USER MOD reduce.3.24.130724 H: found=0, std=0, add=1069, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1069 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 109 TYR OH : rot 124:sc= -2.22! USER MOD Set 1.2: A 113 LYS NZ :NH3+ -113:sc= 0.942 (180deg=0.0385) USER MOD Set 2.1: A 107 TYR OH : rot -61:sc= 1.3 USER MOD Set 2.2: A 111 CYS SG : rot 156:sc= -2.6! USER MOD Set 2.3: A 117 SER OG : rot -70:sc= -1.54! USER MOD Set 3.1: A 9 GLN : amide:sc= -1.42 K(o=-2.9,f=-9.2!) USER MOD Set 3.2: A 12 GLN : amide:sc= -1.46 K(o=-2.9,f=-12!) USER MOD Single : A 5 SER OG : rot -150:sc= 0.283 USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= -0.261 (180deg=-0.29) USER MOD Single : A 15 GLN : amide:sc= -4.42! C(o=-4.4!,f=-5.1!) USER MOD Single : A 17 TYR OH : rot 134:sc= 1.12 USER MOD Single : A 20 ASN : amide:sc= -0.144 K(o=-0.14,f=-5.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 107:sc= 0.693 USER MOD Single : A 36 MET CE :methyl -140:sc= -3.43 (180deg=-7.65!) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= 0.089 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00293 USER MOD Single : A 44 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.064) USER MOD Single : A 49 MET CE :methyl -155:sc= -0.12 (180deg=-0.861) USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= -0.0564 (180deg=-0.417) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc=-0.000275 USER MOD Single : A 61 ASN : amide:sc= -3.7! C(o=-3.7!,f=-7.4!) USER MOD Single : A 74 ASN : amide:sc= -7.07! C(o=-7.1!,f=-22!) USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0491) USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= -1.43! (180deg=-1.87!) USER MOD Single : A 79 GLN : amide:sc= -3.6! C(o=-3.6!,f=-3.2!) USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -0.0187 (180deg=-0.323) USER MOD Single : A 86 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.0086) USER MOD Single : A 89 SER OG : rot -52:sc= 1.16 USER MOD Single : A 90 SER OG : rot 69:sc= 0.199 USER MOD Single : A 92 THR OG1 : rot 64:sc= 0.48! USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.7) USER MOD Single : A 102 TYR OH : rot 156:sc= 0.153 USER MOD Single : A 103 MET CE :methyl -111:sc= 0 (180deg=-0.0955) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 134:sc= -0.293 (180deg=-1.48!) USER MOD Single : A 115 ASN : amide:sc= -0.737 X(o=-0.74,f=-0.36) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 129 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 3 101.782 -7.532 17.979 1.00 0.00 N ATOM 2 CA GLY A 3 101.900 -6.932 16.621 1.00 0.00 C ATOM 3 C GLY A 3 102.797 -7.810 15.750 1.00 0.00 C ATOM 4 O GLY A 3 102.596 -9.003 15.637 1.00 0.00 O ATOM 0 HA2 GLY A 3 100.914 -6.838 16.167 1.00 0.00 H new ATOM 0 HA3 GLY A 3 102.315 -5.927 16.691 1.00 0.00 H new ATOM 8 N TRP A 4 103.789 -7.230 15.133 1.00 0.00 N ATOM 9 CA TRP A 4 104.700 -8.032 14.271 1.00 0.00 C ATOM 10 C TRP A 4 105.550 -8.945 15.154 1.00 0.00 C ATOM 11 O TRP A 4 105.900 -8.597 16.265 1.00 0.00 O ATOM 12 CB TRP A 4 105.612 -7.091 13.478 1.00 0.00 C ATOM 13 CG TRP A 4 106.306 -7.856 12.396 1.00 0.00 C ATOM 14 CD1 TRP A 4 107.629 -8.148 12.367 1.00 0.00 C ATOM 15 CD2 TRP A 4 105.735 -8.431 11.187 1.00 0.00 C ATOM 16 NE1 TRP A 4 107.903 -8.860 11.212 1.00 0.00 N ATOM 17 CE2 TRP A 4 106.768 -9.062 10.454 1.00 0.00 C ATOM 18 CE3 TRP A 4 104.432 -8.465 10.660 1.00 0.00 C ATOM 19 CZ2 TRP A 4 106.515 -9.704 9.240 1.00 0.00 C ATOM 20 CZ3 TRP A 4 104.174 -9.109 9.439 1.00 0.00 C ATOM 21 CH2 TRP A 4 105.213 -9.727 8.731 1.00 0.00 C ATOM 0 H TRP A 4 104.008 -6.235 15.189 1.00 0.00 H new ATOM 0 HA TRP A 4 104.114 -8.635 13.577 1.00 0.00 H new ATOM 0 HB2 TRP A 4 105.026 -6.280 13.045 1.00 0.00 H new ATOM 0 HB3 TRP A 4 106.346 -6.635 14.142 1.00 0.00 H new ATOM 0 HD1 TRP A 4 108.351 -7.871 13.121 1.00 0.00 H new ATOM 0 HE1 TRP A 4 108.831 -9.195 10.953 1.00 0.00 H new ATOM 0 HE3 TRP A 4 103.624 -7.992 11.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 107.319 -10.179 8.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 103.169 -9.128 9.044 1.00 0.00 H new ATOM 0 HH2 TRP A 4 105.008 -10.221 7.793 1.00 0.00 H new ATOM 32 N SER A 5 105.888 -10.109 14.672 1.00 0.00 N ATOM 33 CA SER A 5 106.718 -11.041 15.478 1.00 0.00 C ATOM 34 C SER A 5 108.065 -10.365 15.774 1.00 0.00 C ATOM 35 O SER A 5 108.148 -9.155 15.858 1.00 0.00 O ATOM 36 CB SER A 5 106.906 -12.333 14.676 1.00 0.00 C ATOM 37 OG SER A 5 107.082 -12.006 13.305 1.00 0.00 O ATOM 0 H SER A 5 105.622 -10.454 13.750 1.00 0.00 H new ATOM 0 HA SER A 5 106.239 -11.285 16.426 1.00 0.00 H new ATOM 0 HB2 SER A 5 107.771 -12.883 15.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 106.039 -12.982 14.800 1.00 0.00 H new ATOM 0 HG SER A 5 106.737 -12.735 12.748 1.00 0.00 H new ATOM 43 N PHE A 6 109.116 -11.114 15.946 1.00 0.00 N ATOM 44 CA PHE A 6 110.429 -10.488 16.247 1.00 0.00 C ATOM 45 C PHE A 6 111.525 -11.503 15.934 1.00 0.00 C ATOM 46 O PHE A 6 112.313 -11.321 15.021 1.00 0.00 O ATOM 47 CB PHE A 6 110.472 -10.123 17.733 1.00 0.00 C ATOM 48 CG PHE A 6 111.834 -9.584 18.090 1.00 0.00 C ATOM 49 CD1 PHE A 6 112.851 -10.461 18.482 1.00 0.00 C ATOM 50 CD2 PHE A 6 112.079 -8.207 18.033 1.00 0.00 C ATOM 51 CE1 PHE A 6 114.115 -9.962 18.816 1.00 0.00 C ATOM 52 CE2 PHE A 6 113.342 -7.707 18.368 1.00 0.00 C ATOM 53 CZ PHE A 6 114.361 -8.584 18.760 1.00 0.00 C ATOM 0 H PHE A 6 109.122 -12.132 15.891 1.00 0.00 H new ATOM 0 HA PHE A 6 110.575 -9.588 15.650 1.00 0.00 H new ATOM 0 HB2 PHE A 6 109.707 -9.379 17.956 1.00 0.00 H new ATOM 0 HB3 PHE A 6 110.249 -11.001 18.339 1.00 0.00 H new ATOM 0 HD1 PHE A 6 112.661 -11.523 18.527 1.00 0.00 H new ATOM 0 HD2 PHE A 6 111.293 -7.531 17.730 1.00 0.00 H new ATOM 0 HE1 PHE A 6 114.901 -10.639 19.117 1.00 0.00 H new ATOM 0 HE2 PHE A 6 113.531 -6.645 18.324 1.00 0.00 H new ATOM 0 HZ PHE A 6 115.336 -8.198 19.019 1.00 0.00 H new ATOM 63 N GLU A 7 111.575 -12.586 16.653 1.00 0.00 N ATOM 64 CA GLU A 7 112.610 -13.599 16.349 1.00 0.00 C ATOM 65 C GLU A 7 112.328 -14.172 14.955 1.00 0.00 C ATOM 66 O GLU A 7 113.188 -14.756 14.323 1.00 0.00 O ATOM 67 CB GLU A 7 112.594 -14.710 17.399 1.00 0.00 C ATOM 68 CG GLU A 7 111.242 -15.424 17.390 1.00 0.00 C ATOM 69 CD GLU A 7 111.167 -16.387 18.576 1.00 0.00 C ATOM 70 OE1 GLU A 7 110.987 -15.915 19.688 1.00 0.00 O ATOM 71 OE2 GLU A 7 111.291 -17.581 18.355 1.00 0.00 O ATOM 0 H GLU A 7 110.951 -12.809 17.428 1.00 0.00 H new ATOM 0 HA GLU A 7 113.598 -13.139 16.368 1.00 0.00 H new ATOM 0 HB2 GLU A 7 113.392 -15.424 17.196 1.00 0.00 H new ATOM 0 HB3 GLU A 7 112.785 -14.290 18.387 1.00 0.00 H new ATOM 0 HG2 GLU A 7 110.433 -14.695 17.448 1.00 0.00 H new ATOM 0 HG3 GLU A 7 111.113 -15.970 16.455 1.00 0.00 H new ATOM 78 N GLU A 8 111.122 -13.994 14.467 1.00 0.00 N ATOM 79 CA GLU A 8 110.776 -14.513 13.110 1.00 0.00 C ATOM 80 C GLU A 8 111.561 -13.731 12.056 1.00 0.00 C ATOM 81 O GLU A 8 112.054 -14.284 11.099 1.00 0.00 O ATOM 82 CB GLU A 8 109.274 -14.344 12.851 1.00 0.00 C ATOM 83 CG GLU A 8 108.486 -15.310 13.737 1.00 0.00 C ATOM 84 CD GLU A 8 106.988 -15.138 13.475 1.00 0.00 C ATOM 85 OE1 GLU A 8 106.637 -14.244 12.725 1.00 0.00 O ATOM 86 OE2 GLU A 8 106.219 -15.913 14.018 1.00 0.00 O ATOM 0 H GLU A 8 110.365 -13.512 14.952 1.00 0.00 H new ATOM 0 HA GLU A 8 111.032 -15.571 13.055 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.973 -13.317 13.058 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.052 -14.535 11.801 1.00 0.00 H new ATOM 0 HG2 GLU A 8 108.786 -16.337 13.530 1.00 0.00 H new ATOM 0 HG3 GLU A 8 108.706 -15.119 14.787 1.00 0.00 H new ATOM 93 N GLN A 9 111.695 -12.446 12.229 1.00 0.00 N ATOM 94 CA GLN A 9 112.466 -11.640 11.240 1.00 0.00 C ATOM 95 C GLN A 9 113.942 -12.018 11.348 1.00 0.00 C ATOM 96 O GLN A 9 114.724 -11.816 10.438 1.00 0.00 O ATOM 97 CB GLN A 9 112.297 -10.151 11.550 1.00 0.00 C ATOM 98 CG GLN A 9 110.885 -9.706 11.166 1.00 0.00 C ATOM 99 CD GLN A 9 110.754 -9.706 9.642 1.00 0.00 C ATOM 100 OE1 GLN A 9 111.628 -9.228 8.946 1.00 0.00 O ATOM 101 NE2 GLN A 9 109.692 -10.224 9.088 1.00 0.00 N ATOM 0 H GLN A 9 111.305 -11.919 13.011 1.00 0.00 H new ATOM 0 HA GLN A 9 112.102 -11.839 10.232 1.00 0.00 H new ATOM 0 HB2 GLN A 9 112.472 -9.967 12.610 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.036 -9.568 11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 9 110.147 -10.377 11.606 1.00 0.00 H new ATOM 0 HG3 GLN A 9 110.685 -8.710 11.560 1.00 0.00 H new ATOM 0 HE21 GLN A 9 108.957 -10.626 9.671 1.00 0.00 H new ATOM 0 HE22 GLN A 9 109.597 -10.227 8.072 1.00 0.00 H new ATOM 110 N PHE A 10 114.326 -12.557 12.470 1.00 0.00 N ATOM 111 CA PHE A 10 115.750 -12.940 12.672 1.00 0.00 C ATOM 112 C PHE A 10 116.130 -14.056 11.680 1.00 0.00 C ATOM 113 O PHE A 10 117.033 -13.906 10.882 1.00 0.00 O ATOM 114 CB PHE A 10 115.904 -13.433 14.123 1.00 0.00 C ATOM 115 CG PHE A 10 117.280 -13.103 14.669 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.428 -13.581 14.026 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.401 -12.310 15.822 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.696 -13.270 14.535 1.00 0.00 C ATOM 119 CE2 PHE A 10 118.669 -11.999 16.328 1.00 0.00 C ATOM 120 CZ PHE A 10 119.816 -12.479 15.686 1.00 0.00 C ATOM 0 H PHE A 10 113.711 -12.750 13.261 1.00 0.00 H new ATOM 0 HA PHE A 10 116.409 -12.090 12.496 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.141 -12.972 14.750 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.742 -14.510 14.163 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.336 -14.189 13.138 1.00 0.00 H new ATOM 0 HD2 PHE A 10 116.516 -11.940 16.318 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.582 -13.640 14.040 1.00 0.00 H new ATOM 0 HE2 PHE A 10 118.762 -11.388 17.214 1.00 0.00 H new ATOM 0 HZ PHE A 10 120.794 -12.240 16.077 1.00 0.00 H new ATOM 130 N LYS A 11 115.455 -15.175 11.714 1.00 0.00 N ATOM 131 CA LYS A 11 115.815 -16.265 10.760 1.00 0.00 C ATOM 132 C LYS A 11 115.652 -15.761 9.323 1.00 0.00 C ATOM 133 O LYS A 11 116.331 -16.205 8.422 1.00 0.00 O ATOM 134 CB LYS A 11 114.935 -17.503 10.987 1.00 0.00 C ATOM 135 CG LYS A 11 113.496 -17.229 10.547 1.00 0.00 C ATOM 136 CD LYS A 11 112.598 -18.380 11.010 1.00 0.00 C ATOM 137 CE LYS A 11 111.222 -18.257 10.352 1.00 0.00 C ATOM 138 NZ LYS A 11 110.564 -16.998 10.795 1.00 0.00 N ATOM 0 H LYS A 11 114.683 -15.380 12.349 1.00 0.00 H new ATOM 0 HA LYS A 11 116.853 -16.551 10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 11 115.337 -18.349 10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.952 -17.780 12.041 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.147 -16.287 10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.448 -17.128 9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 11 113.052 -19.336 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.496 -18.361 12.095 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.326 -18.262 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 11 110.604 -19.115 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 109.652 -16.893 10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 110.405 -17.032 11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 111.175 -16.188 10.566 1.00 0.00 H new ATOM 152 N GLN A 12 114.761 -14.833 9.096 1.00 0.00 N ATOM 153 CA GLN A 12 114.580 -14.314 7.709 1.00 0.00 C ATOM 154 C GLN A 12 115.901 -13.688 7.220 1.00 0.00 C ATOM 155 O GLN A 12 116.206 -13.687 6.044 1.00 0.00 O ATOM 156 CB GLN A 12 113.433 -13.298 7.669 1.00 0.00 C ATOM 157 CG GLN A 12 112.112 -14.050 7.883 1.00 0.00 C ATOM 158 CD GLN A 12 110.945 -13.064 7.989 1.00 0.00 C ATOM 159 OE1 GLN A 12 110.917 -12.060 7.311 1.00 0.00 O ATOM 160 NE2 GLN A 12 109.964 -13.322 8.811 1.00 0.00 N ATOM 0 H GLN A 12 114.156 -14.415 9.803 1.00 0.00 H new ATOM 0 HA GLN A 12 114.318 -15.135 7.041 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.569 -12.542 8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.422 -12.776 6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.940 -14.738 7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 12 112.172 -14.651 8.790 1.00 0.00 H new ATOM 0 HE21 GLN A 12 109.986 -14.167 9.382 1.00 0.00 H new ATOM 0 HE22 GLN A 12 109.175 -12.679 8.882 1.00 0.00 H new ATOM 169 N VAL A 13 116.707 -13.160 8.103 1.00 0.00 N ATOM 170 CA VAL A 13 118.001 -12.580 7.633 1.00 0.00 C ATOM 171 C VAL A 13 118.946 -13.737 7.276 1.00 0.00 C ATOM 172 O VAL A 13 119.755 -13.635 6.375 1.00 0.00 O ATOM 173 CB VAL A 13 118.618 -11.662 8.720 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.485 -12.464 9.710 1.00 0.00 C ATOM 175 CG2 VAL A 13 119.487 -10.587 8.049 1.00 0.00 C ATOM 0 H VAL A 13 116.533 -13.105 9.106 1.00 0.00 H new ATOM 0 HA VAL A 13 117.836 -11.961 6.751 1.00 0.00 H new ATOM 0 HB VAL A 13 117.801 -11.200 9.274 1.00 0.00 H new ATOM 0 HG11 VAL A 13 119.902 -11.789 10.458 1.00 0.00 H new ATOM 0 HG12 VAL A 13 118.871 -13.218 10.203 1.00 0.00 H new ATOM 0 HG13 VAL A 13 120.296 -12.953 9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 13 119.921 -9.941 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 13 120.285 -11.066 7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 13 118.872 -9.990 7.376 1.00 0.00 H new ATOM 185 N ARG A 14 118.843 -14.843 7.968 1.00 0.00 N ATOM 186 CA ARG A 14 119.733 -15.999 7.646 1.00 0.00 C ATOM 187 C ARG A 14 119.497 -16.440 6.204 1.00 0.00 C ATOM 188 O ARG A 14 120.429 -16.659 5.456 1.00 0.00 O ATOM 189 CB ARG A 14 119.419 -17.170 8.583 1.00 0.00 C ATOM 190 CG ARG A 14 119.881 -16.843 10.004 1.00 0.00 C ATOM 191 CD ARG A 14 119.558 -18.023 10.923 1.00 0.00 C ATOM 192 NE ARG A 14 119.987 -17.702 12.318 1.00 0.00 N ATOM 193 CZ ARG A 14 121.157 -18.084 12.756 1.00 0.00 C ATOM 194 NH1 ARG A 14 121.338 -19.317 13.147 1.00 0.00 N ATOM 195 NH2 ARG A 14 122.146 -17.234 12.801 1.00 0.00 N ATOM 0 H ARG A 14 118.188 -14.995 8.735 1.00 0.00 H new ATOM 0 HA ARG A 14 120.772 -15.695 7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 14 118.348 -17.373 8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 14 119.916 -18.073 8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 14 120.952 -16.642 10.014 1.00 0.00 H new ATOM 0 HG3 ARG A 14 119.384 -15.941 10.362 1.00 0.00 H new ATOM 0 HD2 ARG A 14 118.489 -18.233 10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 14 120.067 -18.921 10.572 1.00 0.00 H new ATOM 0 HE ARG A 14 119.362 -17.181 12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 14 120.566 -19.982 13.110 1.00 0.00 H new ATOM 0 HH12 ARG A 14 122.252 -19.615 13.489 1.00 0.00 H new ATOM 0 HH21 ARG A 14 122.006 -16.271 12.494 1.00 0.00 H new ATOM 0 HH22 ARG A 14 123.060 -17.532 13.143 1.00 0.00 H new ATOM 209 N GLN A 15 118.264 -16.571 5.796 1.00 0.00 N ATOM 210 CA GLN A 15 118.007 -16.997 4.395 1.00 0.00 C ATOM 211 C GLN A 15 118.614 -15.981 3.424 1.00 0.00 C ATOM 212 O GLN A 15 118.989 -16.332 2.327 1.00 0.00 O ATOM 213 CB GLN A 15 116.507 -17.156 4.137 1.00 0.00 C ATOM 214 CG GLN A 15 115.781 -15.920 4.620 1.00 0.00 C ATOM 215 CD GLN A 15 114.288 -16.042 4.305 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.531 -15.119 4.531 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.829 -17.152 3.795 1.00 0.00 N ATOM 0 H GLN A 15 117.434 -16.403 6.365 1.00 0.00 H new ATOM 0 HA GLN A 15 118.478 -17.967 4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.324 -17.307 3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.129 -18.038 4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.927 -15.797 5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.193 -15.033 4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 15 114.464 -17.927 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.835 -17.245 3.586 1.00 0.00 H new ATOM 226 N LEU A 16 118.728 -14.724 3.802 1.00 0.00 N ATOM 227 CA LEU A 16 119.330 -13.738 2.846 1.00 0.00 C ATOM 228 C LEU A 16 120.755 -14.178 2.512 1.00 0.00 C ATOM 229 O LEU A 16 121.155 -14.215 1.365 1.00 0.00 O ATOM 230 CB LEU A 16 119.405 -12.348 3.488 1.00 0.00 C ATOM 231 CG LEU A 16 118.004 -11.819 3.806 1.00 0.00 C ATOM 232 CD1 LEU A 16 118.132 -10.463 4.512 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.196 -11.651 2.507 1.00 0.00 C ATOM 0 H LEU A 16 118.439 -14.348 4.705 1.00 0.00 H new ATOM 0 HA LEU A 16 118.710 -13.697 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.996 -12.396 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.915 -11.659 2.815 1.00 0.00 H new ATOM 0 HG LEU A 16 117.486 -12.527 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 