USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 691 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 37 LYS NZ :NH3+ 172:sc= 0.788 (180deg=-0.524) USER MOD Set 1.2: A 71 GLN : amide:sc= -1.84 K(o=-1.1,f=-5.2) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.236 (180deg=-0.91) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.195 (180deg=-0.349) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 4 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.6) USER MOD Single : A 7 HIS : no HD1:sc= -0.153 K(o=-0.15,f=-0.92) USER MOD Single : A 8 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -0.213 K(o=-0.21,f=-1.8) USER MOD Single : A 12 ASN : amide:sc= -0.345 K(o=-0.35,f=-3.4!) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc=-0.00547 (180deg=-0.117) USER MOD Single : A 23 HIS :FLIP no HE2:sc= 0.0556 F(o=-1.1,f=0.056) USER MOD Single : A 24 SER OG : rot -27:sc= 0.483 USER MOD Single : A 26 LYS NZ :NH3+ -109:sc= 1.21 (180deg=-0.29) USER MOD Single : A 27 MET CE :methyl -164:sc= -0.276 (180deg=-0.791) USER MOD Single : A 28 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.49) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.0657 K(o=0.066,f=-8.9!) USER MOD Single : A 42 MET CE :methyl 151:sc= -2.98! (180deg=-5.11!) USER MOD Single : A 46 SER OG : rot -76:sc= 0.612 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot 73:sc= -0.961 USER MOD Single : A 55 THR OG1 : rot 72:sc= 0.915 USER MOD Single : A 59 MET CE :methyl 153:sc= -1.72 (180deg=-3.03!) USER MOD Single : A 60 TYR OH : rot 150:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.278 K(o=-0.28,f=-4!) USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.0603 USER MOD Single : A 76 MET CE :methyl -158:sc= -0.143 (180deg=-0.736) USER MOD Single : A 80 LYS NZ :NH3+ -172:sc=-0.00741 (180deg=-0.0905) USER MOD Single : A 82 MET CE :methyl -124:sc= -0.831 (180deg=-1.97!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= 1.16 (180deg=0.967) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.110 -24.765 -25.346 1.00 20.50 N ATOM 2 CA MET A 1 4.237 -24.594 -24.383 1.00 25.02 C ATOM 3 C MET A 1 4.137 -23.270 -23.603 1.00 30.33 C ATOM 4 O MET A 1 4.993 -22.967 -22.770 1.00 64.31 O ATOM 5 CB MET A 1 5.584 -24.672 -25.121 1.00 72.44 C ATOM 6 CG MET A 1 5.752 -23.632 -26.221 1.00 42.11 C ATOM 7 SD MET A 1 7.285 -23.837 -27.151 1.00 62.51 S ATOM 8 CE MET A 1 7.048 -25.476 -27.840 1.00 30.03 C ATOM 0 H1 MET A 1 3.295 -25.588 -25.954 1.00 20.50 H new ATOM 0 H2 MET A 1 2.225 -24.914 -24.821 1.00 20.50 H new ATOM 0 H3 MET A 1 3.024 -23.912 -25.935 1.00 20.50 H new ATOM 0 HA MET A 1 4.172 -25.406 -23.659 1.00 25.02 H new ATOM 0 HB2 MET A 1 6.390 -24.553 -24.397 1.00 72.44 H new ATOM 0 HB3 MET A 1 5.691 -25.666 -25.556 1.00 72.44 H new ATOM 0 HG2 MET A 1 4.906 -23.694 -26.906 1.00 42.11 H new ATOM 0 HG3 MET A 1 5.731 -22.636 -25.779 1.00 42.11 H new ATOM 0 HE1 MET A 1 7.681 -25.596 -28.719 1.00 30.03 H new ATOM 0 HE2 MET A 1 7.315 -26.226 -27.095 1.00 30.03 H new ATOM 0 HE3 MET A 1 6.004 -25.603 -28.125 1.00 30.03 H new ATOM 20 N GLY A 2 3.097 -22.484 -23.878 1.00 2.42 N ATOM 21 CA GLY A 2 2.887 -21.233 -23.157 1.00 43.43 C ATOM 22 C GLY A 2 2.408 -21.451 -21.727 1.00 14.20 C ATOM 23 O GLY A 2 1.423 -22.157 -21.493 1.00 53.44 O ATOM 0 H GLY A 2 2.394 -22.690 -24.588 1.00 2.42 H new ATOM 0 HA2 GLY A 2 3.818 -20.667 -23.141 1.00 43.43 H new ATOM 0 HA3 GLY A 2 2.155 -20.628 -23.693 1.00 43.43 H new ATOM 27 N HIS A 3 3.091 -20.840 -20.764 1.00 42.43 N ATOM 28 CA HIS A 3 2.751 -21.020 -19.351 1.00 33.04 C ATOM 29 C HIS A 3 1.490 -20.220 -18.971 1.00 20.23 C ATOM 30 O HIS A 3 1.571 -19.145 -18.378 1.00 54.41 O ATOM 31 CB HIS A 3 3.934 -20.612 -18.460 1.00 42.34 C ATOM 32 CG HIS A 3 5.213 -21.326 -18.792 1.00 50.43 C ATOM 33 ND1 HIS A 3 6.417 -20.673 -18.959 1.00 35.04 N ATOM 34 CD2 HIS A 3 5.483 -22.645 -18.974 1.00 50.31 C ATOM 35 CE1 HIS A 3 7.363 -21.549 -19.229 1.00 13.33 C ATOM 36 NE2 HIS A 3 6.825 -22.750 -19.245 1.00 51.03 N ATOM 0 H HIS A 3 3.881 -20.217 -20.932 1.00 42.43 H new ATOM 0 HA HIS A 3 2.537 -22.077 -19.190 1.00 33.04 H new ATOM 0 HB2 HIS A 3 4.093 -19.538 -18.552 1.00 42.34 H new ATOM 0 HB3 HIS A 3 3.678 -20.808 -17.419 1.00 42.34 H new ATOM 0 HD2 HIS A 3 4.775 -23.458 -18.916 1.00 50.31 H new ATOM 0 HE1 HIS A 3 8.403 -21.320 -19.407 1.00 13.33 H new ATOM 0 HE2 HIS A 3 7.325 -23.620 -19.429 1.00 51.03 H new ATOM 45 N HIS A 4 0.321 -20.753 -19.334 1.00 71.11 N ATOM 46 CA HIS A 4 -0.960 -20.088 -19.044 1.00 74.41 C ATOM 47 C HIS A 4 -1.527 -20.530 -17.686 1.00 3.45 C ATOM 48 O HIS A 4 -2.604 -20.093 -17.276 1.00 22.14 O ATOM 49 CB HIS A 4 -1.981 -20.391 -20.150 1.00 71.50 C ATOM 50 CG HIS A 4 -1.492 -20.079 -21.530 1.00 32.31 C ATOM 51 ND1 HIS A 4 -1.298 -18.797 -21.992 1.00 53.54 N ATOM 52 CD2 HIS A 4 -1.152 -20.897 -22.555 1.00 32.42 C ATOM 53 CE1 HIS A 4 -0.863 -18.837 -23.234 1.00 31.42 C ATOM 54 NE2 HIS A 4 -0.765 -20.098 -23.599 1.00 22.34 N ATOM 0 H HIS A 4 0.231 -21.641 -19.828 1.00 71.11 H new ATOM 0 HA HIS A 4 -0.772 -19.015 -19.006 1.00 74.41 H new ATOM 0 HB2 HIS A 4 -2.252 -21.446 -20.101 1.00 71.50 H new ATOM 0 HB3 HIS A 4 -2.889 -19.819 -19.959 1.00 71.50 H new ATOM 0 HD2 HIS A 4 -1.181 -21.977 -22.550 1.00 32.42 H new ATOM 0 HE1 HIS A 4 -0.627 -17.981 -23.849 1.00 31.42 H new ATOM 0 HE2 HIS A 4 -0.451 -20.427 -24.512 1.00 22.34 H new ATOM 63 N HIS A 5 -0.790 -21.392 -16.991 1.00 75.12 N ATOM 64 CA HIS A 5 -1.231 -21.925 -15.697 1.00 14.41 C ATOM 65 C HIS A 5 -1.235 -20.839 -14.608 1.00 70.44 C ATOM 66 O HIS A 5 -0.302 -20.728 -13.808 1.00 63.12 O ATOM 67 CB HIS A 5 -0.350 -23.108 -15.281 1.00 2.13 C ATOM 68 CG HIS A 5 -0.526 -24.319 -16.147 1.00 63.22 C ATOM 69 ND1 HIS A 5 -1.488 -25.277 -15.915 1.00 22.04 N ATOM 70 CD2 HIS A 5 0.145 -24.729 -17.251 1.00 4.13 C ATOM 71 CE1 HIS A 5 -1.400 -26.220 -16.828 1.00 11.01 C ATOM 72 NE2 HIS A 5 -0.418 -25.915 -17.653 1.00 55.44 N ATOM 0 H HIS A 5 0.118 -21.739 -17.300 1.00 75.12 H new ATOM 0 HA HIS A 5 -2.257 -22.275 -15.812 1.00 14.41 H new ATOM 0 HB2 HIS A 5 0.695 -22.800 -15.309 1.00 2.13 H new ATOM 0 HB3 HIS A 5 -0.576 -23.374 -14.248 1.00 2.13 H new ATOM 0 HD2 HIS A 5 0.969 -24.218 -17.726 1.00 4.13 H new ATOM 0 HE1 HIS A 5 -2.027 -27.097 -16.891 1.00 11.01 H new ATOM 0 HE2 HIS A 5 -0.125 -26.469 -18.458 1.00 55.44 H new ATOM 81 N HIS A 6 -2.294 -20.036 -14.596 1.00 21.24 N ATOM 82 CA HIS A 6 -2.423 -18.924 -13.650 1.00 45.12 C ATOM 83 C HIS A 6 -2.886 -19.404 -12.260 1.00 61.23 C ATOM 84 O HIS A 6 -4.061 -19.292 -11.898 1.00 0.10 O ATOM 85 CB HIS A 6 -3.379 -17.857 -14.209 1.00 23.35 C ATOM 86 CG HIS A 6 -4.775 -18.348 -14.459 1.00 51.20 C ATOM 87 ND1 HIS A 6 -5.823 -18.093 -13.601 1.00 24.34 N ATOM 88 CD2 HIS A 6 -5.297 -19.082 -15.472 1.00 20.31 C ATOM 89 CE1 HIS A 6 -6.920 -18.647 -14.069 1.00 34.11 C ATOM 90 NE2 HIS A 6 -6.631 -19.252 -15.199 1.00 31.11 N ATOM 0 H HIS A 6 -3.083 -20.133 -15.235 1.00 21.24 H new ATOM 0 HA HIS A 6 -1.436 -18.479 -13.523 1.00 45.12 H new ATOM 0 HB2 HIS A 6 -3.420 -17.021 -13.511 1.00 23.35 H new ATOM 0 HB3 HIS A 6 -2.969 -17.472 -15.143 1.00 23.35 H new ATOM 0 HD2 HIS A 6 -4.764 -19.461 -16.331 1.00 20.31 H new ATOM 0 HE1 HIS A 6 -7.894 -18.611 -13.603 1.00 34.11 H new ATOM 0 HE2 HIS A 6 -7.293 -19.766 -15.781 1.00 31.11 H new ATOM 99 N HIS A 7 -1.956 -19.969 -11.497 1.00 50.21 N ATOM 100 CA HIS A 7 -2.243 -20.426 -10.128 1.00 44.45 C ATOM 101 C HIS A 7 -2.083 -19.290 -9.108 1.00 1.01 C ATOM 102 O HIS A 7 -1.305 -18.361 -9.315 1.00 23.44 O ATOM 103 CB HIS A 