USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 803 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 86 HIS : no HD1:sc= 0.369 K(o=1.6,f=-4.4!) USER MOD Set 1.2: A 91 THR OG1 : rot -99:sc= 1.25 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 87 SER OG : rot 64:sc= 0.381 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc=-0.00423 (180deg=-0.0881) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.402 K(o=0.4,f=-1.4) USER MOD Single : A 5 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.475 X(o=-0.47,f=-0.48) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.21) USER MOD Single : A 10 ASN : amide:sc= 1.13 K(o=1.1,f=-5.3!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.48) USER MOD Single : A 15 SER OG : rot 40:sc= 0.0472 USER MOD Single : A 16 HIS : no HE2:sc= 0.438 K(o=0.44,f=-1.6!) USER MOD Single : A 17 MET CE :methyl -149:sc= -0.298 (180deg=-2.36) USER MOD Single : A 18 THR OG1 : rot 130:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.118 X(o=0.12,f=-0.35) USER MOD Single : A 33 HIS : no HE2:sc= -1.02! C(o=-1!,f=-2.3!) USER MOD Single : A 44 HIS : no HE2:sc= -0.452 K(o=-0.45,f=-2.7) USER MOD Single : A 46 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.18) USER MOD Single : A 56 ASN : amide:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -0.0134 (180deg=-0.144) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc=-0.00231 (180deg=-0.0933) USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= 0.749 (180deg=-0.17) USER MOD Single : A 78 SER OG : rot 180:sc= 0.00145 USER MOD Single : A 79 SER OG : rot -66:sc= 0.0258 USER MOD Single : A 84 ASN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.067) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.821 27.310 4.733 1.00 0.00 N ATOM 2 CA MET A 1 -12.853 27.137 3.621 1.00 52.33 C ATOM 3 C MET A 1 -12.096 25.808 3.809 1.00 31.12 C ATOM 4 O MET A 1 -11.513 25.571 4.876 1.00 53.21 O ATOM 5 CB MET A 1 -11.857 28.331 3.568 1.00 70.12 C ATOM 6 CG MET A 1 -12.514 29.719 3.499 1.00 74.50 C ATOM 7 SD MET A 1 -13.568 29.931 2.044 1.00 0.31 S ATOM 8 CE MET A 1 -14.178 31.605 2.283 1.00 55.25 C ATOM 0 H1 MET A 1 -14.405 28.153 4.557 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.433 26.472 4.794 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.304 27.427 5.628 1.00 0.00 H new ATOM 0 HA MET A 1 -13.395 27.113 2.675 1.00 52.33 H new ATOM 0 HB2 MET A 1 -11.217 28.291 4.450 1.00 70.12 H new ATOM 0 HB3 MET A 1 -11.210 28.208 2.699 1.00 70.12 H new ATOM 0 HG2 MET A 1 -13.109 29.878 4.398 1.00 74.50 H new ATOM 0 HG3 MET A 1 -11.737 30.483 3.492 1.00 74.50 H new ATOM 0 HE1 MET A 1 -14.841 31.872 1.460 1.00 55.25 H new ATOM 0 HE2 MET A 1 -14.726 31.662 3.224 1.00 55.25 H new ATOM 0 HE3 MET A 1 -13.337 32.298 2.310 1.00 55.25 H new ATOM 20 N GLY A 2 -12.104 24.952 2.765 1.00 40.21 N ATOM 21 CA GLY A 2 -11.492 23.619 2.830 1.00 53.22 C ATOM 22 C GLY A 2 -10.570 23.337 1.658 1.00 55.14 C ATOM 23 O GLY A 2 -10.701 22.304 0.988 1.00 2.14 O ATOM 0 H GLY A 2 -12.532 25.168 1.864 1.00 40.21 H new ATOM 0 HA2 GLY A 2 -10.929 23.528 3.759 1.00 53.22 H new ATOM 0 HA3 GLY A 2 -12.278 22.864 2.858 1.00 53.22 H new ATOM 27 N HIS A 3 -9.634 24.266 1.398 1.00 43.21 N ATOM 28 CA HIS A 3 -8.569 24.066 0.399 1.00 51.32 C ATOM 29 C HIS A 3 -7.604 22.979 0.908 1.00 15.51 C ATOM 30 O HIS A 3 -6.932 23.181 1.927 1.00 34.43 O ATOM 31 CB HIS A 3 -7.810 25.387 0.112 1.00 20.44 C ATOM 32 CG HIS A 3 -8.665 26.476 -0.498 1.00 43.43 C ATOM 33 ND1 HIS A 3 -8.838 27.721 0.073 1.00 43.44 N ATOM 34 CD2 HIS A 3 -9.391 26.492 -1.643 1.00 13.34 C ATOM 35 CE1 HIS A 3 -9.634 28.448 -0.687 1.00 13.24 C ATOM 36 NE2 HIS A 3 -9.984 27.728 -1.734 1.00 51.23 N ATOM 0 H HIS A 3 -9.594 25.169 1.870 1.00 43.21 H new ATOM 0 HA HIS A 3 -9.018 23.744 -0.541 1.00 51.32 H new ATOM 0 HB2 HIS A 3 -7.382 25.756 1.044 1.00 20.44 H new ATOM 0 HB3 HIS A 3 -6.978 25.176 -0.559 1.00 20.44 H new ATOM 0 HD2 HIS A 3 -9.486 25.683 -2.352 1.00 13.34 H new ATOM 0 HE1 HIS A 3 -9.946 29.462 -0.485 1.00 13.24 H new ATOM 0 HE2 HIS A 3 -10.596 28.038 -2.489 1.00 51.23 H new ATOM 45 N HIS A 4 -7.570 21.833 0.188 1.00 3.41 N ATOM 46 CA HIS A 4 -6.806 20.622 0.572 1.00 62.53 C ATOM 47 C HIS A 4 -5.290 20.910 0.709 1.00 52.33 C ATOM 48 O HIS A 4 -4.534 20.812 -0.256 1.00 62.55 O ATOM 49 CB HIS A 4 -7.054 19.469 -0.453 1.00 52.21 C ATOM 50 CG HIS A 4 -8.439 18.851 -0.420 1.00 13.12 C ATOM 51 ND1 HIS A 4 -8.650 17.486 -0.360 1.00 23.15 N ATOM 52 CD2 HIS A 4 -9.678 19.408 -0.465 1.00 31.10 C ATOM 53 CE1 HIS A 4 -9.945 17.238 -0.375 1.00 43.41 C ATOM 54 NE2 HIS A 4 -10.590 18.382 -0.437 1.00 5.21 N ATOM 0 H HIS A 4 -8.080 21.722 -0.688 1.00 3.41 H new ATOM 0 HA HIS A 4 -7.167 20.308 1.551 1.00 62.53 H new ATOM 0 HB2 HIS A 4 -6.871 19.853 -1.456 1.00 52.21 H new ATOM 0 HB3 HIS A 4 -6.320 18.683 -0.274 1.00 52.21 H new ATOM 0 HD1 HIS A 4 -7.916 16.779 -0.312 1.00 23.15 H new ATOM 0 HD2 HIS A 4 -9.904 20.463 -0.514 1.00 31.10 H new ATOM 0 HE1 HIS A 4 -10.400 16.259 -0.342 1.00 43.41 H new ATOM 63 N HIS A 5 -4.876 21.325 1.918 1.00 60.05 N ATOM 64 CA HIS A 5 -3.463 21.549 2.270 1.00 60.20 C ATOM 65 C HIS A 5 -3.190 20.890 3.620 1.00 62.31 C ATOM 66 O HIS A 5 -3.681 21.353 4.659 1.00 65.21 O ATOM 67 CB HIS A 5 -3.124 23.061 2.326 1.00 63.51 C ATOM 68 CG HIS A 5 -3.266 23.774 1.002 1.00 44.02 C ATOM 69 ND1 HIS A 5 -4.358 24.549 0.679 1.00 70.55 N ATOM 70 CD2 HIS A 5 -2.454 23.812 -0.087 1.00 71.24 C ATOM 71 CE1 HIS A 5 -4.213 25.028 -0.540 1.00 64.24 C ATOM 72 NE2 HIS A 5 -3.071 24.594 -1.030 1.00 62.24 N ATOM 0 H HIS A 5 -5.519 21.516 2.686 1.00 60.05 H new ATOM 0 HA HIS A 5 -2.829 21.107 1.501 1.00 60.20 H new ATOM 0 HB2 HIS A 5 -3.774 23.541 3.057 1.00 63.51 H new ATOM 0 HB3 HIS A 5 -2.101 23.180 2.683 1.00 63.51 H new ATOM 0 HD2 HIS A 5 -1.499 23.318 -0.191 1.00 71.24 H new ATOM 0 HE1 HIS A 5 -4.915 25.670 -1.052 1.00 64.24 H new ATOM 0 HE2 HIS A 5 -2.705 24.805 -1.958 1.00 62.24 H new ATOM 81 N HIS A 6 -2.460 19.770 3.598 1.00 4.14 N ATOM 82 CA HIS A 6 -2.063 19.042 4.814 1.00 35.22 C ATOM 83 C HIS A 6 -0.558 18.769 4.762 1.00 33.52 C ATOM 84 O HIS A 6 -0.109 17.731 4.259 1.00 1.03 O ATOM 85 CB HIS A 6 -2.867 17.726 4.981 1.00 50.55 C ATOM 86 CG HIS A 6 -4.350 17.906 5.269 1.00 52.23 C ATOM 87 ND1 HIS A 6 -4.941 17.558 6.469 1.00 21.15 N ATOM 88 CD2 HIS A 6 -5.362 18.366 4.490 1.00 31.32 C ATOM 89 CE1 HIS A 6 -6.238 17.797 6.410 1.00 53.20 C ATOM 90 NE2 HIS A 6 -6.521 18.288 5.221 1.00 42.31 N ATOM 0 H HIS A 6 -2.126 19.339 2.736 1.00 4.14 H new ATOM 0 HA HIS A 6 -2.289 19.658 5.685 1.00 35.22 H new ATOM 0 HB2 HIS A 6 -2.759 17.135 4.072 1.00 50.55 H new ATOM 0 HB3 HIS A 6 -2.423 17.148 5.792 1.00 50.55 H new ATOM 0 HD2 HIS A 6 -5.271 18.728 3.477 1.00 31.32 H new ATOM 0 HE1 HIS A 6 -6.948 17.620 7.204 1.00 53.20 H new ATOM 0 HE2 HIS A 6 -7.448 18.564 4.897 1.00 42.31 H new ATOM 99 N HIS A 7 0.213 19.761 5.214 1.00 54.44 N ATOM 100 CA HIS A 7 1.679 19.687 5.297 1.00 12.34 C ATOM 101 C HIS A 7 2.109 19.436 6.742 1.00 53.15 C ATOM 102 O HIS A 7 1.399 19.813 7.684 1.00 53.54 O ATOM 103 CB HIS A 7 2.315 20.993 4.763 1.00 33.11 C ATOM 104 CG HIS A 7 2.182 21.171 3.272 1.00 71.24 C ATOM 105 ND1 HIS A 7 3.244 21.044 2.402 1.00 70.21 N ATOM 106 CD2 HIS A 7 1.104 21.463 2.498 1.00 52.44 C ATOM 107 CE1 HIS A 7 2.830 21.249 1.170 1.00 44.31 C ATOM 108 NE2 HIS A 7 1.539 21.503 1.201 1.00 24.15 N ATOM 0 H HIS A 7 -0.166 20.651 5.538 1.00 54.44 H new ATOM 0 HA HIS A 7 2.025 18.858 4.679 1.00 12.34 H new ATOM 0 HB2 HIS A 7 1.851 21.843 5.263 1.00 33.11 H new ATOM 0 HB3 HIS A 7 3.372 21.006 5.028 1.00 33.11 H new ATOM 0 HD2 HIS A 7 0.094 21.632 2.842 1.00 52.44 H new ATOM 0 HE1 HIS A 7 3.446 21.215 0.283 1.00 44.31 H new ATOM 0 HE2 HIS A 7 0.955 21.699 0.388 1.00 24.15 H new ATOM 117 N HIS A 8 3.282 18.809 6.904 1.00 21.23 N ATOM 118 CA HIS A 8 3.834 18.446 8.215 1.00 23.24 C ATOM 119 C HIS A 8 5.316 18.058 8.054 1.00 53.52 C ATOM 120 O HIS A 8 5.736 17.657 6.959 1.00 12.41 O ATOM 121 CB HIS A 8 3.010 17.275 8.834 1.00 1.22 C ATOM 122 CG HIS A 8 3.337 16.974 10.272 1.00 53.22 C ATOM 123 ND1 HIS A 8 2.778 17.656 11.329 1.00 31.53 N ATOM 124 CD2 HIS A 8 4.168 16.059 10.825 1.00 20.24 C ATOM 125 CE1 HIS A 8 3.255 17.177 12.459 1.00 3.34 C ATOM 126 NE2 HIS A 8 4.101 16.206 12.186 1.00 25.04 N ATOM 0 H HIS A 8 3.879 18.538 6.122 1.00 21.23 H new ATOM 0 HA HIS A 8 3.769 19.298 8.892 1.00 23.24 H new ATOM 0 HB2 HIS A 8 1.949 17.514 8.758 1.00 1.22 H new ATOM 0 HB3 HIS A 8 3.177 16.376 8.241 1.00 1.22 H new ATOM 0 HD2 HIS A 8 4.774 15.343 10.290 1.00 20.24 H new ATOM 0 HE1 HIS A 8 2.995 17.524 13.448 1.00 3.34 H new ATOM 0 HE2 HIS A 8 4.619 15.656 12.871 1.00 25.04 H new ATOM 135 N GLU A 9 6.100 18.191 9.143 1.00 35.43 N ATOM 136 CA GLU A 9 7.520 17.781 9.173 1.00 64.44 C ATOM 137 C GLU A 9 7.673 16.255 8.963 1.00 61.52 C ATOM 138 O GLU A 9 6.746 15.488 9.243 1.00 0.34 O ATOM 139 CB GLU A 9 8.188 18.271 10.498 1.00 41.12 C ATOM 140 CG GLU A 9 7.485 17.888 11.829 1.00 11.01 C ATOM 141 CD GLU A 9 7.835 16.483 12.367 1.00 33.50 C ATOM 142 OE1 GLU A 9 6.977 15.569 12.315 1.00 11.33 O ATOM 143 OE2 GLU A 9 8.968 16.300 12.877 1.00 54.41 O ATOM 0 H GLU A 9 5.769 18.584 10.024 1.00 35.43 H new ATOM 0 HA GLU A 9 8.042 18.255 8.342 1.00 64.44 H new ATOM 0 HB2 GLU A 9 9.205 17.881 10.528 1.00 41.12 H new ATOM 0 HB3 GLU A 9 8.265 19.358 10.456 1.00 41.12 H new ATOM 0 HG2 GLU A 9 7.746 18.627 12.587 1.00 11.01 H new ATOM 0 HG3 GLU A 9 6.406 17.947 11.684 1.00 11.01 H new ATOM 150 N ASN A 10 8.830 15.818 8.437 1.00 62.22 N ATOM 151 CA ASN A 10 9.086 14.394 8.118 1.00 35.14 C ATOM 152 C ASN A 10 10.408 13.934 8.747 1.00 41.44 C ATOM 153 O ASN A 10 11.447 14.589 8.596 1.00 64.22 O ATOM 154 CB ASN A 10 9.090 14.159 6.577 1.00 4.14 C ATOM 155 CG ASN A 10 7.689 14.232 5.956 1.00 23.04 C ATOM 156 OD1 ASN A 10 6.995 13.223 5.845 1.00 14.24 O ATOM 157 ND2 ASN A 10 7.254 15.424 5.589 1.00 71.41 N ATOM 0 H ASN A 10 9.613 16.434 8.220 1.00 62.22 H new ATOM 0 HA ASN A 10 8.278 13.797 8.542 1.00 35.14 H new ATOM 0 HB2 ASN A 10 9.731 14.903 6.103 1.00 4.14 H new ATOM 0 HB3 ASN A 10 9.525 13.182 6.365 1.00 4.14 H new ATOM 0 HD21 ASN A 10 6.317 15.527 5.200 1.00 71.41 H new ATOM 0 HD22 ASN A 10 7.855 16.241 5.695 1.00 71.41 H new ATOM 164 N LEU A 11 10.347 12.807 9.478 1.00 2.12 N ATOM 165 CA LEU A 11 11.511 12.187 10.124 1.00 23.43 C ATOM 166 C LEU A 11 12.173 11.227 9.122 1.00 1.41 C ATOM 167 O LEU A 11 11.702 10.099 8.927 1.00 32.31 O ATOM 168 CB LEU A 11 11.103 11.432 11.436 1.00 63.34 C ATOM 169 CG LEU A 11 10.512 12.301 12.608 1.00 52.20 C ATOM 170 CD1 LEU A 11 9.089 12.815 12.304 1.00 2.31 C ATOM 171 CD2 LEU A 11 10.541 11.524 13.947 1.00 41.33 C ATOM 0 H LEU A 11 9.478 12.298 9.637 1.00 2.12 H new ATOM 0 HA LEU A 11 12.218 12.964 10.414 1.00 23.43 H new ATOM 0 HB2 LEU A 11 10.367 10.672 11.174 1.00 63.34 H new ATOM 0 HB3 LEU A 11 11.982 10.909 11.813 1.00 63.34 H new ATOM 0 HG LEU A 11 11.154 13.177 12.701 1.00 52.20 H new ATOM 0 HD11 LEU A 11 8.729 13.408 13.145 1.00 2.31 H new ATOM 0 HD12 LEU A 11 9.109 13.433 11.406 1.00 2.31 H new ATOM 0 HD13 LEU A 11 8.422 11.967 12.146 1.00 2.31 H new ATOM 0 HD21 LEU A 11 10.127 12.148 14.739 1.00 41.33 H new ATOM 0 HD22 LEU A 11 9.947 10.615 13.853 1.00 41.33 H new ATOM 0 HD23 LEU A 11 11.570 11.261 14.193 1.00 41.33 H new ATOM 183 N TYR A 12 13.215 11.713 8.432 1.00 41.32 N ATOM 184 CA TYR A 12 14.029 10.895 7.527 1.00 1.31 C ATOM 185 C TYR A 12 15.065 10.123 