ATOM 1682 CA PHE A 109 119.999 0.834 12.585 1.00 0.00 C ATOM 1683 C PHE A 109 119.634 0.112 11.282 1.00 0.00 C ATOM 1684 O PHE A 109 120.154 0.425 10.229 1.00 0.00 O ATOM 1685 CB PHE A 109 118.921 1.859 12.945 1.00 0.00 C ATOM 1686 CG PHE A 109 118.505 2.636 11.718 1.00 0.00 C ATOM 1687 CD1 PHE A 109 117.458 2.163 10.918 1.00 0.00 C ATOM 1688 CD2 PHE A 109 119.156 3.828 11.387 1.00 0.00 C ATOM 1689 CE1 PHE A 109 117.061 2.883 9.786 1.00 0.00 C ATOM 1690 CE2 PHE A 109 118.759 4.549 10.254 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.711 4.076 9.453 1.00 0.00 C ATOM 0 H PHE A 109 121.511 1.832 11.446 1.00 0.00 H new ATOM 0 HA PHE A 109 120.070 0.108 13.395 1.00 0.00 H new ATOM 0 HB2 PHE A 109 118.056 1.352 13.373 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.299 2.542 13.706 1.00 0.00 H new ATOM 0 HD1 PHE A 109 116.956 1.242 11.175 1.00 0.00 H new ATOM 0 HD2 PHE A 109 119.964 4.192 12.004 1.00 0.00 H new ATOM 0 HE1 PHE A 109 116.253 2.518 9.169 1.00 0.00 H new ATOM 0 HE2 PHE A 109 119.261 5.470 9.997 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.405 4.632 8.579 1.00 0.00 H new ATOM 1701 N PHE A 110 118.764 -0.864 11.335 1.00 0.00 N ATOM 1702 CA PHE A 110 118.418 -1.592 10.081 1.00 0.00 C ATOM 1703 C PHE A 110 117.005 -2.186 10.138 1.00 0.00 C ATOM 1704 O PHE A 110 116.449 -2.411 11.193 1.00 0.00 O ATOM 1705 CB PHE A 110 119.432 -2.722 9.875 1.00 0.00 C ATOM 1706 CG PHE A 110 119.647 -3.457 11.179 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.469 -2.901 12.167 1.00 0.00 C ATOM 1708 CD2 PHE A 110 119.029 -4.695 11.398 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.673 -3.582 13.374 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.235 -5.376 12.604 1.00 0.00 C ATOM 1711 CZ PHE A 110 120.057 -4.820 13.592 1.00 0.00 C ATOM 0 H PHE A 110 118.286 -1.183 12.178 1.00 0.00 H new ATOM 0 HA PHE A 110 118.448 -0.884 9.253 1.00 0.00 H new ATOM 0 HB2 PHE A 110 119.072 -3.412 9.112 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.377 -2.315 9.516 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.946 -1.947 11.998 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.394 -5.124 10.637 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.306 -3.152 14.136 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.759 -6.331 12.772 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.216 -5.346 14.522 1.00 0.00 H new ATOM 1721 N CYS A 111 116.446 -2.463 8.987 1.00 0.00 N ATOM 1722 CA CYS A 111 115.085 -3.076 8.911 1.00 0.00 C ATOM 1723 C CYS A 111 115.199 -4.378 8.117 1.00 0.00 C ATOM 1724 O CYS A 111 116.122 -4.549 7.348 1.00 0.00 O ATOM 1725 CB CYS A 111 114.117 -2.124 8.203 1.00 0.00 C ATOM 1726 SG CYS A 111 113.795 -0.684 9.254 1.00 0.00 S ATOM 0 H CYS A 111 116.883 -2.287 8.082 1.00 0.00 H new ATOM 0 HA CYS A 111 114.705 -3.270 9.914 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.539 -1.804 7.250 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.183 -2.640 7.980 1.00 0.00 H new ATOM 1731 N VAL A 112 114.302 -5.309 8.305 1.00 0.00 N ATOM 1732 CA VAL A 112 114.418 -6.603 7.561 1.00 0.00 C ATOM 1733 C VAL A 112 113.109 -6.974 6.858 1.00 0.00 C ATOM 1734 O VAL A 112 112.029 -6.827 7.394 1.00 0.00 O ATOM 1735 CB VAL A 112 114.795 -7.712 8.541 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.607 -9.073 7.867 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.258 -7.549 8.956 1.00 0.00 C ATOM 0 H VAL A 112 113.502 -5.234 8.933 1.00 0.00 H new ATOM 0 HA VAL A 112 115.188 -6.486 6.798 1.00 0.00 H new ATOM 0 HB VAL A 112 114.157 -7.650 9.423 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.876 -9.865 8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.565 -9.190 7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.246 -9.134 