16 117.139 -10.078 4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 16 118.697 -10.586 5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 16 118.651 -9.761 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.201 -11.274 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 16 117.705 -10.945 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 16 117.109 -12.615 2.005 1.00 0.00 H new ATOM 245 N TYR A 17 121.521 -14.515 3.510 1.00 0.00 N ATOM 246 CA TYR A 17 122.923 -14.958 3.269 1.00 0.00 C ATOM 247 C TYR A 17 122.921 -16.283 2.499 1.00 0.00 C ATOM 248 O TYR A 17 123.750 -16.514 1.642 1.00 0.00 O ATOM 249 CB TYR A 17 123.629 -15.152 4.616 1.00 0.00 C ATOM 250 CG TYR A 17 123.996 -13.807 5.203 1.00 0.00 C ATOM 251 CD1 TYR A 17 123.099 -13.135 6.042 1.00 0.00 C ATOM 252 CD2 TYR A 17 125.245 -13.240 4.917 1.00 0.00 C ATOM 253 CE1 TYR A 17 123.449 -11.897 6.594 1.00 0.00 C ATOM 254 CE2 TYR A 17 125.594 -12.001 5.467 1.00 0.00 C ATOM 255 CZ TYR A 17 124.696 -11.329 6.306 1.00 0.00 C ATOM 256 OH TYR A 17 125.041 -10.109 6.851 1.00 0.00 O ATOM 0 H TYR A 17 121.235 -14.503 4.489 1.00 0.00 H new ATOM 0 HA TYR A 17 123.447 -14.203 2.684 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.978 -15.693 5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.526 -15.757 4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 17 122.136 -13.572 6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 17 125.939 -13.759 4.272 1.00 0.00 H new ATOM 0 HE1 TYR A 17 122.757 -11.380 7.242 1.00 0.00 H new ATOM 0 HE2 TYR A 17 126.556 -11.563 5.244 1.00 0.00 H new ATOM 0 HH TYR A 17 125.953 -10.155 7.206 1.00 0.00 H new ATOM 266 N GLU A 18 122.015 -17.166 2.817 1.00 0.00 N ATOM 267 CA GLU A 18 121.983 -18.490 2.121 1.00 0.00 C ATOM 268 C GLU A 18 121.507 -18.350 0.667 1.00 0.00 C ATOM 269 O GLU A 18 121.482 -19.317 -0.069 1.00 0.00 O ATOM 270 CB GLU A 18 121.039 -19.437 2.860 1.00 0.00 C ATOM 271 CG GLU A 18 121.599 -19.736 4.251 1.00 0.00 C ATOM 272 CD GLU A 18 120.652 -20.685 4.989 1.00 0.00 C ATOM 273 OE1 GLU A 18 119.561 -20.905 4.491 1.00 0.00 O ATOM 274 OE2 GLU A 18 121.034 -21.172 6.040 1.00 0.00 O ATOM 0 H GLU A 18 121.295 -17.031 3.527 1.00 0.00 H new ATOM 0 HA GLU A 18 122.997 -18.889 2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 18 120.049 -18.988 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.922 -20.363 2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 18 122.589 -20.185 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 18 121.715 -18.810 4.815 1.00 0.00 H new ATOM 281 N ILE A 19 121.129 -17.177 0.232 1.00 0.00 N ATOM 282 CA ILE A 19 120.664 -17.041 -1.183 1.00 0.00 C ATOM 283 C ILE A 19 121.732 -17.618 -2.118 1.00 0.00 C ATOM 284 O ILE A 19 121.425 -18.260 -3.103 1.00 0.00 O ATOM 285 CB ILE A 19 120.431 -15.561 -1.524 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.203 -15.050 -0.768 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.196 -15.407 -3.032 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.129 -13.527 -0.883 1.00 0.00 C ATOM 0 H ILE A 19 121.121 -16.319 0.783 1.00 0.00 H new ATOM 0 HA ILE A 19 119.727 -17.584 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 19 121.309 -14.984 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.298 -15.500 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.260 -15.344 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.031 -14.356 -3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.069 -15.769 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.321 -15.987 -3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.254 -13.164 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 19 120.029 -13.086 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.052 -13.245 -1.933 1.00 0.00 H new ATOM 300 N ASN A 20 122.979 -17.392 -1.818 1.00 0.00 N ATOM 301 CA ASN A 20 124.064 -17.924 -2.687 1.00 0.00 C ATOM 302 C ASN A 20 125.413 -17.693 -2.003 1.00 0.00 C ATOM 303 O ASN A 20 125.490 -17.091 -0.950 1.00 0.00 O ATOM 304 CB ASN A 20 124.040 -17.197 -4.039 1.00 0.00 C ATOM 305 CG ASN A 20 124.816 -18.013 -5.077 1.00 0.00 C ATOM 306 OD1 ASN A 20 125.167 -19.149 -4.833 1.00 0.00 O ATOM 307 ND2 ASN A 20 125.095 -17.477 -6.233 1.00 0.00 N ATOM 0 H ASN A 20 123.295 -16.861 -1.007 1.00 0.00 H new ATOM 0 HA ASN A 20 123.915 -18.991 -2.850 1.00 0.00 H new ATOM 0 HB2 ASN A 20 123.011 -17.056 -4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 20 124.481 -16.205 -3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 20 125.609 -18.013 -6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.800 -16.522 -6.437 1.00 0.00 H new ATOM 314 N ASP A 21 126.477 -18.169 -2.590 1.00 0.00 N ATOM 315 CA ASP A 21 127.825 -17.980 -1.976 1.00 0.00 C ATOM 316 C ASP A 21 128.470 -16.712 -2.539 1.00 0.00 C ATOM 317 O ASP A 21 129.669 -16.528 -2.465 1.00 0.00 O ATOM 318 CB ASP A 21 128.706 -19.189 -2.300 1.00 0.00 C ATOM 319 CG ASP A 21 128.852 -19.324 -3.817 1.00 0.00 C ATOM 320 OD1 ASP A 21 128.025 -18.774 -4.523 1.00 0.00 O ATOM 321 OD2 ASP A 21 129.789 -19.978 -4.245 1.00 0.00 O ATOM 0 H ASP A 21 126.472 -18.683 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 21 127.722 -17.884 -0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 21 129.687 -19.071 -1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 21 128.265 -20.095 -1.885 1.00 0.00 H new ATOM 326 N ASP A 22 127.684 -15.833 -3.102 1.00 0.00 N ATOM 327 CA ASP A 22 128.258 -14.578 -3.666 1.00 0.00 C ATOM 328 C ASP A 22 129.131 -13.902 -2.576 1.00 0.00 C ATOM 329 O ASP A 22 128.609 -13.494 -1.557 1.00 0.00 O ATOM 330 CB ASP A 22 127.104 -13.635 -4.057 1.00 0.00 C ATOM 331 CG ASP A 22 126.629 -13.946 -5.481 1.00 0.00 C ATOM 332 OD1 ASP A 22 125.958 -14.951 -5.656 1.00 0.00 O ATOM 333 OD2 ASP A 22 126.945 -13.174 -6.372 1.00 0.00 O ATOM 0 H ASP A 22 126.673 -15.930 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 22 128.865 -14.797 -4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.277 -13.750 -3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 22 127.434 -12.598 -3.994 1.00 0.00 H new ATOM 338 N PRO A 23 130.441 -13.783 -2.752 1.00 0.00 N ATOM 339 CA PRO A 23 131.288 -13.143 -1.699 1.00 0.00 C ATOM 340 C PRO A 23 130.902 -11.680 -1.417 1.00 0.00 C ATOM 341 O PRO A 23 130.731 -11.288 -0.279 1.00 0.00 O ATOM 342 CB PRO A 23 132.714 -13.248 -2.285 1.00 0.00 C ATOM 343 CG PRO A 23 132.636 -13.941 -3.659 1.00 0.00 C ATOM 344 CD PRO A 23 131.162 -14.265 -3.969 1.00 0.00 C ATOM 0 HA PRO A 23 131.175 -13.632 -0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.154 -12.256 -2.387 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.358 -13.815 -1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.051 -13.294 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.230 -14.855 -3.655 1.00 0.00 H new ATOM 0 HD2 PRO A 23 130.819 -13.754 -4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.010 -15.332 -4.130 1.00 0.00 H new ATOM 352 N LYS A 24 130.780 -10.865 -2.432 1.00 0.00 N ATOM 353 CA LYS A 24 130.427 -9.437 -2.185 1.00 0.00 C ATOM 354 C LYS A 24 129.076 -9.353 -1.476 1.00 0.00 C ATOM 355 O LYS A 24 128.897 -8.572 -0.562 1.00 0.00 O ATOM 356 CB LYS A 24 130.360 -8.682 -3.513 1.00 0.00 C ATOM 357 CG LYS A 24 131.776 -8.544 -4.082 1.00 0.00 C ATOM 358 CD LYS A 24 131.743 -7.781 -5.416 1.00 0.00 C ATOM 359 CE LYS A 24 131.323 -8.719 -6.556 1.00 0.00 C ATOM 360 NZ LYS A 24 131.481 -8.012 -7.857 1.00 0.00 N ATOM 0 H LYS A 24 130.908 -11.123 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 24 131.192 -8.985 -1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 24 129.722 -9.216 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 24 129.917 -7.697 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 24 132.412 -8.018 -3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 24 132.213 -9.531 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 24 131.046 -6.946 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 24 132.726 -7.360 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 24 131.933 -9.622 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 24 130.288 -9.032 -6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 131.197 -8.644 -8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 130.881 -7.163 -7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 132.475 -7.734 -7.983 1.00 0.00 H new ATOM 374 N ARG A 25 128.129 -10.159 -1.864 1.00 0.00 N ATOM 375 CA ARG A 25 126.813 -10.122 -1.175 1.00 0.00 C ATOM 376 C ARG A 25 127.039 -10.452 0.298 1.00 0.00 C ATOM 377 O ARG A 25 126.496 -9.821 1.183 1.00 0.00 O ATOM 378 CB ARG A 25 125.875 -11.154 -1.806 1.00 0.00 C ATOM 379 CG ARG A 25 124.514 -11.124 -1.105 1.00 0.00 C ATOM 380 CD ARG A 25 123.591 -12.150 -1.758 1.00 0.00 C ATOM 381 NE ARG A 25 124.235 -13.491 -1.709 1.00 0.00 N ATOM 382 CZ ARG A 25 124.329 -14.130 -0.577 1.00 0.00 C ATOM 383 NH1 ARG A 25 125.115 -13.682 0.364 1.00 0.00 N ATOM 384 NH2 ARG A 25 123.635 -15.215 -0.384 1.00 0.00 N ATOM 0 H ARG A 25 128.209 -10.836 -2.622 1.00 0.00 H new ATOM 0 HA ARG A 25 126.359 -9.136 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.751 -10.943 -2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 25 126.311 -12.150 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.633 -11.347 -0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 25 124.077 -10.128 -1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 25 122.632 -12.175 -1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 25 123.388 -11.869 -2.791 1.00 0.00 H new ATOM 0 HE ARG A 25 124.603 -13.911 -2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 25 125.657 -12.831 0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 25 125.188 -14.183 1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 25 123.019 -15.564 -1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 25 123.708 -15.716 0.501 1.00 0.00 H new ATOM 398 N LYS A 26 127.859 -11.435 0.564 1.00 0.00 N ATOM 399 CA LYS A 26 128.148 -11.807 1.975 1.00 0.00 C ATOM 400 C LYS A 26 128.761 -10.600 2.688 1.00 0.00 C ATOM 401 O LYS A 26 128.339 -10.216 3.760 1.00 0.00 O ATOM 402 CB LYS A 26 129.137 -12.979 1.994 1.00 0.00 C ATOM 403 CG LYS A 26 129.300 -13.496 3.424 1.00 0.00 C ATOM 404 CD LYS A 26 130.160 -14.763 3.413 1.00 0.00 C ATOM 405 CE LYS A 26 130.412 -15.223 4.849 1.00 0.00 C ATOM 406 NZ LYS A 26 131.429 -16.313 4.848 1.00 0.00 N ATOM 0 H LYS A 26 128.341 -11.996 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 26 127.230 -12.103 2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.779 -13.780 1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 26 130.102 -12.659 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.766 -12.733 4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.323 -13.710 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 26 129.658 -15.551 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 26 131.108 -14.567 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 26 130.760 -14.386 5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 26 129.484 -15.577 5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 131.602 -16.627 5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 131.080 -17.113 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 132.316 -15.960 4.436 1.00 0.00 H new ATOM 420 N GLU A 27 129.758 -10.002 2.093 1.00 0.00 N ATOM 421 CA GLU A 27 130.407 -8.820 2.724 1.00 0.00 C ATOM 422 C GLU A 27 129.425 -7.644 2.767 1.00 0.00 C ATOM 423 O GLU A 27 129.353 -6.922 3.743 1.00 0.00 O ATOM 424 CB GLU A 27 131.632 -8.416 1.899 1.00 0.00 C ATOM 425 CG GLU A 27 132.728 -9.471 2.055 1.00 0.00 C ATOM 426 CD GLU A 27 133.300 -9.413 3.472 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.277 -8.343 4.056 1.00 0.00 O ATOM 428 OE2 GLU A 27 133.752 -10.441 3.949 1.00 0.00 O ATOM 0 H GLU A 27 130.151 -10.283 1.195 1.00 0.00 H new ATOM 0 HA GLU A 27 130.708 -9.078 3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 27 131.358 -8.315 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 27 132.000 -7.444 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 27 132.322 -10.463 1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 27 133.519 -9.298 1.326 1.00 0.00 H new ATOM 435 N PHE A 28 128.678 -7.432 1.713 1.00 0.00 N ATOM 436 CA PHE A 28 127.721 -6.291 1.702 1.00 0.00 C ATOM 437 C PHE A 28 126.702 -6.430 2.837 1.00 0.00 C ATOM 438 O PHE A 28 126.468 -5.501 3.585 1.00 0.00 O ATOM 439 CB PHE A 28 126.986 -6.254 0.359 1.00 0.00 C ATOM 440 CG PHE A 28 125.868 -5.240 0.433 1.00 0.00 C ATOM 441 CD1 PHE A 28 126.100 -3.906 0.082 1.00 0.00 C ATOM 442 CD2 PHE A 28 124.604 -5.638 0.879 1.00 0.00 C ATOM 443 CE1 PHE A 28 125.064 -2.969 0.180 1.00 0.00 C ATOM 444 CE2 PHE A 28 123.569 -4.706 0.973 1.00 0.00 C ATOM 445 CZ PHE A 28 123.797 -3.370 0.625 1.00 0.00 C ATOM 0 H PHE A 28 128.691 -7.998 0.865 1.00 0.00 H new ATOM 0 HA PHE A 28 128.279 -5.366 1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.678 -5.992 -0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.584 -7.240 0.123 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.076 -3.599 -0.264 1.00 0.00 H new ATOM 0 HD2 PHE A 28 124.428 -6.668 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.241 -1.938 -0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 28 122.592 -5.016 1.314 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.997 -2.648 0.699 1.00 0.00 H new ATOM 455 N LEU A 29 126.082 -7.569 2.968 1.00 0.00 N ATOM 456 CA LEU A 29 125.075 -7.726 4.049 1.00 0.00 C ATOM 457 C LEU A 29 125.755 -7.497 5.397 1.00 0.00 C ATOM 458 O LEU A 29 125.230 -6.829 6.262 1.00 0.00 O ATOM 459 CB LEU A 29 124.477 -9.138 4.000 1.00 0.00 C ATOM 460 CG LEU A 29 123.659 -9.325 2.708 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.470 -10.820 2.438 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.274 -8.675 2.848 1.00 0.00 C ATOM 0 H LEU A 29 126.228 -8.389 2.379 1.00 0.00 H new ATOM 0 HA LEU A 29 124.274 -7.000 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.274 -9.880 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.840 -9.301 4.869 1.00 0.00 H new ATOM 0 HG LEU A 29 124.198 -8.854 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.891 -10.954 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.444 -11.295 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.940 -11.276 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.710 -8.817 1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.737 -9.137 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.390 -7.609 3.041 1.00 0.00 H new ATOM 474 N ASP A 30 126.924 -8.034 5.583 1.00 0.00 N ATOM 475 CA ASP A 30 127.628 -7.829 6.875 1.00 0.00 C ATOM 476 C ASP A 30 127.864 -6.334 7.102 1.00 0.00 C ATOM 477 O ASP A 30 127.744 -5.837 8.200 1.00 0.00 O ATOM 478 CB ASP A 30 128.976 -8.553 6.841 1.00 0.00 C ATOM 479 CG ASP A 30 128.745 -10.065 6.867 1.00 0.00 C ATOM 480 OD1 ASP A 30 127.669 -10.474 7.275 1.00 0.00 O ATOM 481 OD2 ASP A 30 129.645 -10.790 6.476 1.00 0.00 O ATOM 0 H ASP A 30 127.422 -8.604 4.899 1.00 0.00 H new ATOM 0 HA ASP A 30 127.017 -8.227 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 30 129.528 -8.274 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.584 -8.253 7.695 1.00 0.00 H new ATOM 486 N ASP A 31 128.217 -5.614 6.070 1.00 0.00 N ATOM 487 CA ASP A 31 128.484 -4.153 6.228 1.00 0.00 C ATOM 488 C ASP A 31 127.183 -3.369 6.439 1.00 0.00 C ATOM 489 O ASP A 31 127.054 -2.613 7.382 1.00 0.00 O ATOM 490 CB ASP A 31 129.187 -3.631 4.974 1.00 0.00 C ATOM 491 CG ASP A 31 129.649 -2.193 5.212 1.00 0.00 C ATOM 492 OD1 ASP A 31 129.149 -1.577 6.139 1.00 0.00 O ATOM 493 OD2 ASP A 31 130.494 -1.731 4.464 1.00 0.00 O ATOM 0 H ASP A 31 128.332 -5.975 5.123 1.00 0.00 H new ATOM 0 HA ASP A 31 129.116 -4.013 7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 31 130.041 -4.264 4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 31 128.510 -3.671 4.121 1.00 0.00 H new ATOM 498 N LEU A 32 126.226 -3.521 5.563 1.00 0.00 N ATOM 499 CA LEU A 32 124.951 -2.757 5.719 1.00 0.00 C ATOM 500 C LEU A 32 124.283 -3.106 7.044 1.00 0.00 C ATOM 501 O LEU A 32 123.973 -2.236 7.828 1.00 0.00 O ATOM 502 CB LEU A 32 124.020 -3.097 4.545 1.00 0.00 C ATOM 503 CG LEU A 32 122.602 -2.561 4.795 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.652 -1.070 5.132 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.769 -2.766 3.532 1.00 0.00 C ATOM 0 H LEU A 32 126.270 -4.136 4.751 1.00 0.00 H new ATOM 0 HA LEU A 32 125.163 -1.688 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.418 -2.669 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.985 -4.177 4.405 1.00 0.00 H new ATOM 0 HG LEU A 32 122.156 -3.096 5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.641 -0.702 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.253 -0.920 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.098 -0.524 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.760 -2.389 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.227 -2.227 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.725 -3.829 3.294 1.00 0.00 H new ATOM 517 N PHE A 33 124.061 -4.357 7.312 1.00 0.00 N ATOM 518 CA PHE A 33 123.410 -4.715 8.599 1.00 0.00 C ATOM 519 C PHE A 33 124.274 -4.221 9.764 1.00 0.00 C ATOM 520 O PHE A 33 123.765 -3.742 10.749 1.00 0.00 O ATOM 521 CB PHE A 33 123.217 -6.235 8.694 1.00 0.00 C ATOM 522 CG PHE A 33 121.995 -6.643 7.897 1.00 0.00 C ATOM 523 CD1 PHE A 33 122.054 -6.658 6.499 1.00 0.00 C ATOM 524 CD2 PHE A 33 120.806 -7.013 8.552 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.937 -7.044 5.752 1.00 0.00 C ATOM 526 CE2 PHE A 33 119.688 -7.397 7.797 1.00 0.00 C ATOM 527 CZ PHE A 33 119.755 -7.414 6.398 1.00 0.00 C ATOM 0 H PHE A 33 124.298 -5.141 6.704 1.00 0.00 H new ATOM 0 HA PHE A 33 122.431 -4.238 8.648 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.100 -6.748 8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.100 -6.532 9.736 1.00 0.00 H new ATOM 0 HD1 PHE A 33 122.965 -6.371 5.996 1.00 0.00 H new ATOM 0 HD2 PHE A 33 120.754 -7.001 9.631 1.00 0.00 H new ATOM 0 HE1 PHE A 33 120.988 -7.056 4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 33 118.773 -7.680 8.296 1.00 0.00 H new ATOM 0 HZ PHE A 33 118.894 -7.713 5.819 1.00 0.00 H new ATOM 537 N SER A 34 125.575 -4.342 9.664 1.00 0.00 N ATOM 538 CA SER A 34 126.459 -3.902 10.789 1.00 0.00 C ATOM 539 C SER A 34 126.272 -2.412 11.098 1.00 0.00 C ATOM 540 O SER A 34 126.120 -2.029 12.241 1.00 0.00 O ATOM 541 CB SER A 34 127.923 -4.153 10.419 1.00 0.00 C ATOM 542 OG SER A 34 128.187 -5.548 10.466 1.00 0.00 O ATOM 0 H SER A 34 126.063 -4.725 8.854 1.00 0.00 H new ATOM 0 HA SER A 34 126.186 -4.477 11.674 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.129 -3.766 9.421 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.580 -3.623 11.109 1.00 0.00 H new ATOM 0 HG SER A 34 128.281 -5.894 9.554 1.00 0.00 H new ATOM 548 N PHE A 35 126.284 -1.561 10.112 1.00 0.00 N ATOM 549 CA PHE A 35 126.107 -0.108 10.407 1.00 0.00 C ATOM 550 C PHE A 35 124.792 0.084 11.156 1.00 0.00 C ATOM 551 O PHE A 35 124.757 0.614 12.246 1.00 0.00 O ATOM 552 CB PHE A 35 126.073 0.675 9.092 1.00 0.00 C ATOM 553 CG PHE A 35 126.018 2.156 9.380 1.00 0.00 C ATOM 554 CD1 PHE A 35 124.781 2.791 9.553 1.00 0.00 C ATOM 555 CD2 PHE A 35 127.203 2.895 9.472 1.00 0.00 C ATOM 556 CE1 PHE A 35 124.731 4.165 9.819 1.00 0.00 C ATOM 557 CE2 PHE A 35 127.153 4.269 9.737 1.00 0.00 C ATOM 558 CZ PHE A 35 125.917 4.904 9.911 1.00 0.00 C ATOM 0 H PHE A 35 126.407 -1.800 9.128 1.00 0.00 H new ATOM 0 HA PHE A 35 126.934 0.255 11.018 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.957 0.443 8.497 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.205 0.377 8.503 1.00 0.00 H new ATOM 0 HD1 PHE A 35 123.866 2.221 9.481 1.00 0.00 H new ATOM 0 HD2 PHE A 35 128.156 2.405 9.339 1.00 0.00 H new ATOM 0 HE1 PHE A 35 123.778 4.655 9.953 1.00 0.00 H new ATOM 0 HE2 PHE A 35 128.068 4.839 9.807 1.00 0.00 H new ATOM 0 HZ PHE A 35 125.878 5.964 10.116 1.00 0.00 H new ATOM 568 N MET A 36 123.713 -0.355 10.584 1.00 0.00 N ATOM 569 CA MET A 36 122.396 -0.216 11.270 1.00 0.00 C ATOM 570 C MET A 36 122.325 -1.166 12.481 1.00 0.00 C ATOM 571 O MET A 36 121.485 -1.014 13.345 1.00 0.00 O ATOM 572 CB MET A 36 121.264 -0.524 10.282 1.00 0.00 C ATOM 573 CG MET A 36 121.462 -1.916 9.666 1.00 0.00 C ATOM 574 SD MET A 36 120.629 -3.150 10.691 1.00 0.00 S ATOM 575 CE MET A 36 118.948 -2.871 10.079 1.00 0.00 C ATOM 0 H MET A 36 123.681 -0.806 9.669 1.00 0.00 H new ATOM 0 HA MET A 36 122.285 0.808 11.628 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.303 -0.478 10.793 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.243 0.230 9.495 1.00 0.00 H new ATOM 0 HG2 MET A 36 121.061 -1.938 8.653 1.00 0.00 H new ATOM 0 HG3 MET A 36 122.525 -2.146 9.593 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.245 -2.918 10.911 1.00 0.00 H new ATOM 0 HE2 MET A 36 118.890 -1.889 9.610 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.695 -3.638 9.347 1.00 0.00 H new ATOM 585 N GLN A 37 123.196 -2.148 12.552 1.00 0.00 N ATOM 586 CA GLN A 37 123.158 -3.100 13.712 1.00 0.00 C ATOM 587 C GLN A 37 123.362 -2.323 15.007 1.00 0.00 C ATOM 588 O GLN A 37 123.172 -2.846 16.087 1.00 0.00 O ATOM 589 CB GLN A 37 124.251 -4.174 13.599 1.00 0.00 C ATOM 590 CG GLN A 37 124.144 -5.144 14.781 1.00 0.00 C ATOM 591 CD GLN A 37 124.950 -6.411 14.482 1.00 0.00 C ATOM 592 OE1 GLN A 37 125.673 -6.470 13.507 1.00 0.00 O ATOM 593 NE2 GLN A 37 124.852 -7.436 15.283 1.00 0.00 N ATOM 0 H GLN A 37 123.926 -2.331 11.863 1.00 0.00 H new ATOM 0 HA GLN A 37 122.187 -3.596 13.708 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.146 -4.717 12.660 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.235 -3.706 13.588 1.00 0.00 H new ATOM 0 HG2 GLN A 37 124.517 -4.669 15.689 1.00 0.00 H new ATOM 0 HG3 GLN A 37 123.100 -5.399 14.961 1.00 0.00 H new ATOM 0 HE21 GLN A 37 124.245 -7.387 16.102 1.00 0.00 H new ATOM 0 HE22 GLN A 37 125.382 -8.286 15.091 1.00 0.00 H new ATOM 602 N LYS A 38 123.741 -1.075 14.919 1.00 0.00 N ATOM 603 CA LYS A 38 123.948 -0.284 16.165 1.00 0.00 C ATOM 604 C LYS A 38 122.735 -0.487 17.076 1.00 0.00 C ATOM 605 O LYS A 38 122.872 -0.665 18.270 1.00 0.00 O ATOM 606 CB LYS A 38 124.114 1.198 15.812 1.00 0.00 C ATOM 607 CG LYS A 38 125.520 1.446 15.262 1.00 0.00 C ATOM 608 CD LYS A 38 125.674 2.930 14.914 1.00 0.00 C ATOM 609 CE LYS A 38 127.078 3.197 14.361 1.00 0.00 C ATOM 610 NZ LYS A 38 127.132 2.805 12.924 1.00 0.00 N ATOM 0 H LYS A 38 123.914 -0.574 14.047 1.00 0.00 H new ATOM 0 HA LYS A 38 124.849 -0.616 16.681 1.00 0.00 H new ATOM 0 HB2 LYS A 38 123.368 1.491 15.073 1.00 0.00 H new ATOM 0 HB3 LYS A 38 123.946 1.813 16.696 1.00 0.00 H new ATOM 0 HG2 LYS A 38 126.268 1.154 15.999 1.00 0.00 H new ATOM 0 HG3 LYS A 38 125.690 0.834 14.376 1.00 0.00 H new ATOM 0 HD2 LYS A 38 124.924 3.219 14.178 1.00 0.00 H new ATOM 0 HD3 LYS A 38 125.502 3.540 15.801 1.00 0.00 H new ATOM 0 HE2 LYS A 38 127.328 4.252 14.470 1.00 0.00 H new ATOM 0 HE3 LYS A 38 127.817 2.633 14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 128.048 2.356 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 126.364 2.134 12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 127.022 3.651 12.329 1.00 0.00 H new ATOM 624 N ARG A 39 121.552 -0.523 16.524 1.00 0.00 N ATOM 625 CA ARG A 39 120.362 -0.784 17.376 1.00 0.00 C ATOM 626 C ARG A 39 120.436 -2.246 17.828 1.00 0.00 C ATOM 627 O ARG A 39 120.171 -2.568 18.970 1.00 0.00 O ATOM 628 CB ARG A 39 119.076 -0.541 16.587 1.00 0.00 C ATOM 629 CG ARG A 39 118.967 0.946 16.248 1.00 0.00 C ATOM 630 CD ARG A 39 117.564 1.251 15.723 1.00 0.00 C ATOM 631 NE ARG A 39 116.585 1.145 16.840 1.00 0.00 N ATOM 632 CZ ARG A 39 115.312 1.016 16.583 1.00 0.00 C ATOM 633 NH1 ARG A 39 114.820 -0.161 16.314 1.00 0.00 N ATOM 634 NH2 ARG A 39 114.534 2.064 16.596 1.00 0.00 N ATOM 0 H ARG A 39 121.361 -0.384 15.532 1.00 0.00 H new ATOM 0 HA ARG A 39 120.354 -0.114 18.235 1.00 0.00 H new ATOM 0 HB2 ARG A 39 119.078 -1.135 15.673 1.00 0.00 H new ATOM 0 HB3 ARG A 39 118.212 -0.857 17.171 1.00 0.00 H new ATOM 0 HG2 ARG A 39 119.174 1.547 17.133 1.00 0.00 H new ATOM 0 HG3 ARG A 39 119.713 1.214 15.500 1.00 0.00 H new ATOM 0 HD2 ARG A 39 117.534 2.252 15.292 1.00 0.00 H new ATOM 0 HD3 ARG A 39 117.302 0.554 14.927 1.00 0.00 H new ATOM 0 HE ARG A 39 116.910 1.173 17.807 1.00 0.00 H new ATOM 0 HH11 ARG A 39 115.430 -0.979 16.305 1.00 0.00 H new ATOM 0 HH12 ARG A 39 113.825 -0.264 16.113 1.00 0.00 H new ATOM 0 HH21 ARG A 39 114.921 2.984 16.807 1.00 0.00 H new ATOM 0 HH22 ARG A 39 113.539 1.963 16.395 1.00 0.00 H new ATOM 648 N GLY A 40 120.841 -3.127 16.936 1.00 0.00 N ATOM 649 CA GLY A 40 120.993 -4.578 17.291 1.00 0.00 C ATOM 650 C GLY A 40 119.977 -5.460 16.553 1.00 0.00 C ATOM 651 O GLY A 40 120.108 -6.669 16.553 1.00 0.00 O ATOM 0 H GLY A 40 121.074 -2.899 15.970 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.003 -4.907 17.047 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.868 -4.703 18.367 1.00 0.00 H new ATOM 655 N THR A 41 118.964 -4.891 15.935 1.00 0.00 N ATOM 656 CA THR A 41 117.941 -5.734 15.214 1.00 0.00 C ATOM 657 C THR A 41 118.011 -5.496 13.691 1.00 0.00 C ATOM 658 O THR A 41 118.393 -4.429 13.251 1.00 0.00 O ATOM 659 CB THR A 41 116.544 -5.361 15.736 1.00 0.00 C ATOM 660 OG1 THR A 41 116.469 -3.953 15.907 1.00 0.00 O ATOM 661 CG2 THR A 41 116.294 -6.051 17.081 1.00 0.00 C ATOM 0 H THR A 41 118.799 -3.885 15.897 1.00 0.00 H new ATOM 0 HA THR A 41 118.146 -6.788 15.401 1.00 0.00 H new ATOM 0 HB THR A 41 115.790 -5.686 15.019 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.579 -3.711 16.238 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.303 -5.784 17.448 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.355 -7.132 16.952 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.046 -5.728 17.801 1.00 0.00 H new ATOM 669 N PRO A 42 117.640 -6.481 12.883 1.00 0.00 N ATOM 670 CA PRO A 42 117.676 -6.318 11.398 1.00 0.00 C ATOM 671 C PRO A 42 116.902 -5.077 10.913 1.00 0.00 C ATOM 672 O PRO A 42 116.509 -4.232 11.691 1.00 0.00 O ATOM 673 CB PRO A 42 117.014 -7.623 10.896 1.00 0.00 C ATOM 674 CG PRO A 42 116.613 -8.478 12.115 1.00 0.00 C ATOM 675 CD PRO A 42 117.174 -7.812 13.380 1.00 0.00 C ATOM 0 HA PRO A 42 118.687 -6.162 11.022 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.137 -7.393 10.292 1.00 0.00 H new ATOM 0 HB3 PRO A 42 117.704 -8.175 10.258 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.528 -8.561 12.180 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.005 -9.490 12.014 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.413 -7.710 14.153 1.00 0.00 H new ATOM 0 HD3 PRO A 42 117.991 -8.390 13.812 1.00 0.00 H new ATOM 683 N ILE A 43 116.690 -4.979 9.624 1.00 0.00 N ATOM 684 CA ILE A 43 115.950 -3.814 9.050 1.00 0.00 C ATOM 685 C ILE A 43 114.547 -3.738 9.680 1.00 0.00 C ATOM 686 O ILE A 43 114.337 -4.179 10.792 1.00 0.00 O ATOM 687 CB ILE A 43 115.886 -3.986 7.510 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.749 -2.601 6.821 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.707 -4.902 7.103 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.129 -1.969 6.607 1.00 0.00 C ATOM 0 H ILE A 43 117.002 -5.665 8.937 1.00 0.00 H new ATOM 0 HA ILE A 43 116.460 -2.877 9.273 1.00 0.00 H new ATOM 0 HB ILE A 43 116.813 -4.457 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.241 -2.713 5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 43 115.132 -1.943 7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.685 -5.006 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.835 -5.884 7.559 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.770 -4.462 7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 43 117.014 -0.999 6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.622 -1.838 7.570 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.733 -2.620 5.975 1.00 0.00 H new ATOM 702 N ASN A 44 113.586 -3.186 8.990 1.00 0.00 N ATOM 703 CA ASN A 44 112.217 -3.091 9.572 1.00 0.00 C ATOM 704 C ASN A 44 111.510 -4.436 9.401 1.00 0.00 C ATOM 705 O ASN A 44 111.136 -5.079 10.362 1.00 0.00 O ATOM 706 CB ASN A 44 111.424 -2.011 8.831 1.00 0.00 C ATOM 707 CG ASN A 44 112.182 -0.683 8.886 1.00 0.00 C ATOM 708 OD1 ASN A 44 112.993 -0.399 8.026 1.00 0.00 O ATOM 709 ND2 ASN A 44 111.945 0.152 9.858 1.00 0.00 N ATOM 0 H ASN A 44 113.689 -2.798 8.052 1.00 0.00 H new ATOM 0 HA ASN A 44 112.283 -2.836 10.630 1.00 0.00 H new ATOM 0 HB2 ASN A 44 111.268 -2.309 7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 44 110.438 -1.897 9.282 1.00 0.00 H new ATOM 0 HD21 ASN A 44 112.440 1.043 9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 44 111.265 -0.086 10.580 1.00 0.00 H new ATOM 716 N ARG A 45 111.340 -4.877 8.183 1.00 0.00 N ATOM 717 CA ARG A 45 110.674 -6.191 7.942 1.00 0.00 C ATOM 718 C ARG A 45 111.243 -6.831 6.677 1.00 0.00 C ATOM 719 O ARG A 45 111.803 -6.169 5.826 1.00 0.00 O ATOM 720 CB ARG A 45 109.163 -6.001 7.776 1.00 0.00 C ATOM 721 CG ARG A 45 108.519 -5.748 9.140 1.00 0.00 C ATOM 722 CD ARG A 45 107.011 -5.574 8.959 1.00 0.00 C ATOM 723 NE ARG A 45 106.445 -6.808 8.337 1.00 0.00 N ATOM 724 CZ ARG A 45 105.367 -6.741 7.601 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.235 -6.369 8.132 1.00 0.00 N ATOM 726 NH2 ARG A 45 105.423 -7.048 6.333 1.00 0.00 N ATOM 0 H ARG A 45 111.635 -4.382 7.341 1.00 0.00 H new ATOM 0 HA ARG A 45 110.859 -6.838 8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.964 -5.162 7.109 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.724 -6.886 7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.723 -6.582 9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.948 -4.857 9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.536 -5.387 9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.806 -4.708 8.329 1.00 0.00 H new ATOM 0 HE ARG A 45 106.902 -7.707 8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.190 -6.130 9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.394 -6.317 7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 45 106.308 -7.340 5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 45 104.582 -6.996 5.758 1.00 0.00 H new ATOM 740 N LEU A 46 111.092 -8.122 6.556 1.00 0.00 N ATOM 741 CA LEU A 46 111.600 -8.854 5.358 1.00 0.00 C ATOM 742 C LEU A 46 110.459 -9.726 4.822 1.00 0.00 C ATOM 743 O LEU A 46 110.401 -10.904 5.110 1.00 0.00 O ATOM 744 CB LEU A 46 112.772 -9.753 5.767 1.00 0.00 C ATOM 745 CG LEU A 46 113.850 -8.921 6.477 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.800 -9.854 7.234 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.648 -8.106 5.453 1.00 0.00 C ATOM 0 H LEU A 46 110.630 -8.711 7.249 1.00 0.00 H new ATOM 0 HA LEU A 46 111.938 -8.151 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.420 -10.546 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 46 113.195 -10.236 4.886 1.00 0.00 H new ATOM 0 HG LEU A 46 113.367 -8.239 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.565 -9.263 7.738 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.237 -10.425 7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.275 -10.539 6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.409 -7.520 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 46 115.127 -8.781 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.975 -7.436 4.917 1.00 0.00 H new ATOM 759 N PRO A 47 109.531 -9.162 4.077 1.00 0.00 N ATOM 760 CA PRO A 47 108.389 -9.965 3.568 1.00 0.00 C ATOM 761 C PRO A 47 108.858 -11.132 2.695 1.00 0.00 C ATOM 762 O PRO A 47 109.762 -10.998 1.893 1.00 0.00 O ATOM 763 CB PRO A 47 107.557 -8.929 2.782 1.00 0.00 C ATOM 764 CG PRO A 47 108.254 -7.555 2.890 1.00 0.00 C ATOM 765 CD PRO A 47 109.565 -7.726 3.680 1.00 0.00 C ATOM 0 HA PRO A 47 107.814 -10.447 4.359 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.469 -9.228 1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.545 -8.873 3.184 1.00 0.00 H new ATOM 0 HG2 PRO A 47 108.461 -7.157 1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 47 107.602 -6.839 3.391 1.00 0.00 H new ATOM 0 HD2 PRO A 47 110.438 -7.497 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.602 -7.068 4.548 1.00 0.00 H new ATOM 773 N ILE A 48 108.257 -12.282 2.861 1.00 0.00 N ATOM 774 CA ILE A 48 108.663 -13.473 2.068 1.00 0.00 C ATOM 775 C ILE A 48 107.661 -13.680 0.941 1.00 0.00 C ATOM 776 O ILE A 48 106.473 -13.799 1.161 1.00 0.00 O ATOM 777 CB ILE A 48 108.651 -14.710 2.968 1.00 0.00 C ATOM 778 CG1 ILE A 48 109.417 -14.422 4.267 1.00 0.00 C ATOM 779 CG2 ILE A 48 109.316 -15.878 2.234 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.787 -13.819 3.951 1.00 0.00 C ATOM 0 H ILE A 48 107.495 -12.445 3.519 1.00 0.00 H new ATOM 0 HA ILE A 48 109.663 -13.320 1.662 1.00 0.00 H new ATOM 0 HB ILE A 48 107.620 -14.966 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.845 -13.735 4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 48 109.540 -15.343 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 