8.359 1.00 55.50 C ATOM 186 O TYR A 12 16.094 10.683 8.756 1.00 13.42 O ATOM 187 CB TYR A 12 14.715 11.783 6.458 1.00 3.34 C ATOM 188 CG TYR A 12 13.735 12.525 5.542 1.00 33.25 C ATOM 189 CD1 TYR A 12 13.213 11.911 4.404 1.00 2.04 C ATOM 190 CD2 TYR A 12 13.327 13.833 5.816 1.00 5.45 C ATOM 191 CE1 TYR A 12 12.331 12.575 3.574 1.00 21.11 C ATOM 192 CE2 TYR A 12 12.445 14.499 4.988 1.00 24.41 C ATOM 193 CZ TYR A 12 11.948 13.869 3.871 1.00 12.31 C ATOM 194 OH TYR A 12 11.068 14.541 3.048 1.00 5.15 O ATOM 0 H TYR A 12 13.516 12.686 8.487 1.00 41.32 H new ATOM 0 HA TYR A 12 13.394 10.185 6.997 1.00 1.31 H new ATOM 0 HB2 TYR A 12 15.351 12.512 6.960 1.00 3.34 H new ATOM 0 HB3 TYR A 12 15.367 11.159 5.846 1.00 3.34 H new ATOM 0 HD1 TYR A 12 13.504 10.898 4.167 1.00 2.04 H new ATOM 0 HD2 TYR A 12 13.709 14.333 6.693 1.00 5.45 H new ATOM 0 HE1 TYR A 12 11.941 12.084 2.695 1.00 21.11 H new ATOM 0 HE2 TYR A 12 12.146 15.511 5.217 1.00 24.41 H new ATOM 0 HH TYR A 12 10.906 15.439 3.406 1.00 5.15 H new ATOM 204 N PHE A 13 14.739 8.860 8.672 1.00 31.45 N ATOM 205 CA PHE A 13 15.581 7.998 9.518 1.00 34.51 C ATOM 206 C PHE A 13 16.900 7.656 8.778 1.00 3.35 C ATOM 207 O PHE A 13 16.872 7.355 7.576 1.00 51.30 O ATOM 208 CB PHE A 13 14.785 6.713 9.903 1.00 32.44 C ATOM 209 CG PHE A 13 15.206 6.047 11.214 1.00 23.45 C ATOM 210 CD1 PHE A 13 14.653 6.466 12.425 1.00 22.42 C ATOM 211 CD2 PHE A 13 16.143 5.014 11.244 1.00 2.24 C ATOM 212 CE1 PHE A 13 15.017 5.872 13.618 1.00 30.44 C ATOM 213 CE2 PHE A 13 16.504 4.422 12.442 1.00 53.53 C ATOM 214 CZ PHE A 13 15.947 4.854 13.628 1.00 41.30 C ATOM 0 H PHE A 13 13.885 8.407 8.347 1.00 31.45 H new ATOM 0 HA PHE A 13 15.845 8.522 10.437 1.00 34.51 H new ATOM 0 HB2 PHE A 13 13.727 6.968 9.968 1.00 32.44 H new ATOM 0 HB3 PHE A 13 14.889 5.987 9.097 1.00 32.44 H new ATOM 0 HD1 PHE A 13 13.929 7.267 12.430 1.00 22.42 H new ATOM 0 HD2 PHE A 13 16.592 4.673 10.323 1.00 2.24 H new ATOM 0 HE1 PHE A 13 14.573 6.205 14.544 1.00 30.44 H new ATOM 0 HE2 PHE A 13 17.225 3.618 12.448 1.00 53.53 H new ATOM 0 HZ PHE A 13 16.239 4.396 14.562 1.00 41.30 H new ATOM 224 N GLN A 14 18.032 7.721 9.512 1.00 73.12 N ATOM 225 CA GLN A 14 19.398 7.547 8.967 1.00 44.34 C ATOM 226 C GLN A 14 19.517 6.194 8.244 1.00 13.25 C ATOM 227 O GLN A 14 19.805 6.147 7.042 1.00 35.43 O ATOM 228 CB GLN A 14 20.429 7.686 10.137 1.00 64.12 C ATOM 229 CG GLN A 14 21.941 7.718 9.774 1.00 75.42 C ATOM 230 CD GLN A 14 22.550 6.366 9.354 1.00 14.52 C ATOM 231 OE1 GLN A 14 22.631 6.045 8.165 1.00 21.01 O ATOM 232 NE2 GLN A 14 22.923 5.548 10.323 1.00 34.32 N ATOM 0 H GLN A 14 18.023 7.899 10.516 1.00 73.12 H new ATOM 0 HA GLN A 14 19.612 8.318 8.227 1.00 44.34 H new ATOM 0 HB2 GLN A 14 20.196 8.601 10.681 1.00 64.12 H new ATOM 0 HB3 GLN A 14 20.268 6.856 10.825 1.00 64.12 H new ATOM 0 HG2 GLN A 14 22.087 8.431 8.962 1.00 75.42 H new ATOM 0 HG3 GLN A 14 22.495 8.095 10.633 1.00 75.42 H new ATOM 0 HE21 GLN A 14 22.844 5.841 11.297 1.00 34.32 H new ATOM 0 HE22 GLN A 14 23.290 4.623 10.097 1.00 34.32 H new ATOM 241 N SER A 15 19.291 5.107 8.984 1.00 11.14 N ATOM 242 CA SER A 15 19.340 3.756 8.432 1.00 73.55 C ATOM 243 C SER A 15 17.998 3.413 7.763 1.00 32.22 C ATOM 244 O SER A 15 16.965 3.265 8.431 1.00 43.33 O ATOM 245 CB SER A 15 19.724 2.746 9.535 1.00 10.23 C ATOM 246 OG SER A 15 18.951 2.932 10.708 1.00 22.10 O ATOM 0 H SER A 15 19.070 5.140 9.979 1.00 11.14 H new ATOM 0 HA SER A 15 20.110 3.700 7.662 1.00 73.55 H new ATOM 0 HB2 SER A 15 19.584 1.731 9.164 1.00 10.23 H new ATOM 0 HB3 SER A 15 20.782 2.854 9.775 1.00 10.23 H new ATOM 0 HG SER A 15 18.023 3.128 10.461 1.00 22.10 H new ATOM 252 N HIS A 16 18.024 3.341 6.423 1.00 54.43 N ATOM 253 CA HIS A 16 16.849 3.031 5.602 1.00 23.23 C ATOM 254 C HIS A 16 16.683 1.514 5.446 1.00 52.43 C ATOM 255 O HIS A 16 17.662 0.781 5.254 1.00 63.00 O ATOM 256 CB HIS A 16 16.951 3.725 4.224 1.00 32.33 C ATOM 257 CG HIS A 16 16.876 5.227 4.307 1.00 4.22 C ATOM 258 ND1 HIS A 16 15.691 5.918 4.196 1.00 23.11 N ATOM 259 CD2 HIS A 16 17.831 6.164 4.536 1.00 74.23 C ATOM 260 CE1 HIS A 16 15.913 7.205 4.352 1.00 43.20 C ATOM 261 NE2 HIS A 16 17.204 7.384 4.559 1.00 52.12 N ATOM 0 H HIS A 16 18.871 3.498 5.876 1.00 54.43 H new ATOM 0 HA HIS A 16 15.963 3.415 6.108 1.00 23.23 H new ATOM 0 HB2 HIS A 16 17.891 3.441 3.750 1.00 32.33 H new ATOM 0 HB3 HIS A 16 16.148 3.363 3.582 1.00 32.33 H new ATOM 0 HD1 HIS A 16 14.779 5.496 4.020 1.00 23.11 H new ATOM 0 HD2 HIS A 16 18.887 5.983 4.674 1.00 74.23 H new ATOM 0 HE1 HIS A 16 15.165 7.984 4.317 1.00 43.20 H new ATOM 270 N MET A 17 15.422 1.064 5.517 1.00 70.35 N ATOM 271 CA MET A 17 15.051 -0.350 5.497 1.00 1.04 C ATOM 272 C MET A 17 13.829 -0.557 4.575 1.00 13.33 C ATOM 273 O MET A 17 12.669 -0.511 5.013 1.00 51.34 O ATOM 274 CB MET A 17 14.810 -0.857 6.953 1.00 51.31 C ATOM 275 CG MET A 17 13.781 -0.061 7.780 1.00 30.41 C ATOM 276 SD MET A 17 13.529 -0.740 9.438 1.00 44.50 S ATOM 277 CE MET A 17 13.169 -2.461 9.071 1.00 53.21 C ATOM 0 H MET A 17 14.619 1.689 5.591 1.00 70.35 H new ATOM 0 HA MET A 17 15.864 -0.948 5.086 1.00 1.04 H new ATOM 0 HB2 MET A 17 14.484 -1.896 6.906 1.00 51.31 H new ATOM 0 HB3 MET A 17 15.762 -0.845 7.484 1.00 51.31 H new ATOM 0 HG2 MET A 17 14.113 0.974 7.864 1.00 30.41 H new ATOM 0 HG3 MET A 17 12.829 -0.048 7.250 1.00 30.41 H new ATOM 0 HE1 MET A 17 12.491 -2.860 9.826 1.00 53.21 H new ATOM 0 HE2 MET A 17 12.702 -2.534 8.089 1.00 53.21 H new ATOM 0 HE3 MET A 17 14.095 -3.035 9.075 1.00 53.21 H new ATOM 287 N THR A 18 14.123 -0.673 3.263 1.00 12.32 N ATOM 288 CA THR A 18 13.138 -0.980 2.193 1.00 22.34 C ATOM 289 C THR A 18 12.163 0.206 1.907 1.00 33.54 C ATOM 290 O THR A 18 11.398 0.184 0.934 1.00 11.44 O ATOM 291 CB THR A 18 12.365 -2.317 2.507 1.00 42.54 C ATOM 292 OG1 THR A 18 13.317 -3.321 2.890 1.00 20.05 O ATOM 293 CG2 THR A 18 11.542 -2.850 1.315 1.00 22.21 C ATOM 0 H THR A 18 15.071 -0.554 2.906 1.00 12.32 H new ATOM 0 HA THR A 18 13.703 -1.127 1.273 1.00 22.34 H new ATOM 0 HB THR A 18 11.660 -2.094 3.308 1.00 42.54 H new ATOM 0 HG1 THR A 18 13.029 -3.743 3.726 1.00 20.05 H new ATOM 0 HG21 THR A 18 11.038 -3.772 1.604 1.00 22.21 H new ATOM 0 HG22 THR A 18 10.800 -2.106 1.024 1.00 22.21 H new ATOM 0 HG23 THR A 18 12.206 -3.049 0.474 1.00 22.21 H new ATOM 301 N ASP A 19 12.258 1.284 2.708 1.00 53.22 N ATOM 302 CA ASP A 19 11.304 2.415 2.668 1.00 64.42 C ATOM 303 C ASP A 19 11.558 3.356 1.474 1.00 23.21 C ATOM 304 O ASP A 19 10.869 4.355 1.338 1.00 74.10 O ATOM 305 CB ASP A 19 11.342 3.206 4.005 1.00 12.11 C ATOM 306 CG ASP A 19 12.680 3.925 4.229 1.00 65.43 C ATOM 307 OD1 ASP A 19 12.776 5.141 3.964 1.00 0.51 O ATOM 308 OD2 ASP A 19 13.645 3.270 4.652 1.00 3.45 O ATOM 0 H ASP A 19 12.997 1.398 3.402 1.00 53.22 H new ATOM 0 HA ASP A 19 10.309 1.991 2.533 1.00 64.42 H new ATOM 0 HB2 ASP A 19 10.535 3.938 4.012 1.00 12.11 H new ATOM 0 HB3 ASP A 19 11.159 2.521 4.833 1.00 12.11 H new ATOM 313 N GLU A 20 12.557 3.032 0.628 1.00 25.45 N ATOM 314 CA GLU A 20 12.840 3.773 -0.618 1.00 15.44 C ATOM 315 C GLU A 20 11.719 3.501 -1.643 1.00 23.45 C ATOM 316 O GLU A 20 11.113 4.431 -2.199 1.00 23.03 O ATOM 317 CB GLU A 20 14.224 3.354 -1.191 1.00 45.40 C ATOM 318 CG GLU A 20 14.688 4.162 -2.425 1.00 21.23 C ATOM 319 CD GLU A 20 15.955 3.589 -3.079 1.00 4.43 C ATOM 320 OE1 GLU A 20 17.079 4.023 -2.731 1.00 5.11 O ATOM 321 OE2 GLU A 20 15.830 2.689 -3.941 1.00 71.22 O ATOM 0 H GLU A 20 13.190 2.249 0.790 1.00 25.45 H new ATOM 0 HA GLU A 20 12.872 4.841 -0.405 1.00 15.44 H new ATOM 0 HB2 GLU A 20 14.973 3.456 -0.405 1.00 45.40 H new ATOM 0 HB3 GLU A 20 14.186 2.298 -1.459 1.00 45.40 H new ATOM 0 HG2 GLU A 20 13.884 4.183 -3.161 1.00 21.23 H new ATOM 0 HG3 GLU A 20 14.875 5.194 -2.127 1.00 21.23 H new ATOM 328 N LEU A 21 11.452 2.199 -1.863 1.00 3.13 N ATOM 329 CA LEU A 21 10.353 1.721 -2.730 1.00 65.20 C ATOM 330 C LEU A 21 8.989 2.077 -2.110 1.00 32.00 C ATOM 331 O LEU A 21 8.042 2.472 -2.803 1.00 23.11 O ATOM 332 CB LEU A 21 10.455 0.182 -2.911 1.00 33.02 C ATOM 333 CG LEU A 21 9.326 -0.504 -3.750 1.00 54.21 C ATOM 334 CD1 LEU A 21 9.382 -0.087 -5.238 1.00 44.13 C ATOM 335 CD2 LEU A 21 9.358 -2.042 -3.566 1.00 22.31 C ATOM 0 H LEU A 21 11.994 1.444 -1.443 1.00 3.13 H new ATOM 0 HA LEU A 21 10.439 2.207 -3.702 1.00 65.20 H new ATOM 0 HB2 LEU A 21 11.412 -0.042 -3.381 1.00 33.02 H new ATOM 0 HB3 LEU A 21 10.470 -0.277 -1.922 1.00 33.02 H new ATOM 0 HG LEU A 21 8.366 -0.153 -3.371 1.00 54.21 H new ATOM 0 HD11 LEU A 21 8.582 -0.585 -5.786 1.00 44.13 H new ATOM 0 HD12 LEU A 21 9.259 0.993 -5.318 1.00 44.13 H new ATOM 0 HD13 LEU A 21 10.345 -0.375 -5.661 1.00 44.13 H new ATOM 0 HD21 LEU A 21 8.564 -2.496 -4.159 1.00 22.31 H new ATOM 0 HD22 LEU A 21 10.323 -2.428 -3.895 1.00 22.31 H new ATOM 0 HD23 LEU A 21 9.210 -2.286 -2.514 1.00 22.31 H new ATOM 347 N LEU A 22 8.926 1.933 -0.785 1.00 71.33 N ATOM 348 CA LEU A 22 7.709 2.144 -0.006 1.00 12.00 C ATOM 349 C LEU A 22 7.334 3.640 0.058 1.00 40.52 C ATOM 350 O LEU A 22 6.154 3.968 0.127 1.00 23.53 O ATOM 351 CB LEU A 22 7.909 1.543 1.406 1.00 51.22 C ATOM 352 CG LEU A 22 8.220 0.005 1.467 1.00 74.24 C ATOM 353 CD1 LEU A 22 8.605 -0.424 2.908 1.00 71.02 C ATOM 354 CD2 LEU A 22 7.038 -0.829 0.921 1.00 45.00 C ATOM 0 H LEU A 22 9.730 1.663 -0.218 1.00 71.33 H new ATOM 0 HA LEU A 22 6.875 1.638 -0.493 1.00 12.00 H new ATOM 0 HB2 LEU A 22 8.725 2.077 1.893 1.00 51.22 H new ATOM 0 HB3 LEU A 22 7.009 1.734 1.990 1.00 51.22 H new ATOM 0 HG LEU A 22 9.077 -0.191 0.823 1.00 74.24 H new ATOM 0 HD11 LEU A 22 8.816 -1.493 2.925 1.00 71.02 H new ATOM 0 HD12 LEU A 22 9.491 0.126 3.227 1.00 71.02 H new ATOM 0 HD13 LEU A 22 7.779 -0.206 3.585 1.00 71.02 H new ATOM 0 HD21 LEU A 22 7.284 -1.889 0.977 1.00 45.00 H new ATOM 0 HD22 LEU A 22 6.147 -0.632 1.517 1.00 45.00 H new ATOM 0 HD23 LEU A 22 6.848 -0.555 -0.117 1.00 45.00 H new ATOM 366 N GLU A 23 8.340 4.541 -0.018 1.00 31.22 N ATOM 367 CA GLU A 23 8.111 6.009 0.021 1.00 72.00 C ATOM 368 C GLU A 23 7.262 6.459 -1.183 1.00 2.50 C ATOM 369 O GLU A 23 6.478 7.410 -1.091 1.00 63.13 O ATOM 370 CB GLU A 23 9.460 6.777 0.037 1.00 13.35 C ATOM 371 CG GLU A 23 9.362 8.270 0.422 1.00 30.34 C ATOM 372 CD GLU A 23 8.863 8.522 1.865 1.00 71.05 C ATOM 373 OE1 GLU A 23 9.309 7.817 2.799 1.00 74.11 O ATOM 374 OE2 GLU A 23 8.063 9.454 2.080 1.00 52.23 O ATOM 0 H GLU A 23 9.322 4.279 -0.107 1.00 31.22 H new ATOM 0 HA GLU A 23 7.569 6.240 0.938 1.00 72.00 H new ATOM 0 HB2 GLU A 23 10.134 6.281 0.736 1.00 13.35 H new ATOM 0 HB3 GLU A 23 9.914 6.702 -0.951 1.00 13.35 H new ATOM 0 HG2 GLU A 23 10.343 8.729 0.304 1.00 30.34 H new ATOM 0 HG3 GLU A 23 8.690 8.770 -0.275 1.00 30.34 H new ATOM 381 N ARG A 24 7.415 5.725 -2.303 1.00 13.25 N ATOM 382 CA ARG A 24 6.627 5.951 -3.529 1.00 52.22 C ATOM 383 C ARG A 24 5.139 5.675 -3.238 1.00 73.04 C ATOM 384 O ARG A 24 4.250 6.434 -3.650 1.00 71.21 O ATOM 385 CB ARG A 24 7.111 5.018 -4.681 1.00 31.20 C ATOM 386 CG ARG A 24 8.645 4.902 -4.845 1.00 24.23 C ATOM 387 CD ARG A 24 9.359 6.249 -5.049 1.00 61.31 C ATOM 388 NE ARG A 24 10.813 6.066 -5.138 1.00 35.43 N ATOM 389 CZ ARG A 24 11.734 7.037 -5.053 1.00 52.24 C ATOM 390 NH1 ARG A 24 11.385 8.316 -4.874 1.00 55.44 N ATOM 391 NH2 ARG A 24 13.014 6.714 -5.155 1.00 45.22 N ATOM 0 H ARG A 24 8.086 4.961 -2.382 1.00 13.25 H new ATOM 0 HA ARG A 24 6.761 6.986 -3.842 1.00 52.22 H new ATOM 0 HB2 ARG A 24 6.705 4.021 -4.512 1.00 31.20 H new ATOM 0 HB3 ARG A 24 6.689 5.379 -5.619 1.00 31.20 H new ATOM 0 HG2 ARG A 24 9.058 4.414 -3.962 1.00 24.23 H new ATOM 0 HG3 ARG A 24 8.861 4.256 -5.696 1.00 24.23 H new ATOM 0 HD2 ARG A 24 8.992 6.725 -5.959 1.00 61.31 H new ATOM 0 HD3 ARG A 24 9.123 6.919 -4.222 1.00 61.31 H new ATOM 0 HE ARG A 24 11.153 5.115 -5.277 1.00 35.43 H new ATOM 0 HH11 ARG A 24 10.400 8.570 -4.799 1.00 55.44 H new ATOM 0 HH12 ARG A 24 12.104 9.037 -4.812 1.00 55.44 H new ATOM 0 HH21 ARG A 24 13.285 5.741 -5.296 1.00 45.22 H new ATOM 0 HH22 ARG A 24 13.729 7.438 -5.093 1.00 45.22 H new ATOM 405 N LEU A 25 4.906 4.587 -2.479 1.00 21.22 N ATOM 406 CA LEU A 25 3.561 4.124 -2.110 1.00 44.43 C ATOM 407 C LEU A 25 2.978 5.069 -1.041 1.00 31.33 C ATOM 408 O LEU A 25 1.770 5.337 -1.025 1.00 63.31 O ATOM 409 CB LEU A 25 3.643 2.661 -1.576 1.00 70.15 C ATOM 410 CG LEU A 25 4.403 1.631 -2.481 1.00 65.40 C ATOM 411 CD1 LEU A 25 4.522 0.252 -1.790 1.00 55.12 C ATOM 412 CD2 LEU A 25 3.743 1.508 -3.869 1.00 65.45 C ATOM 0 H LEU A 25 5.653 4.003 -2.104 1.00 21.22 H new ATOM 0 HA LEU A 25 2.906 4.135 -2.981 1.00 44.43 H new ATOM 0 HB2 LEU A 25 4.127 2.680 -0.599 1.00 70.15 H new ATOM 0 HB3 LEU A 25 2.628 2.296 -1.421 1.00 70.15 H new ATOM 0 HG LEU A 25 5.414 2.011 -2.631 1.00 65.40 H new ATOM 0 HD11 LEU A 25 5.054 -0.438 -2.445 1.00 55.12 H new ATOM 0 HD12 LEU A 25 5.070 0.360 -0.854 1.00 55.12 H new ATOM 0 HD13 LEU A 25 3.526 -0.139 -1.584 1.00 55.12 H new ATOM 0 HD21 LEU A 25 4.294 0.786 -4.471 1.00 65.45 H new ATOM 0 HD22 LEU A 25 2.712 1.172 -3.753 1.00 65.45 H new ATOM 0 HD23 LEU A 25 3.755 2.479 -4.365 1.00 65.45 H new ATOM 424 N ARG A 26 3.880 5.599 -0.187 1.00 50.44 N ATOM 425 CA ARG A 26 3.532 6.480 0.932 1.00 11.14 C ATOM 426 C ARG A 26 2.929 7.798 0.450 1.00 54.41 C ATOM 427 O ARG A 26 1.919 8.227 0.977 1.00 63.00 O ATOM 428 CB ARG A 26 4.757 6.802 1.832 1.00 51.51 C ATOM 429 CG ARG A 26 4.409 7.801 2.952 1.00 74.12 C ATOM 430 CD ARG A 26 5.541 8.152 3.902 1.00 23.00 C ATOM 431 NE ARG A 26 5.063 9.159 4.866 1.00 42.34 N ATOM 432 CZ ARG A 26 5.641 10.333 5.129 1.00 64.31 C ATOM 433 NH1 ARG A 26 6.765 10.693 4.516 1.00 0.12 N ATOM 434 NH2 ARG A 26 5.040 11.172 5.962 1.00 4.41 N ATOM 0 H ARG A 26 4.881 5.420 -0.262 1.00 50.44 H new ATOM 0 HA ARG A 26 2.794 5.931 1.517 1.00 11.14 H new ATOM 0 HB2 ARG A 26 5.133 5.880 2.274 1.00 51.51 H new ATOM 0 HB3 ARG A 26 5.559 7.212 1.218 1.00 51.51 H new ATOM 0 HG2 ARG A 26 4.047 8.721 2.493 1.00 74.12 H new ATOM 0 HG3 ARG A 26 3.585 7.391 3.535 1.00 74.12 H new ATOM 0 HD2 ARG A 26 5.882 7.260 4.427 1.00 23.00 H new ATOM 0 HD3 ARG A 26 6.394 8.539 3.345 1.00 23.00 H new ATOM 0 HE ARG A 26 4.210 8.938 5.381 1.00 42.34 H new ATOM 0 HH11 ARG A 26 7.197 10.069 3.835 1.00 0.12 H new ATOM 0 HH12 ARG A 26 7.195 11.593 4.727 1.00 0.12 H new ATOM 0 HH21 ARG A 26 4.150 10.916 6.390 1.00 4.41 H new ATOM 0 HH22 ARG A 26 5.467 12.073 6.174 1.00 4.41 H new ATOM 448 N GLN A 27 3.589 8.447 -0.522 1.00 13.11 N ATOM 449 CA GLN A 27 3.171 9.782 -0.999 1.00 23.24 C ATOM 450 C GLN A 27 1.738 9.757 -1.571 1.00 32.41 C ATOM 451 O GLN A 27 0.985 10.740 -1.444 1.00 32.43 O ATOM 452 CB GLN A 27 4.178 10.321 -2.041 1.00 41.12 C ATOM 453 CG GLN A 27 5.602 10.559 -1.493 1.00 74.42 C ATOM 454 CD GLN A 27 5.665 11.568 -0.334 1.00 45.02 C ATOM 455 OE1 GLN A 27 4.857 12.494 -0.245 1.00 24.14 O ATOM 456 NE2 GLN A 27 6.637 11.412 0.547 1.00 60.43 N ATOM 0 H GLN A 27 4.412 8.073 -0.994 1.00 13.11 H new ATOM 0 HA GLN A 27 3.164 10.458 -0.144 1.00 23.24 H new ATOM 0 HB2 GLN A 27 4.235 9.616 -2.871 1.00 41.12 H new ATOM 0 HB3 GLN A 27 3.796 11.259 -2.445 1.00 41.12 H new ATOM 0 HG2 GLN A 27 6.014 9.608 -1.156 1.00 74.42 H new ATOM 0 HG3 GLN A 27 6.238 10.913 -2.304 1.00 74.42 H new ATOM 0 HE21 GLN A 27 7.293 10.637 0.451 1.00 60.43 H new ATOM 0 HE22 GLN A 27 6.731 12.067 1.323 1.00 60.43 H new ATOM 465 N LEU A 28 1.367 8.612 -2.174 1.00 31.12 N ATOM 466 CA LEU A 28 -0.015 8.351 -2.595 1.00 74.35 C ATOM 467 C LEU A 28 -0.918 8.215 -1.351 1.00 53.33 C ATOM 468 O LEU A 28 -1.951 8.880 -1.260 1.00 41.12 O ATOM 469 CB LEU A 28 -0.092 7.079 -3.477 1.00 64.01 C ATOM 470 CG LEU A 28 -1.509 6.717 -4.028 1.00 63.42 C ATOM 471 CD1 LEU A 28 -2.125 7.864 -4.866 1.00 31.44 C ATOM 472 CD2 LEU A 28 -1.461 5.402 -4.823 1.00 25.14 C ATOM 0 H LEU A 28 2.013 7.850 -2.380 1.00 31.12 H new ATOM 0 HA LEU A 28 -0.367 9.190 -3.196 1.00 74.35 H new ATOM 0 HB2 LEU A 28 0.584 7.205 -4.322 1.00 64.01 H new ATOM 0 HB3 LEU A 28 0.278 6.234 -2.896 1.00 64.01 H new ATOM 0 HG LEU A 28 -2.166 6.575 -3.170 1.00 63.42 H new ATOM 0 HD11 LEU A 28 -3.109 7.564 -5.226 1.00 31.44 H new ATOM 0 HD12 LEU A 28 -2.222 8.756 -4.247 1.00 31.44 H new ATOM 0 HD13 LEU A 28 -1.478 8.081 -5.716 1.00 31.44 H new ATOM 0 HD21 LEU A 28 -2.457 5.167 -5.198 1.00 25.14 H new ATOM 0 HD22 LEU A 28 -0.773 5.509 -5.662 1.00 25.14 H new ATOM 0 HD23 LEU A 28 -1.119 4.596 -4.173 1.00 25.14 H new ATOM 484 N PHE A 29 -0.476 7.391 -0.374 1.00 23.24 N ATOM 485 CA PHE A 29 -1.205 7.182 0.899 1.00 51.21 C ATOM 486 C PHE A 29 -1.416 8.508 1.655 1.00 21.31 C ATOM 487 O PHE A 29 -2.404 8.659 2.361 1.00 12.42 O ATOM 488 CB PHE A 29 -0.464 6.174 1.831 1.00 30.53 C ATOM 489 CG PHE A 29 -0.304 4.742 1.318 1.00 62.13 C ATOM 490 CD1 PHE A 29 -1.073 4.247 0.265 1.00 61.42 C ATOM 491 CD2 PHE A 29 0.619 3.874 1.915 1.00 51.32 C ATOM 492 CE1 PHE A 29 -0.910 2.951 -0.181 1.00 33.42 C ATOM 493 CE2 PHE A 29 0.775 2.577 1.462 1.00 23.30 C ATOM 494 CZ PHE A 29 0.005 2.113 0.420 1.00 65.24 C ATOM 0 H PHE A 29 0.389 6.856 -0.444 1.00 23.24 H new ATOM 0 HA PHE A 29 -2.176 6.766 0.631 1.00 51.21 H new ATOM 0 HB2 PHE A 29 0.529 6.572 2.039 1.00 30.53 H new ATOM 0 HB3 PHE A 29 -0.997 6.136 2.781 1.00 30.53 H new ATOM 0 HD1 PHE A 29 -1.805 4.886 -0.207 1.00 61.42 H new ATOM 0 HD2 PHE A 29 1.219 4.223 2.743 1.00 51.32 H new ATOM 0 HE1 PHE A 29 -1.504 2.590 -1.008 1.00 33.42 H new ATOM 0 HE2 PHE A 29 1.502 1.927 1.926 1.00 23.30 H new ATOM 0 HZ PHE A 29 0.117 1.096 0.074 1.00 65.24 H new ATOM 504 N GLU A 30 -0.471 9.455 1.495 1.00 54.41 N ATOM 505 CA GLU A 30 -0.546 10.781 2.130 1.00 12.42 C ATOM 506 C GLU A 30 -1.617 11.641 1.426 1.00 4.15 C ATOM 507 O GLU A 30 -2.414 12.313 2.088 1.00 14.23 O ATOM 508 CB GLU A 30 0.832 11.510 2.098 1.00 3.33 C ATOM 509 CG GLU A 30 1.962 10.869 2.941 1.00 72.13 C ATOM 510 CD GLU A 30 1.770 10.939 4.475 1.00 15.55 C ATOM 511 OE1 GLU A 30 2.178 9.988 5.179 1.00 73.34 O ATOM 512 OE2 GLU A 30 1.248 11.958 4.983 1.00 52.11 O ATOM 0 H GLU A 30 0.363 9.321 0.923 1.00 54.41 H new ATOM 0 HA GLU A 30 -0.823 10.638 3.175 1.00 12.42 H new ATOM 0 HB2 GLU A 30 1.166 11.566 1.062 1.00 3.33 H new ATOM 0 HB3 GLU A 30 0.686 12.534 2.442 1.00 3.33 H new ATOM 0 HG2 GLU A 30 2.058 9.823 2.652 1.00 72.13 H new ATOM 0 HG3 GLU A 30 2.903 11.358 2.687 1.00 72.13 H new ATOM 519 N GLU A 31 -1.622 11.586 0.082 1.00 23.45 N ATOM 520 CA GLU A 31 -2.614 12.283 -0.776 1.00 64.34 C ATOM 521 C GLU A 31 -4.059 11.813 -0.457 1.00 53.43 C ATOM 522 O GLU A 31 -5.029 12.573 -0.581 1.00 12.42 O ATOM 523 CB GLU A 31 -2.270 12.007 -2.271 1.00 60.24 C ATOM 524 CG GLU A 31 -3.184 12.717 -3.287 1.00 63.52 C ATOM 525 CD GLU A 31 -2.904 12.318 -4.744 1.00 20.41 C ATOM 526 OE1 GLU A 31 -3.384 11.247 -5.175 1.00 74.42 O ATOM 527 OE2 GLU A 31 -2.238 13.089 -5.475 1.00 73.12 O ATOM 0 H GLU A 31 -0.934 11.053 -0.450 1.00 23.45 H new ATOM 0 HA GLU A 31 -2.567 13.354 -0.577 1.00 64.34 H new ATOM 0 HB2 GLU A 31 -1.240 12.313 -2.454 1.00 60.24 H new ATOM 0 HB3 GLU A 31 -2.320 10.933 -2.448 1.00 60.24 H new ATOM 0 HG2 GLU A 31 -4.223 12.490 -3.050 1.00 63.52 H new ATOM 0 HG3 GLU A 31 -3.061 13.795 -3.183 1.00 63.52 H new ATOM 534 N LEU A 32 -4.170 10.549 -0.034 1.00 42.12 N ATOM 535 CA LEU A 32 -5.453 9.917 0.324 1.00 14.14 C ATOM 536 C LEU A 32 -5.824 10.236 1.797 1.00 54.11 C ATOM 537 O LEU A 32 -6.955 10.654 2.099 1.00 10.03 O ATOM 538 CB LEU A 32 -5.334 8.385 0.078 1.00 54.41 C ATOM 539 CG LEU A 32 -4.901 7.970 -1.367 1.00 73.45 C ATOM 540 CD1 LEU A 32 -4.592 6.456 -1.466 1.00 62.14 C ATOM 541 CD2 LEU A 32 -5.938 8.428 -2.420 1.00 21.41 C ATOM 0 H LEU A 32 -3.368 9.928 0.072 1.00 42.12 H new ATOM 0 HA LEU A 32 -6.255 10.314 -0.298 1.00 14.14 H new ATOM 0 HB2 LEU A 32 -4.614 7.975 0.787 1.00 54.41 H new ATOM 0 HB3 LEU A 32 -6.296 7.923 0.298 1.00 54.41 H new ATOM 0 HG LEU A 32 -3.969 8.489 -1.590 1.00 73.45 H new ATOM 0 HD11 LEU A 32 -4.295 6.211 -2.486 1.00 62.14 H new ATOM 0 HD12 LEU A 32 -3.781 6.205 -0.782 1.00 62.14 H new ATOM 0 HD13 LEU A 32 -5.481 5.885 -1.200 1.00 62.14 H new ATOM 0 HD21 LEU A 32 -5.607 8.124 -3.413 1.00 21.41 H new ATOM 0 HD22 LEU A 32 -6.903 7.970 -2.203 1.00 21.41 H new ATOM 0 HD23 LEU A 32 -6.036 9.513 -2.387 1.00 21.41 H new ATOM 553 N HIS A 33 -4.833 10.098 2.700 1.00 53.32 N ATOM 554 CA HIS A 33 -5.044 10.226 4.168 1.00 73.04 C ATOM 555 C HIS A 33 -5.436 11.667 4.555 1.00 60.52 C ATOM 556 O HIS A 33 -6.112 11.887 5.568 1.00 2.41 O ATOM 557 CB HIS A 33 -3.769 9.751 4.961 1.00 30.22 C ATOM 558 CG HIS A 33 -2.948 10.816 5.663 1.00 1.30 C ATOM 559 ND1 HIS A 33 -3.029 11.044 7.017 1.00 34.13 N ATOM 560 CD2 HIS A 33 -2.011 11.679 5.207 1.00 30.23 C ATOM 561 CE1 HIS A 33 -2.177 11.985 7.355 1.00 11.44 C ATOM 562 NE2 HIS A 33 -1.541 12.388 6.276 1.00 5.11 N ATOM 0 H HIS A 33 -3.867 9.896 2.441 1.00 53.32 H new ATOM 0 HA HIS A 33 -5.874 9.576 4.444 1.00 73.04 H new ATOM 0 HB2 HIS A 33 -4.088 9.024 5.708 1.00 30.22 H new ATOM 0 HB3 HIS A 33 -3.115 9.226 4.265 1.00 30.22 H new ATOM 0 HD1 HIS A 33 -3.654 10.557 7.660 1.00 34.13 H new ATOM 0 HD2 HIS A 33 -1.692 11.788 4.181 1.00 30.23 H new ATOM 0 HE1 HIS A 33 -2.024 12.365 8.354 1.00 11.44 H new ATOM 571 N GLU A 34 -4.987 12.637 3.734 1.00 61.33 N ATOM 572 CA GLU A 34 -5.206 14.068 3.990 1.00 73.31 C ATOM 573 C GLU A 34 -6.680 14.454 3.774 1.00 45.34 C ATOM 574 O GLU A 34 -7.168 15.421 4.378 1.00 61.43 O ATOM 575 CB GLU A 34 -4.230 14.926 3.129 1.00 41.25 C ATOM 576 CG GLU A 34 -4.432 14.939 1.592 1.00 2.03 C ATOM 577 CD GLU A 34 -5.487 15.949 1.083 1.00 74.22 C ATOM 578 OE1 GLU A 34 -5.381 17.150 1.415 1.00 61.15 O ATOM 579 OE2 GLU A 34 -6.399 15.554 0.328 1.00 20.01 O ATOM 0 H GLU A 34 -4.465 12.448 2.879 1.00 61.33 H new ATOM 0 HA GLU A 34 -4.985 14.276 5.037 1.00 73.31 H new ATOM 0 HB2 GLU A 34 -4.291 15.955 3.482 1.00 41.25 H new ATOM 0 HB3 GLU A 34 -3.216 14.580 3.329 1.00 41.25 H new ATOM 0 HG2 GLU A 34 -3.477 15.163 1.116 1.00 2.03 H new ATOM 0 HG3 GLU A 34 -4.722 13.939 1.270 1.00 2.03 H new ATOM 586 N ARG A 35 -7.386 13.693 2.914 1.00 41.10 N ATOM 587 CA ARG A 35 -8.826 13.909 2.650 1.00 74.23 C ATOM 588 C ARG A 35 -9.678 12.893 3.433 1.00 54.22 C ATOM 589 O ARG A 35 -10.894 13.067 3.566 1.00 15.41 O ATOM 590 CB ARG A 35 -9.114 13.853 1.126 1.00 1.24 C ATOM 591 CG ARG A 35 -8.767 12.522 0.433 1.00 42.02 C ATOM 592 CD ARG A 35 -8.710 12.632 -1.100 1.00 15.03 C ATOM 593 NE ARG A 35 -9.928 13.250 -1.651 1.00 44.51 N ATOM 594 CZ ARG A 35 -9.951 14.274 -2.522 1.00 15.03 C ATOM 595 NH1 ARG A 35 -8.819 14.812 -2.985 1.00 64.32 N ATOM 596 NH2 ARG A 35 -11.114 14.795 -2.875 1.00 73.14 N ATOM 0 H ARG A 35 -6.981 12.919 2.387 1.00 41.10 H new ATOM 0 HA ARG A 35 -9.103 14.904 2.999 1.00 74.23 H new ATOM 0 HB2 ARG A 35 -10.172 14.060 0.966 1.00 1.24 H new ATOM 0 HB3 ARG A 35 -8.555 14.652 0.639 1.00 1.24 H new ATOM 0 HG2 ARG A 35 -7.804 12.169 0.801 1.00 42.02 H new ATOM 0 HG3 ARG A 35 -9.508 11.772 0.709 1.00 42.02 H new ATOM 0 HD2 ARG A 35 -7.840 13.222 -1.390 1.00 15.03 H new ATOM 