7 -1.333 -21.604 -9.747 1.00 30.22 C ATOM 104 CG HIS A 7 0.115 -21.384 -10.086 1.00 42.11 C ATOM 105 ND1 HIS A 7 0.677 -21.804 -11.272 1.00 20.10 N ATOM 106 CD2 HIS A 7 1.116 -20.781 -9.395 1.00 15.35 C ATOM 107 CE1 HIS A 7 1.952 -21.472 -11.300 1.00 71.52 C ATOM 108 NE2 HIS A 7 2.243 -20.852 -10.175 1.00 61.42 N ATOM 0 H HIS A 7 -0.994 -20.125 -11.797 1.00 50.21 H new ATOM 0 HA HIS A 7 -3.281 -20.757 -10.107 1.00 44.45 H new ATOM 0 HB2 HIS A 7 -1.422 -21.789 -8.677 1.00 30.22 H new ATOM 0 HB3 HIS A 7 -1.684 -22.502 -10.256 1.00 30.22 H new ATOM 0 HD2 HIS A 7 1.040 -20.331 -8.416 1.00 15.35 H new ATOM 0 HE1 HIS A 7 2.640 -21.674 -12.107 1.00 71.52 H new ATOM 0 HE2 HIS A 7 3.160 -20.483 -9.923 1.00 61.42 H new ATOM 117 N HIS A 8 -2.822 -19.376 -8.005 1.00 2.24 N ATOM 118 CA HIS A 8 -2.752 -18.366 -6.944 1.00 72.21 C ATOM 119 C HIS A 8 -1.821 -18.833 -5.808 1.00 11.13 C ATOM 120 O HIS A 8 -2.147 -19.758 -5.060 1.00 74.13 O ATOM 121 CB HIS A 8 -4.162 -18.068 -6.418 1.00 72.24 C ATOM 122 CG HIS A 8 -5.064 -17.475 -7.459 1.00 53.24 C ATOM 123 ND1 HIS A 8 -5.472 -16.159 -7.441 1.00 12.52 N ATOM 124 CD2 HIS A 8 -5.629 -18.021 -8.563 1.00 73.45 C ATOM 125 CE1 HIS A 8 -6.244 -15.922 -8.482 1.00 22.21 C ATOM 126 NE2 HIS A 8 -6.355 -17.033 -9.179 1.00 23.04 N ATOM 0 H HIS A 8 -3.478 -20.135 -7.819 1.00 2.24 H new ATOM 0 HA HIS A 8 -2.334 -17.447 -7.355 1.00 72.21 H new ATOM 0 HB2 HIS A 8 -4.606 -18.990 -6.043 1.00 72.24 H new ATOM 0 HB3 HIS A 8 -4.091 -17.382 -5.574 1.00 72.24 H new ATOM 0 HD2 HIS A 8 -5.527 -19.043 -8.896 1.00 73.45 H new ATOM 0 HE1 HIS A 8 -6.707 -14.977 -8.723 1.00 22.21 H new ATOM 0 HE2 HIS A 8 -6.894 -17.142 -10.038 1.00 23.04 H new ATOM 135 N SER A 9 -0.664 -18.182 -5.694 1.00 30.24 N ATOM 136 CA SER A 9 0.413 -18.626 -4.789 1.00 24.31 C ATOM 137 C SER A 9 0.031 -18.554 -3.300 1.00 24.23 C ATOM 138 O SER A 9 0.497 -19.367 -2.497 1.00 24.21 O ATOM 139 CB SER A 9 1.681 -17.791 -5.026 1.00 55.43 C ATOM 140 OG SER A 9 2.771 -18.278 -4.254 1.00 75.52 O ATOM 0 H SER A 9 -0.441 -17.337 -6.219 1.00 30.24 H new ATOM 0 HA SER A 9 0.593 -19.675 -5.024 1.00 24.31 H new ATOM 0 HB2 SER A 9 1.942 -17.815 -6.084 1.00 55.43 H new ATOM 0 HB3 SER A 9 1.487 -16.750 -4.769 1.00 55.43 H new ATOM 0 HG SER A 9 3.565 -17.729 -4.426 1.00 75.52 H new ATOM 146 N HIS A 10 -0.809 -17.583 -2.933 1.00 43.24 N ATOM 147 CA HIS A 10 -1.172 -17.349 -1.525 1.00 24.21 C ATOM 148 C HIS A 10 0.089 -17.130 -0.656 1.00 11.45 C ATOM 149 O HIS A 10 0.503 -18.017 0.096 1.00 63.35 O ATOM 150 CB HIS A 10 -2.015 -18.526 -0.990 1.00 1.10 C ATOM 151 CG HIS A 10 -2.492 -18.364 0.426 1.00 41.31 C ATOM 152 ND1 HIS A 10 -1.719 -18.686 1.522 1.00 74.33 N ATOM 153 CD2 HIS A 10 -3.678 -17.932 0.926 1.00 21.50 C ATOM 154 CE1 HIS A 10 -2.402 -18.464 2.626 1.00 21.11 C ATOM 155 NE2 HIS A 10 -3.589 -18.008 2.294 1.00 51.03 N ATOM 0 H HIS A 10 -1.254 -16.942 -3.590 1.00 43.24 H new ATOM 0 HA HIS A 10 -1.772 -16.441 -1.469 1.00 24.21 H new ATOM 0 HB2 HIS A 10 -2.881 -18.659 -1.638 1.00 1.10 H new ATOM 0 HB3 HIS A 10 -1.424 -19.439 -1.058 1.00 1.10 H new ATOM 0 HD1 HIS A 10 -0.764 -19.042 1.483 1.00 74.33 H new ATOM 0 HD2 HIS A 10 -4.530 -17.593 0.356 1.00 21.50 H new ATOM 0 HE1 HIS A 10 -2.047 -18.629 3.633 1.00 21.11 H new ATOM 164 N PRO A 11 0.729 -15.947 -0.769 1.00 62.21 N ATOM 165 CA PRO A 11 1.972 -15.638 -0.033 1.00 0.42 C ATOM 166 C PRO A 11 1.741 -15.331 1.454 1.00 74.23 C ATOM 167 O PRO A 11 0.692 -14.808 1.846 1.00 11.01 O ATOM 168 CB PRO A 11 2.494 -14.393 -0.760 1.00 0.33 C ATOM 169 CG PRO A 11 1.256 -13.712 -1.236 1.00 0.34 C ATOM 170 CD PRO A 11 0.307 -14.818 -1.626 1.00 54.34 C ATOM 0 HA PRO A 11 2.659 -16.484 -0.029 1.00 0.42 H new ATOM 0 HB2 PRO A 11 3.071 -13.753 -0.093 1.00 0.33 H new ATOM 0 HB3 PRO A 11 3.148 -14.660 -1.590 1.00 0.33 H new ATOM 0 HG2 PRO A 11 0.828 -13.086 -0.453 1.00 0.34 H new ATOM 0 HG3 PRO A 11 1.468 -13.061 -2.084 1.00 0.34 H new ATOM 0 HD2 PRO A 11 -0.731 -14.540 -1.443 1.00 54.34 H new ATOM 0 HD3 PRO A 11 0.389 -15.064 -2.685 1.00 54.34 H new ATOM 178 N ASN A 12 2.739 -15.650 2.274 1.00 45.22 N ATOM 179 CA ASN A 12 2.683 -15.395 3.716 1.00 13.22 C ATOM 180 C ASN A 12 2.721 -13.892 4.033 1.00 74.21 C ATOM 181 O ASN A 12 3.070 -13.075 3.175 1.00 51.13 O ATOM 182 CB ASN A 12 3.861 -16.092 4.409 1.00 4.00 C ATOM 183 CG ASN A 12 3.835 -17.598 4.238 1.00 23.31 C ATOM 184 OD1 ASN A 12 3.317 -18.122 3.255 1.00 53.20 O ATOM 185 ND2 ASN A 12 4.397 -18.308 5.189 1.00 41.02 N ATOM 0 H ASN A 12 3.605 -16.090 1.963 1.00 45.22 H new ATOM 0 HA ASN A 12 1.738 -15.793 4.087 1.00 13.22 H new ATOM 0 HB2 ASN A 12 4.796 -15.701 4.007 1.00 4.00 H new ATOM 0 HB3 ASN A 12 3.846 -15.851 5.472 1.00 4.00 H new ATOM 0 HD21 ASN A 12 4.412 -19.326 5.124 1.00 41.02 H new ATOM 0 HD22 ASN A 12 4.818 -17.842 5.992 1.00 41.02 H new ATOM 192 N GLU A 13 2.376 -13.537 5.273 1.00 63.41 N ATOM 193 CA GLU A 13 2.424 -12.143 5.733 1.00 70.53 C ATOM 194 C GLU A 13 3.804 -11.524 5.456 1.00 31.11 C ATOM 195 O GLU A 13 3.910 -10.455 4.851 1.00 14.05 O ATOM 196 CB GLU A 13 2.109 -12.078 7.237 1.00 52.40 C ATOM 197 CG GLU A 13 2.081 -10.664 7.813 1.00 51.13 C ATOM 198 CD GLU A 13 1.836 -10.651 9.316 1.00 64.52 C ATOM 199 OE1 GLU A 13 0.716 -10.990 9.741 1.00 63.42 O ATOM 200 OE2 GLU A 13 2.767 -10.318 10.082 1.00 51.40 O ATOM 0 H GLU A 13 2.058 -14.198 5.982 1.00 63.41 H new ATOM 0 HA GLU A 13 1.676 -11.571 5.184 1.00 70.53 H new ATOM 0 HB2 GLU A 13 1.142 -12.549 7.414 1.00 52.40 H new ATOM 0 HB3 GLU A 13 2.853 -12.663 7.778 1.00 52.40 H new ATOM 0 HG2 GLU A 13 3.028 -10.169 7.598 1.00 51.13 H new ATOM 0 HG3 GLU A 13 1.300 -10.088 7.316 1.00 51.13 H new ATOM 207 N GLU A 14 4.848 -12.226 5.886 1.00 74.10 N ATOM 208 CA GLU A 14 6.237 -11.818 5.644 1.00 35.35 C ATOM 209 C GLU A 14 6.510 -11.584 4.144 1.00 50.45 C ATOM 210 O GLU A 14 7.038 -10.541 3.749 1.00 55.51 O ATOM 211 CB GLU A 14 7.174 -12.908 6.183 1.00 11.05 C ATOM 212 CG GLU A 14 8.660 -12.670 5.919 1.00 33.04 C ATOM 213 CD GLU A 14 9.227 -11.479 6.675 1.00 40.23 C ATOM 214 OE1 GLU A 14 9.181 -11.487 7.923 1.00 13.13 O ATOM 215 OE2 GLU A 14 9.737 -10.538 6.029 1.00 11.14 O ATOM 0 H GLU A 14 4.760 -13.095 6.413 1.00 74.10 H new ATOM 0 HA GLU A 14 6.416 -10.874 6.159 1.00 35.35 H new ATOM 0 HB2 GLU A 14 7.021 -12.998 7.258 1.00 11.05 H new ATOM 0 HB3 GLU A 14 6.890 -13.862 5.740 1.00 11.05 H new ATOM 0 HG2 GLU A 14 9.218 -13.565 6.195 1.00 33.04 H new ATOM 0 HG3 GLU A 14 8.811 -12.517 4.850 1.00 33.04 H new ATOM 222 N ALA A 15 6.129 -12.559 3.318 1.00 43.10 N ATOM 223 CA ALA A 15 6.400 -12.520 1.873 1.00 33.35 C ATOM 224 C ALA A 15 5.730 -11.325 1.175 1.00 32.52 C ATOM 225 O ALA A 15 6.375 -10.590 0.429 1.00 14.34 O ATOM 226 CB ALA A 15 5.950 -13.823 1.226 1.00 55.31 C ATOM 0 H ALA A 15 5.628 -13.393 3.624 1.00 43.10 H new ATOM 0 HA ALA A 15 7.476 -12.397 1.751 1.00 33.35 H new ATOM 0 HB1 ALA A 15 6.154 -13.787 0.156 1.00 55.31 H new ATOM 0 HB2 ALA A 15 6.493 -14.657 1.671 1.00 55.31 H new ATOM 0 HB3 ALA A 15 4.881 -13.959 1.387 1.00 55.31 H new ATOM 232 N ARG A 16 4.433 -11.137 1.407 1.00 62.30 N ATOM 233 CA ARG A 16 3.703 -10.035 0.773 1.00 13.50 C ATOM 234 C ARG A 16 4.102 -8.673 1.371 1.00 15.11 C ATOM 235 O ARG A 16 4.110 -7.657 0.672 1.00 23.24 O ATOM 236 CB ARG A 16 2.187 -10.269 0.842 1.00 22.42 C ATOM 237 CG ARG A 16 1.614 -10.383 2.250 1.00 44.34 C ATOM 238 CD ARG A 16 0.180 -10.910 2.220 1.00 24.43 C ATOM 239 NE ARG A 16 -0.456 -10.871 3.531 1.00 13.41 N ATOM 240 CZ ARG A 16 -0.823 -11.924 4.210 1.00 4.21 C ATOM 241 NH1 ARG A 16 -0.581 -13.121 3.775 1.00 73.45 N ATOM 242 NH2 ARG A 16 -1.438 -11.768 5.338 1.00 54.42 N ATOM 0 H ARG A 16 3.869 -11.724 2.021 1.00 62.30 H new ATOM 0 HA ARG A 16 3.983 -10.011 -0.280 1.00 13.50 H new ATOM 0 HB2 ARG A 16 1.685 -9.450 0.327 1.00 22.42 H new ATOM 0 HB3 ARG A 16 1.951 -11.182 0.295 1.00 22.42 H new ATOM 0 HG2 ARG A 16 2.237 -11.049 2.847 1.00 44.34 H new ATOM 0 HG3 ARG A 16 1.636 -9.407 2.735 1.00 44.34 H new ATOM 0 HD2 ARG A 16 -0.407 -10.318 1.517 1.00 24.43 H new ATOM 0 HD3 ARG A 16 0.181 -11.935 1.850 1.00 24.43 H new ATOM 0 HE ARG A 16 -0.626 -9.956 3.948 1.00 13.41 H new ATOM 0 HH11 ARG A 16 -0.096 -13.253 2.888 1.00 73.45 H new ATOM 0 HH12 ARG A 16 -0.876 -13.931 4.320 1.00 73.45 H new ATOM 0 HH21 ARG A 16 -1.631 -10.830 5.688 1.00 54.42 H new ATOM 0 HH22 ARG A 16 -1.729 -12.583 5.877 1.00 54.42 H new ATOM 256 N LEU A 17 4.440 -8.655 2.663 1.00 32.33 N ATOM 257 CA LEU A 17 4.942 -7.434 3.308 1.00 11.22 C ATOM 258 C LEU A 17 6.284 -6.996 2.694 1.00 41.32 C ATOM 259 O LEU A 17 6.579 -5.802 2.609 1.00 33.21 O ATOM 260 CB LEU A 17 5.094 -7.648 4.821 1.00 62.02 C ATOM 261 CG LEU A 17 5.567 -6.422 5.620 1.00 62.12 C ATOM 262 CD1 LEU A 17 4.659 -5.223 5.365 1.00 51.25 C ATOM 263 CD2 LEU A 17 5.629 -6.745 7.111 1.00 72.31 C ATOM 0 H LEU A 17 4.377 -9.464 3.281 1.00 32.33 H new ATOM 0 HA LEU A 17 4.214 -6.641 3.137 1.00 11.22 H new ATOM 0 HB2 LEU A 17 4.134 -7.973 5.222 1.00 62.02 H new ATOM 0 HB3 LEU A 17 5.800 -8.462 4.986 1.00 62.02 H new ATOM 0 HG LEU A 17 6.571 -6.163 5.283 1.00 62.12 H new ATOM 0 HD11 LEU A 17 5.014 -4.369 5.941 1.00 51.25 H new ATOM 0 HD12 LEU A 17 4.672 -4.976 4.304 1.00 51.25 H new ATOM 0 HD13 LEU A 17 3.641 -5.467 5.668 1.00 51.25 H new ATOM 0 HD21 LEU A 17 5.966 -5.866 7.660 1.00 72.31 H new ATOM 0 HD22 LEU A 17 4.639 -7.035 7.462 1.00 72.31 H new ATOM 0 HD23 LEU A 17 6.327 -7.566 7.277 1.00 72.31 H new ATOM 275 N ASP A 18 7.087 -7.973 2.269 1.00 2.21 N ATOM 276 CA ASP A 18 8.343 -7.703 1.556 1.00 71.22 C ATOM 277 C ASP A 18 8.092 -6.785 0.345 1.00 74.05 C ATOM 278 O ASP A 18 8.801 -5.798 0.131 1.00 13.32 O ATOM 279 CB ASP A 18 8.963 -9.032 1.098 1.00 60.35 C ATOM 280 CG ASP A 18 10.328 -8.872 0.446 1.00 50.42 C ATOM 281 OD1 ASP A 18 10.389 -8.559 -0.761 1.00 51.12 O ATOM 282 OD2 ASP A 18 11.348 -9.072 1.138 1.00 63.32 O ATOM 0 H ASP A 18 6.891 -8.965 2.406 1.00 2.21 H new ATOM 0 HA ASP A 18 9.033 -7.194 2.229 1.00 71.22 H new ATOM 0 HB2 ASP A 18 9.055 -9.696 1.957 1.00 60.35 H new ATOM 0 HB3 ASP A 18 8.287 -9.515 0.393 1.00 60.35 H new ATOM 287 N ILE A 19 7.058 -7.119 -0.425 1.00 31.23 N ATOM 288 CA ILE A 19 6.659 -6.337 -1.600 1.00 42.34 C ATOM 289 C ILE A 19 6.260 -4.905 -1.200 1.00 61.12 C ATOM 290 O ILE A 19 6.679 -3.923 -1.825 1.00 4.44 O ATOM 291 CB ILE A 19 5.460 -7.005 -2.321 1.00 60.51 C ATOM 292 CG1 ILE A 19 5.726 -8.504 -2.542 1.00 35.04 C ATOM 293 CG2 ILE A 19 5.172 -6.306 -3.651 1.00 62.01 C ATOM 294 CD1 ILE A 19 4.514 -9.272 -3.030 1.00 34.11 C ATOM 0 H ILE A 19 6.473 -7.937 -0.255 1.00 31.23 H new ATOM 0 HA ILE A 19 7.516 -6.299 -2.272 1.00 42.34 H new ATOM 0 HB ILE A 19 4.580 -6.904 -1.685 1.00 60.51 H new ATOM 0 HG12 ILE A 19 6.533 -8.618 -3.266 1.00 35.04 H new ATOM 0 HG13 ILE A 19 6.072 -8.944 -1.607 1.00 35.04 H new ATOM 0 HG21 ILE A 19 4.327 -6.790 -4.141 1.00 62.01 H new ATOM 0 HG22 ILE A 19 4.933 -5.258 -3.467 1.00 62.01 H new ATOM 0 HG23 ILE A 19 6.050 -6.371 -4.294 1.00 62.01 H new ATOM 0 HD11 ILE A 19 4.778 -10.321 -3.163 1.00 34.11 H new ATOM 0 HD12 ILE A 19 3.712 -9.190 -2.297 1.00 34.11 H new ATOM 0 HD13 ILE A 19 4.180 -8.858 -3.981 1.00 34.11 H new ATOM 306 N LEU A 20 5.440 -4.802 -0.153 1.00 43.34 N ATOM 307 CA LEU A 20 4.991 -3.506 0.369 1.00 3.41 C ATOM 308 C LEU A 20 6.182 -2.617 0.759 1.00 5.03 C ATOM 309 O LEU A 20 6.207 -1.427 0.446 1.00 33.34 O ATOM 310 CB LEU A 20 4.070 -3.724 1.581 1.00 15.33 C ATOM 311 CG LEU A 20 2.741 -4.433 1.269 1.00 53.11 C ATOM 312 CD1 LEU A 20 2.058 -4.905 2.549 1.00 12.54 C ATOM 313 CD2 LEU A 20 1.815 -3.515 0.469 1.00 45.50 C ATOM 0 H LEU A 20 5.070 -5.606 0.355 1.00 43.34 H new ATOM 0 HA LEU A 20 4.438 -2.994 -0.418 1.00 3.41 H new ATOM 0 HB2 LEU A 20 4.609 -4.307 2.328 1.00 15.33 H new ATOM 0 HB3 LEU A 20 3.851 -2.756 2.031 1.00 15.33 H new ATOM 0 HG LEU A 20 2.962 -5.311 0.663 1.00 53.11 H new ATOM 0 HD11 LEU A 20 1.121 -5.403 2.299 1.00 12.54 H new ATOM 0 HD12 LEU A 20 2.711 -5.603 3.074 1.00 12.54 H new ATOM 0 HD13 LEU A 20 1.854 -4.047 3.190 1.00 12.54 H new ATOM 0 HD21 LEU A 20 0.880 -4.035 0.258 1.00 45.50 H new ATOM 0 HD22 LEU A 20 1.607 -2.615 1.047 1.00 45.50 H new ATOM 0 HD23 LEU A 20 2.297 -3.240 -0.469 1.00 45.50 H new ATOM 325 N LYS A 21 7.174 -3.203 1.432 1.00 23.21 N ATOM 326 CA LYS A 21 8.395 -2.476 1.809 1.00 24.12 C ATOM 327 C LYS A 21 9.087 -1.860 0.583 1.00 74.43 C ATOM 328 O LYS A 21 9.399 -0.672 0.565 1.00 51.44 O ATOM 329 CB LYS A 21 9.374 -3.409 2.535 1.00 4.01 C ATOM 330 CG LYS A 21 8.884 -3.891 3.898 1.00 2.00 C ATOM 331 CD LYS A 21 9.869 -4.873 4.531 1.00 73.25 C ATOM 332 CE LYS A 21 9.450 -5.281 5.939 1.00 44.12 C ATOM 333 NZ LYS A 21 9.514 -4.143 6.895 1.00 13.24 N ATOM 0 H LYS A 21 7.159 -4.179 1.729 1.00 23.21 H new ATOM 0 HA LYS A 21 8.098 -1.668 2.478 1.00 24.12 H new ATOM 0 HB2 LYS A 21 9.568 -4.276 1.904 1.00 4.01 H new ATOM 0 HB3 LYS A 21 10.324 -2.890 2.665 1.00 4.01 H new ATOM 0 HG2 LYS A 21 8.745 -3.036 4.559 1.00 2.00 H new ATOM 0 HG3 LYS A 21 7.911 -4.370 3.788 1.00 2.00 H new ATOM 0 HD2 LYS A 21 9.946 -5.762 3.905 1.00 73.25 H new ATOM 0 HD3 LYS A 21 10.860 -4.420 4.565 1.00 73.25 H new ATOM 0 HE2 LYS A 21 8.434 -5.676 5.914 1.00 44.12 H new ATOM 0 HE3 LYS A 21 10.096 -6.085 6.290 1.00 44.12 H new ATOM 0 HZ1 LYS A 21 9.387 -4.497 7.865 1.00 13.24 H new ATOM 0 HZ2 LYS A 21 10.439 -3.675 6.816 1.00 13.24 H new ATOM 0 HZ3 LYS A 21 8.761 -3.461 6.674 1.00 13.24 H new ATOM 347 N ILE A 22 9.303 -2.674 -0.446 1.00 53.14 N ATOM 348 CA ILE A 22 10.006 -2.230 -1.657 1.00 33.45 C ATOM 349 C ILE A 22 9.304 -1.039 -2.337 1.00 24.35 C ATOM 350 O ILE A 22 9.935 -0.022 -2.636 1.00 11.41 O ATOM 351 CB ILE A 22 10.145 -3.392 -2.673 1.00 22.33 C ATOM 352 CG1 ILE A 22 10.919 -4.559 -2.036 1.00 32.52 C ATOM 353 CG2 ILE A 22 10.838 -2.918 -3.955 1.00 33.12 C ATOM 354 CD1 ILE A 22 11.029 -5.782 -2.921 1.00 20.11 C ATOM 0 H ILE A 22 9.002 -3.648 -0.470 1.00 53.14 H new ATOM 0 HA ILE A 22 10.996 -1.903 -1.338 1.00 33.45 H new ATOM 0 HB ILE A 22 9.147 -3.738 -2.942 1.00 22.33 H new ATOM 0 HG12 ILE A 22 11.922 -4.218 -1.778 1.00 32.52 H new ATOM 0 HG13 ILE A 22 10.429 -4.841 -1.104 1.00 32.52 H new ATOM 0 HG21 ILE A 22 10.924 -3.752 -4.652 1.00 33.12 H new ATOM 0 HG22 ILE A 22 10.251 -2.121 -4.413 1.00 33.12 H new ATOM 0 HG23 ILE A 22 11.833 -2.543 -3.714 1.00 33.12 H new ATOM 0 HD11 ILE A 22 11.588 -6.559 -2.400 1.00 20.11 H new ATOM 0 HD12 ILE A 22 10.031 -6.150 -3.158 1.00 20.11 H new ATOM 0 HD13 ILE A 22 11.547 -5.518 -3.843 1.00 20.11 H new ATOM 366 N HIS A 23 7.998 -1.163 -2.571 1.00 52.22 N ATOM 367 CA HIS A 23 7.239 -0.115 -3.270 1.00 50.41 C ATOM 368 C HIS A 23 6.976 1.109 -2.373 1.00 72.42 C ATOM 369 O HIS A 23 6.914 2.240 -2.862 1.00 1.31 O ATOM 370 CB HIS A 23 5.918 -0.678 -3.804 1.00 54.13 C ATOM 371 CG HIS A 23 6.106 -1.716 -4.873 1.00 41.52 C ATOM 372 ND1 HIS A 23 6.216 -3.064 -4.796 1.00 50.30 N flip ATOM 373 CD2 HIS A 23 6.209 -1.410 -6.214 1.00 54.25 C flip ATOM 374 CE1 HIS A 23 6.385 -3.536 -6.074 1.00 33.41 C flip ATOM 375 NE2 HIS A 23 6.374 -2.517 -6.907 1.00 33.33 N flip ATOM 0 H HIS A 23 7.442 -1.971 -2.291 1.00 52.22 H new ATOM 0 HA HIS A 23 7.850 0.222 -4.108 1.00 50.41 H new ATOM 0 HB2 HIS A 23 5.356 -1.114 -2.978 1.00 54.13 H new ATOM 0 HB3 HIS A 23 5.317 0.139 -4.202 1.00 54.13 H new ATOM 0 HD1 HIS A 23 6.180 -3.625 -3.945 1.00 50.30 H new ATOM 0 HD2 HIS A 23 6.162 -0.415 -6.631 1.00 54.25 H new ATOM 0 HE1 HIS A 23 6.507 -4.573 -6.350 1.00 33.41 H new ATOM 384 N SER A 24 6.830 0.889 -1.067 1.00 44.44 N ATOM 385 CA SER A 24 6.610 1.996 -0.123 1.00 51.14 C ATOM 386 C SER A 24 7.878 2.844 0.038 1.00 44.04 C ATOM 387 O SER A 24 7.805 4.060 0.211 1.00 74.22 O ATOM 388 CB SER A 24 6.158 1.473 1.247 1.00 52.11 C ATOM 389 OG SER A 24 7.189 0.738 1.886 1.00 74.25 O ATOM 0 H SER A 24 6.859 -0.035 -0.636 1.00 44.44 H new ATOM 0 HA SER A 24 5.820 2.623 -0.536 1.00 51.14 H new ATOM 0 HB2 SER A 24 5.861 2.311 1.878 1.00 52.11 H new ATOM 0 HB3 SER A 24 5.280 0.839 1.125 1.00 52.11 H new ATOM 0 HG SER A 24 7.786 0.356 1.209 1.00 74.25 H new ATOM 395 N ARG A 25 9.043 2.197 -0.045 1.00 25.02 N ATOM 396 CA ARG A 25 10.336 2.901 -0.020 1.00 41.44 C ATOM 397 C ARG A 25 10.559 3.733 -1.299 1.00 42.33 C ATOM 398 O ARG A 25 11.632 4.304 -1.502 1.00 1.51 O ATOM 399 CB ARG A 25 11.486 1.896 0.162 1.00 25.35 C ATOM 400 CG ARG A 25 11.538 1.261 1.550 1.00 73.44 C ATOM 401 CD ARG A 25 12.639 0.208 1.652 1.00 74.51 C ATOM 402 NE ARG A 25 12.755 -0.346 3.004 1.00 1.21 N ATOM 403 CZ ARG A 25 12.842 -1.622 3.271 1.00 33.03 C ATOM 404 NH1 ARG A 25 12.826 -2.497 2.316 1.00 63.54 N ATOM 405 NH2 ARG A 25 12.959 -2.015 4.495 1.00 30.53 N ATOM 0 H ARG A 25 9.122 1.184 -0.130 1.00 25.02 H new ATOM 0 HA ARG A 25 10.320 3.589 0.826 1.00 41.44 H new ATOM 0 HB2 ARG A 25 11.388 1.108 -0.584 1.00 25.35 H new ATOM 0 HB3 ARG A 25 12.432 2.402 -0.031 1.00 25.35 H new ATOM 0 HG2 ARG A 25 11.706 2.036 2.298 1.00 73.44 H new ATOM 0 HG3 ARG A 25 10.575 0.803 1.776 1.00 73.44 H new ATOM 0 HD2 ARG A 25 12.434 -0.598 0.948 1.00 74.51 H new ATOM 0 HD3 ARG A 25 13.591 0.652 1.361 1.00 74.51 H new ATOM 0 HE ARG A 25 12.769 0.307 3.787 1.00 1.21 H new ATOM 0 HH11 ARG A 25 12.745 -2.192 1.346 1.00 63.54 H new ATOM 0 HH12 ARG A 25 12.894 -3.491 2.534 1.00 63.54 H new ATOM 0 HH21 ARG A 25 12.983 -1.330 5.250 1.00 30.53 H new ATOM 0 HH22 ARG A 25 13.027 -3.010 4.707 1.00 30.53 H new ATOM 419 N LYS A 26 9.555 3.775 -2.175 1.00 64.33 N ATOM 420 CA LYS A 26 9.593 4.630 -3.367 1.00 40.54 C ATOM 421 C LYS A 26 8.627 5.818 -3.232 1.00 4.05 C ATOM 422 O LYS A 26 8.527 6.652 -4.131 1.00 42.04 O ATOM 423 CB LYS A 26 9.252 3.807 -4.623 1.00 20.20 C ATOM 424 CG LYS A 26 10.245 2.681 -4.939 1.00 33.24 C ATOM 425 CD LYS A 26 11.452 3.151 -5.765 1.00 34.32 C ATOM 426 CE LYS A 26 12.349 4.139 -5.023 1.00 43.11 C ATOM 427 NZ LYS A 26 12.901 3.571 -3.763 1.00 64.43 N ATOM 0 H LYS A 26 8.701 3.225 -2.083 1.00 64.33 H new ATOM 0 HA LYS A 26 10.603 5.027 -3.464 1.00 40.54 H new ATOM 0 HB2 LYS A 26 8.259 3.374 -4.499 1.00 20.20 H new ATOM 0 HB3 LYS A 26 9.201 4.480 -5.479 1.00 20.20 H new ATOM 0 HG2 LYS A 26 10.600 2.246 -4.005 1.00 33.24 H new ATOM 0 HG3 LYS A 26 9.727 1.891 -5.482 1.00 33.24 H new ATOM 0 HD2 LYS A 26 12.044 2.283 -6.056 1.00 34.32 H new ATOM 0 HD3 LYS A 26 11.095 3.616 -6.684 1.00 34.32 H new ATOM 0 HE2 LYS A 26 13.171 4.438 -5.674 1.00 43.11 H new ATOM 0 HE3 LYS A 26 11.780 5.040 -4.793 1.00 43.11 H new ATOM 0 HZ1 LYS A 26 12.448 4.031 -2.947 1.00 64.43 H new ATOM 0 HZ2 LYS A 26 12.714 2.548 -3.732 1.00 64.43 H new ATOM 0 HZ3 LYS A 26 13.927 3.737 -3.728 1.00 64.43 H new ATOM 441 N MET A 27 7.926 5.891 -2.100 1.00 34.51 N ATOM 442 CA MET A 27 6.955 6.965 -1.847 1.00 53.22 C ATOM 443 C MET A 27 7.157 7.565 -0.446 1.00 42.43 C ATOM 444 O MET A 27 7.528 6.862 0.493 1.00 61.12 O ATOM 445 CB MET A 27 5.519 6.433 -1.980 1.00 22.54 C ATOM 446 CG MET A 27 5.215 5.809 -3.338 1.00 53.41 C ATOM 447 SD MET A 27 3.517 5.209 -3.472 1.00 2.24 S ATOM 448 CE MET A 27 3.430 4.083 -2.080 1.00 31.21 C ATOM 0 H MET A 27 8.011 5.218 -1.339 1.00 34.51 H new ATOM 0 HA MET A 27 7.117 7.746 -2.590 1.00 53.22 H new ATOM 0 HB2 MET A 27 5.344 5.690 -1.202 1.00 22.54 H new ATOM 0 HB3 MET A 27 4.821 7.251 -1.802 1.00 22.54 H new ATOM 0 HG2 MET A 27 5.397 6.546 -4.120 1.00 53.41 H new ATOM 0 HG3 MET A 27 5.902 4.981 -3.514 1.00 53.41 H new ATOM 0 HE1 MET A 27 2.563 3.432 -2.192 1.00 31.21 H new ATOM 0 HE2 MET A 27 4.336 3.478 -2.044 1.00 31.21 H new ATOM 0 HE3 MET A 27 3.338 4.653 -1.156 1.00 31.21 H new ATOM 458 N ASN A 28 6.918 8.867 -0.311 1.00 53.12 N ATOM 459 CA ASN A 28 7.027 9.540 0.990 1.00 30.42 C ATOM 460 C ASN A 28 5.835 9.181 1.893 1.00 62.40 C ATOM 461 O ASN A 28 4.708 9.595 1.634 1.00 54.11 O ATOM 462 CB ASN A 28 7.097 11.059 0.792 1.00 1.12 C ATOM 463 CG ASN A 28 8.264 11.481 -0.081 1.00 73.54 C ATOM 464 OD1 ASN A 28 9.301 10.824 -0.121 1.00 54.41 O ATOM 465 ND2 ASN A 28 8.106 12.580 -0.791 1.00 23.31 N ATOM 0 H ASN A 28 6.648 9.479 -1.081 1.00 53.12 H new ATOM 0 HA ASN A 28 7.941 9.200 1.477 1.00 30.42 H new ATOM 0 HB2 ASN A 28 6.167 11.406 0.342 1.00 1.12 H new ATOM 0 HB3 ASN A 28 7.181 11.545 1.764 1.00 1.12 H new ATOM 0 HD21 ASN A 28 8.858 12.908 -1.397 1.00 23.31 H new ATOM 0 HD22 ASN A 28 7.232 13.102 -0.735 1.00 23.31 H new ATOM 472 N LEU A 29 6.089 8.413 2.949 1.00 61.01 N ATOM 473 CA LEU A 29 5.022 7.929 3.838 1.00 63.42 C ATOM 474 C LEU A 29 4.827 8.849 5.052 1.00 41.34 C ATOM 475 O LEU A 29 5.522 9.855 5.208 1.00 41.20 O ATOM 476 CB LEU A 29 5.364 6.514 4.330 1.00 62.21 C ATOM 477 CG LEU A 29 5.713 5.496 3.234 1.00 51.13 C ATOM 478 CD1 LEU A 29 6.133 4.169 3.860 1.00 33.54 C ATOM 479 CD2 LEU A 29 4.536 5.303 2.277 1.00 41.42 C ATOM 0 H LEU A 29 7.025 8.109 3.215 1.00 61.01 H new ATOM 0 HA LEU A 29 4.094 7.921 3.266 1.00 63.42 H new ATOM 0 HB2 LEU A 29 6.206 6.582 5.019 1.00 62.21 H new ATOM 0 HB3 LEU A 29 4.516 6.132 4.899 1.00 62.21 H new ATOM 0 HG LEU A 29 6.552 5.883 2.655 1.00 51.13 H new ATOM 0 HD11 LEU A 29 6.378 3.456 3.072 1.00 33.54 H new ATOM 0 HD12 LEU A 29 7.007 4.325 4.492 1.00 33.54 H new ATOM 0 HD13 LEU A 29 5.315 3.776 4.463 1.00 33.54 H new ATOM 0 HD21 LEU A 29 4.806 4.578 1.509 1.00 41.42 H new ATOM 0 HD22 LEU A 29 3.672 4.939 2.832 1.00 41.42 H new ATOM 0 HD23 LEU A 29 4.290 6.255 1.806 1.00 41.42 H new ATOM 491 N THR A 30 3.855 8.508 5.899 1.00 50.21 N ATOM 492 CA THR A 30 3.705 9.161 7.208 1.00 21.42 C ATOM 493 C THR A 30 4.634 8.508 8.244 1.00 32.43 C ATOM 494 O THR A 30 4.866 7.300 8.206 1.00 62.55 O ATOM 495 CB THR A 30 2.245 9.112 7.731 1.00 32.10 C ATOM 496 OG1 THR A 30 2.175 9.672 9.053 1.00 13.54 O ATOM 497 CG2 THR A 30 1.704 7.687 7.753 1.00 21.44 C ATOM 0 H THR A 30 3.160 7.786 5.707 1.00 50.21 H new ATOM 0 HA THR A 30 3.977 10.207 7.068 1.00 21.42 H new ATOM 0 HB THR A 30 1.631 9.699 7.048 1.00 32.10 H new ATOM 0 HG1 THR A 30 1.250 9.638 9.374 1.00 13.54 H new ATOM 0 HG21 THR A 30 0.679 7.692 8.125 1.00 21.44 H new ATOM 0 HG22 THR A 30 1.722 7.276 6.744 1.00 21.44 H new ATOM 0 HG23 THR A 30 2.324 7.073 8.406 1.00 21.44 H new ATOM 505 N ARG A 31 5.149 9.302 9.177 1.00 0.42 N ATOM 506 CA ARG A 31 6.183 8.830 10.111 1.00 32.05 C ATOM 507 C ARG A 31 5.651 7.829 11.156 1.00 10.02 C ATOM 508 O ARG A 31 6.433 7.215 11.884 1.00 54.10 O ATOM 509 CB ARG A 31 6.852 10.024 10.803 1.00 35.04 C ATOM 510 CG ARG A 31 7.606 10.930 9.837 1.00 60.05 C ATOM 511 CD ARG A 31 8.357 12.049 10.553 1.00 51.51 C ATOM 512 NE ARG A 31 7.463 13.010 11.201 1.00 33.41 N ATOM 513 CZ ARG A 31 7.640 14.306 11.168 1.00 13.42 C ATOM 514 NH1 ARG A 31 8.641 14.820 10.524 1.00 73.01 N ATOM 515 NH2 ARG A 31 6.818 