48 109.309 -16.761 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.768 -16.090 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 48 110.345 -15.615 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 48 111.320 -13.619 4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 48 111.362 -14.520 3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.656 -12.887 3.401 1.00 0.00 H new ATOM 792 N MET A 49 108.136 -13.733 -0.263 1.00 0.00 N ATOM 793 CA MET A 49 107.224 -13.946 -1.421 1.00 0.00 C ATOM 794 C MET A 49 107.073 -15.443 -1.670 1.00 0.00 C ATOM 795 O MET A 49 107.940 -16.088 -2.222 1.00 0.00 O ATOM 796 CB MET A 49 107.802 -13.255 -2.663 1.00 0.00 C ATOM 797 CG MET A 49 107.502 -11.758 -2.589 1.00 0.00 C ATOM 798 SD MET A 49 108.179 -10.926 -4.050 1.00 0.00 S ATOM 799 CE MET A 49 109.938 -11.109 -3.655 1.00 0.00 C ATOM 0 H MET A 49 109.123 -13.638 -0.502 1.00 0.00 H new ATOM 0 HA MET A 49 106.244 -13.519 -1.206 1.00 0.00 H new ATOM 0 HB2 MET A 49 108.878 -13.420 -2.719 1.00 0.00 H new ATOM 0 HB3 MET A 49 107.367 -13.681 -3.567 1.00 0.00 H new ATOM 0 HG2 MET A 49 106.426 -11.595 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 49 107.937 -11.335 -1.683 1.00 0.00 H new ATOM 0 HE1 MET A 49 110.506 -10.322 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 49 110.078 -11.034 -2.577 1.00 0.00 H new ATOM 0 HE3 MET A 49 110.289 -12.082 -4.000 1.00 0.00 H new ATOM 809 N ALA A 50 105.962 -15.989 -1.265 1.00 0.00 N ATOM 810 CA ALA A 50 105.708 -17.443 -1.462 1.00 0.00 C ATOM 811 C ALA A 50 106.970 -18.262 -1.148 1.00 0.00 C ATOM 812 O ALA A 50 107.189 -18.669 -0.024 1.00 0.00 O ATOM 813 CB ALA A 50 105.296 -17.659 -2.924 1.00 0.00 C ATOM 0 H ALA A 50 105.209 -15.483 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 50 104.918 -17.774 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 50 105.104 -18.718 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 50 104.392 -17.087 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 50 106.099 -17.325 -3.581 1.00 0.00 H new ATOM 819 N LYS A 51 107.790 -18.514 -2.139 1.00 0.00 N ATOM 820 CA LYS A 51 109.036 -19.322 -1.922 1.00 0.00 C ATOM 821 C LYS A 51 110.273 -18.435 -2.088 1.00 0.00 C ATOM 822 O LYS A 51 111.382 -18.848 -1.809 1.00 0.00 O ATOM 823 CB LYS A 51 109.081 -20.454 -2.953 1.00 0.00 C ATOM 824 CG LYS A 51 108.966 -19.866 -4.366 1.00 0.00 C ATOM 825 CD LYS A 51 108.848 -20.996 -5.408 1.00 0.00 C ATOM 826 CE LYS A 51 110.242 -21.485 -5.820 1.00 0.00 C ATOM 827 NZ LYS A 51 110.907 -20.443 -6.653 1.00 0.00 N ATOM 0 H LYS A 51 107.650 -18.193 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 51 109.028 -19.735 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.012 -21.012 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 51 108.267 -21.157 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 51 108.094 -19.214 -4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 51 109.839 -19.251 -4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.272 -21.824 -4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 51 108.307 -20.638 -6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 51 110.842 -21.696 -4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 51 110.162 -22.417 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 111.629 -20.888 -7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 110.199 -19.974 -7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 111.358 -19.739 -6.034 1.00 0.00 H new ATOM 841 N SER A 52 110.093 -17.222 -2.536 1.00 0.00 N ATOM 842 CA SER A 52 111.256 -16.300 -2.722 1.00 0.00 C ATOM 843 C SER A 52 111.329 -15.332 -1.537 1.00 0.00 C ATOM 844 O SER A 52 110.359 -15.126 -0.836 1.00 0.00 O ATOM 845 CB SER A 52 111.073 -15.514 -4.023 1.00 0.00 C ATOM 846 OG SER A 52 111.379 -16.360 -5.125 1.00 0.00 O ATOM 0 H SER A 52 109.186 -16.826 -2.783 1.00 0.00 H new ATOM 0 HA SER A 52 112.180 -16.875 -2.774 1.00 0.00 H new ATOM 0 HB2 SER A 52 110.049 -15.150 -4.101 1.00 0.00 H new ATOM 0 HB3 SER A 52 111.723 -14.639 -4.029 1.00 0.00 H new ATOM 0 HG SER A 52 111.262 -15.863 -5.961 1.00 0.00 H new ATOM 852 N VAL A 53 112.479 -14.743 -1.310 1.00 0.00 N ATOM 853 CA VAL A 53 112.645 -13.784 -0.169 1.00 0.00 C ATOM 854 C VAL A 53 112.989 -12.403 -0.732 1.00 0.00 C ATOM 855 O VAL A 53 113.866 -12.264 -1.560 1.00 0.00 O ATOM 856 CB VAL A 53 113.790 -14.257 0.738 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.929 -13.304 1.936 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.503 -15.683 1.234 1.00 0.00 C ATOM 0 H VAL A 53 113.318 -14.887 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 53 111.722 -13.735 0.409 1.00 0.00 H new ATOM 0 HB VAL A 53 114.722 -14.257 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.742 -13.643 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 53 114.145 -12.298 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 53 112.999 -13.295 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 53 114.318 -16.015 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.570 -15.691 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 53 113.418 -16.355 0.380 1.00 0.00 H new ATOM 868 N LEU A 54 112.297 -11.382 -0.304 1.00 0.00 N ATOM 869 CA LEU A 54 112.584 -10.020 -0.839 1.00 0.00 C ATOM 870 C LEU A 54 114.034 -9.640 -0.522 1.00 0.00 C ATOM 871 O LEU A 54 114.346 -9.187 0.562 1.00 0.00 O ATOM 872 CB LEU A 54 111.637 -9.012 -0.178 1.00 0.00 C ATOM 873 CG LEU A 54 111.776 -7.638 -0.851 1.00 0.00 C ATOM 874 CD1 LEU A 54 111.191 -7.677 -2.276 1.00 0.00 C ATOM 875 CD2 LEU A 54 111.027 -6.597 -0.011 1.00 0.00 C ATOM 0 H LEU A 54 111.550 -11.431 0.389 1.00 0.00 H new ATOM 0 HA LEU A 54 112.437 -10.012 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.608 -9.362 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.865 -8.930 0.885 1.00 0.00 H new ATOM 0 HG LEU A 54 112.831 -7.373 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.297 -6.696 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.726 -8.418 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.135 -7.944 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.119 -5.617 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.974 -6.871 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.455 -6.562 0.991 1.00 0.00 H new ATOM 887 N ASP A 55 114.921 -9.818 -1.465 1.00 0.00 N ATOM 888 CA ASP A 55 116.352 -9.467 -1.229 1.00 0.00 C ATOM 889 C ASP A 55 116.519 -7.942 -1.192 1.00 0.00 C ATOM 890 O ASP A 55 116.240 -7.254 -2.155 1.00 0.00 O ATOM 891 CB ASP A 55 117.208 -10.047 -2.356 1.00 0.00 C ATOM 892 CG ASP A 55 118.688 -9.910 -1.999 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.992 -9.123 -1.117 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.491 -10.595 -2.609 1.00 0.00 O ATOM 0 H ASP A 55 114.715 -10.192 -2.391 1.00 0.00 H new ATOM 0 HA ASP A 55 116.671 -9.883 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.957 -11.096 -2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.999 -9.525 -3.290 1.00 0.00 H new ATOM 899 N LEU A 56 116.980 -7.410 -0.092 1.00 0.00 N ATOM 900 CA LEU A 56 117.176 -5.931 0.010 1.00 0.00 C ATOM 901 C LEU A 56 118.169 -5.455 -1.053 1.00 0.00 C ATOM 902 O LEU A 56 118.011 -4.401 -1.636 1.00 0.00 O ATOM 903 CB LEU A 56 117.740 -5.581 1.390 1.00 0.00 C ATOM 904 CG LEU A 56 116.753 -5.982 2.495 1.00 0.00 C ATOM 905 CD1 LEU A 56 117.486 -5.991 3.837 1.00 0.00 C ATOM 906 CD2 LEU A 56 115.591 -4.979 2.571 1.00 0.00 C ATOM 0 H LEU A 56 117.231 -7.937 0.745 1.00 0.00 H new ATOM 0 HA LEU A 56 116.213 -5.443 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 56 118.690 -6.093 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 56 117.942 -4.511 1.446 1.00 0.00 H new ATOM 0 HG LEU A 56 116.354 -6.971 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 56 116.792 -6.275 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 56 118.306 -6.708 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 56 117.883 -4.997 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 56 114.902 -5.280 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 56 115.982 -3.985 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 56 115.064 -4.959 1.617 1.00 0.00 H new ATOM 918 N TYR A 57 119.211 -6.208 -1.287 1.00 0.00 N ATOM 919 CA TYR A 57 120.236 -5.786 -2.286 1.00 0.00 C ATOM 920 C TYR A 57 119.541 -5.304 -3.567 1.00 0.00 C ATOM 921 O TYR A 57 119.927 -4.315 -4.159 1.00 0.00 O ATOM 922 CB TYR A 57 121.157 -6.987 -2.603 1.00 0.00 C ATOM 923 CG TYR A 57 122.549 -6.510 -2.988 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.725 -5.679 -4.102 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.664 -6.898 -2.227 1.00 0.00 C ATOM 926 CE1 TYR A 57 124.003 -5.235 -4.453 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.945 -6.455 -2.580 1.00 0.00 C ATOM 928 CZ TYR A 57 125.114 -5.620 -3.693 1.00 0.00 C ATOM 929 OH TYR A 57 126.375 -5.182 -4.042 1.00 0.00 O ATOM 0 H TYR A 57 119.397 -7.100 -0.828 1.00 0.00 H new ATOM 0 HA TYR A 57 120.832 -4.969 -1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.219 -7.643 -1.735 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.730 -7.574 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.871 -5.381 -4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.533 -7.539 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 57 124.134 -4.594 -5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.802 -6.756 -1.995 1.00 0.00 H new ATOM 0 HH TYR A 57 127.032 -5.540 -3.410 1.00 0.00 H new ATOM 939 N GLU A 58 118.523 -5.991 -4.004 1.00 0.00 N ATOM 940 CA GLU A 58 117.833 -5.565 -5.254 1.00 0.00 C ATOM 941 C GLU A 58 117.253 -4.156 -5.098 1.00 0.00 C ATOM 942 O GLU A 58 117.328 -3.353 -6.004 1.00 0.00 O ATOM 943 CB GLU A 58 116.704 -6.548 -5.576 1.00 0.00 C ATOM 944 CG GLU A 58 117.296 -7.881 -6.037 1.00 0.00 C ATOM 945 CD GLU A 58 116.163 -8.859 -6.357 1.00 0.00 C ATOM 946 OE1 GLU A 58 115.028 -8.544 -6.038 1.00 0.00 O ATOM 947 OE2 GLU A 58 116.449 -9.906 -6.914 1.00 0.00 O ATOM 0 H GLU A 58 118.141 -6.823 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 58 118.559 -5.556 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 58 116.080 -6.701 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 58 116.061 -6.136 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 58 117.919 -7.729 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 58 117.939 -8.294 -5.259 1.00 0.00 H new ATOM 954 N LEU A 59 116.690 -3.829 -3.969 1.00 0.00 N ATOM 955 CA LEU A 59 116.138 -2.453 -3.814 1.00 0.00 C ATOM 956 C LEU A 59 117.281 -1.454 -4.002 1.00 0.00 C ATOM 957 O LEU A 59 117.172 -0.500 -4.747 1.00 0.00 O ATOM 958 CB LEU A 59 115.511 -2.284 -2.416 1.00 0.00 C ATOM 959 CG LEU A 59 114.934 -0.862 -2.240 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.700 -0.667 -3.134 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.529 -0.657 -0.775 1.00 0.00 C ATOM 0 H LEU A 59 116.588 -4.441 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 59 115.361 -2.278 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.721 -3.022 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 59 116.263 -2.473 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 59 115.696 -0.137 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.307 0.340 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 59 113.981 -0.808 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.935 -1.395 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 59 114.121 0.346 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.774 -1.393 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 59 115.403 -0.777 -0.136 1.00 0.00 H new ATOM 973 N TYR A 60 118.376 -1.658 -3.317 1.00 0.00 N ATOM 974 CA TYR A 60 119.521 -0.712 -3.444 1.00 0.00 C ATOM 975 C TYR A 60 120.039 -0.648 -4.887 1.00 0.00 C ATOM 976 O TYR A 60 120.232 0.421 -5.430 1.00 0.00 O ATOM 977 CB TYR A 60 120.670 -1.135 -2.526 1.00 0.00 C ATOM 978 CG TYR A 60 121.675 -0.015 -2.525 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.335 1.200 -1.928 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.917 -0.165 -3.154 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.224 2.266 -1.957 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.818 0.906 -3.174 1.00 0.00 C ATOM 983 CZ TYR A 60 123.467 2.123 -2.575 1.00 0.00 C ATOM 984 OH TYR A 60 124.333 3.189 -2.607 1.00 0.00 O ATOM 0 H TYR A 60 118.526 -2.438 -2.677 1.00 0.00 H new ATOM 0 HA TYR A 60 119.158 0.274 -3.154 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.306 -1.326 -1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 60 121.125 -2.060 -2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.377 1.311 -1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.179 -1.103 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.953 3.207 -1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.781 0.795 -3.650 1.00 0.00 H new ATOM 0 HH TYR A 60 125.156 2.928 -3.072 1.00 0.00 H new ATOM 994 N ASN A 61 120.299 -1.770 -5.508 1.00 0.00 N ATOM 995 CA ASN A 61 120.840 -1.729 -6.899 1.00 0.00 C ATOM 996 C ASN A 61 119.842 -1.003 -7.818 1.00 0.00 C ATOM 997 O ASN A 61 120.223 -0.204 -8.650 1.00 0.00 O ATOM 998 CB ASN A 61 121.107 -3.178 -7.382 1.00 0.00 C ATOM 999 CG ASN A 61 119.941 -3.719 -8.217 1.00 0.00 C ATOM 1000 OD1 ASN A 61 118.867 -3.942 -7.705 1.00 0.00 O ATOM 1001 ND2 ASN A 61 120.116 -3.940 -9.491 1.00 0.00 N ATOM 0 H ASN A 61 120.162 -2.702 -5.117 1.00 0.00 H new ATOM 0 HA ASN A 61 121.781 -1.179 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 61 122.021 -3.202 -7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.269 -3.825 -6.520 1.00 0.00 H new ATOM 0 HD21 ASN A 61 119.347 -4.301 -10.056 1.00 0.00 H new ATOM 0 HD22 ASN A 61 121.021 -3.752 -9.922 1.00 0.00 H new ATOM 1008 N LEU A 62 118.572 -1.263 -7.663 1.00 0.00 N ATOM 1009 CA LEU A 62 117.562 -0.574 -8.520 1.00 0.00 C ATOM 1010 C LEU A 62 117.623 0.936 -8.270 1.00 0.00 C ATOM 1011 O LEU A 62 117.496 1.730 -9.175 1.00 0.00 O ATOM 1012 CB LEU A 62 116.154 -1.071 -8.165 1.00 0.00 C ATOM 1013 CG LEU A 62 115.955 -2.525 -8.619 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.652 -3.059 -8.014 1.00 0.00 C ATOM 1015 CD2 LEU A 62 115.876 -2.608 -10.156 1.00 0.00 C ATOM 0 H LEU A 62 118.190 -1.920 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 62 117.779 -0.791 -9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.999 -0.997 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.408 -0.433 -8.639 1.00 0.00 H new ATOM 0 HG LEU A 62 116.802 -3.122 -8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.500 -4.091 -8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.712 -3.017 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.816 -2.449 -8.355 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.735 -3.646 -10.458 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.036 -2.010 -10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 62 116.801 -2.227 -10.589 1.00 0.00 H new ATOM 1027 N VAL A 63 117.790 1.331 -7.038 1.00 0.00 N ATOM 1028 CA VAL A 63 117.830 2.787 -6.713 1.00 0.00 C ATOM 1029 C VAL A 63 119.056 3.466 -7.335 1.00 0.00 C ATOM 1030 O VAL A 63 118.941 4.491 -7.979 1.00 0.00 O ATOM 1031 CB VAL A 63 117.857 2.933 -5.188 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.162 4.386 -4.795 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.486 2.521 -4.627 1.00 0.00 C ATOM 0 H VAL A 63 117.901 0.707 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 63 116.948 3.275 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 63 118.638 2.293 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.178 4.473 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.133 4.675 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.392 5.042 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.492 2.620 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.713 3.165 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.280 1.485 -4.895 1.00 0.00 H new ATOM 1043 N ILE A 64 120.224 2.921 -7.150 1.00 0.00 N ATOM 1044 CA ILE A 64 121.433 3.563 -7.735 1.00 0.00 C ATOM 1045 C ILE A 64 121.384 3.418 -9.257 1.00 0.00 C ATOM 1046 O ILE A 64 121.728 4.324 -9.989 1.00 0.00 O ATOM 1047 CB ILE A 64 122.690 2.872 -7.190 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.745 2.995 -5.657 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.939 3.522 -7.792 1.00 0.00 C ATOM 1050 CD1 ILE A 64 122.606 4.458 -5.213 1.00 0.00 C ATOM 0 H ILE A 64 120.394 2.065 -6.623 1.00 0.00 H new ATOM 0 HA ILE A 64 121.460 