0 HD3 ARG A 35 -8.580 11.639 -1.531 1.00 15.03 H new ATOM 0 HE ARG A 35 -10.825 12.871 -1.348 1.00 44.51 H new ATOM 0 HH11 ARG A 35 -7.918 14.446 -2.678 1.00 64.32 H new ATOM 0 HH12 ARG A 35 -8.856 15.588 -3.645 1.00 64.32 H new ATOM 0 HH21 ARG A 35 -11.980 14.420 -2.487 1.00 73.14 H new ATOM 0 HH22 ARG A 35 -11.145 15.572 -3.535 1.00 73.14 H new ATOM 610 N GLY A 36 -9.017 11.831 3.935 1.00 73.43 N ATOM 611 CA GLY A 36 -9.648 10.862 4.835 1.00 64.43 C ATOM 612 C GLY A 36 -10.482 9.811 4.112 1.00 0.44 C ATOM 613 O GLY A 36 -11.480 9.323 4.654 1.00 53.35 O ATOM 0 H GLY A 36 -8.040 11.627 3.727 1.00 73.43 H new ATOM 0 HA2 GLY A 36 -8.874 10.362 5.417 1.00 64.43 H new ATOM 0 HA3 GLY A 36 -10.284 11.395 5.542 1.00 64.43 H new ATOM 617 N THR A 37 -10.091 9.487 2.865 1.00 34.02 N ATOM 618 CA THR A 37 -10.686 8.368 2.112 1.00 15.25 C ATOM 619 C THR A 37 -9.975 7.059 2.497 1.00 50.45 C ATOM 620 O THR A 37 -8.821 7.086 2.962 1.00 45.42 O ATOM 621 CB THR A 37 -10.612 8.592 0.563 1.00 1.25 C ATOM 622 OG1 THR A 37 -11.224 7.485 -0.134 1.00 54.42 O ATOM 623 CG2 THR A 37 -9.170 8.783 0.059 1.00 44.51 C ATOM 0 H THR A 37 -9.362 9.987 2.356 1.00 34.02 H new ATOM 0 HA THR A 37 -11.742 8.309 2.375 1.00 15.25 H new ATOM 0 HB THR A 37 -11.158 9.512 0.354 1.00 1.25 H new ATOM 0 HG1 THR A 37 -11.173 7.638 -1.101 1.00 54.42 H new ATOM 0 HG21 THR A 37 -9.179 8.934 -1.020 1.00 44.51 H new ATOM 0 HG22 THR A 37 -8.727 9.653 0.544 1.00 44.51 H new ATOM 0 HG23 THR A 37 -8.581 7.897 0.297 1.00 44.51 H new ATOM 631 N GLU A 38 -10.670 5.925 2.310 1.00 10.32 N ATOM 632 CA GLU A 38 -10.156 4.601 2.700 1.00 71.40 C ATOM 633 C GLU A 38 -9.058 4.139 1.731 1.00 34.10 C ATOM 634 O GLU A 38 -9.114 4.433 0.532 1.00 71.14 O ATOM 635 CB GLU A 38 -11.313 3.567 2.761 1.00 12.32 C ATOM 636 CG GLU A 38 -11.938 3.178 1.401 1.00 71.12 C ATOM 637 CD GLU A 38 -13.138 2.225 1.527 1.00 74.33 C ATOM 638 OE1 GLU A 38 -14.187 2.477 0.888 1.00 65.01 O ATOM 639 OE2 GLU A 38 -13.044 1.226 2.276 1.00 42.51 O ATOM 0 H GLU A 38 -11.598 5.899 1.887 1.00 10.32 H new ATOM 0 HA GLU A 38 -9.716 4.680 3.694 1.00 71.40 H new ATOM 0 HB2 GLU A 38 -10.942 2.662 3.241 1.00 12.32 H new ATOM 0 HB3 GLU A 38 -12.100 3.967 3.400 1.00 12.32 H new ATOM 0 HG2 GLU A 38 -12.256 4.083 0.884 1.00 71.12 H new ATOM 0 HG3 GLU A 38 -11.175 2.708 0.781 1.00 71.12 H new ATOM 646 N ILE A 39 -8.042 3.447 2.264 1.00 70.21 N ATOM 647 CA ILE A 39 -6.938 2.913 1.461 1.00 14.41 C ATOM 648 C ILE A 39 -6.943 1.376 1.557 1.00 72.52 C ATOM 649 O ILE A 39 -6.658 0.807 2.617 1.00 14.54 O ATOM 650 CB ILE A 39 -5.552 3.483 1.941 1.00 43.34 C ATOM 651 CG1 ILE A 39 -5.586 5.046 2.026 1.00 41.20 C ATOM 652 CG2 ILE A 39 -4.411 3.000 1.017 1.00 30.23 C ATOM 653 CD1 ILE A 39 -4.333 5.682 2.604 1.00 74.41 C ATOM 0 H ILE A 39 -7.964 3.243 3.260 1.00 70.21 H new ATOM 0 HA ILE A 39 -7.079 3.220 0.425 1.00 14.41 H new ATOM 0 HB ILE A 39 -5.358 3.101 2.943 1.00 43.34 H new ATOM 0 HG12 ILE A 39 -5.751 5.446 1.026 1.00 41.20 H new ATOM 0 HG13 ILE A 39 -6.441 5.344 2.633 1.00 41.20 H new ATOM 0 HG21 ILE A 39 -3.462 3.406 1.368 1.00 30.23 H new ATOM 0 HG22 ILE A 39 -4.367 1.911 1.032 1.00 30.23 H new ATOM 0 HG23 ILE A 39 -4.598 3.342 -0.001 1.00 30.23 H new ATOM 0 HD11 ILE A 39 -4.450 6.766 2.623 1.00 74.41 H new ATOM 0 HD12 ILE A 39 -4.174 5.317 3.619 1.00 74.41 H new ATOM 0 HD13 ILE A 39 -3.474 5.421 1.986 1.00 74.41 H new ATOM 665 N VAL A 40 -7.317 0.727 0.453 1.00 73.12 N ATOM 666 CA VAL A 40 -7.266 -0.729 0.302 1.00 11.42 C ATOM 667 C VAL A 40 -5.974 -1.093 -0.444 1.00 45.32 C ATOM 668 O VAL A 40 -5.854 -0.836 -1.640 1.00 5.11 O ATOM 669 CB VAL A 40 -8.516 -1.262 -0.493 1.00 1.01 C ATOM 670 CG1 VAL A 40 -8.467 -2.801 -0.655 1.00 51.35 C ATOM 671 CG2 VAL A 40 -9.840 -0.785 0.160 1.00 3.41 C ATOM 0 H VAL A 40 -7.670 1.206 -0.375 1.00 73.12 H new ATOM 0 HA VAL A 40 -7.280 -1.194 1.288 1.00 11.42 H new ATOM 0 HB VAL A 40 -8.482 -0.837 -1.496 1.00 1.01 H new ATOM 0 HG11 VAL A 40 -9.344 -3.137 -1.208 1.00 51.35 H new ATOM 0 HG12 VAL A 40 -7.565 -3.081 -1.200 1.00 51.35 H new ATOM 0 HG13 VAL A 40 -8.457 -3.270 0.329 1.00 51.35 H new ATOM 0 HG21 VAL A 40 -10.686 -1.168 -0.411 1.00 3.41 H new ATOM 0 HG22 VAL A 40 -9.895 -1.156 1.184 1.00 3.41 H new ATOM 0 HG23 VAL A 40 -9.871 0.305 0.166 1.00 3.41 H new ATOM 681 N VAL A 41 -5.001 -1.636 0.276 1.00 43.13 N ATOM 682 CA VAL A 41 -3.726 -2.090 -0.300 1.00 30.11 C ATOM 683 C VAL A 41 -3.847 -3.589 -0.619 1.00 44.02 C ATOM 684 O VAL A 41 -4.440 -4.327 0.166 1.00 60.51 O ATOM 685 CB VAL A 41 -2.540 -1.845 0.707 1.00 14.54 C ATOM 686 CG1 VAL A 41 -1.183 -2.252 0.096 1.00 74.13 C ATOM 687 CG2 VAL A 41 -2.525 -0.374 1.182 1.00 35.21 C ATOM 0 H VAL A 41 -5.067 -1.778 1.284 1.00 43.13 H new ATOM 0 HA VAL A 41 -3.514 -1.526 -1.208 1.00 30.11 H new ATOM 0 HB VAL A 41 -2.703 -2.481 1.577 1.00 14.54 H new ATOM 0 HG11 VAL A 41 -0.389 -2.069 0.820 1.00 74.13 H new ATOM 0 HG12 VAL A 41 -1.203 -3.311 -0.161 1.00 74.13 H new ATOM 0 HG13 VAL A 41 -0.998 -1.664 -0.803 1.00 74.13 H new ATOM 0 HG21 VAL A 41 -1.699 -0.224 1.877 1.00 35.21 H new ATOM 0 HG22 VAL A 41 -2.400 0.285 0.323 1.00 35.21 H new ATOM 0 HG23 VAL A 41 -3.466 -0.143 1.682 1.00 35.21 H new ATOM 697 N GLU A 42 -3.334 -4.028 -1.787 1.00 54.12 N ATOM 698 CA GLU A 42 -3.388 -5.442 -2.184 1.00 62.33 C ATOM 699 C GLU A 42 -2.063 -5.884 -2.841 1.00 71.35 C ATOM 700 O GLU A 42 -1.766 -5.505 -3.978 1.00 13.45 O ATOM 701 CB GLU A 42 -4.591 -5.680 -3.127 1.00 5.43 C ATOM 702 CG GLU A 42 -4.852 -7.162 -3.474 1.00 64.43 C ATOM 703 CD GLU A 42 -6.025 -7.392 -4.442 1.00 11.45 C ATOM 704 OE1 GLU A 42 -6.475 -8.546 -4.562 1.00 32.34 O ATOM 705 OE2 GLU A 42 -6.465 -6.441 -5.126 1.00 73.01 O ATOM 0 H GLU A 42 -2.879 -3.421 -2.468 1.00 54.12 H new ATOM 0 HA GLU A 42 -3.525 -6.051 -1.291 1.00 62.33 H new ATOM 0 HB2 GLU A 42 -5.487 -5.266 -2.664 1.00 5.43 H new ATOM 0 HB3 GLU A 42 -4.426 -5.127 -4.052 1.00 5.43 H new ATOM 0 HG2 GLU A 42 -3.948 -7.584 -3.912 1.00 64.43 H new ATOM 0 HG3 GLU A 42 -5.046 -7.710 -2.552 1.00 64.43 H new ATOM 712 N VAL A 43 -1.289 -6.701 -2.113 1.00 61.42 N ATOM 713 CA VAL A 43 0.013 -7.224 -2.555 1.00 4.50 C ATOM 714 C VAL A 43 -0.175 -8.577 -3.289 1.00 12.51 C ATOM 715 O VAL A 43 -0.429 -9.606 -2.657 1.00 32.11 O ATOM 716 CB VAL A 43 0.976 -7.401 -1.315 1.00 34.42 C ATOM 717 CG1 VAL A 43 2.364 -7.930 -1.735 1.00 45.41 C ATOM 718 CG2 VAL A 43 1.091 -6.089 -0.502 1.00 64.44 C ATOM 0 H VAL A 43 -1.555 -7.023 -1.183 1.00 61.42 H new ATOM 0 HA VAL A 43 0.462 -6.512 -3.248 1.00 4.50 H new ATOM 0 HB VAL A 43 0.531 -8.155 -0.665 1.00 34.42 H new ATOM 0 HG11 VAL A 43 2.995 -8.037 -0.853 1.00 45.41 H new ATOM 0 HG12 VAL A 43 2.252 -8.899 -2.221 1.00 45.41 H new ATOM 0 HG13 VAL A 43 2.827 -7.228 -2.428 1.00 45.41 H new ATOM 0 HG21 VAL A 43 1.760 -6.243 0.344 1.00 64.44 H new ATOM 0 HG22 VAL A 43 1.488 -5.299 -1.140 1.00 64.44 H new ATOM 0 HG23 VAL A 43 0.106 -5.799 -0.137 1.00 64.44 H new ATOM 728 N HIS A 44 -0.081 -8.550 -4.625 1.00 0.32 N ATOM 729 CA HIS A 44 -0.162 -9.752 -5.478 1.00 62.02 C ATOM 730 C HIS A 44 1.241 -10.356 -5.664 1.00 1.30 C ATOM 731 O HIS A 44 2.086 -9.741 -6.301 1.00 62.11 O ATOM 732 CB HIS A 44 -0.727 -9.396 -6.885 1.00 51.23 C ATOM 733 CG HIS A 44 -2.125 -8.843 -6.918 1.00 52.31 C ATOM 734 ND1 HIS A 44 -2.498 -7.774 -7.709 1.00 54.40 N ATOM 735 CD2 HIS A 44 -3.255 -9.266 -6.320 1.00 53.50 C ATOM 736 CE1 HIS A 44 -3.792 -7.573 -7.590 1.00 54.43 C ATOM 737 NE2 HIS A 44 -4.272 -8.464 -6.756 1.00 13.01 N ATOM 0 H HIS A 44 0.055 -7.688 -5.153 1.00 0.32 H new ATOM 0 HA HIS A 44 -0.825 -10.466 -4.988 1.00 62.02 H new ATOM 0 HB2 HIS A 44 -0.060 -8.669 -7.348 1.00 51.23 H new ATOM 0 HB3 HIS A 44 -0.699 -10.294 -7.503 1.00 51.23 H new ATOM 0 HD1 HIS A 44 -1.868 -7.226 -8.294 1.00 54.40 H new ATOM 0 HD2 HIS A 44 -3.342 -10.087 -5.624 1.00 53.50 H new ATOM 0 HE1 HIS A 44 -4.362 -6.806 -8.093 1.00 54.43 H new ATOM 746 N ILE A 45 1.498 -11.545 -5.101 1.00 43.33 N ATOM 747 CA ILE A 45 2.761 -12.286 -5.329 1.00 52.23 C ATOM 748 C ILE A 45 2.441 -13.642 -5.955 1.00 33.14 C ATOM 749 O ILE A 45 1.888 -14.507 -5.279 1.00 5.11 O ATOM 750 CB ILE A 45 3.597 -12.456 -4.001 1.00 22.52 C ATOM 751 CG1 ILE A 45 3.953 -11.062 -3.413 1.00 52.30 C ATOM 752 CG2 ILE A 45 4.879 -13.304 -4.234 1.00 60.11 C ATOM 753 CD1 ILE A 45 4.833 -11.087 -2.184 1.00 35.12 C ATOM 0 H ILE A 45 0.846 -12.023 -4.479 1.00 43.33 H new ATOM 0 HA ILE A 45 3.382 -11.707 -6.013 1.00 52.23 H new ATOM 0 HB ILE A 45 2.981 -12.995 -3.281 1.00 22.52 H new ATOM 0 HG12 ILE A 45 4.452 -10.476 -4.185 1.00 52.30 H new ATOM 0 HG13 ILE A 45 3.027 -10.542 -3.167 1.00 52.30 H new ATOM 0 HG21 ILE A 45 5.428 -13.399 -3.297 1.00 60.11 H new ATOM 0 HG22 ILE A 45 4.600 -14.295 -4.593 1.00 60.11 H new ATOM 0 HG23 ILE A 45 5.510 -12.814 -4.976 1.00 60.11 H new ATOM 0 HD11 ILE A 45 5.023 -10.066 -1.852 1.00 35.12 H new ATOM 0 HD12 ILE A 45 4.332 -11.640 -1.389 1.00 35.12 H new ATOM 0 HD13 ILE A 45 5.779 -11.573 -2.424 1.00 35.12 H new ATOM 765 N ASN A 46 2.767 -13.776 -7.265 1.00 70.41 N ATOM 766 CA ASN A 46 2.513 -14.978 -8.098 1.00 75.42 C ATOM 767 C ASN A 46 1.002 -15.245 -8.250 1.00 32.32 C ATOM 768 O ASN A 46 0.425 -15.015 -9.314 1.00 75.33 O ATOM 769 CB ASN A 46 3.272 -16.236 -7.571 1.00 40.41 C ATOM 770 CG ASN A 46 4.794 -16.146 -7.738 1.00 45.24 C ATOM 771 OD1 ASN A 46 5.348 -16.577 -8.751 1.00 72.11 O ATOM 772 ND2 ASN A 46 5.474 -15.593 -6.748 1.00 42.34 N ATOM 0 H ASN A 46 3.227 -13.029 -7.786 1.00 70.41 H new ATOM 0 HA ASN A 46 2.913 -14.768 -9.090 1.00 75.42 H new ATOM 0 HB2 ASN A 46 3.038 -16.376 -6.516 1.00 40.41 H new ATOM 0 HB3 ASN A 46 2.908 -17.118 -8.098 1.00 40.41 H new ATOM 0 HD21 ASN A 46 6.489 -15.513 -6.809 1.00 42.34 H new ATOM 0 HD22 ASN A 46 4.984 -15.246 -5.924 1.00 42.34 H new ATOM 779 N GLY A 47 0.380 -15.699 -7.165 1.00 64.35 N ATOM 780 CA GLY A 47 -1.053 -16.029 -7.137 1.00 22.52 C ATOM 781 C GLY A 47 -1.711 -15.726 -5.794 1.00 31.04 C ATOM 782 O GLY A 47 -2.935 -15.852 -5.670 1.00 21.05 O ATOM 0 H GLY A 47 0.853 -15.851 -6.274 1.00 64.35 H new ATOM 0 HA2 GLY A 47 -1.564 -15.469 -7.920 1.00 22.52 H new ATOM 0 HA3 GLY A 47 -1.181 -17.087 -7.367 1.00 22.52 H new ATOM 786 N GLU A 48 -0.899 -15.356 -4.782 1.00 20.40 N ATOM 787 CA GLU A 48 -1.392 -14.879 -3.479 1.00 44.33 C ATOM 788 C GLU A 48 -1.761 -13.390 -3.572 1.00 40.12 C ATOM 789 O GLU A 48 -1.089 -12.624 -4.266 1.00 35.23 O ATOM 790 CB GLU A 48 -0.313 -15.074 -2.374 1.00 75.11 C ATOM 791 CG GLU A 48 0.070 -16.538 -2.085 1.00 51.13 C ATOM 792 CD GLU A 48 1.074 -16.678 -0.926 1.00 42.35 C ATOM 793 OE1 GLU A 48 2.299 -16.750 -1.181 1.00 61.32 O ATOM 794 OE2 GLU A 48 0.636 -16.718 0.246 1.00 30.04 O ATOM 0 H GLU A 48 0.119 -15.381 -4.848 1.00 20.40 H new ATOM 0 HA GLU A 48 -2.275 -15.461 -3.215 1.00 44.33 H new ATOM 0 HB2 GLU A 48 0.586 -14.531 -2.666 1.00 75.11 H new ATOM 0 HB3 GLU A 48 -0.674 -14.620 -1.451 1.00 75.11 H new ATOM 0 HG2 GLU A 48 -0.831 -17.104 -1.849 1.00 51.13 H new ATOM 0 HG3 GLU A 48 0.498 -16.981 -2.985 1.00 51.13 H new ATOM 801 N ARG A 49 -2.830 -12.995 -2.875 1.00 24.43 N ATOM 802 CA ARG A 49 -3.235 -11.586 -2.743 1.00 2.05 C ATOM 803 C ARG A 49 -3.409 -11.246 -1.253 1.00 3.51 C ATOM 804 O ARG A 49 -4.223 -11.860 -0.553 1.00 14.44 O ATOM 805 CB ARG A 49 -4.524 -11.309 -3.567 1.00 51.10 C ATOM 806 CG ARG A 49 -5.728 -12.206 -3.226 1.00 64.43 C ATOM 807 CD ARG A 49 -6.913 -12.038 -4.192 1.00 34.34 C ATOM 808 NE ARG A 49 -8.023 -12.942 -3.842 1.00 73.31 N ATOM 