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.528 -8.340 9.656 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.895 -7.611 8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.395 -6.579 9.435 1.00 0.00 H new ATOM 1747 N CYS A 113 113.222 -7.507 5.666 1.00 0.00 N ATOM 1748 CA CYS A 113 112.027 -7.967 4.899 1.00 0.00 C ATOM 1749 C CYS A 113 112.230 -9.457 4.607 1.00 0.00 C ATOM 1750 O CYS A 113 113.292 -9.859 4.170 1.00 0.00 O ATOM 1751 CB CYS A 113 111.926 -7.196 3.580 1.00 0.00 C ATOM 1752 SG CYS A 113 111.433 -5.484 3.900 1.00 0.00 S ATOM 0 H CYS A 113 114.111 -7.644 5.185 1.00 0.00 H new ATOM 0 HA CYS A 113 111.112 -7.797 5.467 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.885 -7.216 3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.200 -7.676 2.924 1.00 0.00 H new ATOM 1757 N SER A 114 111.259 -10.298 4.855 1.00 0.00 N ATOM 1758 CA SER A 114 111.488 -11.749 4.593 1.00 0.00 C ATOM 1759 C SER A 114 110.193 -12.559 4.719 1.00 0.00 C ATOM 1760 O SER A 114 109.153 -12.056 5.084 1.00 0.00 O ATOM 1761 CB SER A 114 112.494 -12.274 5.613 1.00 0.00 C ATOM 1762 OG SER A 114 112.045 -11.938 6.920 1.00 0.00 O ATOM 0 H SER A 114 110.339 -10.051 5.219 1.00 0.00 H new ATOM 0 HA SER A 114 111.861 -11.859 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.599 -13.355 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.477 -11.841 5.430 1.00 0.00 H new ATOM 0 HG SER A 114 112.685 -12.273 7.582 1.00 0.00 H new ATOM 1768 N LYS A 115 110.287 -13.829 4.428 1.00 0.00 N ATOM 1769 CA LYS A 115 109.122 -14.752 4.540 1.00 0.00 C ATOM 1770 C LYS A 115 109.655 -16.153 4.836 1.00 0.00 C ATOM 1771 O LYS A 115 110.830 -16.416 4.698 1.00 0.00 O ATOM 1772 CB LYS A 115 108.320 -14.786 3.236 1.00 0.00 C ATOM 1773 CG LYS A 115 107.341 -13.612 3.181 1.00 0.00 C ATOM 1774 CD LYS A 115 106.419 -13.780 1.969 1.00 0.00 C ATOM 1775 CE LYS A 115 105.304 -12.731 2.017 1.00 0.00 C ATOM 1776 NZ LYS A 115 104.545 -12.876 3.293 1.00 0.00 N ATOM 0 H LYS A 115 111.147 -14.276 4.109 1.00 0.00 H new ATOM 0 HA LYS A 115 108.463 -14.405 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.998 -14.743 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.774 -15.727 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 115 106.752 -13.571 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 115 107.887 -12.671 3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 115 106.991 -13.674 1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.989 -14.782 1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 115 105.728 -11.729 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 115 104.634 -12.856 1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 103.539 -13.033 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 104.917 -13.686 3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 104.649 -12.010 3.859 1.00 0.00 H new ATOM 1790 N ASP A 116 108.811 -17.062 5.237 1.00 0.00 N ATOM 1791 CA ASP A 116 109.300 -18.439 5.521 1.00 0.00 C ATOM 1792 C ASP A 116 109.974 -19.004 4.263 1.00 0.00 C ATOM 1793 O ASP A 116 109.631 -18.651 3.154 1.00 0.00 O ATOM 1794 CB ASP A 116 108.118 -19.329 5.917 1.00 0.00 C ATOM 1795 CG ASP A 116 107.652 -18.957 7.325 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.394 -18.277 8.014 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.559 -19.358 7.692 1.00 0.00 O ATOM 0 H ASP A 116 107.812 -16.913 5.379 1.00 0.00 H new ATOM 0 HA ASP A 116 110.020 -18.413 6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 116 107.301 -19.204 5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.412 -20.378 5.884 1.00 0.00 H new ATOM 1802 N ASN A 117 110.921 -19.886 4.429 1.00 0.00 N ATOM 1803 CA ASN A 117 111.608 -20.477 3.241 1.00 0.00 C ATOM 1804 C ASN A 117 111.898 -19.380 2.209 1.00 