4.619 -7.468 1.00 0.00 H new ATOM 0 HB ILE A 64 122.654 1.818 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 64 121.947 2.400 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.688 2.589 -5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.830 3.029 -7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.914 3.422 -8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 64 123.964 4.579 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 64 122.648 4.514 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.419 5.046 -5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 64 121.652 4.854 -5.560 1.00 0.00 H new ATOM 1062 N ALA A 65 120.960 2.283 -9.738 1.00 0.00 N ATOM 1063 CA ALA A 65 120.889 2.077 -11.210 1.00 0.00 C ATOM 1064 C ALA A 65 120.128 3.238 -11.854 1.00 0.00 C ATOM 1065 O ALA A 65 120.179 3.434 -13.052 1.00 0.00 O ATOM 1066 CB ALA A 65 120.161 0.764 -11.506 1.00 0.00 C ATOM 0 H ALA A 65 120.659 1.488 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 65 121.898 2.034 -11.619 1.00 0.00 H new ATOM 0 HB1 ALA A 65 120.108 0.612 -12.584 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.703 -0.064 -11.049 1.00 0.00 H new ATOM 0 HB3 ALA A 65 119.152 0.807 -11.096 1.00 0.00 H new ATOM 1072 N ARG A 66 119.414 4.009 -11.072 1.00 0.00 N ATOM 1073 CA ARG A 66 118.642 5.157 -11.643 1.00 0.00 C ATOM 1074 C ARG A 66 119.457 6.448 -11.517 1.00 0.00 C ATOM 1075 O ARG A 66 119.253 7.387 -12.259 1.00 0.00 O ATOM 1076 CB ARG A 66 117.322 5.311 -10.877 1.00 0.00 C ATOM 1077 CG ARG A 66 116.473 4.038 -11.018 1.00 0.00 C ATOM 1078 CD ARG A 66 115.742 4.023 -12.365 1.00 0.00 C ATOM 1079 NE ARG A 66 114.831 2.845 -12.412 1.00 0.00 N ATOM 1080 CZ ARG A 66 115.329 1.640 -12.470 1.00 0.00 C ATOM 1081 NH1 ARG A 66 115.646 1.119 -13.624 1.00 0.00 N ATOM 1082 NH2 ARG A 66 115.511 0.956 -11.374 1.00 0.00 N ATOM 0 H ARG A 66 119.332 3.893 -10.062 1.00 0.00 H new ATOM 0 HA ARG A 66 118.437 4.964 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.525 5.506 -9.824 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.769 6.169 -11.259 1.00 0.00 H new ATOM 0 HG2 ARG A 66 117.111 3.158 -10.935 1.00 0.00 H new ATOM 0 HG3 ARG A 66 115.749 3.985 -10.205 1.00 0.00 H new ATOM 0 HD2 ARG A 66 115.173 4.944 -12.494 1.00 0.00 H new ATOM 0 HD3 ARG A 66 116.461 3.975 -13.183 1.00 0.00 H new ATOM 0 HE ARG A 66 113.820 2.980 -12.399 1.00 0.00 H new ATOM 0 HH11 ARG A 66 115.505 1.654 -14.481 1.00 0.00 H new ATOM 0 HH12 ARG A 66 116.035 0.177 -13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 66 115.264 1.363 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 66 115.900 0.014 -11.419 1.00 0.00 H new ATOM 1096 N GLY A 67 120.387 6.502 -10.592 1.00 0.00 N ATOM 1097 CA GLY A 67 121.225 7.737 -10.428 1.00 0.00 C ATOM 1098 C GLY A 67 121.341 8.106 -8.947 1.00 0.00 C ATOM 1099 O GLY A 67 122.211 8.862 -8.558 1.00 0.00 O ATOM 0 H GLY A 67 120.603 5.745 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 67 122.217 7.570 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.780 8.563 -10.982 1.00 0.00 H new ATOM 1103 N GLY A 68 120.474 7.587 -8.113 1.00 0.00 N ATOM 1104 CA GLY A 68 120.542 7.920 -6.653 1.00 0.00 C ATOM 1105 C GLY A 68 119.127 8.046 -6.087 1.00 0.00 C ATOM 1106 O GLY A 68 118.196 8.377 -6.794 1.00 0.00 O ATOM 0 H GLY A 68 119.724 6.949 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 68 121.090 7.144 -6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 68 121.087 8.853 -6.508 1.00 0.00 H new ATOM 1110 N LEU A 69 118.953 7.796 -4.814 1.00 0.00 N ATOM 1111 CA LEU A 69 117.592 7.918 -4.220 1.00 0.00 C ATOM 1112 C LEU A 69 117.081 9.347 -4.422 1.00 0.00 C ATOM 1113 O LEU A 69 115.930 9.560 -4.747 1.00 0.00 O ATOM 1114 CB LEU A 69 117.647 7.580 -2.722 1.00 0.00 C ATOM 1115 CG LEU A 69 116.269 7.793 -2.060 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.168 7.083 -2.865 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.292 7.223 -0.629 1.00 0.00 C ATOM 0 H LEU A 69 119.689 7.515 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 69 116.913 7.221 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 69 117.963 6.545 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.392 8.206 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 69 116.058 8.862 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.204 7.244 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.140 7.486 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.379 6.014 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.319 7.374 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.516 6.157 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 69 117.058 7.735 -0.046 1.00 0.00 H new ATOM 1129 N VAL A 70 117.927 10.331 -4.252 1.00 0.00 N ATOM 1130 CA VAL A 70 117.469 11.734 -4.460 1.00 0.00 C ATOM 1131 C VAL A 70 116.987 11.866 -5.908 1.00 0.00 C ATOM 1132 O VAL A 70 115.988 12.499 -6.187 1.00 0.00 O ATOM 1133 CB VAL A 70 118.633 12.717 -4.216 1.00 0.00 C ATOM 1134 CG1 VAL A 70 118.205 14.122 -4.664 1.00 0.00 C ATOM 1135 CG2 VAL A 70 119.030 12.745 -2.711 1.00 0.00 C ATOM 0 H VAL A 70 118.905 10.224 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 70 116.665 11.969 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 70 119.499 12.388 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 70 119.023 14.823 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.955 14.105 -5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 70 117.333 14.437 -4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.852 13.445 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 70 118.174 13.061 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.342 11.748 -2.398 1.00 0.00 H new ATOM 1145 N ASP A 71 117.689 11.259 -6.832 1.00 0.00 N ATOM 1146 CA ASP A 71 117.267 11.335 -8.260 1.00 0.00 C ATOM 1147 C ASP A 71 115.950 10.578 -8.437 1.00 0.00 C ATOM 1148 O ASP A 71 115.133 10.913 -9.267 1.00 0.00 O ATOM 1149 CB ASP A 71 118.337 10.708 -9.158 1.00 0.00 C ATOM 1150 CG ASP A 71 119.547 11.642 -9.253 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.397 12.810 -8.936 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.602 11.172 -9.645 1.00 0.00 O ATOM 0 H ASP A 71 118.534 10.716 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 71 117.135 12.380 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.642 9.742 -8.755 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.929 10.524 -10.152 1.00 0.00 H new ATOM 1157 N VAL A 72 115.744 9.547 -7.673 1.00 0.00 N ATOM 1158 CA VAL A 72 114.484 8.766 -7.804 1.00 0.00 C ATOM 1159 C VAL A 72 113.292 9.592 -7.296 1.00 0.00 C ATOM 1160 O VAL A 72 112.239 9.607 -7.903 1.00 0.00 O ATOM 1161 CB VAL A 72 114.614 7.476 -6.984 1.00 0.00 C ATOM 1162 CG1 VAL A 72 113.247 6.792 -6.849 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.584 6.527 -7.693 1.00 0.00 C ATOM 0 H VAL A 72 116.393 9.209 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 72 114.313 8.522 -8.853 1.00 0.00 H new ATOM 0 HB VAL A 72 114.988 7.722 -5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 72 113.354 5.878 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.552 7.465 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.863 6.547 -7.839 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.681 5.608 -7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 72 115.203 6.293 -8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.560 7.004 -7.782 1.00 0.00 H new ATOM 1173 N ILE A 73 113.433 10.260 -6.182 1.00 0.00 N ATOM 1174 CA ILE A 73 112.284 11.051 -5.644 1.00 0.00 C ATOM 1175 C ILE A 73 112.017 12.288 -6.502 1.00 0.00 C ATOM 1176 O ILE A 73 110.899 12.547 -6.902 1.00 0.00 O ATOM 1177 CB ILE A 73 112.591 11.524 -4.225 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.855 10.314 -3.323 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.382 12.299 -3.690 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.404 10.782 -1.969 1.00 0.00 C ATOM 0 H ILE A 73 114.286 10.293 -5.624 1.00 0.00 H new ATOM 0 HA ILE A 73 111.409 10.402 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 73 113.473 12.164 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.933 9.751 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.567 9.641 -3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 73 111.589 12.642 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.188 13.159 -4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.508 11.648 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.589 9.917 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.336 11.326 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 73 112.677 11.437 -1.488 1.00 0.00 H new ATOM 1192 N ASN A 74 113.024 13.078 -6.759 1.00 0.00 N ATOM 1193 CA ASN A 74 112.807 14.318 -7.554 1.00 0.00 C ATOM 1194 C ASN A 74 112.257 13.974 -8.944 1.00 0.00 C ATOM 1195 O ASN A 74 111.386 14.652 -9.454 1.00 0.00 O ATOM 1196 CB ASN A 74 114.119 15.105 -7.663 1.00 0.00 C ATOM 1197 CG ASN A 74 115.191 14.256 -8.339 1.00 0.00 C ATOM 1198 OD1 ASN A 74 114.945 13.130 -8.695 1.00 0.00 O ATOM 1199 ND2 ASN A 74 116.381 14.757 -8.528 1.00 0.00 N ATOM 0 H ASN A 74 113.984 12.918 -6.454 1.00 0.00 H new ATOM 0 HA ASN A 74 112.071 14.941 -7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 74 113.956 16.019 -8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.455 15.404 -6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 74 117.105 14.196 -8.977 1.00 0.00 H new ATOM 0 HD22 ASN A 74 116.587 15.709 -8.226 1.00 0.00 H new ATOM 1206 N LYS A 75 112.741 12.931 -9.559 1.00 0.00 N ATOM 1207 CA LYS A 75 112.224 12.555 -10.908 1.00 0.00 C ATOM 1208 C LYS A 75 110.950 11.725 -10.733 1.00 0.00 C ATOM 1209 O LYS A 75 110.298 11.360 -11.692 1.00 0.00 O ATOM 1210 CB LYS A 75 113.278 11.726 -11.651 1.00 0.00 C ATOM 1211 CG LYS A 75 114.502 12.593 -11.992 1.00 0.00 C ATOM 1212 CD LYS A 75 114.229 13.443 -13.243 1.00 0.00 C ATOM 1213 CE LYS A 75 115.524 14.133 -13.684 1.00 0.00 C ATOM 1214 NZ LYS A 75 115.857 15.219 -12.720 1.00 0.00 N ATOM 0 H LYS A 75 113.471 12.323 -9.188 1.00 0.00 H new ATOM 0 HA LYS A 75 112.006 13.454 -11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.584 10.880 -11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.849 11.316 -12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 75 114.741 13.242 -11.150 1.00 0.00 H new ATOM 0 HG3 LYS A 75 115.370 11.956 -12.160 1.00 0.00 H new ATOM 0 HD2 LYS A 75 113.848 12.814 -14.047 1.00 0.00 H new ATOM 0 HD3 LYS A 75 113.462 14.188 -13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 75 116.338 13.409 -13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 75 115.407 14.544 -14.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 116.666 15.765 -13.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 115.037 15.848 -12.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 116.101 14.803 -11.799 1.00 0.00 H new ATOM 1228 N LYS A 76 110.596 11.426 -9.509 1.00 0.00 N ATOM 1229 CA LYS A 76 109.366 10.622 -9.246 1.00 0.00 C ATOM 1230 C LYS A 76 109.432 9.303 -10.021 1.00 0.00 C ATOM 1231 O LYS A 76 108.544 8.971 -10.780 1.00 0.00 O ATOM 1232 CB LYS A 76 108.124 11.415 -9.670 1.00 0.00 C ATOM 1233 CG LYS A 76 107.922 12.593 -8.713 1.00 0.00 C ATOM 1234 CD LYS A 76 106.684 13.388 -9.132 1.00 0.00 C ATOM 1235 CE LYS A 76 106.483 14.565 -8.176 1.00 0.00 C ATOM 1236 NZ LYS A 76 107.636 15.501 -8.291 1.00 0.00 N ATOM 0 H LYS A 76 111.111 11.707 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 76 109.303 10.406 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 76 108.242 11.778 -10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.246 10.769 -9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 76 107.805 12.229 -7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 76 108.801 13.237 -8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 76 106.801 13.751 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.805 12.744 -9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 76 105.554 15.084 -8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 76 106.395 14.204 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 107.374 16.425 -7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 108.449 15.116 -7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 107.891 15.616 -9.293 1.00 0.00 H new ATOM 1250 N LEU A 77 110.489 8.550 -9.837 1.00 0.00 N ATOM 1251 CA LEU A 77 110.636 7.249 -10.563 1.00 0.00 C ATOM 1252 C LEU A 77 110.234 6.084 -9.647 1.00 0.00 C ATOM 1253 O LEU A 77 110.553 4.942 -9.912 1.00 0.00 O ATOM 1254 CB LEU A 77 112.094 7.074 -10.998 1.00 0.00 C ATOM 1255 CG LEU A 77 112.454 8.119 -12.066 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.963 8.074 -12.325 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.691 7.836 -13.378 1.00 0.00 C ATOM 0 H LEU A 77 111.261 8.782 -9.212 1.00 0.00 H new ATOM 0 HA LEU A 77 109.986 7.253 -11.438 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.754 7.180 -10.137 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.246 6.070 -11.394 1.00 0.00 H new ATOM 0 HG LEU A 77 112.170 9.108 -11.707 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.224 8.813 -13.082 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.497 8.296 -11.401 1.00 0.00 H new ATOM 0 HD13 LEU A 77 114.242 7.081 -12.676 1.00 0.00 H new ATOM 0 HD21 LEU A 77 111.958 8.586 -14.123 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.958 6.846 -13.748 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.618 7.877 -13.191 1.00 0.00 H new ATOM 1269 N TRP A 78 109.528 6.356 -8.581 1.00 0.00 N ATOM 1270 CA TRP A 78 109.102 5.252 -7.666 1.00 0.00 C ATOM 1271 C TRP A 78 108.238 4.261 -8.452 1.00 0.00 C ATOM 1272 O TRP A 78 108.152 3.095 -8.120 1.00 0.00 O ATOM 1273 CB TRP A 78 108.261 5.818 -6.513 1.00 0.00 C ATOM 1274 CG TRP A 78 109.131 6.477 -5.490 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.135 7.803 -5.218 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.104 5.873 -4.586 1.00 0.00 C ATOM 1277 NE1 TRP A 78 110.040 8.050 -4.203 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.665 6.895 -3.783 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.549 4.553 -4.385 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.630 6.617 -2.816 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.523 4.271 -3.412 1.00 0.00 C ATOM 1282 CH2 TRP A 78 112.063 5.302 -2.629 1.00 0.00 C ATOM 0 H TRP A 78 109.228 7.291 -8.304 1.00 0.00 H new ATOM 0 HA TRP A 78 109.988 4.759 -7.266 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.541 6.538 -6.902 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.689 5.016 -6.047 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.529 8.547 -5.714 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.223 8.974 -3.812 1.00 0.00 H new ATOM 0 HE3 TRP A 78 110.139 3.752 -4.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 112.041 7.414 -2.