809 CZ ARG A 49 -8.209 -14.177 -4.347 1.00 2.45 C ATOM 810 NH1 ARG A 49 -7.369 -14.687 -5.249 1.00 52.43 N ATOM 811 NH2 ARG A 49 -9.232 -14.907 -3.929 1.00 71.55 N ATOM 0 H ARG A 49 -3.444 -13.644 -2.383 1.00 24.43 H new ATOM 0 HA ARG A 49 -2.459 -10.937 -3.149 1.00 2.05 H new ATOM 0 HB2 ARG A 49 -4.814 -10.269 -3.419 1.00 51.10 H new ATOM 0 HB3 ARG A 49 -4.292 -11.428 -4.625 1.00 51.10 H new ATOM 0 HG2 ARG A 49 -5.408 -13.248 -3.234 1.00 64.43 H new ATOM 0 HG3 ARG A 49 -6.061 -11.983 -2.213 1.00 64.43 H new ATOM 0 HD2 ARG A 49 -7.261 -11.005 -4.168 1.00 34.34 H new ATOM 0 HD3 ARG A 49 -6.585 -12.240 -5.212 1.00 34.34 H new ATOM 0 HE ARG A 49 -8.705 -12.606 -3.163 1.00 73.31 H new ATOM 0 HH11 ARG A 49 -6.569 -14.140 -5.568 1.00 52.43 H new ATOM 0 HH12 ARG A 49 -7.526 -15.624 -5.620 1.00 52.43 H new ATOM 0 HH21 ARG A 49 -9.873 -14.533 -3.229 1.00 71.55 H new ATOM 0 HH22 ARG A 49 -9.379 -15.843 -4.307 1.00 71.55 H new ATOM 825 N ASP A 50 -2.583 -10.314 -0.766 1.00 52.40 N ATOM 826 CA ASP A 50 -2.659 -9.785 0.605 1.00 50.13 C ATOM 827 C ASP A 50 -3.430 -8.465 0.563 1.00 5.53 C ATOM 828 O ASP A 50 -2.916 -7.478 0.069 1.00 13.24 O ATOM 829 CB ASP A 50 -1.229 -9.543 1.145 1.00 3.54 C ATOM 830 CG ASP A 50 -1.194 -8.824 2.506 1.00 61.13 C ATOM 831 OD1 ASP A 50 -0.600 -7.723 2.593 1.00 51.12 O ATOM 832 OD2 ASP A 50 -1.725 -9.372 3.498 1.00 44.41 O ATOM 0 H ASP A 50 -1.832 -9.899 -1.318 1.00 52.40 H new ATOM 0 HA ASP A 50 -3.165 -10.494 1.260 1.00 50.13 H new ATOM 0 HB2 ASP A 50 -0.718 -10.501 1.237 1.00 3.54 H new ATOM 0 HB3 ASP A 50 -0.671 -8.953 0.418 1.00 3.54 H new ATOM 837 N GLU A 51 -4.637 -8.444 1.116 1.00 25.22 N ATOM 838 CA GLU A 51 -5.530 -7.277 1.033 1.00 13.03 C ATOM 839 C GLU A 51 -5.793 -6.726 2.437 1.00 0.52 C ATOM 840 O GLU A 51 -6.372 -7.412 3.287 1.00 55.10 O ATOM 841 CB GLU A 51 -6.856 -7.644 0.319 1.00 45.23 C ATOM 842 CG GLU A 51 -7.831 -6.459 0.159 1.00 51.02 C ATOM 843 CD GLU A 51 -9.152 -6.854 -0.509 1.00 23.10 C ATOM 844 OE1 GLU A 51 -9.284 -6.712 -1.740 1.00 24.14 O ATOM 845 OE2 GLU A 51 -10.074 -7.310 0.204 1.00 72.10 O ATOM 0 H GLU A 51 -5.030 -9.229 1.635 1.00 25.22 H new ATOM 0 HA GLU A 51 -5.044 -6.502 0.440 1.00 13.03 H new ATOM 0 HB2 GLU A 51 -6.626 -8.048 -0.667 1.00 45.23 H new ATOM 0 HB3 GLU A 51 -7.352 -8.436 0.880 1.00 45.23 H new ATOM 0 HG2 GLU A 51 -8.040 -6.033 1.140 1.00 51.02 H new ATOM 0 HG3 GLU A 51 -7.351 -5.679 -0.432 1.00 51.02 H new ATOM 852 N ILE A 52 -5.327 -5.495 2.674 1.00 42.53 N ATOM 853 CA ILE A 52 -5.456 -4.791 3.955 1.00 70.25 C ATOM 854 C ILE A 52 -6.205 -3.471 3.715 1.00 22.14 C ATOM 855 O ILE A 52 -5.771 -2.653 2.899 1.00 65.44 O ATOM 856 CB ILE A 52 -4.039 -4.504 4.572 1.00 21.25 C ATOM 857 CG1 ILE A 52 -3.200 -5.823 4.633 1.00 33.00 C ATOM 858 CG2 ILE A 52 -4.158 -3.839 5.970 1.00 24.34 C ATOM 859 CD1 ILE A 52 -1.743 -5.623 4.949 1.00 70.24 C ATOM 0 H ILE A 52 -4.839 -4.948 1.965 1.00 42.53 H new ATOM 0 HA ILE A 52 -6.011 -5.412 4.659 1.00 70.25 H new ATOM 0 HB ILE A 52 -3.517 -3.798 3.926 1.00 21.25 H new ATOM 0 HG12 ILE A 52 -3.635 -6.480 5.386 1.00 33.00 H new ATOM 0 HG13 ILE A 52 -3.284 -6.336 3.675 1.00 33.00 H new ATOM 0 HG21 ILE A 52 -3.161 -3.653 6.370 1.00 24.34 H new ATOM 0 HG22 ILE A 52 -4.695 -2.895 5.879 1.00 24.34 H new ATOM 0 HG23 ILE A 52 -4.702 -4.502 6.643 1.00 24.34 H new ATOM 0 HD11 ILE A 52 -1.239 -6.589 4.971 1.00 70.24 H new ATOM 0 HD12 ILE A 52 -1.288 -4.994 4.184 1.00 70.24 H new ATOM 0 HD13 ILE A 52 -1.644 -5.140 5.921 1.00 70.24 H new ATOM 871 N ARG A 53 -7.324 -3.276 4.419 1.00 65.14 N ATOM 872 CA ARG A 53 -8.190 -2.101 4.251 1.00 34.21 C ATOM 873 C ARG A 53 -8.141 -1.242 5.523 1.00 2.22 C ATOM 874 O ARG A 53 -8.492 -1.715 6.612 1.00 23.33 O ATOM 875 CB ARG A 53 -9.642 -2.561 3.942 1.00 41.10 C ATOM 876 CG ARG A 53 -9.763 -3.493 2.721 1.00 24.35 C ATOM 877 CD ARG A 53 -11.208 -3.905 2.405 1.00 54.12 C ATOM 878 NE ARG A 53 -11.288 -4.710 1.172 1.00 50.24 N ATOM 879 CZ ARG A 53 -12.267 -4.645 0.253 1.00 14.51 C ATOM 880 NH1 ARG A 53 -13.293 -3.801 0.395 1.00 32.53 N ATOM 881 NH2 ARG A 53 -12.209 -5.438 -0.809 1.00 25.10 N ATOM 0 H ARG A 53 -7.658 -3.931 5.126 1.00 65.14 H new ATOM 0 HA ARG A 53 -7.838 -1.498 3.414 1.00 34.21 H new ATOM 0 HB2 ARG A 53 -10.043 -3.073 4.817 1.00 41.10 H new ATOM 0 HB3 ARG A 53 -10.263 -1.680 3.776 1.00 41.10 H new ATOM 0 HG2 ARG A 53 -9.337 -2.995 1.850 1.00 24.35 H new ATOM 0 HG3 ARG A 53 -9.169 -4.389 2.898 1.00 24.35 H new ATOM 0 HD2 ARG A 53 -11.614 -4.476 3.240 1.00 54.12 H new ATOM 0 HD3 ARG A 53 -11.826 -3.013 2.298 1.00 54.12 H new ATOM 0 HE ARG A 53 -10.534 -5.375 1.001 1.00 50.24 H new ATOM 0 HH11 ARG A 53 -13.343 -3.192 1.211 1.00 32.53 H new ATOM 0 HH12 ARG A 53 -14.026 -3.766 -0.313 1.00 32.53 H new ATOM 0 HH21 ARG A 53 -11.429 -6.086 -0.920 1.00 25.10 H new ATOM 0 HH22 ARG A 53 -12.945 -5.400 -1.515 1.00 25.10 H new ATOM 895 N VAL A 54 -7.670 0.007 5.381 1.00 61.24 N ATOM 896 CA VAL A 54 -7.630 1.001 6.474 1.00 30.41 C ATOM 897 C VAL A 54 -8.581 2.166 6.167 1.00 71.00 C ATOM 898 O VAL A 54 -8.826 2.493 4.997 1.00 11.13 O ATOM 899 CB VAL A 54 -6.178 1.554 6.721 1.00 33.11 C ATOM 900 CG1 VAL A 54 -5.241 0.451 7.260 1.00 15.12 C ATOM 901 CG2 VAL A 54 -5.601 2.214 5.449 1.00 63.35 C ATOM 0 H VAL A 54 -7.302 0.362 4.498 1.00 61.24 H new ATOM 0 HA VAL A 54 -7.951 0.492 7.383 1.00 30.41 H new ATOM 0 HB VAL A 54 -6.247 2.327 7.486 1.00 33.11 H new ATOM 0 HG11 VAL A 54 -4.246 0.865 7.420 1.00 15.12 H new ATOM 0 HG12 VAL A 54 -5.632 0.071 8.204 1.00 15.12 H new ATOM 0 HG13 VAL A 54 -5.183 -0.363 6.537 1.00 15.12 H new ATOM 0 HG21 VAL A 54 -4.597 2.585 5.655 1.00 63.35 H new ATOM 0 HG22 VAL A 54 -5.558 1.479 4.645 1.00 63.35 H new ATOM 0 HG23 VAL A 54 -6.240 3.044 5.148 1.00 63.35 H new ATOM 911 N ARG A 55 -9.121 2.782 7.232 1.00 33.21 N ATOM 912 CA ARG A 55 -10.045 3.924 7.136 1.00 45.41 C ATOM 913 C ARG A 55 -9.642 5.012 8.153 1.00 55.11 C ATOM 914 O ARG A 55 -9.670 4.767 9.366 1.00 14.12 O ATOM 915 CB ARG A 55 -11.513 3.456 7.365 1.00 12.21 C ATOM 916 CG ARG A 55 -12.081 2.567 6.235 1.00 32.32 C ATOM 917 CD ARG A 55 -13.578 2.261 6.378 1.00 14.13 C ATOM 918 NE ARG A 55 -14.129 1.683 5.137 1.00 64.31 N ATOM 919 CZ ARG A 55 -15.432 1.487 4.874 1.00 21.52 C ATOM 920 NH1 ARG A 55 -16.378 1.809 5.762 1.00 62.51 N ATOM 921 NH2 ARG A 55 -15.782 0.991 3.694 1.00 11.51 N ATOM 0 H ARG A 55 -8.926 2.498 8.192 1.00 33.21 H new ATOM 0 HA ARG A 55 -9.983 4.350 6.135 1.00 45.41 H new ATOM 0 HB2 ARG A 55 -11.564 2.906 8.305 1.00 12.21 H new ATOM 0 HB3 ARG A 55 -12.149 4.334 7.475 1.00 12.21 H new ATOM 0 HG2 ARG A 55 -11.911 3.060 5.278 1.00 32.32 H new ATOM 0 HG3 ARG A 55 -11.529 1.628 6.213 1.00 32.32 H new ATOM 0 HD2 ARG A 55 -13.732 1.567 7.204 1.00 14.13 H new ATOM 0 HD3 ARG A 55 -14.116 3.176 6.626 1.00 14.13 H new ATOM 0 HE ARG A 55 -13.462 1.408 4.416 1.00 64.31 H new ATOM 0 HH11 ARG A 55 -16.117 2.213 6.662 1.00 62.51 H new ATOM 0 HH12 ARG A 55 -17.361 1.651 5.540 1.00 62.51 H new ATOM 0 HH21 ARG A 55 -15.066 0.765 3.003 1.00 11.51 H new ATOM 0 HH22 ARG A 55 -16.767 0.836 3.478 1.00 11.51 H new ATOM 935 N ASN A 56 -9.260 6.199 7.626 1.00 43.33 N ATOM 936 CA ASN A 56 -8.807 7.370 8.424 1.00 14.15 C ATOM 937 C ASN A 56 -7.571 7.014 9.287 1.00 21.13 C ATOM 938 O ASN A 56 -7.689 6.666 10.472 1.00 35.21 O ATOM 939 CB ASN A 56 -9.955 7.983 9.295 1.00 75.22 C ATOM 940 CG ASN A 56 -11.046 8.734 8.504 1.00 41.40 C ATOM 941 OD1 ASN A 56 -11.613 9.714 8.993 1.00 62.43 O ATOM 942 ND2 ASN A 56 -11.368 8.280 7.304 1.00 11.31 N ATOM 0 H ASN A 56 -9.257 6.376 6.621 1.00 43.33 H new ATOM 0 HA ASN A 56 -8.512 8.141 7.713 1.00 14.15 H new ATOM 0 HB2 ASN A 56 -10.427 7.181 9.863 1.00 75.22 H new ATOM 0 HB3 ASN A 56 -9.515 8.670 10.018 1.00 75.22 H new ATOM 0 HD21 ASN A 56 -12.099 8.742 6.763 1.00 11.31 H new ATOM 0 HD22 ASN A 56 -10.885 7.468 6.920 1.00 11.31 H new ATOM 949 N ILE A 57 -6.385 7.072 8.659 1.00 74.21 N ATOM 950 CA ILE A 57 -5.090 6.767 9.309 1.00 15.35 C ATOM 951 C ILE A 57 -4.119 7.964 9.193 1.00 31.32 C ATOM 952 O ILE A 57 -4.334 8.861 8.368 1.00 51.24 O ATOM 953 CB ILE A 57 -4.442 5.435 8.733 1.00 64.13 C ATOM 954 CG1 ILE A 57 -4.630 5.279 7.177 1.00 62.22 C ATOM 955 CG2 ILE A 57 -4.994 4.187 9.471 1.00 62.22 C ATOM 956 CD1 ILE A 57 -3.904 6.287 6.305 1.00 33.42 C ATOM 0 H ILE A 57 -6.292 7.334 7.677 1.00 74.21 H new ATOM 0 HA ILE A 57 -5.285 6.595 10.368 1.00 15.35 H new ATOM 0 HB ILE A 57 -3.370 5.514 8.915 1.00 64.13 H new ATOM 0 HG12 ILE A 57 -4.300 4.280 6.892 1.00 62.22 H new ATOM 0 HG13 ILE A 57 -5.695 5.339 6.954 1.00 62.22 H new ATOM 0 HG21 ILE A 57 -4.535 3.288 9.059 1.00 62.22 H new ATOM 0 HG22 ILE A 57 -4.760 4.259 10.533 1.00 62.22 H new ATOM 0 HG23 ILE A 57 -6.075 4.135 9.340 1.00 62.22 H new ATOM 0 HD11 ILE A 57 -4.111 6.076 5.256 1.00 33.42 H new ATOM 0 HD12 ILE A 57 -4.248 7.292 6.548 1.00 33.42 H new ATOM 0 HD13 ILE A 57 -2.831 6.217 6.484 1.00 33.42 H new ATOM 968 N SER A 58 -3.061 7.971 10.022 1.00 23.42 N ATOM 969 CA SER A 58 -2.042 9.047 10.048 1.00 52.21 C ATOM 970 C SER A 58 -0.743 8.609 9.318 1.00 72.12 C ATOM 971 O SER A 58 -0.684 7.505 8.766 1.00 3.40 O ATOM 972 CB SER A 58 -1.760 9.421 11.520 1.00 34.14 C ATOM 973 OG SER A 58 -2.965 9.747 12.206 1.00 12.33 O ATOM 0 H SER A 58 -2.883 7.229 10.698 1.00 23.42 H new ATOM 0 HA SER A 58 -2.420 9.921 9.517 1.00 52.21 H new ATOM 0 HB2 SER A 58 -1.266 8.589 12.022 1.00 34.14 H new ATOM 0 HB3 SER A 58 -1.075 10.268 11.558 1.00 34.14 H new ATOM 0 HG SER A 58 -2.760 9.978 13.136 1.00 12.33 H new ATOM 979 N LYS A 59 0.295 9.482 9.347 1.00 33.25 N ATOM 980 CA LYS A 59 1.541 9.313 8.547 1.00 54.23 C ATOM 981 C LYS A 59 2.328 8.010 8.880 1.00 51.20 C ATOM 982 O LYS A 59 2.857 7.370 7.971 1.00 64.43 O ATOM 983 CB LYS A 59 2.477 10.566 8.664 1.00 3.13 C ATOM 984 CG LYS A 59 3.219 10.769 10.015 1.00 74.35 C ATOM 985 CD LYS A 59 2.290 11.009 11.229 1.00 43.00 C ATOM 986 CE LYS A 59 3.067 11.360 12.508 1.00 61.13 C ATOM 987 NZ LYS A 59 3.805 12.651 12.392 1.00 12.42 N ATOM 0 H LYS A 59 0.295 10.323 9.924 1.00 33.25 H new ATOM 0 HA LYS A 59 1.208 9.218 7.513 1.00 54.23 H new ATOM 0 HB2 LYS A 59 3.224 10.506 7.873 1.00 3.13 H new ATOM 0 HB3 LYS A 59 1.878 11.456 8.469 1.00 3.13 H new ATOM 0 HG2 LYS A 59 3.834 9.891 10.212 1.00 74.35 H new ATOM 0 HG3 LYS A 59 3.896 11.618 9.919 1.00 74.35 H new ATOM 0 HD2 LYS A 59 1.596 11.817 10.997 1.00 43.00 H new ATOM 0 HD3 LYS A 59 1.691 10.116 11.406 1.00 43.00 H new ATOM 0 HE2 LYS A 59 2.373 11.416 13.347 1.00 61.13 H new ATOM 0 HE3 LYS A 59 3.773 10.560 12.731 1.00 61.13 H new ATOM 0 HZ1 LYS A 59 4.157 12.935 13.329 1.00 12.42 H new ATOM 0 HZ2 LYS A 59 4.608 12.535 11.741 1.00 12.42 H new ATOM 0 HZ3 LYS A 59 3.166 13.385 12.025 1.00 12.42 H new ATOM 1001 N GLU A 60 2.403 7.621 10.172 1.00 1.24 N ATOM 1002 CA GLU A 60 3.136 6.393 10.590 1.00 3.04 C ATOM 1003 C GLU A 60 2.222 5.168 10.464 1.00 12.55 C ATOM 1004 O GLU A 60 2.697 4.057 10.244 1.00 50.11 O ATOM 1005 CB GLU A 60 3.700 6.501 12.041 1.00 10.41 C ATOM 1006 CG GLU A 60 2.658 6.412 13.186 1.00 4.42 C ATOM 1007 CD GLU A 60 1.816 7.681 13.377 1.00 22.11 C ATOM 1008 OE1 GLU A 60 0.794 7.842 12.679 1.00 54.55 O ATOM 1009 OE2 GLU A 60 2.172 8.521 14.230 1.00 24.22 O ATOM 0 H GLU A 60 1.971 8.131 10.942 1.00 1.24 H new ATOM 0 HA GLU A 60 3.991 6.282 9.923 1.00 3.04 H new ATOM 0 HB2 GLU A 60 4.435 5.709 12.183 1.00 10.41 H new ATOM 0 HB3 GLU A 60 4.231 7.448 12.133 1.00 10.41 H new ATOM 0 HG2 GLU A 60 1.990 5.574 12.989 1.00 