0.00 C ATOM 1805 O ASN A 117 111.422 -19.433 1.094 1.00 0.00 O ATOM 1806 CB ASN A 117 110.710 -21.543 2.607 1.00 0.00 C ATOM 1807 CG ASN A 117 111.522 -22.371 1.608 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.688 -22.637 1.827 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.951 -22.792 0.513 1.00 0.00 N ATOM 0 H ASN A 117 111.250 -20.224 5.333 1.00 0.00 H new ATOM 0 HA ASN A 117 112.546 -20.931 3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.296 -22.191 3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.867 -21.070 2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.483 -23.344 -0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.973 -22.569 0.330 1.00 0.00 H new ATOM 1816 N GLU A 118 112.683 -18.394 2.563 1.00 0.00 N ATOM 1817 CA GLU A 118 112.995 -17.304 1.593 1.00 0.00 C ATOM 1818 C GLU A 118 114.244 -16.537 2.042 1.00 0.00 C ATOM 1819 O GLU A 118 114.437 -16.280 3.212 1.00 0.00 O ATOM 1820 CB GLU A 118 111.820 -16.323 1.521 1.00 0.00 C ATOM 1821 CG GLU A 118 110.706 -16.889 0.635 1.00 0.00 C ATOM 1822 CD GLU A 118 109.764 -15.759 0.219 1.00 0.00 C ATOM 1823 OE1 GLU A 118 110.129 -14.612 0.408 1.00 0.00 O ATOM 1824 OE2 GLU A 118 108.693 -16.060 -0.281 1.00 0.00 O ATOM 0 H GLU A 118 113.120 -18.298 3.480 1.00 0.00 H new ATOM 0 HA GLU A 118 113.171 -17.752 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.435 -16.132 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.160 -15.367 1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 118 111.134 -17.364 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 118 110.153 -17.658 1.174 1.00 0.00 H new ATOM 1831 N LYS A 119 115.090 -16.160 1.117 1.00 0.00 N ATOM 1832 CA LYS A 119 116.318 -15.399 1.493 1.00 0.00 C ATOM 1833 C LYS A 119 115.919 -14.156 2.290 1.00 0.00 C ATOM 1834 O LYS A 119 114.952 -13.495 1.973 1.00 0.00 O ATOM 1835 CB LYS A 119 117.059 -14.969 0.220 1.00 0.00 C ATOM 1836 CG LYS A 119 117.900 -16.141 -0.318 1.00 0.00 C ATOM 1837 CD LYS A 119 119.378 -15.903 0.005 1.00 0.00 C ATOM 1838 CE LYS A 119 119.979 -14.943 -1.025 1.00 0.00 C ATOM 1839 NZ LYS A 119 121.346 -14.538 -0.586 1.00 0.00 N ATOM 0 H LYS A 119 114.983 -16.346 0.120 1.00 0.00 H new ATOM 0 HA LYS A 119 116.968 -16.030 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.343 -14.646 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.703 -14.116 0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 119 117.566 -17.077 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 119 117.763 -16.236 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 119 119.480 -15.487 1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 119 119.920 -16.849 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 119 120.026 -15.424 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 119 119.344 -14.064 -1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 121.695 -13.773 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 121.310 -14.204 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 121.988 -15.354 -0.651 1.00 0.00 H new ATOM 1853 N LYS A 120 116.648 -13.839 3.329 1.00 0.00 N ATOM 1854 CA LYS A 120 116.294 -12.643 4.150 1.00 0.00 C ATOM 1855 C LYS A 120 116.948 -11.385 3.570 1.00 0.00 C ATOM 1856 O LYS A 120 118.086 -11.404 3.136 1.00 0.00 O ATOM 1857 CB LYS A 120 116.765 -12.855 5.593 1.00 0.00 C ATOM 1858 CG LYS A 120 118.294 -12.937 5.638 1.00 0.00 C ATOM 1859 CD LYS A 120 118.754 -13.121 7.087 1.00 0.00 C ATOM 1860 CE LYS A 120 118.578 -14.583 7.504 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.264 -14.816 8.806 1.00 0.00 N ATOM 0 H LYS A 120 117.470 -14.355 3.643 1.00 0.00 H new ATOM 0 HA LYS A 120 115.212 -12.511 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.418 -12.035 6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 