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.858 3.255 -3.266 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.812 5.080 -1.883 1.00 0.00 H new ATOM 1293 N GLN A 79 107.576 4.726 -9.475 1.00 0.00 N ATOM 1294 CA GLN A 79 106.695 3.827 -10.270 1.00 0.00 C ATOM 1295 C GLN A 79 107.518 2.681 -10.863 1.00 0.00 C ATOM 1296 O GLN A 79 107.077 1.549 -10.903 1.00 0.00 O ATOM 1297 CB GLN A 79 106.045 4.627 -11.402 1.00 0.00 C ATOM 1298 CG GLN A 79 105.021 5.606 -10.821 1.00 0.00 C ATOM 1299 CD GLN A 79 105.749 6.719 -10.064 1.00 0.00 C ATOM 1300 OE1 GLN A 79 106.424 7.535 -10.662 1.00 0.00 O ATOM 1301 NE2 GLN A 79 105.636 6.793 -8.766 1.00 0.00 N ATOM 0 H GLN A 79 107.608 5.694 -9.795 1.00 0.00 H new ATOM 0 HA GLN A 79 105.923 3.414 -9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 79 106.807 5.171 -11.960 1.00 0.00 H new ATOM 0 HB3 GLN A 79 105.558 3.951 -12.105 1.00 0.00 H new ATOM 0 HG2 GLN A 79 104.415 6.032 -11.621 1.00 0.00 H new ATOM 0 HG3 GLN A 79 104.340 5.081 -10.151 1.00 0.00 H new ATOM 0 HE21 GLN A 79 105.070 6.109 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 79 106.114 7.535 -8.254 1.00 0.00 H new ATOM 1310 N GLU A 80 108.704 2.954 -11.327 1.00 0.00 N ATOM 1311 CA GLU A 80 109.534 1.866 -11.915 1.00 0.00 C ATOM 1312 C GLU A 80 109.781 0.787 -10.852 1.00 0.00 C ATOM 1313 O GLU A 80 109.571 -0.386 -11.090 1.00 0.00 O ATOM 1314 CB GLU A 80 110.873 2.446 -12.389 1.00 0.00 C ATOM 1315 CG GLU A 80 111.733 1.348 -13.028 1.00 0.00 C ATOM 1316 CD GLU A 80 111.013 0.766 -14.247 1.00 0.00 C ATOM 1317 OE1 GLU A 80 110.207 1.474 -14.828 1.00 0.00 O ATOM 1318 OE2 GLU A 80 111.283 -0.376 -14.580 1.00 0.00 O ATOM 0 H GLU A 80 109.134 3.879 -11.325 1.00 0.00 H new ATOM 0 HA GLU A 80 109.014 1.424 -12.765 1.00 0.00 H new ATOM 0 HB2 GLU A 80 110.696 3.244 -13.110 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.404 2.889 -11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 80 112.698 1.757 -13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 80 111.931 0.560 -12.301 1.00 0.00 H new ATOM 1325 N ILE A 81 110.220 1.171 -9.679 1.00 0.00 N ATOM 1326 CA ILE A 81 110.467 0.157 -8.612 1.00 0.00 C ATOM 1327 C ILE A 81 109.142 -0.529 -8.249 1.00 0.00 C ATOM 1328 O ILE A 81 109.038 -1.746 -8.198 1.00 0.00 O ATOM 1329 CB ILE A 81 111.023 0.864 -7.362 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.445 1.373 -7.629 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.052 -0.119 -6.186 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.861 2.319 -6.499 1.00 0.00 C ATOM 0 H ILE A 81 110.417 2.137 -9.417 1.00 0.00 H new ATOM 0 HA ILE A 81 111.182 -0.584 -8.969 1.00 0.00 H new ATOM 0 HB ILE A 81 110.379 1.710 -7.121 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.139 0.534 -7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.485 1.892 -8.587 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.446 0.383 -5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.041 -0.473 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 81 111.690 -0.967 -6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.871 2.684 -6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 81 112.172 3.163 -6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.836 1.785 -5.549 1.00 0.00 H new ATOM 1344 N ILE A 82 108.131 0.256 -7.991 1.00 0.00 N ATOM 1345 CA ILE A 82 106.808 -0.312 -7.614 1.00 0.00 C ATOM 1346 C ILE A 82 106.280 -1.202 -8.737 1.00 0.00 C ATOM 1347 O ILE A 82 105.869 -2.323 -8.511 1.00 0.00 O ATOM 1348 CB ILE A 82 105.833 0.835 -7.343 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.307 1.597 -6.101 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.429 0.277 -7.106 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.501 2.886 -5.937 1.00 0.00 C ATOM 0 H ILE A 82 108.167 1.275 -8.026 1.00 0.00 H new ATOM 0 HA ILE A 82 106.912 -0.920 -6.715 1.00 0.00 H new ATOM 0 HB ILE A 82 105.802 1.507 -8.201 1.00 0.00 H new ATOM 0 HG12 ILE A 82 106.192 0.972 -5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 82 107.368 1.831 -6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.739 1.098 -6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.102 -0.272 -7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.444 -0.393 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.845 3.420 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.638 3.515 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.444 2.643 -5.826 1.00 0.00 H new ATOM 1363 N LYS A 83 106.291 -0.719 -9.945 1.00 0.00 N ATOM 1364 CA LYS A 83 105.793 -1.546 -11.076 1.00 0.00 C ATOM 1365 C LYS A 83 106.636 -2.819 -11.169 1.00 0.00 C ATOM 1366 O LYS A 83 106.179 -3.846 -11.629 1.00 0.00 O ATOM 1367 CB LYS A 83 105.909 -0.757 -12.383 1.00 0.00 C ATOM 1368 CG LYS A 83 105.198 -1.521 -13.503 1.00 0.00 C ATOM 1369 CD LYS A 83 105.310 -0.737 -14.812 1.00 0.00 C ATOM 1370 CE LYS A 83 104.698 -1.555 -15.950 1.00 0.00 C ATOM 1371 NZ LYS A 83 105.583 -2.716 -16.256 1.00 0.00 N ATOM 0 H LYS A 83 106.623 0.212 -10.199 1.00 0.00 H new ATOM 0 HA LYS A 83 104.748 -1.806 -10.909 1.00 0.00 H new ATOM 0 HB2 LYS A 83 105.466 0.232 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 83 106.958 -0.608 -12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 83 105.642 -2.510 -13.621 1.00 0.00 H new ATOM 0 HG3 LYS A 83 104.149 -1.671 -13.246 1.00 0.00 H new ATOM 0 HD2 LYS A 83 104.796 0.220 -14.720 1.00 0.00 H new ATOM 0 HD3 LYS A 83 106.355 -0.518 -15.029 1.00 0.00 H new ATOM 0 HE2 LYS A 83 103.705 -1.905 -15.668 1.00 0.00 H new ATOM 0 HE3 LYS A 83 104.577 -0.932 -16.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 105.361 -3.081 -17.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 106.577 -2.412 -16.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 105.428 -3.465 -15.552 1.00 0.00 H new ATOM 1385 N GLY A 84 107.870 -2.755 -10.745 1.00 0.00 N ATOM 1386 CA GLY A 84 108.746 -3.953 -10.821 1.00 0.00 C ATOM 1387 C GLY A 84 108.068 -5.141 -10.139 1.00 0.00 C ATOM 1388 O GLY A 84 107.704 -6.103 -10.784 1.00 0.00 O ATOM 0 H GLY A 84 108.307 -1.922 -10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 84 108.957 -4.193 -11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.703 -3.745 -10.341 1.00 0.00 H new ATOM 1392 N LEU A 85 107.891 -5.089 -8.841 1.00 0.00 N ATOM 1393 CA LEU A 85 107.227 -6.245 -8.143 1.00 0.00 C ATOM 1394 C LEU A 85 107.110 -5.990 -6.633 1.00 0.00 C ATOM 1395 O LEU A 85 107.528 -6.803 -5.835 1.00 0.00 O ATOM 1396 CB LEU A 85 108.024 -7.552 -8.377 1.00 0.00 C ATOM 1397 CG LEU A 85 109.551 -7.325 -8.272 1.00 0.00 C ATOM 1398 CD1 LEU A 85 109.981 -7.156 -6.810 1.00 0.00 C ATOM 1399 CD2 LEU A 85 110.272 -8.541 -8.859 1.00 0.00 C ATOM 0 H LEU A 85 108.170 -4.313 -8.240 1.00 0.00 H new ATOM 0 HA LEU A 85 106.226 -6.348 -8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 85 107.717 -8.300 -7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 85 107.784 -7.952 -9.362 1.00 0.00 H new ATOM 0 HG LEU A 85 109.808 -6.418 -8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 85 111.058 -6.998 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 85 109.469 -6.296 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 85 109.721 -8.053 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 85 111.350 -8.393 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 85 109.992 -9.434 -8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 85 109.988 -8.663 -9.904 1.00 0.00 H new ATOM 1411 N HIS A 86 106.534 -4.885 -6.231 1.00 0.00 N ATOM 1412 CA HIS A 86 106.389 -4.593 -4.763 1.00 0.00 C ATOM 1413 C HIS A 86 104.912 -4.379 -4.413 1.00 0.00 C ATOM 1414 O HIS A 86 104.583 -3.591 -3.548 1.00 0.00 O ATOM 1415 CB HIS A 86 107.190 -3.339 -4.421 1.00 0.00 C ATOM 1416 CG HIS A 86 108.659 -3.641 -4.551 1.00 0.00 C ATOM 1417 ND1 HIS A 86 109.450 -3.952 -3.456 1.00 0.00 N ATOM 1418 CD2 HIS A 86 109.492 -3.694 -5.641 1.00 0.00 C ATOM 1419 CE1 HIS A 86 110.697 -4.176 -3.907 1.00 0.00 C ATOM 1420 NE2 HIS A 86 110.778 -4.030 -5.232 1.00 0.00 N ATOM 0 H HIS A 86 106.156 -4.170 -6.852 1.00 0.00 H new ATOM 0 HA HIS A 86 106.766 -5.437 -4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 86 106.914 -2.523 -5.088 1.00 0.00 H new ATOM 0 HB3 HIS A 86 106.962 -3.012 -3.406 1.00 0.00 H new ATOM 0 HD2 HIS A 86 109.194 -3.504 -6.661 1.00 0.00 H new ATOM 0 HE1 HIS A 86 111.531 -4.442 -3.275 1.00 0.00 H new ATOM 0 HE2 HIS A 86 111.605 -4.141 -5.818 1.00 0.00 H new ATOM 1428 N LEU A 87 104.020 -5.075 -5.078 1.00 0.00 N ATOM 1429 CA LEU A 87 102.556 -4.923 -4.790 1.00 0.00 C ATOM 1430 C LEU A 87 101.903 -6.311 -4.662 1.00 0.00 C ATOM 1431 O LEU A 87 101.247 -6.770 -5.576 1.00 0.00 O ATOM 1432 CB LEU A 87 101.895 -4.158 -5.943 1.00 0.00 C ATOM 1433 CG LEU A 87 102.228 -2.655 -5.842 1.00 0.00 C ATOM 1434 CD1 LEU A 87 102.072 -2.001 -7.217 1.00 0.00 C ATOM 1435 CD2 LEU A 87 101.279 -1.960 -4.850 1.00 0.00 C ATOM 0 H LEU A 87 104.244 -5.746 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 87 102.425 -4.376 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 87 102.243 -4.552 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.815 -4.302 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 87 103.255 -2.550 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 87 102.308 -0.939 -7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 87 102.752 -2.476 -7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 87 101.045 -2.122 -7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 87 101.527 -0.900 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.250 -2.073 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 87 101.387 -2.414 -3.865 1.00 0.00 H new ATOM 1447 N PRO A 88 102.071 -6.979 -3.542 1.00 0.00 N ATOM 1448 CA PRO A 88 101.461 -8.326 -3.353 1.00 0.00 C ATOM 1449 C PRO A 88 99.923 -8.274 -3.321 1.00 0.00 C ATOM 1450 O PRO A 88 99.282 -9.019 -2.606 1.00 0.00 O ATOM 1451 CB PRO A 88 102.045 -8.778 -1.995 1.00 0.00 C ATOM 1452 CG PRO A 88 102.971 -7.662 -1.460 1.00 0.00 C ATOM 1453 CD PRO A 88 102.873 -6.449 -2.403 1.00 0.00 C ATOM 0 HA PRO A 88 101.686 -9.010 -4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 88 101.242 -8.976 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 88 102.602 -9.707 -2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 88 102.678 -7.380 -0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 88 104.000 -8.017 -1.406 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.383 -5.602 -1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 88 103.856 -6.107 -2.725 1.00 0.00 H new ATOM 1461 N SER A 89 99.330 -7.403 -4.093 1.00 0.00 N ATOM 1462 CA SER A 89 97.840 -7.310 -4.110 1.00 0.00 C ATOM 1463 C SER A 89 97.311 -7.227 -2.677 1.00 0.00 C ATOM 1464 O SER A 89 96.155 -7.504 -2.418 1.00 0.00 O ATOM 1465 CB SER A 89 97.261 -8.551 -4.791 1.00 0.00 C ATOM 1466 OG SER A 89 95.842 -8.461 -4.807 1.00 0.00 O ATOM 0 H SER A 89 99.812 -6.752 -4.713 1.00 0.00 H new ATOM 0 HA SER A 89 97.542 -6.416 -4.658 1.00 0.00 H new ATOM 0 HB2 SER A 89 97.643 -8.633 -5.809 1.00 0.00 H new ATOM 0 HB3 SER A 89 97.574 -9.450 -4.260 1.00 0.00 H new ATOM 0 HG SER A 89 95.516 -8.277 -3.901 1.00 0.00 H new ATOM 1472 N SER A 90 98.150 -6.848 -1.741 1.00 0.00 N ATOM 1473 CA SER A 90 97.712 -6.743 -0.310 1.00 0.00 C ATOM 1474 C SER A 90 97.925 -5.312 0.196 1.00 0.00 C ATOM 1475 O SER A 90 97.354 -4.911 1.191 1.00 0.00 O ATOM 1476 CB SER A 90 98.541 -7.711 0.537 1.00 0.00 C ATOM 1477 OG SER A 90 98.135 -9.044 0.258 1.00 0.00 O ATOM 0 H SER A 90 99.127 -6.605 -1.908 1.00 0.00 H new ATOM 0 HA SER A 90 96.654 -6.994 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 90 99.602 -7.588 0.317 1.00 0.00 H new ATOM 0 HB3 SER A 90 98.407 -7.492 1.596 1.00 0.00 H new ATOM 0 HG SER A 90 98.402 -9.283 -0.654 1.00 0.00 H new ATOM 1483 N ILE A 91 98.746 -4.539 -0.476 1.00 0.00 N ATOM 1484 CA ILE A 91 99.006 -3.131 -0.034 1.00 0.00 C ATOM 1485 C ILE A 91 98.952 -2.188 -1.240 1.00 0.00 C ATOM 1486 O ILE A 91 99.581 -2.422 -2.253 1.00 0.00 O ATOM 1487 CB ILE A 91 100.394 -3.050 0.623 1.00 0.00 C ATOM 1488 CG1 ILE A 91 100.434 -3.956 1.887 1.00 0.00 C ATOM 1489 CG2 ILE A 91 100.688 -1.590 1.012 1.00 0.00 C ATOM 1490 CD1 ILE A 91 101.028 -5.330 1.542 1.00 0.00 C ATOM 0 H ILE A 91 99.250 -4.825 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 91 98.244 -2.833 0.686 1.00 0.00 H new ATOM 0 HB ILE A 91 101.151 -3.396 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 91 101.031 -3.480 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 91 99.427 -4.078 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 91 101.671 -1.529 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 91 100.670 -0.965 0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 91 99.931 -1.241 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 91 101.049 -5.952 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 91 100.414 -5.811 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 91 102.042 -5.203 1.164 1.00 0.00 H new ATOM 1502 N THR A 92 98.203 -1.119 -1.130 1.00 0.00 N ATOM 1503 CA THR A 92 98.090 -0.134 -2.256 1.00 0.00 C ATOM 1504 C THR A 92 98.845 1.142 -1.880 1.00 0.00 C ATOM 1505 O THR A 92 98.519 2.225 -2.326 1.00 0.00 O ATOM 1506 CB THR A 92 96.613 0.210 -2.480 1.00 0.00 C ATOM 1507 OG1 THR A 92 96.240 1.268 -1.608 1.00 0.00 O ATOM 1508 CG2 THR A 92 95.754 -1.017 -2.182 1.00 0.00 C ATOM 0 H THR A 92 97.659 -0.882 -0.301 1.00 0.00 H new ATOM 0 HA THR A 92 98.512 -0.564 -3.165 1.00 0.00 H new ATOM 0 HB THR A 92 96.463 0.517 -3.515 1.00 0.00 H new ATOM 0 HG1 THR A 92 96.751 2.073 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 92 94.704 -0.773 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 92 96.042 -1.832 -2.846 1.00 0.00 H new ATOM 0 HG23 THR A 92 95.903 -1.322 -1.146 1.00 0.00 H new ATOM 1516 N SER A 93 99.848 1.019 -1.057 1.00 0.00 N ATOM 1517 CA SER A 93 100.636 2.213 -0.629 1.00 0.00 C ATOM 1518 C SER A 93 102.103 1.805 -0.465 1.00 0.00 C ATOM 1519 O SER A 93 102.800 2.279 0.409 1.00 0.00 O ATOM 1520 CB SER A 93 100.083 2.722 0.702 1.00 0.00 C ATOM 1521 OG SER A 93 100.525 4.057 0.918 1.00 0.00 O ATOM 0 H SER A 93 100.160 0.134 -0.657 1.00 0.00 H new ATOM 0 HA SER A 93 100.562 3.004 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 93 98.994 2.685 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 93 100.418 2.080 1.517 1.00 0.00 H new ATOM 0 HG SER A 93 100.170 4.385 1.770 1.00 0.00 H new ATOM 1527 N ALA A 94 102.566 0.916 -1.299 1.00 0.00 N ATOM 1528 CA ALA A 94 103.979 0.447 -1.207 1.00 0.00 C ATOM 1529 C ALA A 94 104.944 1.622 -1.387 1.00 0.00 C ATOM 1530 O ALA A 94 106.014 1.648 -0.811 1.00 0.00 O ATOM 1531 CB ALA A 94 104.238 -0.589 -2.301 1.00 0.00 C ATOM 0 H ALA A 94 102.021 0.490 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 94 104.141 0.003 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 94 105.270 -0.935 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 94 103.563 -1.435 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 94 104.066 -0.137 -3.278 1.00 0.00 H new ATOM 1537 N ALA A 95 104.590 2.589 -2.186 1.00 0.00 N ATOM 1538 CA ALA A 95 105.508 3.744 -2.400 1.00 0.00 C ATOM 1539 C ALA A 95 105.865 4.365 -1.048 1.00 0.00 C ATOM 1540 O ALA A 95 107.018 4.566 -0.724 1.00 0.00 O ATOM 1541 CB ALA A 95 104.807 4.795 -3.277 1.00 0.00 C ATOM 0 H ALA A 95 103.709 2.631 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 95 106.417 3.403 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 95 105.476 5.641 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 95 104.548 4.352 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 95 103.900 5.138 -2.779 1.00 0.00 H new ATOM 1547 N PHE A 96 104.875 4.677 -0.266 1.00 0.00 N ATOM 1548 CA PHE A 96 105.133 5.296 1.063 1.00 0.00 C ATOM 1549 C PHE A 96 105.979 4.355 1.930 1.00 0.00 C ATOM 1550 O PHE A 96 106.881 4.779 2.622 1.00 0.00 O ATOM 1551 CB PHE A 96 103.793 5.578 1.747 1.00 0.00 C ATOM 1552 CG PHE A 96 104.031 6.209 3.097 1.00 0.00 C ATOM 1553 CD1 PHE A 96 104.238 7.590 3.190 1.00 0.00 C ATOM 1554 CD2 PHE A 96 104.039 5.420 4.253 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.453 8.183 4.438 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.255 6.012 5.502 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.463 7.395 5.595 1.00 0.00 C ATOM 0 H PHE A 96 103.891 4.530 -0.490 1.00 0.00 H new ATOM 0 HA PHE A 96 105.682 6.229 0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.190 6.241 1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.231 4.651 1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 96 104.232 8.198 2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.878 4.354 4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.611 9.249 4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.261 5.404 6.394 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.631 7.852 6.559 1.00 0.00 H new ATOM 1567 N THR A 97 105.690 3.082 1.916 1.00 0.00 N ATOM 1568 CA THR A 97 106.478 2.132 2.755 1.00 0.00 C ATOM 1569 C THR A 97 107.921 2.019 2.241 1.00 0.00 C ATOM 1570 O THR A 97 108.860 1.990 3.011 1.00 0.00 O ATOM 1571 CB THR A 97 105.816 0.750 2.726 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.494 0.851 3.238 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.624 -0.226 3.587 1.00 0.00 C ATOM 0 H THR A 97 104.945 2.659 1.362 1.00 0.00 H new ATOM 0 HA THR A 97 106.501 2.510 3.777 1.00 0.00 H new ATOM 0 HB THR A 97 105.784 0.384 1.700 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.068 -0.031 3.219 1.00 0.00 H new ATOM 0 HG21 THR A 97 106.151 -1.208 3.565 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.638 -0.303 3.196 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.658 0.137 4.614 1.00 0.00 H new ATOM 1581 N LEU A 98 108.113 1.934 0.952 1.00 0.00 N ATOM 1582 CA LEU A 98 109.503 1.802 0.415 1.00 0.00 C ATOM 1583 C LEU A 98 110.342 3.046 0.734 1.00 0.00 C ATOM 1584 O LEU A 98 111.438 2.951 1.248 1.00 0.00 O ATOM 1585 CB LEU A 98 109.450 1.625 -1.108 1.00 0.00 C ATOM 1586 CG LEU A 98 108.878 0.247 -1.477 1.00 0.00 C ATOM 1587 CD1 LEU A 98 108.608 0.207 -2.986 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.882 -0.868 -1.108 1.00 0.00 C ATOM 0 H LEU A 98 107.374 1.950 0.249 1.00 0.00 H new ATOM 0 HA LEU A 98 109.964 0.934 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 98 108.834 2.409 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.451 1.732 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 98 107.953 0.084 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.202 -0.767 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.891 0.985 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.539 0.375 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.463 -1.838 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.814 -0.713 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.079 -0.841 -0.036 1.00 0.00 H new ATOM 1600 N ARG A 99 109.852 4.209 0.404 1.00 0.00 N ATOM 1601 CA ARG A 99 110.640 5.452 0.652 1.00 0.00 C ATOM 1602 C ARG A 99 110.961 5.648 2.142 1.00 0.00 C ATOM 1603 O ARG A 99 112.038 6.091 2.490 1.00 0.00 O ATOM 1604 CB ARG A 99 109.867 6.664 0.118 1.00 0.00 C ATOM 1605 CG ARG A 99 108.618 6.911 0.960 1.00 0.00 C ATOM 1606 CD ARG A 99 107.772 8.000 0.298 1.00 0.00 C ATOM 1607 NE ARG A 99 107.257 7.498 -1.007 1.00 0.00 N ATOM 1608 CZ ARG A 99 106.590 8.295 -1.798 1.00 0.00 C ATOM 1609 NH1 ARG A 99 107.226 9.153 -2.549 1.00 0.00 N ATOM 1610 NH2 ARG A 99 105.288 8.234 -1.839 1.00 0.00 N ATOM 0 H ARG A 99 108.939 4.354 -0.027 1.00 0.00 H new ATOM 0 HA ARG A 99 111.590 5.354 0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.506 7.547 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.585 6.495 -0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.040 5.991 1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.899 7.215 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 99 106.942 8.277 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.370 8.898 0.145 1.00 0.00 H new ATOM 0 HE ARG A 99 107.426 6.531 -1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.244 9.201 -2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 99 106.704 9.775 -3.167 1.00 0.00 H new ATOM 0 HH21 ARG A 99 104.790 7.564 -1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 99 104.767 8.857 -2.457 1.00 0.00 H new ATOM 1624 N THR A 100 110.043 5.365 3.028 1.00 0.00 N ATOM 1625 CA THR A 100 110.330 5.594 4.480 1.00 0.00 C ATOM 1626 C THR A 100 111.247 4.506 5.066 1.00 0.00 C ATOM 1627 O THR A 100 112.194 4.808 5.764 1.00 0.00 O ATOM 1628 CB THR A 100 109.012 5.649 5.268 1.00 0.00 C ATOM 1629 OG1 THR A 100 109.244 6.284 6.517 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.472 4.237 5.510 1.00 0.00 C ATOM 0 H THR A 100 109.118 4.990 2.816 1.00 0.00 H new ATOM 0 HA THR A 100 110.854 6.546 4.568 1.00 0.00 H new ATOM 0 HB THR A 100 108.277 6.211 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 100 108.406 6.324 7.024 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.538 4.295 6.069 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.292 3.747 4.553 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.201 3.661 6.080 1.00 0.00 H new ATOM 1638 N GLN A 101 110.977 3.252 4.817 1.00 0.00 N ATOM 1639 CA GLN A 101 111.850 2.192 5.404 1.00 0.00 C ATOM 1640 C GLN A 101 113.275 2.386 4.898 1.00 0.00 C ATOM 1641 O GLN A 101 114.236 2.257 5.635 1.00 0.00 O ATOM 1642 CB GLN A 101 111.342 0.812 4.988 1.00 0.00 C ATOM 1643 CG GLN A 101 110.016 0.528 5.693 1.00 0.00 C ATOM 1644 CD GLN A 101 109.461 -0.815 5.218 1.00 0.00 C ATOM 1645 OE1 GLN A 101 109.831 -1.302 4.167 1.00 0.00 O ATOM 1646 NE2 GLN A 101 108.583 -1.438 5.953 1.00 0.00 N ATOM 0 H GLN A 101 110.203 2.919 4.242 1.00 0.00 H new ATOM 0 HA GLN A 101 111.831 2.264 6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.208 0.772 3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 101 112.076 0.049 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 101 110.163 0.511 6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.302 1.324 5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 101 108.273 -1.029 6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 101 108.206 -2.335 5.647 1.00 0.00 H new ATOM 1655 N TYR A 102 113.417 2.714 3.648 1.00 0.00 N ATOM 1656 CA TYR A 102 114.772 2.937 3.089 1.00 0.00 C ATOM 1657 C TYR A 102 115.430 4.077 3.867 1.00 0.00 C ATOM 1658 O TYR A 102 116.558 3.990 4.306 1.00 0.00 O ATOM 1659 CB TYR A 102 114.643 3.334 1.619 1.00 0.00 C ATOM 1660 CG TYR A 102 116.012 3.449 0.994 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.780 4.601 1.190 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.510 2.405 0.212 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.044 4.708 0.598 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.770 2.509 -0.380 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.539 3.662 -0.188 1.00 0.00 C ATOM 1666 OH TYR A 102 119.783 3.767 -0.772 1.00 0.00 O ATOM 0 H TYR A 102 112.649 2.837 2.988 1.00 0.00 H new ATOM 0 HA TYR A 102 115.373 2.032 3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.051 2.592 1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.115 4.284 1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.398 5.408 1.798 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.918 1.514 0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.637 5.598 0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.151 1.700 -0.986 1.00 0.00 H new ATOM 0 HH TYR A 102 120.139 2.871 -0.946 1.00 0.00 H new ATOM 1676 N MET A 103 114.715 5.149 4.038 1.00 0.00 N ATOM 1677 CA MET A 103 115.261 6.316 4.780 1.00 0.00 C ATOM 1678 C MET A 103 115.595 5.925 6.224 1.00 0.00 C ATOM 1679 O MET A 103 116.515 6.450 6.818 1.00 0.00 O ATOM 1680 CB MET A 103 114.223 7.442 4.777 1.00 0.00 C ATOM 1681 CG MET A 103 114.857 8.726 5.324 1.00 0.00 C ATOM 1682 SD MET A 103 113.667 10.091 5.221 1.00 0.00 S ATOM 1683 CE MET A 103 113.907 10.521 3.474 1.00 0.00 C ATOM 0 H MET A 103 113.763 5.269 3.691 1.00 0.00 H new ATOM 0 HA MET A 103 116.176 6.653 4.292 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.855 7.609 3.765 1.00 0.00 H new ATOM 0 HB3 MET A 103 113.364 7.160 5.386 1.00 0.00 H new ATOM 0 HG2 MET A 103 115.166 8.578 6.359 1.00 0.00 H new ATOM 0 HG3 MET A 103 115.754 8.970 4.756 1.00 0.00 H new ATOM 0 HE1 MET A 103 114.393 11.494 3.402 1.00 0.00 H new ATOM 0 HE2 MET A 103 114.532 9.767 2.996 1.00 0.00 H new ATOM 0 HE3 MET A 103 112.940 10.561 2.973 1.00 0.00 H new ATOM 1693 N LYS A 104 114.828 5.048 6.809 1.00 0.00 N ATOM 1694 CA LYS A 104 115.071 4.670 8.228 1.00 0.00 C ATOM 1695 C LYS A 104 116.471 4.065 8.444 1.00 0.00 C ATOM 1696 O LYS A 104 117.096 4.333 9.452 1.00 0.00 O ATOM 1697 CB LYS A 104 114.010 3.653 8.656 1.00 0.00 C ATOM 1698 CG LYS A 104 113.977 3.542 10.184 1.00 0.00 C ATOM 1699 CD LYS A 104 113.409 4.833 10.817 1.00 0.00 C ATOM 1700 CE LYS A 104 112.734 4.503 12.153 1.00 0.00 C ATOM 1701 NZ LYS A 104 112.652 5.735 12.986 1.00 0.00 N ATOM 0 H LYS A 104 114.041 4.576 6.364 1.00 0.00 H new ATOM 0 HA LYS A 104 115.012 5.577 8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 104 113.032 3.957 8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.229 2.680 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 104 113.366 2.688 10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 104 114.983 3.359 10.561 1.00 0.00 H new ATOM 0 HD2 LYS A 104 114.210 5.556 10.973 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.690 5.295 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 104 111.736 4.102 11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 104 113.300 3.733 12.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 112.194 5.511 13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 113.610 6.099 13.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 112.095 6.456 12.485 1.00 0.00 H new ATOM 1715 N TYR A 105 116.972 3.234 7.548 1.00 0.00 N ATOM 1716 CA TYR A 105 118.334 2.616 7.785 1.00 0.00 C ATOM 1717 C TYR A 105 119.199 2.577 6.516 1.00 0.00 C ATOM 1718 O TYR A 105 120.365 2.245 6.590 1.00 0.00 O ATOM 1719 CB TYR A 105 118.167 1.174 8.268 1.00 0.00 C ATOM 1720 CG TYR A 105 117.402 1.136 9.566 1.00 0.00 C ATOM 1721 CD1 TYR A 105 118.068 1.363 10.777 1.00 0.00 C ATOM 1722 CD2 TYR A 105 116.031 0.861 9.561 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.359 1.319 11.981 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.322 0.814 10.764 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.984 1.044 11.976 1.00 0.00 C ATOM 1726 OH TYR A 105 115.285 0.995 13.166 1.00 0.00 O ATOM 0 H TYR A 105 116.511 2.960 6.680 1.00 0.00 H new ATOM 0 HA TYR A 105 118.831 3.240 8.528 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.642 0.590 7.512 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.146 0.714 8.403 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.128 1.572 10.781 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.520 0.685 8.626 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.870 1.497 12.915 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.263 0.600 10.759 1.00 0.00 H new ATOM 0 HH TYR A 105 114.343 0.794 12.984 1.00 0.00 H new ATOM 1736 N LEU A 106 118.660 2.869 5.356 1.00 0.00 N ATOM 1737 CA LEU A 106 119.494 2.789 4.103 1.00 0.00 C ATOM 1738 C LEU A 106 119.927 4.182 3.619 1.00 0.00 C ATOM 1739 O LEU A 106 120.884 4.299 2.880 1.00 0.00 O ATOM 1740 CB LEU A 106 118.677 2.075 3.005 1.00 0.00 C ATOM 1741 CG LEU A 106 118.836 0.539 3.132 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.614 -0.171 2.535 1.00 0.00 C ATOM 1743 CD2 LEU A 106 120.101 0.073 2.386 1.00 0.00 C ATOM 0 H LEU A 106 117.691 3.156 5.218 1.00 0.00 H new ATOM 0 HA LEU A 106 120.401 2.226 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.625 2.347 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 106 119.013 2.402 2.021 1.00 0.00 H new ATOM 0 HG LEU A 106 118.922 0.289 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.738 -1.250 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.716 0.140 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.519 0.092 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 106 120.203 -1.008 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 106 120.020 0.338 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.977 0.559 2.816 1.00 0.00 H new ATOM 1755 N TYR A 107 119.267 5.242 4.011 1.00 0.00 N ATOM 1756 CA TYR A 107 119.728 6.576 3.525 1.00 0.00 C ATOM 1757 C TYR A 107 121.088 6.939 4.157 1.00 0.00 C ATOM 1758 O TYR A 107 121.934 7.487 3.481 1.00 0.00 O ATOM 1759 CB TYR A 107 118.677 7.673 3.780 1.00 0.00 C ATOM 1760 CG TYR A 107 119.306 9.030 3.568 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.430 9.544 2.271 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.777 9.767 4.660 1.00 0.00 C ATOM 1763 CE1 TYR A 107 120.024 10.792 2.066 1.00 0.00 C ATOM 1764 CE2 TYR A 107 120.370 11.019 4.456 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.494 11.531 3.159 1.00 0.00 C ATOM 1766 OH TYR A 107 121.081 12.763 2.956 1.00 0.00 O ATOM 0 H TYR A 107 118.454 5.245 4.627 1.00 0.00 H new ATOM 0 HA TYR A 107 119.860 6.512 2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.830 7.544 3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.292 7.593 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 107 119.066 8.975 1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.683 9.370 5.660 1.00 0.00 H new ATOM 0 HE1 TYR A 107 120.121 11.187 1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.732 11.589 5.299 1.00 0.00 H new ATOM 0 HH TYR A 107 121.878 12.657 2.396 1.00 0.00 H new ATOM 1776 N PRO A 108 121.339 6.634 5.419 1.00 0.00 N ATOM 1777 CA PRO A 108 122.664 6.968 5.999 1.00 0.00 C ATOM 1778 C PRO A 108 123.745 6.099 5.352 1.00 0.00 C ATOM 1779 O PRO A 108 124.840 6.541 5.068 1.00 0.00 O ATOM 1780 CB PRO A 108 122.482 6.641 7.497 1.00 0.00 C ATOM 1781 CG PRO A 108 121.044 6.124 7.712 1.00 0.00 C ATOM 1782 CD PRO A 108 120.374 5.956 6.334 1.00 0.00 C ATOM 0 HA PRO A 108 122.976 8.000 5.838 1.00 0.00 H new ATOM 0 HB2 PRO A 108 123.206 5.890 7.812 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.660 7.529 8.103 1.00 0.00 H new ATOM 0 HG2 PRO A 108 121.059 5.173 8.244 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.477 6.824 8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.238 4.906 6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.389 6.422 6.302 1.00 0.00 H new ATOM 1790 N TYR A 109 123.418 4.859 5.112 1.00 0.00 N ATOM 1791 CA TYR A 109 124.385 3.931 4.472 1.00 0.00 C ATOM 1792 C TYR A 109 124.644 4.395 3.034 1.00 0.00 C ATOM 1793 O TYR A 109 125.773 4.502 2.599 1.00 0.00 O ATOM 1794 CB TYR A 109 123.783 2.524 4.469 1.00 0.00 C ATOM 1795 CG TYR A 109 124.864 1.508 4.197 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.826 1.249 5.177 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.902 0.820 2.977 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.829 0.304 4.941 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.905 -0.125 2.740 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.870 -0.382 3.722 1.00 0.00 C ATOM 1801 OH TYR A 109 127.860 -1.315 3.490 1.00 0.00 O ATOM 0 H TYR A 109 122.512 4.448 5.335 1.00 0.00 H new ATOM 0 HA TYR A 109 125.327 3.922 5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.311 2.318 5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.005 2.453 3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.795 1.779 6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 109 124.157 1.019 2.221 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.572 0.104 5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.936 -0.656 1.800 1.00 0.00 H new ATOM 0 HH TYR A 109 127.451 -2.175 3.260 1.00 0.00 H new ATOM 1811 N GLU A 110 123.600 4.681 2.297 1.00 0.00 N ATOM 1812 CA GLU A 110 123.776 5.151 0.896 1.00 0.00 C ATOM 1813 C GLU A 110 124.667 6.394 0.904 1.00 0.00 C ATOM 1814 O GLU A 110 125.614 6.503 0.150 1.00 0.00 O ATOM 1815 CB GLU A 110 122.402 5.505 0.318 1.00 0.00 C ATOM 1816 CG GLU A 110 122.551 5.990 -1.124 1.00 0.00 C ATOM 1817 CD GLU A 110 121.164 6.228 -1.725 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.231 6.411 -0.961 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.057 6.213 -2.941 1.00 0.00 O ATOM 0 H GLU A 110 122.632 4.608 2.610 1.00 0.00 H new ATOM 0 HA GLU A 110 124.238 4.373 0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.749 4.633 0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.932 6.279 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.134 6.910 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.093 5.251 -1.714 1.00 0.00 H new ATOM 1826 N CYS A 111 124.368 7.327 1.764 1.00 0.00 N ATOM 1827 CA CYS A 111 125.185 8.569 1.852 1.00 0.00 C ATOM 1828 C CYS A 111 126.616 8.227 2.277 1.00 0.00 C ATOM 1829 O CYS A 111 127.571 8.817 1.819 1.00 0.00 O ATOM 1830 CB CYS A 111 124.567 9.517 2.882 1.00 0.00 C ATOM 1831 SG CYS A 111 123.023 10.196 2.228 1.00 0.00 S ATOM 0 H CYS A 111 123.585 7.281 2.416 1.00 0.00 H new ATOM 0 HA CYS A 111 125.205 9.049 0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 111 124.376 8.984 3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 111 125.263 10.324 3.113 1.00 0.00 H new ATOM 0 HG CYS A 111 122.256 10.558 3.213 1.00 0.00 H new ATOM 1837 N GLU A 112 126.778 7.308 3.180 1.00 0.00 N ATOM 1838 CA GLU A 112 128.151 6.977 3.644 1.00 0.00 C ATOM 1839 C GLU A 112 129.005 6.462 2.477 1.00 0.00 C ATOM 1840 O GLU A 112 130.112 6.918 2.268 1.00 0.00 O ATOM 1841 CB GLU A 112 128.065 5.904 4.732 1.00 0.00 C ATOM 1842 CG GLU A 112 129.468 5.569 5.240 1.00 0.00 C ATOM 1843 CD GLU A 112 129.363 4.594 6.413 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.254 4.360 6.865 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.393 4.099 6.840 1.00 0.00 O ATOM 0 H GLU A 112 126.026 6.774 3.616 1.00 0.00 H new ATOM 0 HA GLU A 112 128.619 7.877 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.445 6.257 5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.588 5.008 4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 112 130.062 5.129 4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.980 6.479 5.553 1.00 0.00 H new ATOM 1852 N LYS A 113 128.519 5.513 1.723 1.00 0.00 N ATOM 1853 CA LYS A 113 129.335 4.982 0.588 1.00 0.00 C ATOM 1854 C LYS A 113 129.415 5.977 -0.581 1.00 0.00 C ATOM 1855 O LYS A 113 130.445 6.093 -1.215 1.00 0.00 O ATOM 1856 CB LYS A 113 128.742 3.654 0.090 1.00 0.00 C ATOM 1857 CG LYS A 113 129.100 2.524 1.064 1.00 0.00 C ATOM 1858 CD LYS A 113 128.601 1.186 0.506 1.00 0.00 C ATOM 1859 CE LYS A 113 129.297 0.036 1.238 