4.42 H new ATOM 0 HG3 GLU A 60 3.178 6.192 14.118 1.00 4.42 H new ATOM 1016 N GLU A 61 0.909 5.400 10.616 1.00 52.23 N ATOM 1017 CA GLU A 61 -0.121 4.359 10.483 1.00 5.21 C ATOM 1018 C GLU A 61 -0.128 3.743 9.072 1.00 43.05 C ATOM 1019 O GLU A 61 -0.202 2.519 8.915 1.00 35.51 O ATOM 1020 CB GLU A 61 -1.503 4.938 10.844 1.00 24.00 C ATOM 1021 CG GLU A 61 -1.649 5.386 12.310 1.00 51.51 C ATOM 1022 CD GLU A 61 -1.619 4.215 13.309 1.00 12.34 C ATOM 1023 OE1 GLU A 61 -0.523 3.847 13.793 1.00 23.22 O ATOM 1024 OE2 GLU A 61 -2.692 3.653 13.608 1.00 52.23 O ATOM 0 H GLU A 61 0.530 6.321 10.836 1.00 52.23 H new ATOM 0 HA GLU A 61 0.115 3.555 11.180 1.00 5.21 H new ATOM 0 HB2 GLU A 61 -1.705 5.791 10.196 1.00 24.00 H new ATOM 0 HB3 GLU A 61 -2.264 4.187 10.630 1.00 24.00 H new ATOM 0 HG2 GLU A 61 -0.846 6.082 12.552 1.00 51.51 H new ATOM 0 HG3 GLU A 61 -2.587 5.929 12.425 1.00 51.51 H new ATOM 1031 N LEU A 62 -0.013 4.594 8.048 1.00 32.30 N ATOM 1032 CA LEU A 62 0.087 4.130 6.657 1.00 15.11 C ATOM 1033 C LEU A 62 1.489 3.544 6.388 1.00 23.33 C ATOM 1034 O LEU A 62 1.649 2.696 5.516 1.00 42.53 O ATOM 1035 CB LEU A 62 -0.336 5.259 5.668 1.00 31.41 C ATOM 1036 CG LEU A 62 0.423 6.629 5.749 1.00 54.44 C ATOM 1037 CD1 LEU A 62 1.762 6.594 4.993 1.00 61.42 C ATOM 1038 CD2 LEU A 62 -0.464 7.802 5.258 1.00 51.41 C ATOM 0 H LEU A 62 0.013 5.608 8.154 1.00 32.30 H new ATOM 0 HA LEU A 62 -0.616 3.315 6.487 1.00 15.11 H new ATOM 0 HB2 LEU A 62 -0.224 4.874 4.654 1.00 31.41 H new ATOM 0 HB3 LEU A 62 -1.397 5.455 5.819 1.00 31.41 H new ATOM 0 HG LEU A 62 0.650 6.800 6.801 1.00 54.44 H new ATOM 0 HD11 LEU A 62 2.252 7.564 5.076 1.00 61.42 H new ATOM 0 HD12 LEU A 62 2.403 5.825 5.424 1.00 61.42 H new ATOM 0 HD13 LEU A 62 1.581 6.368 3.942 1.00 61.42 H new ATOM 0 HD21 LEU A 62 0.095 8.735 5.329 1.00 51.41 H new ATOM 0 HD22 LEU A 62 -0.754 7.630 4.221 1.00 51.41 H new ATOM 0 HD23 LEU A 62 -1.358 7.867 5.878 1.00 51.41 H new ATOM 1050 N LYS A 63 2.504 3.962 7.186 1.00 32.13 N ATOM 1051 CA LYS A 63 3.834 3.312 7.161 1.00 64.34 C ATOM 1052 C LYS A 63 3.756 1.889 7.728 1.00 50.25 C ATOM 1053 O LYS A 63 4.631 1.071 7.440 1.00 35.43 O ATOM 1054 CB LYS A 63 4.939 4.119 7.893 1.00 72.25 C ATOM 1055 CG LYS A 63 5.315 5.456 7.228 1.00 41.34 C ATOM 1056 CD LYS A 63 6.633 6.035 7.790 1.00 14.12 C ATOM 1057 CE LYS A 63 6.974 7.406 7.195 1.00 52.12 C ATOM 1058 NZ LYS A 63 8.400 7.760 7.416 1.00 41.14 N ATOM 0 H LYS A 63 2.427 4.736 7.846 1.00 32.13 H new ATOM 0 HA LYS A 63 4.124 3.274 6.111 1.00 64.34 H new ATOM 0 HB2 LYS A 63 4.608 4.318 8.912 1.00 72.25 H new ATOM 0 HB3 LYS A 63 5.834 3.501 7.963 1.00 72.25 H new ATOM 0 HG2 LYS A 63 5.413 5.310 6.152 1.00 41.34 H new ATOM 0 HG3 LYS A 63 4.510 6.175 7.380 1.00 41.34 H new ATOM 0 HD2 LYS A 63 6.555 6.122 8.874 1.00 14.12 H new ATOM 0 HD3 LYS A 63 7.448 5.341 7.584 1.00 14.12 H new ATOM 0 HE2 LYS A 63 6.761 7.402 6.126 1.00 52.12 H new ATOM 0 HE3 LYS A 63 6.336 8.167 7.644 1.00 52.12 H new ATOM 0 HZ1 LYS A 63 8.594 8.693 7.000 1.00 41.14 H new ATOM 0 HZ2 LYS A 63 8.597 7.788 8.437 1.00 41.14 H new ATOM 0 HZ3 LYS A 63 9.009 7.047 6.966 1.00 41.14 H new ATOM 1072 N LYS A 64 2.703 1.587 8.519 1.00 60.23 N ATOM 1073 CA LYS A 64 2.472 0.217 8.996 1.00 22.33 C ATOM 1074 C LYS A 64 2.022 -0.656 7.806 1.00 22.14 C ATOM 1075 O LYS A 64 2.344 -1.842 7.760 1.00 22.04 O ATOM 1076 CB LYS A 64 1.440 0.178 10.156 1.00 45.02 C ATOM 1077 CG LYS A 64 1.720 1.177 11.310 1.00 12.55 C ATOM 1078 CD LYS A 64 3.109 1.016 11.978 1.00 4.32 C ATOM 1079 CE LYS A 64 3.223 -0.240 12.862 1.00 63.41 C ATOM 1080 NZ LYS A 64 2.309 -0.197 14.044 1.00 63.13 N ATOM 0 H LYS A 64 2.011 2.267 8.834 1.00 60.23 H new ATOM 0 HA LYS A 64 3.402 -0.181 9.402 1.00 22.33 H new ATOM 0 HB2 LYS A 64 0.450 0.383 9.749 1.00 45.02 H new ATOM 0 HB3 LYS A 64 1.414 -0.831 10.566 1.00 45.02 H new ATOM 0 HG2 LYS A 64 1.633 2.192 10.924 1.00 12.55 H new ATOM 0 HG3 LYS A 64 0.949 1.058 12.071 1.00 12.55 H new ATOM 0 HD2 LYS A 64 3.874 0.976 11.203 1.00 4.32 H new ATOM 0 HD3 LYS A 64 3.316 1.898 12.584 1.00 4.32 H new ATOM 0 HE2 LYS A 64 2.996 -1.122 12.264 1.00 63.41 H new ATOM 0 HE3 LYS A 64 4.252 -0.345 13.207 1.00 63.41 H new ATOM 0 HZ1 LYS A 64 2.531 -0.986 14.684 1.00 63.13 H new ATOM 0 HZ2 LYS A 64 2.436 0.704 14.548 1.00 63.13 H new ATOM 0 HZ3 LYS A 64 1.323 -0.279 13.724 1.00 63.13 H new ATOM 1094 N LEU A 65 1.333 -0.016 6.813 1.00 3.32 N ATOM 1095 CA LEU A 65 0.938 -0.678 5.547 1.00 2.44 C ATOM 1096 C LEU A 65 2.196 -1.028 4.753 1.00 51.34 C ATOM 1097 O LEU A 65 2.326 -2.137 4.239 1.00 75.41 O ATOM 1098 CB LEU A 65 0.025 0.241 4.681 1.00 33.42 C ATOM 1099 CG LEU A 65 -1.394 0.543 5.238 1.00 54.14 C ATOM 1100 CD1 LEU A 65 -2.083 1.644 4.394 1.00 11.21 C ATOM 1101 CD2 LEU A 65 -2.236 -0.750 5.289 1.00 43.12 C ATOM 0 H LEU A 65 1.043 0.960 6.874 1.00 3.32 H new ATOM 0 HA LEU A 65 0.376 -1.579 5.794 1.00 2.44 H new ATOM 0 HB2 LEU A 65 0.541 1.190 4.532 1.00 33.42 H new ATOM 0 HB3 LEU A 65 -0.086 -0.219 3.699 1.00 33.42 H new ATOM 0 HG LEU A 65 -1.304 0.919 6.257 1.00 54.14 H new ATOM 0 HD11 LEU A 65 -3.076 1.844 4.797 1.00 11.21 H new ATOM 0 HD12 LEU A 65 -1.487 2.556 4.429 1.00 11.21 H new ATOM 0 HD13 LEU A 65 -2.172 1.308 3.361 1.00 11.21 H new ATOM 0 HD21 LEU A 65 -3.227 -0.523 5.681 1.00 43.12 H new ATOM 0 HD22 LEU A 65 -2.329 -1.164 4.285 1.00 43.12 H new ATOM 0 HD23 LEU A 65 -1.747 -1.477 5.937 1.00 43.12 H new ATOM 1113 N LEU A 66 3.123 -0.050 4.698 1.00 71.44 N ATOM 1114 CA LEU A 66 4.420 -0.186 4.012 1.00 34.22 C ATOM 1115 C LEU A 66 5.227 -1.361 4.584 1.00 32.15 C ATOM 1116 O LEU A 66 5.881 -2.099 3.843 1.00 62.44 O ATOM 1117 CB LEU A 66 5.239 1.128 4.140 1.00 74.23 C ATOM 1118 CG LEU A 66 4.582 2.415 3.557 1.00 1.34 C ATOM 1119 CD1 LEU A 66 5.502 3.643 3.753 1.00 32.24 C ATOM 1120 CD2 LEU A 66 4.200 2.218 2.078 1.00 41.44 C ATOM 0 H LEU A 66 2.989 0.863 5.133 1.00 71.44 H new ATOM 0 HA LEU A 66 4.223 -0.384 2.958 1.00 34.22 H new ATOM 0 HB2 LEU A 66 5.447 1.299 5.196 1.00 74.23 H new ATOM 0 HB3 LEU A 66 6.199 0.981 3.646 1.00 74.23 H new ATOM 0 HG LEU A 66 3.661 2.607 4.108 1.00 1.34 H new ATOM 0 HD11 LEU A 66 5.021 4.528 3.338 1.00 32.24 H new ATOM 0 HD12 LEU A 66 5.685 3.795 4.817 1.00 32.24 H new ATOM 0 HD13 LEU A 66 6.450 3.472 3.243 1.00 32.24 H new ATOM 0 HD21 LEU A 66 3.743 3.131 1.695 1.00 41.44 H new ATOM 0 HD22 LEU A 66 5.094 1.989 1.499 1.00 41.44 H new ATOM 0 HD23 LEU A 66 3.491 1.394 1.992 1.00 41.44 H new ATOM 1132 N GLU A 67 5.157 -1.524 5.915 1.00 74.40 N ATOM 1133 CA GLU A 67 5.833 -2.620 6.620 1.00 44.15 C ATOM 1134 C GLU A 67 5.154 -3.963 6.330 1.00 34.23 C ATOM 1135 O GLU A 67 5.828 -4.979 6.255 1.00 44.40 O ATOM 1136 CB GLU A 67 5.896 -2.349 8.138 1.00 41.03 C ATOM 1137 CG GLU A 67 6.735 -1.112 8.504 1.00 52.32 C ATOM 1138 CD GLU A 67 6.825 -0.863 10.015 1.00 54.31 C ATOM 1139 OE1 GLU A 67 5.883 -0.276 10.580 1.00 64.53 O ATOM 1140 OE2 GLU A 67 7.828 -1.272 10.644 1.00 13.12 O ATOM 0 H GLU A 67 4.632 -0.901 6.529 1.00 74.40 H new ATOM 0 HA GLU A 67 6.856 -2.674 6.247 1.00 44.15 H new ATOM 0 HB2 GLU A 67 4.883 -2.217 8.518 1.00 41.03 H new ATOM 0 HB3 GLU A 67 6.313 -3.223 8.639 1.00 41.03 H new ATOM 0 HG2 GLU A 67 7.741 -1.233 8.102 1.00 52.32 H new ATOM 0 HG3 GLU A 67 6.303 -0.234 8.024 1.00 52.32 H new ATOM 1147 N ARG A 68 3.820 -3.962 6.151 1.00 60.40 N ATOM 1148 CA ARG A 68 3.086 -5.190 5.775 1.00 4.13 C ATOM 1149 C ARG A 68 3.469 -5.646 4.349 1.00 62.52 C ATOM 1150 O ARG A 68 3.575 -6.852 4.083 1.00 31.02 O ATOM 1151 CB ARG A 68 1.551 -4.999 5.877 1.00 74.05 C ATOM 1152 CG ARG A 68 0.981 -4.585 7.258 1.00 3.13 C ATOM 1153 CD ARG A 68 1.407 -5.483 8.437 1.00 1.34 C ATOM 1154 NE ARG A 68 2.750 -5.139 8.956 1.00 42.53 N ATOM 1155 CZ ARG A 68 3.669 -6.017 9.405 1.00 21.12 C ATOM 1156 NH1 ARG A 68 3.423 -7.325 9.414 1.00 54.43 N ATOM 1157 NH2 ARG A 68 4.832 -5.570 9.861 1.00 20.24 N ATOM 0 H ARG A 68 3.232 -3.136 6.259 1.00 60.40 H new ATOM 0 HA ARG A 68 3.376 -5.965 6.485 1.00 4.13 H new ATOM 0 HB2 ARG A 68 1.255 -4.244 5.149 1.00 74.05 H new ATOM 0 HB3 ARG A 68 1.073 -5.933 5.580 1.00 74.05 H new ATOM 0 HG2 ARG A 68 1.291 -3.562 7.470 1.00 3.13 H new ATOM 0 HG3 ARG A 68 -0.107 -4.582 7.198 1.00 3.13 H new ATOM 0 HD2 ARG A 68 0.676 -5.392 9.241 1.00 1.34 H new ATOM 0 HD3 ARG A 68 1.401 -6.525 8.117 1.00 1.34 H new ATOM 0 HE ARG A 68 3.002 -4.151 8.976 1.00 42.53 H new ATOM 0 HH11 ARG A 68 2.527 -7.678 9.077 1.00 54.43 H new ATOM 0 HH12 ARG A 68 4.130 -7.975 9.757 1.00 54.43 H new ATOM 0 HH21 ARG A 68 5.025 -4.569 9.870 1.00 20.24 H new ATOM 0 HH22 ARG A 68 5.533 -6.228 10.203 1.00 20.24 H new ATOM 1171 N ILE A 69 3.667 -4.661 3.449 1.00 75.13 N ATOM 1172 CA ILE A 69 4.105 -4.898 2.057 1.00 30.40 C ATOM 1173 C ILE A 69 5.556 -5.416 2.046 1.00 53.25 C ATOM 1174 O ILE A 69 5.867 -6.401 1.355 1.00 64.13 O ATOM 1175 CB ILE A 69 4.004 -3.577 1.190 1.00 22.10 C ATOM 1176 CG1 ILE A 69 2.546 -3.009 1.202 1.00 51.41 C ATOM 1177 CG2 ILE A 69 4.499 -3.803 -0.268 1.00 14.31 C ATOM 1178 CD1 ILE A 69 2.397 -1.632 0.569 1.00 41.35 C ATOM 0 H ILE A 69 3.527 -3.675 3.668 1.00 75.13 H new ATOM 0 HA ILE A 69 3.445 -5.646 1.618 1.00 30.40 H new ATOM 0 HB ILE A 69 4.663 -2.839 1.647 1.00 22.10 H new ATOM 0 HG12 ILE A 69 1.894 -3.708 0.678 1.00 51.41 H new ATOM 0 HG13 ILE A 69 2.198 -2.960 2.234 1.00 51.41 H new ATOM 0 HG21 ILE A 69 4.413 -2.873 -0.830 1.00 14.31 H new ATOM 0 HG22 ILE A 69 5.541 -4.123 -0.253 1.00 14.31 H new ATOM 0 HG23 ILE A 69 3.890 -4.572 -0.744 1.00 14.31 H new ATOM 0 HD11 ILE A 69 1.355 -1.318 0.622 1.00 41.35 H new ATOM 0 HD12 ILE A 69 3.019 -0.916 1.105 1.00 41.35 H new ATOM 0 HD13 ILE A 69 2.710 -1.675 -0.474 1.00 41.35 H new ATOM 1190 N ARG A 70 6.431 -4.760 2.845 1.00 71.13 N ATOM 1191 CA ARG A 70 7.873 -5.065 2.856 1.00 34.10 C ATOM 1192 C ARG A 70 8.102 -6.509 3.328 1.00 74.43 C ATOM 1193 O ARG A 70 8.993 -7.191 2.816 1.00 61.01 O ATOM 1194 CB ARG A 70 8.693 -4.065 3.732 1.00 22.15 C ATOM 1195 CG ARG A 70 8.781 -4.430 5.225 1.00 32.03 C ATOM 1196 CD ARG A 70 9.579 -3.460 6.092 1.00 20.10 C ATOM 1197 NE ARG A 70 9.552 -3.938 7.485 1.00 62.53 N ATOM 1198 CZ ARG A 70 9.729 -3.196 8.580 1.00 11.43 C ATOM 1199 NH1 ARG A 70 9.970 -1.887 8.497 1.00 33.52 N ATOM 1200 NH2 ARG A 70 9.638 -3.775 9.767 1.00 22.52 N ATOM 0 H ARG A 70 6.159 -4.017 3.489 1.00 71.13 H new ATOM 0 HA ARG A 70 8.235 -4.955 1.834 1.00 34.10 H new ATOM 0 HB2 ARG A 70 9.704 -3.997 3.330 1.00 22.15 H new ATOM 0 HB3 ARG A 70 8.247 -3.075 3.641 1.00 22.15 H new ATOM 0 HG2 ARG A 70 7.769 -4.499 5.625 1.00 32.03 H new ATOM 0 HG3 ARG A 70 9.227 -5.421 5.313 1.00 32.03 H new ATOM 0 HD2 ARG A 70 10.607 -3.393 5.736 1.00 20.10 H new ATOM 0 HD3 ARG A 70 9.153 -2.459 6.028 1.00 20.10 H new ATOM 0 HE ARG A 70 9.381 -4.934 7.627 1.00 62.53 H new ATOM 0 HH11 ARG A 70 10.022 -1.435 7.584 1.00 33.52 H new ATOM 0 HH12 ARG A 70 10.102 -1.338 9.346 1.00 33.52 H new ATOM 0 HH21 ARG A 70 9.436 -4.772 9.834 1.00 22.52 H new ATOM 0 HH22 ARG A 70 9.770 -3.224 10.615 1.00 22.52 H new ATOM 1214 N GLU A 71 7.250 -6.975 4.290 1.00 15.24 N ATOM 1215 CA GLU A 71 7.303 -8.356 4.787 1.00 71.11 C ATOM 1216 C GLU A 71 7.185 -9.323 3.620 1.00 32.14 C ATOM 1217 O GLU A 71 7.974 -10.250 3.504 1.00 44.14 O ATOM 1218 CB GLU A 71 6.183 -8.673 5.824 1.00 0.24 C ATOM 1219 CG GLU A 71 6.265 -7.884 7.139 1.00 15.22 C ATOM 1220 CD GLU A 71 7.669 -7.851 7.775 1.00 65.52 C ATOM 1221 OE1 GLU A 71 8.251 -6.746 7.919 1.00 61.43 O ATOM 1222 OE2 GLU A 71 8.181 -8.926 