120 116.331 -13.771 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 120 118.642 -13.769 5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.730 -12.030 5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 120 119.799 -12.828 7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 120 118.177 -12.473 7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 120 117.518 -14.822 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 120 118.991 -15.242 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 119.144 -15.810 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 120.277 -14.604 8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 118.850 -14.197 9.532 1.00 0.00 H new ATOM 1875 N LEU A 121 116.232 -10.289 3.563 1.00 0.00 N ATOM 1876 CA LEU A 121 116.802 -9.018 3.022 1.00 0.00 C ATOM 1877 C LEU A 121 117.036 -8.043 4.180 1.00 0.00 C ATOM 1878 O LEU A 121 116.122 -7.712 4.909 1.00 0.00 O ATOM 1879 CB LEU A 121 115.808 -8.399 2.032 1.00 0.00 C ATOM 1880 CG LEU A 121 115.440 -9.427 0.960 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.409 -8.822 0.004 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.692 -9.817 0.173 1.00 0.00 C ATOM 0 H LEU A 121 115.275 -10.220 3.909 1.00 0.00 H new ATOM 0 HA LEU A 121 117.745 -9.222 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.912 -8.072 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.245 -7.515 1.567 1.00 0.00 H new ATOM 0 HG LEU A 121 115.020 -10.312 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.147 -9.554 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.515 -8.544 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.830 -7.936 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.429 -10.549 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.113 -8.932 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.428 -10.249 0.851 1.00 0.00 H new ATOM 1894 N VAL A 122 118.249 -7.585 4.367 1.00 0.00 N ATOM 1895 CA VAL A 122 118.525 -6.642 5.497 1.00 0.00 C ATOM 1896 C VAL A 122 118.843 -5.240 4.966 1.00 0.00 C ATOM 1897 O VAL A 122 119.654 -5.063 4.083 1.00 0.00 O ATOM 1898 CB VAL A 122 119.722 -7.153 6.305 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.181 -6.065 7.280 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.317 -8.408 7.095 1.00 0.00 C ATOM 0 H VAL A 122 119.057 -7.821 3.790 1.00 0.00 H new ATOM 0 HA VAL A 122 117.639 -6.589 6.129 1.00 0.00 H new ATOM 0 HB VAL A 122 120.536 -7.402 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 122 121.033 -6.428 7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.473 -5.176 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.365 -5.816 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.171 -8.768 7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.501 -8.162 7.775 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.991 -9.184 6.403 1.00 0.00 H new ATOM 1910 N PHE A 123 118.214 -4.243 5.524 1.00 0.00 N ATOM 1911 CA PHE A 123 118.476 -2.835 5.098 1.00 0.00 C ATOM 1912 C PHE A 123 119.212 -2.129 6.239 1.00 0.00 C ATOM 1913 O PHE A 123 118.724 -2.089 7.341 1.00 0.00 O ATOM 1914 CB PHE A 123 117.133 -2.146 4.823 1.00 0.00 C ATOM 1915 CG PHE A 123 117.312 -0.647 4.824 1.00 0.00 C ATOM 1916 CD1 PHE A 123 118.045 -0.028 3.809 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.729 0.125 5.837 1.00 0.00 C ATOM 1918 CE1 PHE A 123 118.200 1.362 3.805 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.883 1.516 5.834 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.620 2.135 4.818 1.00 0.00 C ATOM 0 H PHE A 123 117.521 -4.343 6.266 1.00 0.00 H new ATOM 0 HA PHE A 123 119.082 -2.801 4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.738 -2.473 3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.405 -2.434 