1.00 0.00 C ATOM 1860 NZ LYS A 113 128.644 -1.254 0.876 1.00 0.00 N ATOM 0 H LYS A 113 127.601 5.084 1.840 1.00 0.00 H new ATOM 0 HA LYS A 113 130.346 4.823 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.659 3.740 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 113 129.126 3.424 -0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 113 130.179 2.487 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 113 128.650 2.714 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 113 127.521 1.109 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 113 128.805 1.127 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 113 130.353 0.008 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 113 129.244 0.192 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 128.165 -1.647 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 127.947 -1.090 0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 129.364 -1.926 0.542 1.00 0.00 H new ATOM 1874 N LYS A 114 128.337 6.659 -0.912 1.00 0.00 N ATOM 1875 CA LYS A 114 128.366 7.601 -2.091 1.00 0.00 C ATOM 1876 C LYS A 114 128.117 9.061 -1.677 1.00 0.00 C ATOM 1877 O LYS A 114 128.388 9.970 -2.437 1.00 0.00 O ATOM 1878 CB LYS A 114 127.284 7.165 -3.082 1.00 0.00 C ATOM 1879 CG LYS A 114 127.671 5.807 -3.684 1.00 0.00 C ATOM 1880 CD LYS A 114 126.587 5.326 -4.664 1.00 0.00 C ATOM 1881 CE LYS A 114 126.795 5.963 -6.042 1.00 0.00 C ATOM 1882 NZ LYS A 114 128.159 5.628 -6.545 1.00 0.00 N ATOM 0 H LYS A 114 127.444 6.606 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 114 129.358 7.556 -2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.320 7.092 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.175 7.909 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 114 128.627 5.891 -4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 114 127.802 5.074 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 114 126.620 4.240 -4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 114 125.600 5.586 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 114 126.040 5.601 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 114 126.676 7.044 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 128.098 5.324 -7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 128.770 6.467 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 128.561 4.859 -5.971 1.00 0.00 H new ATOM 1896 N ASN A 115 127.612 9.312 -0.500 1.00 0.00 N ATOM 1897 CA ASN A 115 127.368 10.733 -0.097 1.00 0.00 C ATOM 1898 C ASN A 115 126.594 11.447 -1.208 1.00 0.00 C ATOM 1899 O ASN A 115 126.974 12.508 -1.661 1.00 0.00 O ATOM 1900 CB ASN A 115 128.713 11.435 0.115 1.00 0.00 C ATOM 1901 CG ASN A 115 128.480 12.829 0.701 1.00 0.00 C ATOM 1902 OD1 ASN A 115 129.044 13.798 0.234 1.00 0.00 O ATOM 1903 ND2 ASN A 115 127.664 12.972 1.709 1.00 0.00 N ATOM 0 H ASN A 115 127.360 8.608 0.194 1.00 0.00 H new ATOM 0 HA ASN A 115 126.790 10.759 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.339 10.848 0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.247 11.513 -0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 115 127.500 13.898 2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 115 127.190 12.158 2.101 1.00 0.00 H new ATOM 1910 N LEU A 116 125.523 10.859 -1.663 1.00 0.00 N ATOM 1911 CA LEU A 116 124.732 11.483 -2.762 1.00 0.00 C ATOM 1912 C LEU A 116 124.174 12.841 -2.327 1.00 0.00 C ATOM 1913 O LEU A 116 124.146 13.779 -3.099 1.00 0.00 O ATOM 1914 CB LEU A 116 123.563 10.563 -3.118 1.00 0.00 C ATOM 1915 CG LEU A 116 124.098 9.199 -3.579 1.00 0.00 C ATOM 1916 CD1 LEU A 116 122.928 8.221 -3.733 1.00 0.00 C ATOM 1917 CD2 LEU A 116 124.838 9.342 -4.925 1.00 0.00 C ATOM 0 H LEU A 116 125.160 9.970 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 116 125.385 11.628 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 116 122.912 10.435 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 116 122.961 11.013 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 116 124.798 8.820 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.305 7.252 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.420 8.108 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.227 8.606 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.212 8.368 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.151 9.728 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.674 10.031 -4.809 1.00 0.00 H new ATOM 1929 N SER A 117 123.716 12.963 -1.110 1.00 0.00 N ATOM 1930 CA SER A 117 123.152 14.274 -0.674 1.00 0.00 C ATOM 1931 C SER A 117 123.000 14.315 0.851 1.00 0.00 C ATOM 1932 O SER A 117 123.178 13.323 1.529 1.00 0.00 O ATOM 1933 CB SER A 117 121.783 14.468 -1.324 1.00 0.00 C ATOM 1934 OG SER A 117 120.834 13.629 -0.678 1.00 0.00 O ATOM 0 H SER A 117 123.707 12.224 -0.407 1.00 0.00 H new ATOM 0 HA SER A 117 123.831 15.071 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.476 15.511 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.834 14.228 -2.386 1.00 0.00 H new ATOM 0 HG SER A 117 121.019 12.693 -0.902 1.00 0.00 H new ATOM 1940 N THR A 118 122.661 15.467 1.389 1.00 0.00 N ATOM 1941 CA THR A 118 122.477 15.609 2.870 1.00 0.00 C ATOM 1942 C THR A 118 120.994 15.921 3.141 1.00 0.00 C ATOM 1943 O THR A 118 120.304 16.420 2.274 1.00 0.00 O ATOM 1944 CB THR A 118 123.366 16.773 3.364 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.538 17.706 2.306 1.00 0.00 O ATOM 1946 CG2 THR A 118 124.737 16.242 3.797 1.00 0.00 C ATOM 0 H THR A 118 122.503 16.323 0.857 1.00 0.00 H new ATOM 0 HA THR A 118 122.759 14.695 3.393 1.00 0.00 H new ATOM 0 HB THR A 118 122.886 17.256 4.215 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.100 18.448 2.612 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.355 17.070 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.610 15.522 4.605 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.223 15.756 2.951 1.00 0.00 H new ATOM 1954 N PRO A 119 120.496 15.640 4.325 1.00 0.00 N ATOM 1955 CA PRO A 119 119.067 15.923 4.638 1.00 0.00 C ATOM 1956 C PRO A 119 118.648 17.343 4.222 1.00 0.00 C ATOM 1957 O PRO A 119 117.482 17.623 4.024 1.00 0.00 O ATOM 1958 CB PRO A 119 119.016 15.729 6.172 1.00 0.00 C ATOM 1959 CG PRO A 119 120.428 15.336 6.659 1.00 0.00 C ATOM 1960 CD PRO A 119 121.294 15.033 5.426 1.00 0.00 C ATOM 0 HA PRO A 119 118.374 15.279 4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 119 118.688 16.647 6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 119 118.295 14.954 6.433 1.00 0.00 H new ATOM 0 HG2 PRO A 119 120.868 16.145 7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 119 120.376 14.464 7.311 1.00 0.00 H new ATOM 0 HD2 PRO A 119 122.285 15.480 5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 119 121.438 13.962 5.282 1.00 0.00 H new ATOM 1968 N ALA A 120 119.588 18.239 4.092 1.00 0.00 N ATOM 1969 CA ALA A 120 119.240 19.635 3.694 1.00 0.00 C ATOM 1970 C ALA A 120 118.754 19.669 2.240 1.00 0.00 C ATOM 1971 O ALA A 120 117.651 20.087 1.951 1.00 0.00 O ATOM 1972 CB ALA A 120 120.471 20.529 3.835 1.00 0.00 C ATOM 0 H ALA A 120 120.582 18.066 4.244 1.00 0.00 H new ATOM 0 HA ALA A 120 118.443 19.997 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.216 21.548 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 120 120.810 20.521 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.267 20.156 3.190 1.00 0.00 H new ATOM 1978 N GLU A 121 119.581 19.240 1.324 1.00 0.00 N ATOM 1979 CA GLU A 121 119.187 19.253 -0.117 1.00 0.00 C ATOM 1980 C GLU A 121 118.141 18.162 -0.385 1.00 0.00 C ATOM 1981 O GLU A 121 117.236 18.342 -1.175 1.00 0.00 O ATOM 1982 CB GLU A 121 120.436 19.051 -1.000 1.00 0.00 C ATOM 1983 CG GLU A 121 121.483 18.220 -0.255 1.00 0.00 C ATOM 1984 CD GLU A 121 122.616 17.857 -1.216 1.00 0.00 C ATOM 1985 OE1 GLU A 121 122.447 18.065 -2.406 1.00 0.00 O ATOM 1986 OE2 GLU A 121 123.637 17.386 -0.744 1.00 0.00 O ATOM 0 H GLU A 121 120.517 18.879 1.512 1.00 0.00 H new ATOM 0 HA GLU A 121 118.743 20.217 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 121 120.157 18.551 -1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 121 120.857 20.019 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.875 18.783 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 121 121.027 17.315 0.147 1.00 0.00 H new ATOM 1993 N LEU A 122 118.247 17.044 0.270 1.00 0.00 N ATOM 1994 CA LEU A 122 117.246 15.961 0.055 1.00 0.00 C ATOM 1995 C LEU A 122 115.860 16.488 0.423 1.00 0.00 C ATOM 1996 O LEU A 122 114.913 16.360 -0.327 1.00 0.00 O ATOM 1997 CB LEU A 122 117.612 14.766 0.936 1.00 0.00 C ATOM 1998 CG LEU A 122 116.482 13.730 0.949 1.00 0.00 C ATOM 1999 CD1 LEU A 122 116.035 13.395 -0.480 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.998 12.458 1.622 1.00 0.00 C ATOM 0 H LEU A 122 118.981 16.831 0.945 1.00 0.00 H new ATOM 0 HA LEU A 122 117.242 15.646 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.529 14.305 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.811 15.106 1.952 1.00 0.00 H new ATOM 0 HG LEU A 122 115.630 14.138 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.233 12.658 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.677 14.300 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.878 12.989 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 122 116.206 11.709 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.851 12.071 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 122 117.306 12.685 2.643 1.00 0.00 H new ATOM 2012 N GLN A 123 115.733 17.099 1.562 1.00 0.00 N ATOM 2013 CA GLN A 123 114.409 17.642 1.957 1.00 0.00 C ATOM 2014 C GLN A 123 113.957 18.634 0.889 1.00 0.00 C ATOM 2015 O GLN A 123 112.800 18.678 0.521 1.00 0.00 O ATOM 2016 CB GLN A 123 114.521 18.346 3.311 1.00 0.00 C ATOM 2017 CG GLN A 123 113.140 18.845 3.743 1.00 0.00 C ATOM 2018 CD GLN A 123 113.247 19.534 5.104 1.00 0.00 C ATOM 2019 OE1 GLN A 123 114.114 20.358 5.316 1.00 0.00 O ATOM 2020 NE2 GLN A 123 112.393 19.227 6.041 1.00 0.00 N ATOM 0 H GLN A 123 116.485 17.246 2.235 1.00 0.00 H new ATOM 0 HA GLN A 123 113.683 16.834 2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 123 114.921 17.660 4.057 1.00 0.00 H new ATOM 0 HB3 GLN A 123 115.216 19.183 3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 123 112.745 19.540 3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 123 112.442 18.010 3.801 1.00 0.00 H new ATOM 0 HE21 GLN A 123 111.666 18.535 5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 123 112.453 19.679 6.953 1.00 0.00 H new ATOM 2029 N ALA A 124 114.861 19.420 0.376 1.00 0.00 N ATOM 2030 CA ALA A 124 114.473 20.390 -0.679 1.00 0.00 C ATOM 2031 C ALA A 124 113.892 19.603 -1.859 1.00 0.00 C ATOM 2032 O ALA A 124 112.955 20.028 -2.505 1.00 0.00 O ATOM 2033 CB ALA A 124 115.702 21.176 -1.140 1.00 0.00 C ATOM 0 H ALA A 124 115.846 19.432 0.641 1.00 0.00 H new ATOM 0 HA ALA A 124 113.735 21.093 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.411 21.886 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.127 21.716 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.445 20.487 -1.541 1.00 0.00 H new ATOM 2039 N ALA A 125 114.446 18.450 -2.137 1.00 0.00 N ATOM 2040 CA ALA A 125 113.934 17.618 -3.264 1.00 0.00 C ATOM 2041 C ALA A 125 112.521 17.126 -2.931 1.00 0.00 C ATOM 2042 O ALA A 125 111.619 17.165 -3.750 1.00 0.00 O ATOM 2043 CB ALA A 125 114.865 16.404 -3.461 1.00 0.00 C ATOM 0 H ALA A 125 115.234 18.049 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 125 113.907 18.212 -4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.496 15.792 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.872 16.751 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.886 15.810 -2.548 1.00 0.00 H new ATOM 2049 N ILE A 126 112.331 16.648 -1.734 1.00 0.00 N ATOM 2050 CA ILE A 126 110.993 16.125 -1.339 1.00 0.00 C ATOM 2051 C ILE A 126 109.952 17.248 -1.298 1.00 0.00 C ATOM 2052 O ILE A 126 108.870 17.111 -1.833 1.00 0.00 O ATOM 2053 CB ILE A 126 111.094 15.489 0.048 1.00 0.00 C ATOM 2054 CG1 ILE A 126 112.082 14.319 0.004 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.715 14.981 0.476 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.377 13.839 1.426 1.00 0.00 C ATOM 0 H ILE A 126 113.047 16.597 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 126 110.679 15.387 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 126 111.446 16.231 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.667 13.502 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 126 113.006 14.629 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 126 109.785 14.527 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.014 15.815 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.363 14.238 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 126 113.080 13.007 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 126 112.810 14.656 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.451 13.512 1.899 1.00 0.00 H new ATOM 2068 N ASP A 127 110.243 18.343 -0.650 1.00 0.00 N ATOM 2069 CA ASP A 127 109.229 19.434 -0.571 1.00 0.00 C ATOM 2070 C ASP A 127 109.087 20.138 -1.918 1.00 0.00 C ATOM 2071 O ASP A 127 107.995 20.473 -2.335 1.00 0.00 O ATOM 2072 CB ASP A 127 109.612 20.442 0.521 1.00 0.00 C ATOM 2073 CG ASP A 127 110.830 21.251 0.087 1.00 0.00 C ATOM 2074 OD1 ASP A 127 111.545 20.782 -0.773 1.00 0.00 O ATOM 2075 OD2 ASP A 127 111.024 22.328 0.625 1.00 0.00 O ATOM 0 H ASP A 127 111.127 18.529 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 127 108.268 18.990 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 127 108.774 21.110 0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 127 109.828 19.917 1.451 1.00 0.00 H new ATOM 2080 N GLY A 128 110.161 20.360 -2.611 1.00 0.00 N ATOM 2081 CA GLY A 128 110.052 21.028 -3.929 1.00 0.00 C ATOM 2082 C GLY A 128 109.364 20.064 -4.884 1.00 0.00 C ATOM 2083 O GLY A 128 109.078 20.392 -6.018 1.00 0.00 O ATOM 0 H GLY A 128 111.107 20.109 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 128 109.481 21.953 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 128 111.040 21.297 -4.304 1.00 0.00 H new ATOM 2087 N ASN A 129 109.129 18.857 -4.433 1.00 0.00 N ATOM 2088 CA ASN A 129 108.489 17.841 -5.308 1.00 0.00 C ATOM 2089 C ASN A 129 109.355 17.728 -6.545 1.00 0.00 C ATOM 2090 O ASN A 129 108.900 17.443 -7.635 1.00 0.00 O ATOM 2091 CB ASN A 129 107.070 18.273 -5.685 1.00 0.00 C ATOM 2092 CG ASN A 129 106.250 18.477 -4.410 1.00 0.00 C ATOM 2093 OD1 ASN A 129 105.649 19.515 -4.219 1.00 0.00 O ATOM 2094 ND2 ASN A 129 106.203 17.523 -3.522 1.00 0.00 N ATOM 0 H ASN A 129 109.356 18.535 -3.492 1.00 0.00 H new ATOM 0 HA ASN A 129 108.408 16.881 -4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 129 107.100 19.196 -6.264 1.00 0.00 H new ATOM 0 HB3 ASN A 129 106.602 17.517 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 129 105.661 17.648 -2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 129 106.708 16.651 -3.683 1.00 0.00 H new ATOM 2101 N ARG A 130 110.618 17.965 -6.361 1.00 0.00 N ATOM 2102 CA ARG A 130 111.576 17.894 -7.497 1.00 0.00 C ATOM 2103 C ARG A 130 112.999 18.027 -6.952 1.00 0.00 C ATOM 2104 O ARG A 130 113.566 19.101 -6.928 1.00 0.00 O ATOM 2105 CB ARG A 130 111.295 19.034 -8.480 1.00 0.00 C ATOM 2106 CG ARG A 130 112.247 18.923 -9.677 1.00 0.00 C ATOM 2107 CD ARG A 130 111.972 20.058 -10.663 1.00 0.00 C ATOM 2108 NE ARG A 130 112.902 19.940 -11.823 1.00 0.00 N ATOM 2109 CZ ARG A 130 114.132 20.369 -11.720 1.00 0.00 C ATOM 2110 NH1 ARG A 130 114.397 21.429 -11.007 1.00 0.00 N ATOM 2111 NH2 ARG A 130 115.097 19.736 -12.329 1.00 0.00 N ATOM 0 H ARG A 130 111.035 18.208 -5.462 1.00 0.00 H new ATOM 0 HA ARG A 130 111.465 16.941 -8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 130 110.260 18.989 -8.819 1.00 0.00 H new ATOM 0 HB3 ARG A 130 111.427 19.996 -7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 130 113.281 18.967 -9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 130 112.115 17.960 -10.170 1.00 0.00 H new ATOM 0 HD2 ARG A 130 110.938 20.015 -11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 130 112.105 21.022 -10.172 1.00 0.00 H new ATOM 0 HE ARG A 130 112.578 19.525 -12.696 1.00 0.00 H new ATOM 0 HH11 ARG A 130 113.644 21.924 -10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 130 115.357 21.763 -10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 130 114.891 18.906 -12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 130 116.057 20.071 -12.249 1.00 0.00 H new TER 2125 ARG A 130