8.157 1.00 43.54 O ATOM 0 H GLU A 71 6.526 -6.404 4.726 1.00 15.24 H new ATOM 0 HA GLU A 71 8.261 -8.472 5.294 1.00 71.11 H new ATOM 0 HB2 GLU A 71 5.216 -8.477 5.361 1.00 0.24 H new ATOM 0 HB3 GLU A 71 6.215 -9.738 6.055 1.00 0.24 H new ATOM 0 HG2 GLU A 71 5.938 -6.860 6.955 1.00 15.22 H new ATOM 0 HG3 GLU A 71 5.566 -8.318 7.854 1.00 15.22 H new ATOM 1229 N LYS A 72 6.233 -9.020 2.718 1.00 31.00 N ATOM 1230 CA LYS A 72 5.869 -9.904 1.613 1.00 30.14 C ATOM 1231 C LYS A 72 7.012 -9.967 0.583 1.00 44.45 C ATOM 1232 O LYS A 72 7.518 -11.053 0.258 1.00 22.53 O ATOM 1233 CB LYS A 72 4.556 -9.423 0.926 1.00 11.52 C ATOM 1234 CG LYS A 72 3.332 -9.241 1.848 1.00 73.34 C ATOM 1235 CD LYS A 72 3.137 -10.411 2.828 1.00 11.31 C ATOM 1236 CE LYS A 72 1.810 -10.327 3.595 1.00 41.53 C ATOM 1237 NZ LYS A 72 1.524 -8.958 4.106 1.00 72.41 N ATOM 0 H LYS A 72 5.698 -8.152 2.742 1.00 31.00 H new ATOM 0 HA LYS A 72 5.699 -10.902 2.017 1.00 30.14 H new ATOM 0 HB2 LYS A 72 4.756 -8.473 0.431 1.00 11.52 H new ATOM 0 HB3 LYS A 72 4.295 -10.139 0.147 1.00 11.52 H new ATOM 0 HG2 LYS A 72 3.445 -8.316 2.413 1.00 73.34 H new ATOM 0 HG3 LYS A 72 2.436 -9.134 1.236 1.00 73.34 H new ATOM 0 HD2 LYS A 72 3.175 -11.351 2.277 1.00 11.31 H new ATOM 0 HD3 LYS A 72 3.963 -10.425 3.539 1.00 11.31 H new ATOM 0 HE2 LYS A 72 0.997 -10.643 2.941 1.00 41.53 H new ATOM 0 HE3 LYS A 72 1.835 -11.024 4.432 1.00 41.53 H new ATOM 0 HZ1 LYS A 72 0.922 -9.022 4.951 1.00 72.41 H new ATOM 0 HZ2 LYS A 72 2.417 -8.486 4.352 1.00 72.41 H new ATOM 0 HZ3 LYS A 72 1.033 -8.409 3.372 1.00 72.41 H new ATOM 1251 N ILE A 73 7.442 -8.782 0.118 1.00 30.45 N ATOM 1252 CA ILE A 73 8.431 -8.658 -0.974 1.00 75.42 C ATOM 1253 C ILE A 73 9.830 -9.175 -0.548 1.00 11.43 C ATOM 1254 O ILE A 73 10.628 -9.578 -1.397 1.00 73.12 O ATOM 1255 CB ILE A 73 8.531 -7.172 -1.501 1.00 10.13 C ATOM 1256 CG1 ILE A 73 9.168 -6.228 -0.437 1.00 34.14 C ATOM 1257 CG2 ILE A 73 7.137 -6.646 -1.923 1.00 25.11 C ATOM 1258 CD1 ILE A 73 9.320 -4.777 -0.866 1.00 61.43 C ATOM 0 H ILE A 73 7.118 -7.886 0.484 1.00 30.45 H new ATOM 0 HA ILE A 73 8.075 -9.287 -1.790 1.00 75.42 H new ATOM 0 HB ILE A 73 9.183 -7.178 -2.375 1.00 10.13 H new ATOM 0 HG12 ILE A 73 8.558 -6.261 0.466 1.00 34.14 H new ATOM 0 HG13 ILE A 73 10.151 -6.617 -0.172 1.00 34.14 H new ATOM 0 HG21 ILE A 73 7.228 -5.621 -2.283 1.00 25.11 H new ATOM 0 HG22 ILE A 73 6.736 -7.275 -2.718 1.00 25.11 H new ATOM 0 HG23 ILE A 73 6.464 -6.671 -1.066 1.00 25.11 H new ATOM 0 HD11 ILE A 73 9.772 -4.204 -0.057 1.00 61.43 H new ATOM 0 HD12 ILE A 73 9.957 -4.723 -1.749 1.00 61.43 H new ATOM 0 HD13 ILE A 73 8.340 -4.362 -1.101 1.00 61.43 H new ATOM 1270 N GLU A 74 10.117 -9.143 0.770 1.00 71.24 N ATOM 1271 CA GLU A 74 11.408 -9.594 1.328 1.00 15.31 C ATOM 1272 C GLU A 74 11.420 -11.100 1.653 1.00 55.12 C ATOM 1273 O GLU A 74 12.413 -11.781 1.358 1.00 53.44 O ATOM 1274 CB GLU A 74 11.798 -8.736 2.555 1.00 71.00 C ATOM 1275 CG GLU A 74 12.102 -7.262 2.193 1.00 25.15 C ATOM 1276 CD GLU A 74 12.531 -6.420 3.397 1.00 75.01 C ATOM 1277 OE1 GLU A 74 13.749 -6.315 3.661 1.00 64.01 O ATOM 1278 OE2 GLU A 74 11.663 -5.844 4.082 1.00 33.43 O ATOM 0 H GLU A 74 9.462 -8.805 1.475 1.00 71.24 H new ATOM 0 HA GLU A 74 12.165 -9.449 0.557 1.00 15.31 H new ATOM 0 HB2 GLU A 74 10.988 -8.765 3.284 1.00 71.00 H new ATOM 0 HB3 GLU A 74 12.674 -9.174 3.034 1.00 71.00 H new ATOM 0 HG2 GLU A 74 12.890 -7.235 1.440 1.00 25.15 H new ATOM 0 HG3 GLU A 74 11.215 -6.815 1.743 1.00 25.15 H new ATOM 1285 N ARG A 75 10.330 -11.619 2.262 1.00 74.13 N ATOM 1286 CA ARG A 75 10.228 -13.063 2.618 1.00 2.20 C ATOM 1287 C ARG A 75 10.269 -13.933 1.346 1.00 23.22 C ATOM 1288 O ARG A 75 10.909 -14.993 1.331 1.00 53.54 O ATOM 1289 CB ARG A 75 8.947 -13.382 3.451 1.00 13.40 C ATOM 1290 CG ARG A 75 7.612 -13.125 2.721 1.00 65.21 C ATOM 1291 CD ARG A 75 6.370 -13.478 3.549 1.00 73.41 C ATOM 1292 NE ARG A 75 6.231 -14.928 3.743 1.00 23.10 N ATOM 1293 CZ ARG A 75 5.135 -15.551 4.203 1.00 4.14 C ATOM 1294 NH1 ARG A 75 4.037 -14.865 4.538 1.00 0.41 N ATOM 1295 NH2 ARG A 75 5.144 -16.871 4.297 1.00 41.21 N ATOM 0 H ARG A 75 9.511 -11.068 2.518 1.00 74.13 H new ATOM 0 HA ARG A 75 11.087 -13.300 3.246 1.00 2.20 H new ATOM 0 HB2 ARG A 75 8.981 -14.428 3.756 1.00 13.40 H new ATOM 0 HB3 ARG A 75 8.966 -12.784 4.362 1.00 13.40 H new ATOM 0 HG2 ARG A 75 7.561 -12.074 2.438 1.00 65.21 H new ATOM 0 HG3 ARG A 75 7.597 -13.704 1.798 1.00 65.21 H new ATOM 0 HD2 ARG A 75 6.430 -12.987 4.520 1.00 73.41 H new ATOM 0 HD3 ARG A 75 5.481 -13.092 3.051 1.00 73.41 H new ATOM 0 HE ARG A 75 7.035 -15.510 3.508 1.00 23.10 H new ATOM 0 HH11 ARG A 75 4.022 -13.849 4.446 1.00 0.41 H new ATOM 0 HH12 ARG A 75 3.214 -15.358 4.886 1.00 0.41 H new ATOM 0 HH21 ARG A 75 5.974 -17.396 4.022 1.00 41.21 H new ATOM 0 HH22 ARG A 75 4.321 -17.363 4.644 1.00 41.21 H new ATOM 1309 N GLU A 76 9.598 -13.457 0.278 1.00 40.11 N ATOM 1310 CA GLU A 76 9.577 -14.141 -1.019 1.00 22.41 C ATOM 1311 C GLU A 76 10.847 -13.788 -1.809 1.00 61.32 C ATOM 1312 O GLU A 76 11.612 -14.669 -2.202 1.00 23.11 O ATOM 1313 CB GLU A 76 8.297 -13.755 -1.813 1.00 24.34 C ATOM 1314 CG GLU A 76 6.974 -13.930 -1.034 1.00 43.13 C ATOM 1315 CD GLU A 76 6.702 -15.370 -0.554 1.00 10.03 C ATOM 1316 OE1 GLU A 76 6.986 -15.691 0.625 1.00 75.21 O ATOM 1317 OE2 GLU A 76 6.199 -16.186 -1.351 1.00 23.34 O ATOM 0 H GLU A 76 9.059 -12.591 0.296 1.00 40.11 H new ATOM 0 HA GLU A 76 9.557 -15.219 -0.859 1.00 22.41 H new ATOM 0 HB2 GLU A 76 8.382 -12.715 -2.128 1.00 24.34 H new ATOM 0 HB3 GLU A 76 8.252 -14.360 -2.719 1.00 24.34 H new ATOM 0 HG2 GLU A 76 6.986 -13.268 -0.168 1.00 43.13 H new ATOM 0 HG3 GLU A 76 6.148 -13.610 -1.669 1.00 43.13 H new ATOM 1324 N GLY A 77 11.054 -12.473 -2.025 1.00 1.31 N ATOM 1325 CA GLY A 77 12.209 -11.969 -2.779 1.00 21.12 C ATOM 1326 C GLY A 77 12.076 -12.164 -4.290 1.00 61.33 C ATOM 1327 O GLY A 77 13.045 -11.963 -5.033 1.00 12.04 O ATOM 0 H GLY A 77 10.430 -11.742 -1.684 1.00 1.31 H new ATOM 0 HA2 GLY A 77 12.338 -10.908 -2.566 1.00 21.12 H new ATOM 0 HA3 GLY A 77 13.110 -12.475 -2.432 1.00 21.12 H new ATOM 1331 N SER A 78 10.864 -12.555 -4.742 1.00 52.32 N ATOM 1332 CA SER A 78 10.569 -12.836 -6.157 1.00 60.11 C ATOM 1333 C SER A 78 10.171 -11.553 -6.914 1.00 71.13 C ATOM 1334 O SER A 78 9.478 -10.680 -6.365 1.00 10.23 O ATOM 1335 CB SER A 78 9.441 -13.899 -6.259 1.00 31.52 C ATOM 1336 OG SER A 78 8.301 -13.539 -5.488 1.00 15.32 O ATOM 0 H SER A 78 10.060 -12.684 -4.128 1.00 52.32 H new ATOM 0 HA SER A 78 11.473 -13.227 -6.623 1.00 60.11 H new ATOM 0 HB2 SER A 78 9.150 -14.020 -7.302 1.00 31.52 H new ATOM 0 HB3 SER A 78 9.819 -14.863 -5.919 1.00 31.52 H new ATOM 0 HG SER A 78 7.613 -14.231 -5.579 1.00 15.32 H new ATOM 1342 N SER A 79 10.613 -11.451 -8.184 1.00 4.25 N ATOM 1343 CA SER A 79 10.173 -10.401 -9.116 1.00 13.22 C ATOM 1344 C SER A 79 8.863 -10.830 -9.802 1.00 45.40 C ATOM 1345 O SER A 79 8.791 -11.006 -11.026 1.00 11.15 O ATOM 1346 CB SER A 79 11.290 -10.096 -10.139 1.00 60.12 C ATOM 1347 OG SER A 79 12.432 -9.567 -9.495 1.00 52.52 O ATOM 0 H SER A 79 11.288 -12.099 -8.590 1.00 4.25 H new ATOM 0 HA SER A 79 9.975 -9.481 -8.567 1.00 13.22 H new ATOM 0 HB2 SER A 79 11.558 -11.007 -10.673 1.00 60.12 H new ATOM 0 HB3 SER A 79 10.925 -9.387 -10.882 1.00 60.12 H new ATOM 0 HG SER A 79 12.219 -8.686 -9.122 1.00 52.52 H new ATOM 1353 N GLU A 80 7.846 -11.032 -8.963 1.00 1.04 N ATOM 1354 CA GLU A 80 6.492 -11.393 -9.383 1.00 0.31 C ATOM 1355 C GLU A 80 5.503 -10.787 -8.365 1.00 2.54 C ATOM 1356 O GLU A 80 4.407 -11.309 -8.127 1.00 74.33 O ATOM 1357 CB GLU A 80 6.370 -12.946 -9.515 1.00 51.02 C ATOM 1358 CG GLU A 80 5.096 -13.453 -10.229 1.00 2.24 C ATOM 1359 CD GLU A 80 4.890 -12.841 -11.624 1.00 25.12 C ATOM 1360 OE1 GLU A 80 5.653 -13.194 -12.550 1.00 62.13 O ATOM 1361 OE2 GLU A 80 3.967 -12.014 -11.803 1.00 4.00 O ATOM 0 H GLU A 80 7.943 -10.947 -7.951 1.00 1.04 H new ATOM 0 HA GLU A 80 6.256 -10.989 -10.367 1.00 0.31 H new ATOM 0 HB2 GLU A 80 7.241 -13.317 -10.055 1.00 51.02 H new ATOM 0 HB3 GLU A 80 6.404 -13.382 -8.517 1.00 51.02 H new ATOM 0 HG2 GLU A 80 5.148 -14.538 -10.321 1.00 2.24 H new ATOM 0 HG3 GLU A 80 4.228 -13.227 -9.610 1.00 2.24 H new ATOM 1368 N VAL A 81 5.914 -9.648 -7.768 1.00 20.01 N ATOM 1369 CA VAL A 81 5.073 -8.871 -6.854 1.00 31.30 C ATOM 1370 C VAL A 81 4.560 -7.595 -7.554 1.00 43.40 C ATOM 1371 O VAL A 81 5.330 -6.695 -7.927 1.00 61.30 O ATOM 1372 CB VAL A 81 5.772 -8.532 -5.483 1.00 72.33 C ATOM 1373 CG1 VAL A 81 7.181 -7.930 -5.662 1.00 63.01 C ATOM 1374 CG2 VAL A 81 4.851 -7.627 -4.609 1.00 62.52 C ATOM 0 H VAL A 81 6.841 -9.247 -7.911 1.00 20.01 H new ATOM 0 HA VAL A 81 4.224 -9.505 -6.597 1.00 31.30 H new ATOM 0 HB VAL A 81 5.923 -9.473 -4.953 1.00 72.33 H new ATOM 0 HG11 VAL A 81 7.613 -7.717 -4.684 1.00 63.01 H new ATOM 0 HG12 VAL A 81 7.816 -8.640 -6.192 1.00 63.01 H new ATOM 0 HG13 VAL A 81 7.112 -7.007 -6.237 1.00 63.01 H new ATOM 0 HG21 VAL A 81 5.350 -7.403 -3.666 1.00 62.52 H new ATOM 0 HG22 VAL A 81 4.644 -6.698 -5.140 1.00 62.52 H new ATOM 0 HG23 VAL A 81 3.914 -8.147 -4.409 1.00 62.52 H new ATOM 1384 N GLU A 82 3.246 -7.582 -7.766 1.00 20.24 N ATOM 1385 CA GLU A 82 2.475 -6.431 -8.229 1.00 23.41 C ATOM 1386 C GLU A 82 1.653 -5.905 -7.044 1.00 71.23 C ATOM 1387 O GLU A 82 0.855 -6.648 -6.486 1.00 73.35 O ATOM 1388 CB GLU A 82 1.532 -6.885 -9.379 1.00 24.22 C ATOM 1389 CG GLU A 82 0.575 -5.805 -9.917 1.00 60.32 C ATOM 1390 CD GLU A 82 -0.514 -6.371 -10.844 1.00 13.25 C ATOM 1391 OE1 GLU A 82 -0.330 -6.383 -12.083 1.00 72.14 O ATOM 1392 OE2 GLU A 82 -1.572 -6.802 -10.330 1.00 30.14 O ATOM 0 H GLU A 82 2.666 -8.407 -7.614 1.00 20.24 H new ATOM 0 HA GLU A 82 3.130 -5.644 -8.602 1.00 23.41 H new ATOM 0 HB2 GLU A 82 2.144 -7.248 -10.205 1.00 24.22 H new ATOM 0 HB3 GLU A 82 0.939 -7.729 -9.027 1.00 24.22 H new ATOM 0 HG2 GLU A 82 0.101 -5.297 -9.077 1.00 60.32 H new ATOM 0 HG3 GLU A 82 1.151 -5.055 -10.459 1.00 60.32 H new ATOM 1399 N VAL A 83 1.827 -4.637 -6.653 1.00 62.13 N ATOM 1400 CA VAL A 83 1.016 -4.037 -5.583 1.00 33.44 C ATOM 1401 C VAL A 83 -0.133 -3.275 -6.265 1.00 4.31 C ATOM 1402 O VAL A 83 0.018 -2.788 -7.385 1.00 21.00 O ATOM 1403 CB VAL A 83 1.871 -3.084 -4.651 1.00 73.35 C ATOM 1404 CG1 VAL A 83 1.011 -2.461 -3.520 1.00 73.40 C ATOM 1405 CG2 VAL A 83 3.098 -3.834 -4.066 1.00 2.45 C ATOM 0 H VAL A 83 2.519 -4.007 -7.059 1.00 62.13 H new ATOM 0 HA VAL A 83 0.627 -4.815 -4.926 1.00 33.44 H new ATOM 0 HB VAL A 83 2.235 -2.265 -5.271 1.00 73.35 H new ATOM 0 HG11 VAL A 83 1.635 -1.814 -2.903 1.00 73.40 H new ATOM 0 HG12 VAL A 83 0.203 -1.876 -3.958 1.00 73.40 H new ATOM 0 HG13 VAL A 83 0.591 -3.255 -2.903 1.00 73.40 H new ATOM 0 HG21 VAL A 83 3.669 -3.157 -3.430 1.00 2.45 H new ATOM 0 HG22 VAL A 83 2.757 -4.685 -3.477 1.00 2.45 H new ATOM 0 HG23 VAL A 83 3.731 -4.187 -4.880 1.00 2.45 H new ATOM 1415 N ASN A 84 -1.305 -3.267 -5.642 1.00 54.22 N ATOM 1416 CA ASN A 84 -2.497 -2.570 -6.146 1.00 54.51 C ATOM 1417 C ASN A 84 -3.039 -1.715 -5.014 1.00 22.51 C ATOM 1418 O ASN A 84 -3.528 -2.256 -4.015 1.00 52.54 O ATOM 1419 CB ASN A 84 -3.599 -3.576 -6.629 1.00 63.12 C ATOM 1420 CG ASN A 84 -3.455 -4.114 -8.067 1.00 15.03 C ATOM 1421 OD1 ASN A 84 -4.460 -4.322 -8.752 1.00 31.30 O ATOM 1422 ND2 ASN A 84 -2.245 -4.403 -8.525 1.00 23.42 N ATOM 0 H ASN A 84 -1.464 -3.750 -4.758 1.00 54.22 H new ATOM 0 HA ASN A 84 -2.223 -1.960 -7.007 1.00 54.51 H new ATOM 0 HB2 ASN A 84 -3.609 -4.425 -5.946 