15.090 11.783 1.00 30.35 N ATOM 0 H ARG A 31 4.873 10.274 9.312 1.00 0.42 H new ATOM 0 HA ARG A 31 6.919 8.288 9.517 1.00 32.05 H new ATOM 0 HB2 ARG A 31 6.092 10.608 11.321 1.00 35.04 H new ATOM 0 HB3 ARG A 31 7.543 9.656 11.561 1.00 35.04 H new ATOM 0 HG2 ARG A 31 8.313 10.333 9.260 1.00 60.05 H new ATOM 0 HG3 ARG A 31 6.902 11.365 9.127 1.00 60.05 H new ATOM 0 HD2 ARG A 31 9.019 11.614 11.302 1.00 51.51 H new ATOM 0 HD3 ARG A 31 8.988 12.574 9.835 1.00 51.51 H new ATOM 0 HE ARG A 31 6.655 12.648 11.708 1.00 33.41 H new ATOM 0 HH11 ARG A 31 9.300 14.213 10.037 1.00 73.01 H new ATOM 0 HH12 ARG A 31 8.770 15.832 10.505 1.00 73.01 H new ATOM 0 HH21 ARG A 31 6.028 14.699 12.296 1.00 30.35 H new ATOM 0 HH22 ARG A 31 6.959 16.100 11.755 1.00 30.35 H new ATOM 529 N GLY A 32 4.332 7.661 11.227 1.00 53.43 N ATOM 530 CA GLY A 32 3.743 6.686 12.147 1.00 1.33 C ATOM 531 C GLY A 32 3.067 5.518 11.428 1.00 75.33 C ATOM 532 O GLY A 32 2.189 4.855 11.988 1.00 72.13 O ATOM 0 H GLY A 32 3.656 8.180 10.666 1.00 53.43 H new ATOM 0 HA2 GLY A 32 4.521 6.299 12.805 1.00 1.33 H new ATOM 0 HA3 GLY A 32 3.011 7.188 12.780 1.00 1.33 H new ATOM 536 N ILE A 33 3.490 5.253 10.195 1.00 34.20 N ATOM 537 CA ILE A 33 2.847 4.235 9.357 1.00 0.35 C ATOM 538 C ILE A 33 3.259 2.800 9.752 1.00 43.13 C ATOM 539 O ILE A 33 4.422 2.531 10.059 1.00 51.21 O ATOM 540 CB ILE A 33 3.169 4.464 7.853 1.00 52.33 C ATOM 541 CG1 ILE A 33 2.276 3.579 6.964 1.00 23.35 C ATOM 542 CG2 ILE A 33 4.649 4.208 7.565 1.00 42.32 C ATOM 543 CD1 ILE A 33 2.503 3.770 5.476 1.00 23.44 C ATOM 0 H ILE A 33 4.276 5.728 9.750 1.00 34.20 H new ATOM 0 HA ILE A 33 1.775 4.338 9.522 1.00 0.35 H new ATOM 0 HB ILE A 33 2.957 5.507 7.617 1.00 52.33 H new ATOM 0 HG12 ILE A 33 2.452 2.533 7.217 1.00 23.35 H new ATOM 0 HG13 ILE A 33 1.231 3.790 7.192 1.00 23.35 H new ATOM 0 HG21 ILE A 33 4.848 4.375 6.506 1.00 42.32 H new ATOM 0 HG22 ILE A 33 5.258 4.888 8.160 1.00 42.32 H new ATOM 0 HG23 ILE A 33 4.897 3.178 7.823 1.00 42.32 H new ATOM 0 HD11 ILE A 33 1.837 3.112 4.919 1.00 23.44 H new ATOM 0 HD12 ILE A 33 2.298 4.806 5.207 1.00 23.44 H new ATOM 0 HD13 ILE A 33 3.538 3.530 5.232 1.00 23.44 H new ATOM 555 N ASN A 34 2.287 1.887 9.754 1.00 52.11 N ATOM 556 CA ASN A 34 2.558 0.459 9.966 1.00 63.05 C ATOM 557 C ASN A 34 2.184 -0.345 8.708 1.00 45.22 C ATOM 558 O ASN A 34 1.004 -0.482 8.376 1.00 4.32 O ATOM 559 CB ASN A 34 1.771 -0.060 11.180 1.00 44.44 C ATOM 560 CG ASN A 34 2.137 -1.486 11.568 1.00 30.20 C ATOM 561 OD1 ASN A 34 2.545 -2.292 10.738 1.00 42.34 O ATOM 562 ND2 ASN A 34 1.976 -1.815 12.831 1.00 54.32 N ATOM 0 H ASN A 34 1.302 2.109 9.611 1.00 52.11 H new ATOM 0 HA ASN A 34 3.623 0.332 10.161 1.00 63.05 H new ATOM 0 HB2 ASN A 34 1.951 0.598 12.030 1.00 44.44 H new ATOM 0 HB3 ASN A 34 0.704 -0.013 10.960 1.00 44.44 H new ATOM 0 HD21 ASN A 34 2.192 -2.762 13.143 1.00 54.32 H new ATOM 0 HD22 ASN A 34 1.635 -1.123 13.499 1.00 54.32 H new ATOM 569 N LEU A 35 3.191 -0.861 8.012 1.00 73.25 N ATOM 570 CA LEU A 35 2.972 -1.632 6.784 1.00 21.24 C ATOM 571 C LEU A 35 2.487 -3.060 7.080 1.00 13.45 C ATOM 572 O LEU A 35 1.727 -3.638 6.301 1.00 51.34 O ATOM 573 CB LEU A 35 4.263 -1.682 5.952 1.00 54.10 C ATOM 574 CG LEU A 35 4.774 -0.324 5.438 1.00 25.14 C ATOM 575 CD1 LEU A 35 6.095 -0.494 4.692 1.00 73.51 C ATOM 576 CD2 LEU A 35 3.732 0.343 4.541 1.00 22.13 C ATOM 0 H LEU A 35 4.172 -0.761 8.275 1.00 73.25 H new ATOM 0 HA LEU A 35 2.190 -1.126 6.217 1.00 21.24 H new ATOM 0 HB2 LEU A 35 5.046 -2.140 6.556 1.00 54.10 H new ATOM 0 HB3 LEU A 35 4.097 -2.336 5.096 1.00 54.10 H new ATOM 0 HG LEU A 35 4.946 0.322 6.299 1.00 25.14 H new ATOM 0 HD11 LEU A 35 6.440 0.477 4.337 1.00 73.51 H new ATOM 0 HD12 LEU A 35 6.840 -0.920 5.364 1.00 73.51 H new ATOM 0 HD13 LEU A 35 5.950 -1.161 3.842 1.00 73.51 H new ATOM 0 HD21 LEU A 35 4.114 1.301 4.189 1.00 22.13 H new ATOM 0 HD22 LEU A 35 3.523 -0.300 3.686 1.00 22.13 H new ATOM 0 HD23 LEU A 35 2.814 0.504 5.107 1.00 22.13 H new ATOM 588 N ARG A 36 2.916 -3.629 8.209 1.00 11.13 N ATOM 589 CA ARG A 36 2.538 -5.007 8.556 1.00 34.40 C ATOM 590 C ARG A 36 1.036 -5.098 8.874 1.00 14.52 C ATOM 591 O ARG A 36 0.377 -6.078 8.531 1.00 60.02 O ATOM 592 CB ARG A 36 3.366 -5.530 9.738 1.00 34.44 C ATOM 593 CG ARG A 36 3.283 -7.046 9.901 1.00 71.23 C ATOM 594 CD ARG A 36 4.084 -7.549 11.098 1.00 62.21 C ATOM 595 NE ARG A 36 3.495 -7.128 12.364 1.00 21.44 N ATOM 596 CZ ARG A 36 2.434 -7.673 12.897 1.00 51.10 C ATOM 597 NH1 ARG A 36 1.827 -8.659 12.308 1.00 2.11 N ATOM 598 NH2 ARG A 36 1.986 -7.233 14.028 1.00 52.33 N ATOM 0 H ARG A 36 3.517 -3.167 8.892 1.00 11.13 H new ATOM 0 HA ARG A 36 2.749 -5.635 7.690 1.00 34.40 H new ATOM 0 HB2 ARG A 36 4.408 -5.242 9.600 1.00 34.44 H new ATOM 0 HB3 ARG A 36 3.022 -5.052 10.655 1.00 34.44 H new ATOM 0 HG2 ARG A 36 2.240 -7.339 10.017 1.00 71.23 H new ATOM 0 HG3 ARG A 36 3.650 -7.526 8.994 1.00 71.23 H new ATOM 0 HD2 ARG A 36 4.138 -8.637 11.067 1.00 62.21 H new ATOM 0 HD3 ARG A 36 5.107 -7.177 11.032 1.00 62.21 H new ATOM 0 HE ARG A 36 3.940 -6.359 12.865 1.00 21.44 H new ATOM 0 HH11 ARG A 36 2.178 -9.016 11.419 1.00 2.11 H new ATOM 0 HH12 ARG A 36 1.000 -9.076 12.734 1.00 2.11 H new ATOM 0 HH21 ARG A 36 2.461 -6.463 14.500 1.00 52.33 H new ATOM 0 HH22 ARG A 36 1.158 -7.656 14.448 1.00 52.33 H new ATOM 612 N LYS A 37 0.508 -4.059 9.521 1.00 63.32 N ATOM 613 CA LYS A 37 -0.934 -3.945 9.767 1.00 41.33 C ATOM 614 C LYS A 37 -1.715 -4.044 8.447 1.00 63.43 C ATOM 615 O LYS A 37 -2.761 -4.693 8.371 1.00 45.43 O ATOM 616 CB LYS A 37 -1.232 -2.618 10.485 1.00 35.43 C ATOM 617 CG LYS A 37 -2.705 -2.366 10.806 1.00 63.31 C ATOM 618 CD LYS A 37 -3.310 -1.297 9.896 1.00 34.52 C ATOM 619 CE LYS A 37 -4.628 -0.773 10.450 1.00 23.24 C ATOM 620 NZ LYS A 37 -5.079 0.468 9.764 1.00 44.01 N ATOM 0 H LYS A 37 1.057 -3.281 9.886 1.00 63.32 H new ATOM 0 HA LYS A 37 -1.255 -4.768 10.406 1.00 41.33 H new ATOM 0 HB2 LYS A 37 -0.665 -2.592 11.415 1.00 35.43 H new ATOM 0 HB3 LYS A 37 -0.867 -1.799 9.866 1.00 35.43 H new ATOM 0 HG2 LYS A 37 -3.265 -3.295 10.697 1.00 63.31 H new ATOM 0 HG3 LYS A 37 -2.802 -2.055 11.846 1.00 63.31 H new ATOM 0 HD2 LYS A 37 -2.607 -0.472 9.785 1.00 34.52 H new ATOM 0 HD3 LYS A 37 -3.472 -1.713 8.902 1.00 34.52 H new ATOM 0 HE2 LYS A 37 -5.394 -1.541 10.345 1.00 23.24 H new ATOM 0 HE3 LYS A 37 -4.518 -0.576 11.516 1.00 23.24 H new ATOM 0 HZ1 LYS A 37 -6.040 0.709 10.080 1.00 44.01 H new ATOM 0 HZ2 LYS A 37 -4.432 1.248 9.997 1.00 44.01 H new ATOM 0 HZ3 LYS A 37 -5.081 0.315 8.735 1.00 44.01 H new ATOM 634 N ILE A 38 -1.185 -3.405 7.406 1.00 15.31 N ATOM 635 CA ILE A 38 -1.741 -3.530 6.056 1.00 60.11 C ATOM 636 C ILE A 38 -1.606 -4.975 5.539 1.00 11.41 C ATOM 637 O ILE A 38 -2.563 -5.550 5.022 1.00 25.40 O ATOM 638 CB ILE A 38 -1.039 -2.560 5.070 1.00 51.14 C ATOM 639 CG1 ILE A 38 -1.135 -1.113 5.580 1.00 24.12 C ATOM 640 CG2 ILE A 38 -1.635 -2.676 3.666 1.00 10.44 C ATOM 641 CD1 ILE A 38 -2.555 -0.617 5.752 1.00 21.25 C ATOM 0 H ILE A 38 -0.370 -2.794 7.469 1.00 15.31 H new ATOM 0 HA ILE A 38 -2.798 -3.269 6.113 1.00 60.11 H new ATOM 0 HB ILE A 38 0.013 -2.839 5.012 1.00 51.14 H new ATOM 0 HG12 ILE A 38 -0.617 -1.040 6.536 1.00 24.12 H new ATOM 0 HG13 ILE A 38 -0.613 -0.457 4.883 1.00 24.12 H new ATOM 0 HG21 ILE A 38 -1.124 -1.985 2.996 1.00 10.44 H new ATOM 0 HG22 ILE A 38 -1.510 -3.695 3.301 1.00 10.44 H new ATOM 0 HG23 ILE A 38 -2.696 -2.431 3.700 1.00 10.44 H new ATOM 0 HD11 ILE A 38 -2.540 0.411 6.114 1.00 21.25 H new ATOM 0 HD12 ILE A 38 -3.073 -0.656 4.794 1.00 