5.581 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.492 -0.623 3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.160 -0.353 6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.768 1.839 3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.433 2.111 6.615 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.741 3.208 4.815 1.00 0.00 H new ATOM 1930 N THR A 124 120.383 -1.590 5.998 1.00 0.00 N ATOM 1931 CA THR A 124 121.120 -0.921 7.117 1.00 0.00 C ATOM 1932 C THR A 124 121.759 0.399 6.674 1.00 0.00 C ATOM 1933 O THR A 124 122.300 0.525 5.587 1.00 0.00 O ATOM 1934 CB THR A 124 122.206 -1.867 7.630 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.686 -1.396 8.879 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.358 -1.920 6.626 1.00 0.00 C ATOM 0 H THR A 124 120.854 -1.583 5.093 1.00 0.00 H new ATOM 0 HA THR A 124 120.404 -0.691 7.906 1.00 0.00 H new ATOM 0 HB THR A 124 121.790 -2.867 7.752 1.00 0.00 H new ATOM 0 HG1 THR A 124 123.126 -2.129 9.358 1.00 0.00 H new ATOM 0 HG21 THR A 124 124.131 -2.595 6.994 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.988 -2.281 5.666 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.778 -0.922 6.501 1.00 0.00 H new ATOM 1944 N VAL A 125 121.741 1.375 7.551 1.00 0.00 N ATOM 1945 CA VAL A 125 122.377 2.689 7.249 1.00 0.00 C ATOM 1946 C VAL A 125 123.136 3.148 8.498 1.00 0.00 C ATOM 1947 O VAL A 125 122.802 2.762 9.607 1.00 0.00 O ATOM 1948 CB VAL A 125 121.301 3.715 6.882 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.295 3.076 5.919 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.570 4.172 8.146 1.00 0.00 C ATOM 0 H VAL A 125 121.307 1.312 8.472 1.00 0.00 H new ATOM 0 HA VAL A 125 123.063 2.594 6.407 1.00 0.00 H new ATOM 0 HB VAL A 125 121.772 4.575 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.528 3.805 5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.812 2.752 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.828 2.216 6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.805 4.902 7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 125 120.101 3.313 8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.283 4.627 8.834 1.00 0.00 H new ATOM 1960 N GLU A 126 124.148 3.963 8.340 1.00 0.00 N ATOM 1961 CA GLU A 126 124.920 4.427 9.537 1.00 0.00 C ATOM 1962 C GLU A 126 124.917 5.956 9.613 1.00 0.00 C ATOM 1963 O GLU A 126 124.900 6.640 8.609 1.00 0.00 O ATOM 1964 CB GLU A 126 126.364 3.932 9.425 1.00 0.00 C ATOM 1965 CG GLU A 126 127.139 4.325 10.685 1.00 0.00 C ATOM 1966 CD GLU A 126 128.571 3.794 10.592 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.813 2.937 9.758 1.00 0.00 O ATOM 1968 OE2 GLU A 126 129.403 4.255 11.357 1.00 0.00 O ATOM 0 H GLU A 126 124.472 4.326 7.443 1.00 0.00 H new ATOM 0 HA GLU A 126 124.454 4.027 10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.380 2.849 9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.840 4.363 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 126 127.149 5.409 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 126 126.646 3.919 11.569 1.00 0.00 H new ATOM 1975 N ALA A 127 124.936 6.493 10.804 1.00 0.00 N ATOM 1976 CA ALA A 127 124.940 7.975 10.955 1.00 0.00 C ATOM 1977 C ALA A 127 125.690 8.352 12.236 1.00 0.00 C ATOM 1978 O ALA A 127 125.410 7.751 13.262 1.00 0.00 O ATOM 1979 CB ALA A 127 123.501 8.488 11.038 1.00 0.00 C ATOM 1980 OXT ALA A 127 126.531 9.232 12.169 1.00 0.00 O ATOM 0 H ALA A 127 124.949 5.968 11.678 1.00 0.00 H new ATOM 0 HA ALA A 127 125.434 8.426 10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.507 9.572 11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 127 122.966 8.219 10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 127 123.004 8.039 11.897 1.00 0.00 H new TER 1986 ALA A 127