1.00 63.12 H new ATOM 0 HB3 ASN A 84 -4.569 -3.087 -6.543 1.00 63.12 H new ATOM 0 HD21 ASN A 84 -2.135 -4.804 -9.457 1.00 23.42 H new ATOM 0 HD22 ASN A 84 -1.424 -4.225 -7.946 1.00 23.42 H new ATOM 1429 N VAL A 85 -2.918 -0.391 -5.132 1.00 11.42 N ATOM 1430 CA VAL A 85 -3.591 0.531 -4.197 1.00 12.24 C ATOM 1431 C VAL A 85 -4.967 0.908 -4.781 1.00 51.51 C ATOM 1432 O VAL A 85 -5.074 1.267 -5.956 1.00 11.44 O ATOM 1433 CB VAL A 85 -2.736 1.820 -3.899 1.00 50.05 C ATOM 1434 CG1 VAL A 85 -3.471 2.778 -2.922 1.00 43.54 C ATOM 1435 CG2 VAL A 85 -1.327 1.432 -3.371 1.00 51.21 C ATOM 0 H VAL A 85 -2.367 0.069 -5.857 1.00 11.42 H new ATOM 0 HA VAL A 85 -3.714 0.022 -3.241 1.00 12.24 H new ATOM 0 HB VAL A 85 -2.605 2.362 -4.836 1.00 50.05 H new ATOM 0 HG11 VAL A 85 -2.852 3.656 -2.739 1.00 43.54 H new ATOM 0 HG12 VAL A 85 -4.420 3.088 -3.361 1.00 43.54 H new ATOM 0 HG13 VAL A 85 -3.658 2.263 -1.980 1.00 43.54 H new ATOM 0 HG21 VAL A 85 -0.752 2.336 -3.171 1.00 51.21 H new ATOM 0 HG22 VAL A 85 -1.429 0.856 -2.451 1.00 51.21 H new ATOM 0 HG23 VAL A 85 -0.811 0.831 -4.120 1.00 51.21 H new ATOM 1445 N HIS A 86 -6.008 0.781 -3.950 1.00 1.23 N ATOM 1446 CA HIS A 86 -7.407 1.044 -4.319 1.00 24.42 C ATOM 1447 C HIS A 86 -7.926 2.093 -3.330 1.00 72.51 C ATOM 1448 O HIS A 86 -7.782 1.896 -2.124 1.00 11.33 O ATOM 1449 CB HIS A 86 -8.288 -0.245 -4.209 1.00 12.04 C ATOM 1450 CG HIS A 86 -7.682 -1.528 -4.745 1.00 33.45 C ATOM 1451 ND1 HIS A 86 -8.028 -2.084 -5.956 1.00 32.43 N ATOM 1452 CD2 HIS A 86 -6.789 -2.394 -4.192 1.00 41.14 C ATOM 1453 CE1 HIS A 86 -7.379 -3.222 -6.121 1.00 73.34 C ATOM 1454 NE2 HIS A 86 -6.624 -3.431 -5.070 1.00 41.21 N ATOM 0 H HIS A 86 -5.900 0.486 -2.980 1.00 1.23 H new ATOM 0 HA HIS A 86 -7.460 1.384 -5.353 1.00 24.42 H new ATOM 0 HB2 HIS A 86 -8.538 -0.399 -3.159 1.00 12.04 H new ATOM 0 HB3 HIS A 86 -9.225 -0.064 -4.736 1.00 12.04 H new ATOM 0 HD2 HIS A 86 -6.300 -2.283 -3.235 1.00 41.14 H new ATOM 0 HE1 HIS A 86 -7.457 -3.873 -6.979 1.00 73.34 H new ATOM 0 HE2 HIS A 86 -6.013 -4.236 -4.929 1.00 41.21 H new ATOM 1463 N SER A 87 -8.503 3.199 -3.818 1.00 30.53 N ATOM 1464 CA SER A 87 -8.996 4.277 -2.940 1.00 40.53 C ATOM 1465 C SER A 87 -10.048 5.131 -3.657 1.00 73.43 C ATOM 1466 O SER A 87 -9.781 5.654 -4.746 1.00 71.10 O ATOM 1467 CB SER A 87 -7.823 5.162 -2.469 1.00 32.04 C ATOM 1468 OG SER A 87 -8.261 6.162 -1.562 1.00 64.15 O ATOM 0 H SER A 87 -8.641 3.374 -4.813 1.00 30.53 H new ATOM 0 HA SER A 87 -9.465 3.818 -2.070 1.00 40.53 H new ATOM 0 HB2 SER A 87 -7.066 4.541 -1.990 1.00 32.04 H new ATOM 0 HB3 SER A 87 -7.351 5.632 -3.331 1.00 32.04 H new ATOM 0 HG SER A 87 -8.604 5.738 -0.748 1.00 64.15 H new ATOM 1474 N GLY A 88 -11.241 5.255 -3.029 1.00 44.43 N ATOM 1475 CA GLY A 88 -12.321 6.125 -3.515 1.00 22.05 C ATOM 1476 C GLY A 88 -12.868 5.745 -4.893 1.00 11.12 C ATOM 1477 O GLY A 88 -13.353 6.610 -5.636 1.00 22.00 O ATOM 0 H GLY A 88 -11.475 4.752 -2.173 1.00 44.43 H new ATOM 0 HA2 GLY A 88 -13.139 6.105 -2.795 1.00 22.05 H new ATOM 0 HA3 GLY A 88 -11.955 7.151 -3.553 1.00 22.05 H new ATOM 1481 N GLY A 89 -12.787 4.444 -5.227 1.00 71.15 N ATOM 1482 CA GLY A 89 -13.233 3.925 -6.526 1.00 51.14 C ATOM 1483 C GLY A 89 -12.095 3.739 -7.523 1.00 13.33 C ATOM 1484 O GLY A 89 -12.243 2.991 -8.489 1.00 54.42 O ATOM 0 H GLY A 89 -12.412 3.728 -4.605 1.00 71.15 H new ATOM 0 HA2 GLY A 89 -13.734 2.969 -6.375 1.00 51.14 H new ATOM 0 HA3 GLY A 89 -13.970 4.608 -6.949 1.00 51.14 H new ATOM 1488 N GLN A 90 -10.963 4.432 -7.297 1.00 45.31 N ATOM 1489 CA GLN A 90 -9.771 4.331 -8.161 1.00 1.22 C ATOM 1490 C GLN A 90 -8.916 3.096 -7.790 1.00 4.23 C ATOM 1491 O GLN A 90 -8.970 2.611 -6.660 1.00 40.04 O ATOM 1492 CB GLN A 90 -8.894 5.617 -8.075 1.00 75.33 C ATOM 1493 CG GLN A 90 -9.491 6.887 -8.738 1.00 44.44 C ATOM 1494 CD GLN A 90 -10.704 7.512 -8.022 1.00 52.23 C ATOM 1495 OE1 GLN A 90 -11.605 8.057 -8.660 1.00 71.34 O ATOM 1496 NE2 GLN A 90 -10.700 7.505 -6.696 1.00 4.22 N ATOM 0 H GLN A 90 -10.849 5.075 -6.514 1.00 45.31 H new ATOM 0 HA GLN A 90 -10.128 4.220 -9.185 1.00 1.22 H new ATOM 0 HB2 GLN A 90 -8.703 5.834 -7.024 1.00 75.33 H new ATOM 0 HB3 GLN A 90 -7.929 5.408 -8.538 1.00 75.33 H new ATOM 0 HG2 GLN A 90 -8.706 7.640 -8.807 1.00 44.44 H new ATOM 0 HG3 GLN A 90 -9.784 6.638 -9.758 1.00 44.44 H new ATOM 0 HE21 GLN A 90 -9.942 7.046 -6.191 1.00 4.22 H new ATOM 0 HE22 GLN A 90 -11.455 7.958 -6.181 1.00 4.22 H new ATOM 1505 N THR A 91 -8.159 2.582 -8.777 1.00 2.34 N ATOM 1506 CA THR A 91 -7.160 1.514 -8.591 1.00 74.23 C ATOM 1507 C THR A 91 -5.946 1.807 -9.482 1.00 14.14 C ATOM 1508 O THR A 91 -6.107 2.137 -10.660 1.00 31.31 O ATOM 1509 CB THR A 91 -7.747 0.100 -8.930 1.00 45.53 C ATOM 1510 OG1 THR A 91 -8.821 -0.213 -8.023 1.00 21.21 O ATOM 1511 CG2 THR A 91 -6.677 -1.016 -8.868 1.00 23.34 C ATOM 0 H THR A 91 -8.226 2.903 -9.743 1.00 2.34 H new ATOM 0 HA THR A 91 -6.864 1.498 -7.542 1.00 74.23 H new ATOM 0 HB THR A 91 -8.117 0.143 -9.954 1.00 45.53 H new ATOM 0 HG1 THR A 91 -8.487 -0.797 -7.310 1.00 21.21 H new ATOM 0 HG21 THR A 91 -7.136 -1.974 -9.111 1.00 23.34 H new ATOM 0 HG22 THR A 91 -5.885 -0.801 -9.585 1.00 23.34 H new ATOM 0 HG23 THR A 91 -6.255 -1.060 -7.864 1.00 23.34 H new ATOM 1519 N TRP A 92 -4.740 1.704 -8.911 1.00 64.55 N ATOM 1520 CA TRP A 92 -3.478 1.872 -9.643 1.00 23.43 C ATOM 1521 C TRP A 92 -2.677 0.562 -9.569 1.00 25.34 C ATOM 1522 O TRP A 92 -2.757 -0.167 -8.568 1.00 12.04 O ATOM 1523 CB TRP A 92 -2.660 3.046 -9.047 1.00 13.01 C ATOM 1524 CG TRP A 92 -3.401 4.365 -8.985 1.00 51.43 C ATOM 1525 CD1 TRP A 92 -3.472 5.320 -9.963 1.00 4.54 C ATOM 1526 CD2 TRP A 92 -4.173 4.869 -7.881 1.00 11.41 C ATOM 1527 NE1 TRP A 92 -4.226 6.381 -9.531 1.00 40.53 N ATOM 1528 CE2 TRP A 92 -4.670 6.128 -8.259 1.00 1.22 C ATOM 1529 CE3 TRP A 92 -4.490 4.374 -6.610 1.00 45.22 C ATOM 1530 CZ2 TRP A 92 -5.459 6.901 -7.413 1.00 60.02 C ATOM 1531 CZ3 TRP A 92 -5.276 5.140 -5.771 1.00 55.51 C ATOM 1532 CH2 TRP A 92 -5.754 6.392 -6.174 1.00 21.24 C ATOM 0 H TRP A 92 -4.611 1.500 -7.920 1.00 64.55 H new ATOM 0 HA TRP A 92 -3.690 2.106 -10.686 1.00 23.43 H new ATOM 0 HB2 TRP A 92 -2.342 2.775 -8.040 1.00 13.01 H new ATOM 0 HB3 TRP A 92 -1.756 3.180 -9.641 1.00 13.01 H new ATOM 0 HD1 TRP A 92 -3.003 5.248 -10.933 1.00 4.54 H new ATOM 0 HE1 TRP A 92 -4.425 7.224 -10.070 1.00 40.53 H new ATOM 0 HE3 TRP A 92 -4.126 3.409 -6.291 1.00 45.22 H new ATOM 0 HZ2 TRP A 92 -5.827 7.869 -7.721 1.00 60.02 H new ATOM 0 HZ3 TRP A 92 -5.525 4.767 -4.789 1.00 55.51 H new ATOM 0 HH2 TRP A 92 -6.367 6.968 -5.497 1.00 21.24 H new ATOM 1543 N THR A 93 -1.918 0.264 -10.634 1.00 75.24 N ATOM 1544 CA THR A 93 -1.068 -0.932 -10.719 1.00 3.45 C ATOM 1545 C THR A 93 0.403 -0.543 -10.441 1.00 24.51 C ATOM 1546 O THR A 93 0.904 0.455 -10.978 1.00 2.21 O ATOM 1547 CB THR A 93 -1.202 -1.603 -12.127 1.00 24.21 C ATOM 1548 OG1 THR A 93 -2.588 -1.889 -12.405 1.00 74.23 O ATOM 1549 CG2 THR A 93 -0.378 -2.897 -12.231 1.00 20.21 C ATOM 0 H THR A 93 -1.877 0.851 -11.467 1.00 75.24 H new ATOM 0 HA THR A 93 -1.393 -1.653 -9.969 1.00 3.45 H new ATOM 0 HB THR A 93 -0.811 -0.900 -12.862 1.00 24.21 H new ATOM 0 HG1 THR A 93 -2.665 -2.307 -13.288 1.00 74.23 H new ATOM 0 HG21 THR A 93 -0.501 -3.328 -13.225 1.00 20.21 H new ATOM 0 HG22 THR A 93 0.675 -2.673 -12.061 1.00 20.21 H new ATOM 0 HG23 THR A 93 -0.723 -3.609 -11.481 1.00 20.21 H new ATOM 1557 N PHE A 94 1.077 -1.334 -9.593 1.00 33.41 N ATOM 1558 CA PHE A 94 2.453 -1.074 -9.131 1.00 31.45 C ATOM 1559 C PHE A 94 3.318 -2.305 -9.413 1.00 24.23 C ATOM 1560 O PHE A 94 3.016 -3.387 -8.925 1.00 14.51 O ATOM 1561 CB PHE A 94 2.450 -0.764 -7.607 1.00 74.23 C ATOM 1562 CG PHE A 94 1.605 0.447 -7.214 1.00 43.41 C ATOM 1563 CD1 PHE A 94 0.227 0.360 -7.060 1.00 11.32 C ATOM 1564 CD2 PHE A 94 2.195 1.682 -7.037 1.00 25.15 C ATOM 1565 CE1 PHE A 94 -0.517 1.475 -6.742 1.00 54.15 C ATOM 1566 CE2 PHE A 94 1.459 2.800 -6.709 1.00 65.11 C ATOM 1567 CZ PHE A 94 0.096 2.696 -6.572 1.00 63.22 C ATOM 0 H PHE A 94 0.677 -2.187 -9.201 1.00 33.41 H new ATOM 0 HA PHE A 94 2.860 -0.214 -9.662 1.00 31.45 H new ATOM 0 HB2 PHE A 94 2.082 -1.639 -7.071 1.00 74.23 H new ATOM 0 HB3 PHE A 94 3.476 -0.598 -7.280 1.00 74.23 H new ATOM 0 HD1 PHE A 94 -0.266 -0.592 -7.191 1.00 11.32 H new ATOM 0 HD2 PHE A 94 3.264 1.775 -7.159 1.00 25.15 H new ATOM 0 HE1 PHE A 94 -1.587 1.391 -6.625 1.00 54.15 H new ATOM 0 HE2 PHE A 94 1.950 3.751 -6.561 1.00 65.11 H new ATOM 0 HZ PHE A 94 -0.493 3.569 -6.332 1.00 63.22 H new ATOM 1577 N ASN A 95 4.383 -2.147 -10.208 1.00 21.44 N ATOM 1578 CA ASN A 95 5.319 -3.243 -10.536 1.00 41.34 C ATOM 1579 C ASN A 95 6.761 -2.807 -10.257 1.00 62.25 C ATOM 1580 O ASN A 95 7.175 -1.701 -10.635 1.00 54.13 O ATOM 1581 CB ASN A 95 5.151 -3.699 -12.014 1.00 3.41 C ATOM 1582 CG ASN A 95 3.931 -4.598 -12.235 1.00 31.31 C ATOM 1583 OD1 ASN A 95 2.843 -4.129 -12.570 1.00 53.32 O ATOM 1584 ND2 ASN A 95 4.106 -5.902 -12.030 1.00 14.11 N ATOM 0 H ASN A 95 4.625 -1.258 -10.645 1.00 21.44 H new ATOM 0 HA ASN A 95 5.086 -4.097 -9.900 1.00 41.34 H new ATOM 0 HB2 ASN A 95 5.065 -2.819 -12.651 1.00 3.41 H new ATOM 0 HB3 ASN A 95 6.048 -4.233 -12.327 1.00 3.41 H new ATOM 0 HD21 ASN A 95 3.325 -6.546 -12.150 1.00 14.11 H new ATOM 0 HD22 ASN A 95 5.021 -6.256 -11.753 1.00 14.11 H new ATOM 1591 N GLU A 96 7.511 -3.682 -9.572 1.00 23.54 N ATOM 1592 CA GLU A 96 8.907 -3.431 -9.184 1.00 53.21 C ATOM 1593 C GLU A 96 9.867 -3.686 -10.362 1.00 2.13 C ATOM 1594 O GLU A 96 9.522 -4.371 -11.330 1.00 63.41 O ATOM 1595 CB GLU A 96 9.257 -4.275 -7.920 1.00 2.33 C ATOM 1596 CG GLU A 96 8.932 -5.790 -7.989 1.00 64.12 C ATOM 1597 CD GLU A 96 9.870 -6.625 -8.885 1.00 63.14 C ATOM 1598 OE1 GLU A 96 11.062 -6.770 -8.532 1.00 14.51 O ATOM 1599 OE2 GLU A 96 9.418 -7.141 -9.933 1.00 53.24 O ATOM 0 H GLU A 96 7.163 -4.592 -9.269 1.00 23.54 H new ATOM 0 HA GLU A 96 9.029 -2.380 -8.923 1.00 53.21 H new ATOM 0 HB2 GLU A 96 10.323 -4.163 -7.719 1.00 2.33 H new ATOM 0 HB3 GLU A 96 8.726 -3.850 -7.068 1.00 2.33 H new ATOM 0 HG2 GLU A 96 8.963 -6.198 -6.979 1.00 64.12 H new ATOM 0 HG3 GLU A 96 7.910 -5.910 -8.350 1.00 64.12 H new ATOM 1606 N LYS A 97 11.067 -3.115 -10.268 1.00 11.24 N ATOM 1607 CA LYS A 97 12.092 -3.202 -11.318 1.00 22.15 C ATOM 1608 C LYS A 97 13.354 -3.871 -10.727 1.00 73.14 C ATOM 1609 O LYS A 97 13.946 -3.300 -9.783 1.00 12.24 O ATOM 1610 CB LYS A 97 12.396 -1.780 -11.885 1.00 33.52 C ATOM 1611 CG LYS A 97 11.177 -1.087 -12.558 1.00 2.54 C ATOM 1612 CD LYS A 97 11.454 0.383 -12.954 1.00 51.31 C ATOM 1613 CE LYS A 97 11.728 1.278 -11.733 1.00 44.41 C ATOM 1614 NZ LYS A 97 11.957 2.698 -12.125 1.00 30.04 N ATOM 1615 OXT LYS A 97 13.742 -4.962 -11.189 1.00 38.08 O ATOM 0 H LYS A 97 11.362 -2.573 -9.456 1.00 11.24 H new ATOM 0 HA LYS A 97 11.736 -3.811 -12.149 1.00 22.15 H new ATOM 0 HB2 LYS A 97 12.757 -1.147 -11.074 1.00 33.52 H new ATOM 0 HB3 LYS A 97 13.204 -1.857 -12.613 1.00 33.52 H new ATOM 0 HG2 LYS A 97 10.893 -1.649 -13.448 1.00 2.54 H new ATOM 0 HG3 LYS A 97 10.327 -1.119 -11.876 1.00 2.54 H new ATOM 0 HD2 LYS A 97 12.310 0.420 -13.627 1.00 51.31 H new ATOM 0 HD3 LYS A 97 10.599 0.776 -13.504 1.00 51.31 H new ATOM 0 HE2 LYS A 97 10.884 1.223 -11.046 1.00 44.41 H new ATOM 0 HE3 LYS A 97 12.600 0.904 -11.197 1.00 44.41 H new ATOM 0 HZ1 LYS A 97 12.138 3.268 -11.274 1.00 30.04 H new ATOM 0 HZ2 LYS A 97 12.778 2.755 -12.761 1.00 30.04 H new ATOM 0 HZ3 LYS A 97 11.115 3.063 -12.614 1.00 30.04 H new TER 1629 LYS A 97