21.25 H new ATOM 0 HD13 ILE A 38 -3.076 -1.248 6.472 1.00 21.25 H new ATOM 653 N ALA A 39 -0.415 -5.555 5.702 1.00 75.34 N ATOM 654 CA ALA A 39 -0.151 -6.940 5.280 1.00 50.55 C ATOM 655 C ALA A 39 -1.132 -7.937 5.928 1.00 55.34 C ATOM 656 O ALA A 39 -1.470 -8.964 5.337 1.00 64.02 O ATOM 657 CB ALA A 39 1.288 -7.323 5.609 1.00 43.25 C ATOM 0 H ALA A 39 0.387 -5.088 6.125 1.00 75.34 H new ATOM 0 HA ALA A 39 -0.300 -6.990 4.201 1.00 50.55 H new ATOM 0 HB1 ALA A 39 1.473 -8.350 5.293 1.00 43.25 H new ATOM 0 HB2 ALA A 39 1.971 -6.654 5.086 1.00 43.25 H new ATOM 0 HB3 ALA A 39 1.450 -7.240 6.684 1.00 43.25 H new ATOM 663 N GLU A 40 -1.574 -7.636 7.147 1.00 15.12 N ATOM 664 CA GLU A 40 -2.594 -8.445 7.823 1.00 21.41 C ATOM 665 C GLU A 40 -3.977 -8.250 7.176 1.00 42.43 C ATOM 666 O GLU A 40 -4.764 -9.194 7.074 1.00 4.42 O ATOM 667 CB GLU A 40 -2.656 -8.096 9.318 1.00 73.03 C ATOM 668 CG GLU A 40 -1.382 -8.435 10.084 1.00 50.42 C ATOM 669 CD GLU A 40 -1.500 -8.163 11.576 1.00 45.11 C ATOM 670 OE1 GLU A 40 -2.235 -8.904 12.262 1.00 15.53 O ATOM 671 OE2 GLU A 40 -0.869 -7.204 12.070 1.00 71.22 O ATOM 0 H GLU A 40 -1.244 -6.838 7.690 1.00 15.12 H new ATOM 0 HA GLU A 40 -2.312 -9.493 7.717 1.00 21.41 H new ATOM 0 HB2 GLU A 40 -2.860 -7.031 9.424 1.00 73.03 H new ATOM 0 HB3 GLU A 40 -3.493 -8.627 9.771 1.00 73.03 H new ATOM 0 HG2 GLU A 40 -1.140 -9.486 9.929 1.00 50.42 H new ATOM 0 HG3 GLU A 40 -0.554 -7.854 9.678 1.00 50.42 H new ATOM 678 N LEU A 41 -4.263 -7.025 6.736 1.00 54.41 N ATOM 679 CA LEU A 41 -5.528 -6.716 6.048 1.00 53.22 C ATOM 680 C LEU A 41 -5.523 -7.236 4.601 1.00 43.11 C ATOM 681 O LEU A 41 -6.576 -7.397 3.984 1.00 71.44 O ATOM 682 CB LEU A 41 -5.785 -5.202 6.063 1.00 42.43 C ATOM 683 CG LEU A 41 -5.936 -4.576 7.463 1.00 24.43 C ATOM 684 CD1 LEU A 41 -6.106 -3.060 7.369 1.00 14.30 C ATOM 685 CD2 LEU A 41 -7.113 -5.204 8.212 1.00 43.52 C ATOM 0 H LEU A 41 -3.638 -6.226 6.841 1.00 54.41 H new ATOM 0 HA LEU A 41 -6.331 -7.222 6.584 1.00 53.22 H new ATOM 0 HB2 LEU A 41 -4.963 -4.705 5.547 1.00 42.43 H new ATOM 0 HB3 LEU A 41 -6.690 -4.998 5.492 1.00 42.43 H new ATOM 0 HG LEU A 41 -5.024 -4.780 8.023 1.00 24.43 H new ATOM 0 HD11 LEU A 41 -6.211 -2.643 8.371 1.00 14.30 H new ATOM 0 HD12 LEU A 41 -5.232 -2.625 6.884 1.00 14.30 H new ATOM 0 HD13 LEU A 41 -6.997 -2.829 6.785 1.00 14.30 H new ATOM 0 HD21 LEU A 41 -7.202 -4.748 9.198 1.00 43.52 H new ATOM 0 HD22 LEU A 41 -8.032 -5.037 7.651 1.00 43.52 H new ATOM 0 HD23 LEU A 41 -6.945 -6.275 8.322 1.00 43.52 H new ATOM 697 N MET A 42 -4.331 -7.488 4.069 1.00 35.44 N ATOM 698 CA MET A 42 -4.185 -8.057 2.726 1.00 72.02 C ATOM 699 C MET A 42 -4.137 -9.593 2.774 1.00 43.45 C ATOM 700 O MET A 42 -3.196 -10.168 3.324 1.00 4.54 O ATOM 701 CB MET A 42 -2.909 -7.534 2.049 1.00 61.35 C ATOM 702 CG MET A 42 -2.863 -6.023 1.899 1.00 44.21 C ATOM 703 SD MET A 42 -1.425 -5.461 0.971 1.00 43.10 S ATOM 704 CE MET A 42 -1.722 -6.230 -0.621 1.00 74.15 C ATOM 0 H MET A 42 -3.448 -7.308 4.546 1.00 35.44 H new ATOM 0 HA MET A 42 -5.056 -7.748 2.147 1.00 72.02 H new ATOM 0 HB2 MET A 42 -2.044 -7.858 2.628 1.00 61.35 H new ATOM 0 HB3 MET A 42 -2.821 -7.989 1.063 1.00 61.35 H new ATOM 0 HG2 MET A 42 -3.769 -5.684 1.397 1.00 44.21 H new ATOM 0 HG3 MET A 42 -2.855 -5.564 2.888 1.00 44.21 H new ATOM 0 HE1 MET A 42 -1.275 -5.622 -1.408 1.00 74.15 H new ATOM 0 HE2 MET A 42 -1.276 -7.225 -0.633 1.00 74.15 H new ATOM 0 HE3 MET A 42 -2.796 -6.311 -0.791 1.00 74.15 H new ATOM 714 N PRO A 43 -5.168 -10.278 2.241 1.00 72.32 N ATOM 715 CA PRO A 43 -5.134 -11.742 2.031 1.00 23.33 C ATOM 716 C PRO A 43 -3.976 -12.189 1.110 1.00 53.22 C ATOM 717 O PRO A 43 -3.031 -11.436 0.859 1.00 52.11 O ATOM 718 CB PRO A 43 -6.501 -12.040 1.378 1.00 32.13 C ATOM 719 CG PRO A 43 -6.990 -10.719 0.876 1.00 23.55 C ATOM 720 CD PRO A 43 -6.469 -9.704 1.853 1.00 33.22 C ATOM 0 HA PRO A 43 -4.965 -12.281 2.963 1.00 23.33 H new ATOM 0 HB2 PRO A 43 -6.401 -12.758 0.564 1.00 32.13 H new ATOM 0 HB3 PRO A 43 -7.197 -12.470 2.099 1.00 32.13 H new ATOM 0 HG2 PRO A 43 -6.622 -10.520 -0.131 1.00 23.55 H new ATOM 0 HG3 PRO A 43 -8.079 -10.695 0.828 1.00 23.55 H new ATOM 0 HD2 PRO A 43 -6.359 -8.720 1.397 1.00 33.22 H new ATOM 0 HD3 PRO A 43 -7.133 -9.586 2.709 1.00 33.22 H new ATOM 728 N GLY A 44 -4.053 -13.416 0.602 1.00 43.42 N ATOM 729 CA GLY A 44 -3.003 -13.932 -0.268 1.00 2.23 C ATOM 730 C GLY A 44 -3.005 -13.295 -1.659 1.00 43.02 C ATOM 731 O GLY A 44 -3.375 -13.936 -2.641 1.00 4.25 O ATOM 0 H GLY A 44 -4.822 -14.064 0.775 1.00 43.42 H new ATOM 0 HA2 GLY A 44 -2.034 -13.761 0.202 1.00 2.23 H new ATOM 0 HA3 GLY A 44 -3.122 -15.011 -0.369 1.00 2.23 H new ATOM 735 N ALA A 45 -2.585 -12.034 -1.736 1.00 13.32 N ATOM 736 CA ALA A 45 -2.528 -11.302 -3.007 1.00 73.53 C ATOM 737 C ALA A 45 -1.200 -11.540 -3.746 1.00 42.11 C ATOM 738 O ALA A 45 -0.145 -11.695 -3.124 1.00 42.12 O ATOM 739 CB ALA A 45 -2.728 -9.810 -2.757 1.00 12.41 C ATOM 0 H ALA A 45 -2.276 -11.492 -0.929 1.00 13.32 H new ATOM 0 HA ALA A 45 -3.330 -11.677 -3.643 1.00 73.53 H new ATOM 0 HB1 ALA A 45 -2.684 -9.273 -3.705 1.00 12.41 H new ATOM 0 HB2 ALA A 45 -3.700 -9.646 -2.292 1.00 12.41 H new ATOM 0 HB3 ALA A 45 -1.943 -9.443 -2.096 1.00 12.41 H new ATOM 745 N SER A 46 -1.256 -11.565 -5.076 1.00 45.12 N ATOM 746 CA SER A 46 -0.049 -11.745 -5.902 1.00 2.41 C ATOM 747 C SER A 46 0.763 -10.443 -5.993 1.00 22.42 C ATOM 748 O SER A 46 0.263 -9.367 -5.660 1.00 33.23 O ATOM 749 CB SER A 46 -0.421 -12.218 -7.314 1.00 43.31 C ATOM 750 OG SER A 46 -1.171 -11.234 -8.011 1.00 64.21 O ATOM 0 H SER A 46 -2.119 -11.464 -5.610 1.00 45.12 H new ATOM 0 HA SER A 46 0.565 -12.506 -5.420 1.00 2.41 H new ATOM 0 HB2 SER A 46 0.486 -12.449 -7.872 1.00 43.31 H new ATOM 0 HB3 SER A 46 -0.999 -13.140 -7.250 1.00 43.31 H new ATOM 0 HG SER A 46 -2.092 -11.227 -7.677 1.00 64.21 H new ATOM 756 N GLY A 47 2.013 -10.550 -6.454 1.00 31.14 N ATOM 757 CA GLY A 47 2.896 -9.387 -6.558 1.00 62.34 C ATOM 758 C GLY A 47 2.260 -8.198 -7.280 1.00 3.11 C ATOM 759 O GLY A 47 2.316 -7.066 -6.795 1.00 11.12 O ATOM 0 H GLY A 47 2.434 -11.427 -6.760 1.00 31.14 H new ATOM 0 HA2 GLY A 47 3.193 -9.076 -5.556 1.00 62.34 H new ATOM 0 HA3 GLY A 47 3.805 -9.677 -7.085 1.00 62.34 H new ATOM 763 N ALA A 48 1.649 -8.459 -8.434 1.00 41.05 N ATOM 764 CA ALA A 48 0.968 -7.416 -9.212 1.00 71.23 C ATOM 765 C ALA A 48 -0.136 -6.717 -8.397 1.00 70.44 C ATOM 766 O ALA A 48 -0.274 -5.495 -8.441 1.00 42.05 O ATOM 767 CB ALA A 48 0.390 -8.012 -10.491 1.00 55.41 C ATOM 0 H ALA A 48 1.610 -9.387 -8.856 1.00 41.05 H new ATOM 0 HA ALA A 48 1.708 -6.658 -9.470 1.00 71.23 H new ATOM 0 HB1 ALA A 48 -0.113 -7.231 -11.061 1.00 55.41 H new ATOM 0 HB2 ALA A 48 1.195 -8.438 -11.090 1.00 55.41 H new ATOM 0 HB3 ALA A 48 -0.326 -8.794 -10.237 1.00 55.41 H new ATOM 773 N GLU A 49 -0.908 -7.502 -7.645 1.00 44.33 N ATOM 774 CA GLU A 49 -2.005 -6.967 -6.827 1.00 11.10 C ATOM 775 C GLU A 49 -1.473 -6.150 -5.638 1.00 20.34 C ATOM 776 O GLU A 49 -1.984 -5.070 -5.334 1.00 24.32 O ATOM 777 CB GLU A 49 -2.894 -8.118 -6.332 1.00 73.23 C ATOM 778 CG GLU A 49 -3.524 -8.923 -7.463 1.00 24.00 C ATOM 779 CD GLU A 49 -4.339 -10.107 -6.969 1.00 53.25 C ATOM 780 OE1 GLU A 49 -3.733 -11.151 -6.639 1.00 3.12 O ATOM 781 OE2 GLU A 49 -5.582 -10.007 -6.930 1.00 72.03 O ATOM 0 H GLU A 49 -0.796 -8.514 -7.583 1.00 44.33 H new ATOM 0 HA GLU A 49 -2.598 -6.296 -7.448 1.00 11.10 H new ATOM 0 HB2 GLU A 49 -2.299 -8.785 -5.708 1.00 73.23 H new ATOM 0 HB3 GLU A 49 -3.684 -7.712 -5.701 1.00 73.23 H new ATOM 0 HG2 GLU A 49 -4.166 -8.269 -8.053 1.00 24.00 H new ATOM 0 HG3 GLU A 49 -2.738 -9.282 -8.127 1.00 24.00 H new ATOM 788 N VAL A 50 -0.441 -6.668 -4.968 1.00 72.22 N ATOM 789 CA VAL A 50 0.213 -5.941 -3.871 1.00 24.44 C ATOM 790 C VAL A 50 0.809 -4.618 -4.378 1.00 44.24 C ATOM 791 O VAL A 50 0.738 -3.582 -3.708 1.00 22.54 O ATOM 792 CB VAL A 50 1.329 -6.790 -3.209 1.00 24.45 C ATOM 793 CG1 VAL A 50 1.962 -6.044 -2.036 1.00 35.42 C ATOM 794 CG2 VAL A 50 0.786 -8.144 -2.754 1.00 53.10 C ATOM 0 H VAL A 50 -0.039 -7.585 -5.163 1.00 72.22 H new ATOM 0 HA VAL A 50 -0.551 -5.732 -3.122 1.00 24.44 H new ATOM 0 HB VAL A 50 2.102 -6.965 -3.957 1.00 24.45 H new ATOM 0 HG11 VAL A 50 2.741 -6.662 -1.590 1.00 35.42 H new ATOM 0 HG12 VAL A 50 2.398 -5.110 -2.391 1.00 35.42 H new ATOM 0 HG13 VAL A 50 1.199 -5.827 -1.289 1.00 35.42 H new ATOM 0 HG21 VAL A 50 1.588 -8.721 -2.293 1.00 53.10 H new ATOM 0 HG22 VAL A 50 -0.014 -7.990 -2.029 1.00 53.10 H new ATOM 0 HG23 VAL A 50 0.396 -8.688 -3.615 1.00 53.10 H new ATOM 804 N LYS A 51 1.396 -4.667 -5.575 1.00 63.34 N ATOM 805 CA LYS A 51 1.871 -3.461 -6.257 1.00 52.54 C ATOM 806 C LYS A 51 0.697 -2.517 -6.553 1.00 61.01 C ATOM 807 O LYS A 51 0.814 -1.297 -6.415 1.00 0.41 O ATOM 808 CB LYS A 51 2.576 -3.832 -7.569 1.00 61.12 C ATOM 809 CG LYS A 51 3.076 -2.626 -8.367 1.00 32.24 C ATOM 810 CD LYS A 51 3.485 -3.007 -9.785 1.00 25.11 C ATOM 811 CE LYS A 51 2.315 -3.601 -10.562 1.00 5.00 C ATOM 812 NZ LYS A 51 2.653 -3.857 -11.983 1.00 20.35 N ATOM 0 H LYS A 51 1.554 -5.531 -6.094 1.00 63.34 H new ATOM 0 HA LYS A 51 2.580 -2.954 -5.602 1.00 52.54 H new ATOM 0 HB2 LYS A 51 3.421 -4.482 -7.344 1.00 61.12 H new ATOM 0 HB3 LYS A 51 1.888 -4.406 -8.190 1.00 61.12 H new ATOM 0 HG2 LYS A 51 2.293 -1.868 -8.407 1.00 32.24 H new ATOM 0 HG3 LYS A 51 3.927 -2.179 -7.853 1.00 32.24 H new ATOM 0 HD2 LYS A 51 3.860 -2.126 -10.306 1.00 25.11 H new ATOM 0 HD3 LYS A 51 4.302 -3.727 -9.748 1.00 25.11 H new ATOM 0 HE2 LYS A 51 2.006 -4.534 -10.091 1.00 5.00 H new ATOM 0 HE3 LYS A 51 1.465 -2.921 -10.510 1.00 5.00 H new ATOM 0 HZ1 LYS A 51 1.827 -4.260 -12.469 1.00 20.35 H new ATOM 0 HZ2 LYS A 51 2.923 -2.964 -12.442 1.00 20.35 H new ATOM 0 HZ3 LYS A 51 3.447 -4.527 -12.036 1.00 20.35 H new ATOM 826 N GLY A 52 -0.430 -3.094 -6.974 1.00 73.32 N ATOM 827 CA GLY A 52 -1.635 -2.313 -7.224 1.00 3.34 C ATOM 828 C GLY A 52 -2.091 -1.523 -6.004 1.00 33.33 C ATOM 829 O GLY A 52 -2.408 -0.341 -6.109 1.00 74.53 O ATOM 0 H GLY A 52 -0.530 -4.094 -7.147 1.00 73.32 H new ATOM 0 HA2 GLY A 52 -1.451 -1.625 -8.049 1.00 3.34 H new ATOM 0 HA3 GLY A 52 -2.437 -2.981 -7.539 1.00 3.34 H new ATOM 833 N VAL A 53 -2.113 -2.178 -4.844 1.00 63.22 N ATOM 834 CA VAL A 53 -2.461 -1.512 -3.580 1.00 63.15 C ATOM 835 C VAL A 53 -1.531 -0.320 -3.300 1.00 74.42 C ATOM 836 O VAL A 53 -1.990 0.781 -2.996 1.00 0.15 O ATOM 837 CB VAL A 53 -2.402 -2.504 -2.388 1.00 22.33 C ATOM 838 CG1 VAL A 53 -2.666 -1.791 -1.061 1.00 35.14 C ATOM 839 CG2 VAL A 53 -3.394 -3.646 -2.595 1.00 73.52 C ATOM 0 H VAL A 53 -1.895 -3.170 -4.749 1.00 63.22 H new ATOM 0 HA VAL A 53 -3.482 -1.144 -3.685 1.00 63.15 H new ATOM 0 HB VAL A 53 -1.396 -2.922 -2.346 1.00 22.33 H new ATOM 0 HG11 VAL A 53 -2.618 -2.512 -0.245 1.00 35.14 H new ATOM 0 HG12 VAL A 53 -1.913 -1.018 -0.907 1.00 35.14 H new ATOM 0 HG13 VAL A 53 -3.655 -1.334 -1.084 1.00 35.14 H new ATOM 0 HG21 VAL A 53 -3.340 -4.333 -1.750 1.00 73.52 H new ATOM 0 HG22 VAL A 53 -4.404 -3.242 -2.670 1.00 73.52 H new ATOM 0 HG23 VAL A 53 -3.148 -4.180 -3.513 1.00 73.52 H new ATOM 849 N CYS A 54 -0.222 -0.548 -3.420 1.00 75.14 N ATOM 850 CA CYS A 54 0.775 0.515 -3.221 1.00 23.41 C ATOM 851 C CYS A 54 0.558 1.673 -4.208 1.00 22.14 C ATOM 852 O CYS A 54 0.641 2.848 -3.842 1.00 20.22 O ATOM 853 CB CYS A 54 2.195 -0.042 -3.394 1.00 62.11 C ATOM 854 SG CYS A 54 2.616 -1.386 -2.259 1.00 35.31 S ATOM 0 H CYS A 54 0.176 -1.458 -3.654 1.00 75.14 H new ATOM 0 HA CYS A 54 0.654 0.894 -2.206 1.00 23.41 H new ATOM 0 HB2 CYS A 54 2.310 -0.398 -4.418 1.00 62.11 H new ATOM 0 HB3 CYS A 54 2.909 0.770 -3.257 1.00 62.11 H new ATOM 0 HG CYS A 54 1.992 -2.468 -2.618 1.00 35.31 H new ATOM 860 N THR A 55 0.278 1.326 -5.464 1.00 41.14 N ATOM 861 CA THR A 55 0.043 2.318 -6.521 1.00 54.40 C ATOM 862 C THR A 55 -1.237 3.125 -6.264 1.00 54.22 C ATOM 863 O THR A 55 -1.236 4.352 -6.359 1.00 40.32 O ATOM 864 CB THR A 55 -0.044 1.642 -7.911 1.00 53.42 C ATOM 865 OG1 THR A 55 1.164 0.898 -8.165 1.00 1.12 O ATOM 866 CG2 THR A 55 -0.255 2.672 -9.021 1.00 42.01 C ATOM 0 H THR A 55 0.207 0.358 -5.779 1.00 41.14 H new ATOM 0 HA THR A 55 0.893 3.000 -6.509 1.00 54.40 H new ATOM 0 HB THR A 55 -0.901 0.969 -7.906 1.00 53.42 H new ATOM 0 HG1 THR A 55 1.182 0.100 -7.597 1.00 1.12 H new ATOM 0 HG21 THR A 55 -0.312 2.163 -9.983 1.00 42.01 H new ATOM 0 HG22 THR A 55 -1.183 3.215 -8.842 1.00 42.01 H new ATOM 0 HG23 THR A 55 0.579 3.373 -9.030 1.00 42.01 H new ATOM 874 N GLU A 56 -2.327 2.431 -5.935 1.00 32.25 N ATOM 875 CA GLU A 56 -3.596 3.092 -5.605 1.00 54.10 C ATOM 876 C GLU A 56 -3.449 4.017 -4.388 1.00 62.22 C ATOM 877 O GLU A 56 -4.016 5.109 -4.360 1.00 31.12 O ATOM 878 CB GLU A 56 -4.698 2.052 -5.357 1.00 42.44 C ATOM 879 CG GLU A 56 -5.187 1.361 -6.627 1.00 42.53 C ATOM 880 CD GLU A 56 -5.934 2.305 -7.560 1.00 21.34 C ATOM 881 OE1 GLU A 56 -5.288 2.969 -8.403 1.00 14.32 O ATOM 882 OE2 GLU A 56 -7.174 2.393 -7.454 1.00 65.00 O ATOM 0 H GLU A 56 -2.360 1.413 -5.889 1.00 32.25 H new ATOM 0 HA GLU A 56 -3.880 3.707 -6.459 1.00 54.10 H new ATOM 0 HB2 GLU A 56 -4.324 1.298 -4.665 1.00 42.44 H new ATOM 0 HB3 GLU A 56 -5.543 2.540 -4.871 1.00 42.44 H new ATOM 0 HG2 GLU A 56 -4.334 0.935 -7.155 1.00 42.53 H new ATOM 0 HG3 GLU A 56 -5.841 0.532 -6.356 1.00 42.53 H new ATOM 889 N ALA A 57 -2.680 3.578 -3.392 1.00 61.14 N ATOM 890 CA ALA A 57 -2.361 4.422 -2.234 1.00 53.20 C ATOM 891 C ALA A 57 -1.715 5.741 -2.686 1.00 3.21 C ATOM 892 O ALA A 57 -2.110 6.828 -2.250 1.00 64.24 O ATOM 893 CB ALA A 57 -1.439 3.674 -1.276 1.00 41.44 C ATOM 0 H ALA A 57 -2.266 2.646 -3.361 1.00 61.14 H new ATOM 0 HA ALA A 57 -3.288 4.659 -1.712 1.00 53.20 H new ATOM 0 HB1 ALA A 57 -1.209 4.310 -0.421 1.00 41.44 H new ATOM 0 HB2 ALA A 57 -1.933 2.766 -0.930 1.00 41.44 H new ATOM 0 HB3 ALA A 57 -0.515 3.411 -1.791 1.00 41.44 H new ATOM 899 N GLY A 58 -0.731 5.634 -3.581 1.00 45.44 N ATOM 900 CA GLY A 58 -0.119 6.816 -4.175 1.00 42.30 C ATOM 901 C GLY A 58 -1.116 7.641 -4.988 1.00 33.14 C ATOM 902 O GLY A 58 -1.033 8.869 -5.028 1.00 54.34 O ATOM 0 H GLY A 58 -0.346 4.747 -3.906 1.00 45.44 H new ATOM 0 HA2 GLY A 58 0.305 7.438 -3.386 1.00 42.30 H new ATOM 0 HA3 GLY A 58 0.706 6.510 -4.819 1.00 42.30 H new ATOM 906 N MET A 59 -2.067 6.961 -5.632 1.00 64.05 N ATOM 907 CA MET A 59 -3.130 7.633 -6.392 1.00 22.23 C ATOM 908 C MET A 59 -4.011 8.489 -5.470 1.00 31.43 C ATOM 909 O MET A 59 -4.370 9.613 -5.818 1.00 73.50 O ATOM 910 CB MET A 59 -4.001 6.610 -7.137 1.00 31.11 C ATOM 911 CG MET A 59 -3.272 5.810 -8.220 1.00 61.32 C ATOM 912 SD MET A 59 -3.326 6.595 -9.853 1.00 33.24 S ATOM 913 CE MET A 59 -2.287 8.037 -9.610 1.00 50.32 C ATOM 0 H MET A 59 -2.125 5.943 -5.644 1.00 64.05 H new ATOM 0 HA MET A 59 -2.649 8.285 -7.121 1.00 22.23 H new ATOM 0 HB2 MET A 59 -4.419 5.913 -6.411 1.00 31.11 H new ATOM 0 HB3 MET A 59 -4.840 7.134 -7.595 1.00 31.11 H new ATOM 0 HG2 MET A 59 -2.232 5.676 -7.924 1.00 61.32 H new ATOM 0 HG3 MET A 59 -3.715 4.816 -8.288 1.00 61.32 H new ATOM 0 HE1 MET A 59 -1.844 8.331 -10.562 1.00 50.32 H new ATOM 0 HE2 MET A 59 -2.889 8.858 -9.221 1.00 50.32 H new ATOM 0 HE3 MET A 59 -1.495 7.800 -8.899 1.00 50.32 H new ATOM 923 N TYR A 60 -4.349 7.950 -4.294 1.00 44.12 N ATOM 924 CA TYR A 60 -5.146 8.689 -3.306 1.00 30.34 C ATOM 925 C TYR A 60 -4.400 9.943 -2.825 1.00 31.22 C ATOM 926 O TYR A 60 -5.012 10.965 -2.516 1.00 61.13 O ATOM 927 CB TYR A 60 -5.498 7.793 -2.108 1.00 61.11 C ATOM 928 CG TYR A 60 -6.343 6.586 -2.472 1.00 32.43 C ATOM 929 CD1 TYR A 60 -7.519 6.729 -3.203 1.00 2.51 C ATOM 930 CD2 TYR A 60 -5.959 5.301 -2.096 1.00 12.04 C ATOM 931 CE1 TYR A 60 -8.282 5.632 -3.548 1.00 24.41 C ATOM 932 CE2 TYR A 60 -6.716 4.199 -2.442 1.00 31.25 C ATOM 933 CZ TYR A 60 -7.877 4.369 -3.165 1.00 10.10 C ATOM 934 OH TYR A 60 -8.630 3.273 -3.520 1.00 32.11 O ATOM 0 H TYR A 60 -4.085 7.009 -4.003 1.00 44.12 H new ATOM 0 HA TYR A 60 -6.070 9.001 -3.792 1.00 30.34 H new ATOM 0 HB2 TYR A 60 -4.575 7.451 -1.639 1.00 61.11 H new ATOM 0 HB3 TYR A 60 -6.031 8.387 -1.366 1.00 61.11 H new ATOM 0 HD1 TYR A 60 -7.840 7.715 -3.505 1.00 2.51 H new ATOM 0 HD2 TYR A 60 -5.053 5.164 -1.524 1.00 12.04 H new ATOM 0 HE1 TYR A 60 -9.192 5.761 -4.115 1.00 24.41 H new ATOM 0 HE2 TYR A 60 -6.400 3.209 -2.148 1.00 31.25 H new ATOM 0 HH TYR A 60 -8.045 2.493 -3.622 1.00 32.11 H new ATOM 944 N ALA A 61 -3.074 9.856 -2.774 1.00 33.31 N ATOM 945 CA ALA A 61 -2.239 11.009 -2.439 1.00 41.23 C ATOM 946 C ALA A 61 -2.220 12.041 -3.582 1.00 0.45 C ATOM 947 O ALA A 61 -2.520 13.220 -3.378 1.00 40.05 O ATOM 948 CB ALA A 61 -0.821 10.553 -2.109 1.00 4.10 C ATOM 0 H ALA A 61 -2.553 8.999 -2.960 1.00 33.31 H new ATOM 0 HA ALA A 61 -2.670 11.493 -1.563 1.00 41.23 H new ATOM 0 HB1 ALA A 61 -0.208 11.420 -1.861 1.00 4.10 H new ATOM 0 HB2 ALA A 61 -0.847 9.872 -1.259 1.00 4.10 H new ATOM 0 HB3 ALA A 61 -0.393 10.041 -2.971 1.00 4.10 H new ATOM 954 N LEU A 62 -1.882 11.584 -4.787 1.00 35.15 N ATOM 955 CA LEU A 62 -1.754 12.471 -5.955 1.00 23.01 C ATOM 956 C LEU A 62 -3.062 13.212 -6.287 1.00 4.34 C ATOM 957 O LEU A 62 -3.037 14.407 -6.595 1.00 24.12 O ATOM 958 CB LEU A 62 -1.273 11.673 -7.176 1.00 63.12 C ATOM 959 CG LEU A 62 0.118 11.028 -7.030 1.00 3.25 C ATOM 960 CD1 LEU A 62 0.486 10.232 -8.279 1.00 31.30 C ATOM 961 CD2 LEU A 62 1.179 12.088 -6.731 1.00 10.24 C ATOM 0 H LEU A 62 -1.690 10.602 -4.986 1.00 35.15 H new ATOM 0 HA LEU A 62 -1.015 13.230 -5.698 1.00 23.01 H new ATOM 0 HB2 LEU A 62 -2.000 10.888 -7.387 1.00 63.12 H new ATOM 0 HB3 LEU A 62 -1.260 12.336 -8.041 1.00 63.12 H new ATOM 0 HG LEU A 62 0.081 10.336 -6.189 1.00 3.25 H new ATOM 0 HD11 LEU A 62 1.473 9.787 -8.149 1.00 31.30 H new ATOM 0 HD12 LEU A 62 -0.250 9.443 -8.438 1.00 31.30 H new ATOM 0 HD13 LEU A 62 0.498 10.896 -9.143 1.00 31.30 H new ATOM 0 HD21 LEU A 62 2.153 11.610 -6.632 1.00 10.24 H new ATOM 0 HD22 LEU A 62 1.211 12.811 -7.546 1.00 10.24 H new ATOM 0 HD23 LEU A 62 0.930 12.600 -5.802 1.00 10.24 H new ATOM 973 N ARG A 63 -4.199 12.515 -6.215 1.00 22.10 N ATOM 974 CA ARG A 63 -5.502 13.130 -6.524 1.00 40.33 C ATOM 975 C ARG A 63 -5.819 14.315 -5.593 1.00 63.41 C ATOM 976 O ARG A 63 -6.605 15.194 -5.943 1.00 31.22 O ATOM 977 CB ARG A 63 -6.632 12.091 -6.445 1.00 11.52 C ATOM 978 CG ARG A 63 -6.774 11.428 -5.076 1.00 74.43 C ATOM 979 CD ARG A 63 -7.985 10.501 -5.011 1.00 23.34 C ATOM 980 NE ARG A 63 -9.240 11.248 -5.047 1.00 62.33 N ATOM 981 CZ ARG A 63 -10.361 10.796 -5.539 1.00 4.04 C ATOM 982 NH1 ARG A 63 -10.426 9.617 -6.074 1.00 21.11 N ATOM 983 NH2 ARG A 63 -11.420 11.536 -5.489 1.00 62.40 N ATOM 0 H ARG A 63 -4.249 11.532 -5.948 1.00 22.10 H new ATOM 0 HA ARG A 63 -5.435 13.511 -7.543 1.00 40.33 H new ATOM 0 HB2 ARG A 63 -7.574 12.574 -6.702 1.00 11.52 H new ATOM 0 HB3 ARG A 63 -6.455 11.319 -7.194 1.00 11.52 H new ATOM 0 HG2 ARG A 63 -5.871 10.860 -4.853 1.00 74.43 H new ATOM 0 HG3 ARG A 63 -6.865 12.197 -4.309 1.00 74.43 H new ATOM 0 HD2 ARG A 63 -7.953 9.802 -5.847 1.00 23.34 H new ATOM 0 HD3 ARG A 63 -7.941 9.908 -4.098 1.00 23.34 H new ATOM 0 HE ARG A 63 -9.240 12.191 -4.659 1.00 62.33 H new ATOM 0 HH11 ARG A 63 -9.594 9.029 -6.115 1.00 21.11 H new ATOM 0 HH12 ARG A 63 -11.309 9.278 -6.454 1.00 21.11 H new ATOM 0 HH21 ARG A 63 -11.374 12.464 -5.068 1.00 62.40 H new ATOM 0 HH22 ARG A 63 -12.301 11.192 -5.871 1.00 62.40 H new ATOM 997 N GLU A 64 -5.212 14.330 -4.408 1.00 44.15 N ATOM 998 CA GLU A 64 -5.397 15.435 -3.457 1.00 4.41 C ATOM 999 C GLU A 64 -4.149 16.333 -3.387 1.00 1.01 C ATOM 1000 O GLU A 64 -4.010 17.150 -2.472 1.00 14.31 O ATOM 1001 CB GLU A 64 -5.724 14.879 -2.064 1.00 42.01 C ATOM 1002 CG GLU A 64 -7.049 14.121 -1.995 1.00 51.31 C ATOM 1003 CD GLU A 64 -7.366 13.595 -0.601 1.00 72.32 C ATOM 1004 OE1 GLU A 64 -6.771 14.085 0.383 1.00 21.24 O ATOM 1005 OE2 GLU A 64 -8.202 12.676 -0.479 1.00 41.55 O ATOM 0 H GLU A 64 -4.588 13.593 -4.080 1.00 44.15 H new ATOM 0 HA GLU A 64 -6.229 16.045 -3.809 1.00 4.41 H new ATOM 0 HB2 GLU A 64 -4.919 14.214 -1.751 1.00 42.01 H new ATOM 0 HB3 GLU A 64 -5.751 15.704 -1.352 1.00 42.01 H new ATOM 0 HG2 GLU A 64 -7.855 14.780 -2.320 1.00 51.31 H new ATOM 0 HG3 GLU A 64 -7.019 13.285 -2.694 1.00 51.31 H new ATOM 1012 N ARG A 65 -3.251 16.174 -4.363 1.00 53.15 N ATOM 1013 CA ARG A 65 -1.999 16.951 -4.435 1.00 24.24 C ATOM 1014 C ARG A 65 -1.087 16.723 -3.214 1.00 12.35 C ATOM 1015 O ARG A 65 -0.222 17.551 -2.918 1.00 72.43 O ATOM 1016 CB ARG A 65 -2.296 18.457 -4.586 1.00 62.50 C ATOM 1017 CG ARG A 65 -2.896 18.861 -5.931 1.00 74.12 C ATOM 1018 CD ARG A 65 -2.009 18.439 -7.100 1.00 72.41 C ATOM 1019 NE ARG A 65 -2.372 19.103 -8.352 1.00 35.20 N ATOM 1020 CZ ARG A 65 -3.367 18.753 -9.125 1.00 73.03 C ATOM 1021 NH1 ARG A 65 -4.185 17.812 -8.777 1.00 73.40 N ATOM 1022 NH2 ARG A 65 -3.546 19.374 -10.244 1.00 5.11 N ATOM 0 H ARG A 65 -3.366 15.507 -5.126 1.00 53.15 H new ATOM 0 HA ARG A 65 -1.466 16.593 -5.316 1.00 24.24 H new ATOM 0 HB2 ARG A 65 -2.981 18.759 -3.793 1.00 62.50 H new ATOM 0 HB3 ARG A 65 -1.370 19.012 -4.436 1.00 62.50 H new ATOM 0 HG2 ARG A 65 -3.881 18.407 -6.040 1.00 74.12 H new ATOM 0 HG3 ARG A 65 -3.039 19.941 -5.955 1.00 74.12 H new ATOM 0 HD2 ARG A 65 -0.969 18.664 -6.862 1.00 72.41 H new ATOM 0 HD3 ARG A 65 -2.079 17.359 -7.233 1.00 72.41 H new ATOM 0 HE ARG A 65 -1.806 19.900 -8.644 1.00 35.20 H new ATOM 0 HH11 ARG A 65 -4.059 17.330 -7.887 1.00 73.40 H new ATOM 0 HH12 ARG A 65 -4.956 17.552 -9.393 1.00 73.40 H new ATOM 0 HH21 ARG A 65 -2.915 20.128 -10.516 1.00 5.11 H new ATOM 0 HH22 ARG A 65 -4.318 19.110 -10.856 1.00 5.11 H new ATOM 1036 N ARG A 66 -1.263 15.599 -2.521 1.00 65.01 N ATOM 1037 CA ARG A 66 -0.432 15.283 -1.351 1.00 54.41 C ATOM 1038 C ARG A 66 1.018 14.981 -1.764 1.00 4.21 C ATOM 1039 O ARG A 66 1.283 14.549 -2.888 1.00 21.22 O ATOM 1040 CB ARG A 66 -0.975 14.068 -0.583 1.00 64.41 C ATOM 1041 CG ARG A 66 -2.452 14.133 -0.205 1.00 70.51 C ATOM 1042 CD ARG A 66 -2.829 12.938 0.669 1.00 72.31 C ATOM 1043 NE ARG A 66 -4.269 12.705 0.740 1.00 52.13 N ATOM 1044 CZ ARG A 66 -4.802 11.516 0.872 1.00 72.13 C ATOM 1045 NH1 ARG A 66 -4.049 10.467 0.930 1.00 30.54 N ATOM 1046 NH2 ARG A 66 -6.083 11.376 0.944 1.00 62.30 N ATOM 0 H ARG A 66 -1.966 14.895 -2.744 1.00 65.01 H new ATOM 0 HA ARG A 66 -0.459 16.162 -0.708 1.00 54.41 H new ATOM 0 HB2 ARG A 66 -0.812 13.176 -1.188 1.00 64.41 H new ATOM 0 HB3 ARG A 66 -0.390 13.946 0.329 1.00 64.41 H new ATOM 0 HG2 ARG A 66 -2.657 15.061 0.328 1.00 70.51 H new ATOM 0 HG3 ARG A 66 -3.065 14.141 -1.106 1.00 70.51 H new ATOM 0 HD2 ARG A 66 -2.342 12.044 0.279 1.00 72.31 H new ATOM 0 HD3 ARG A 66 -2.444 13.098 1.676 1.00 72.31 H new ATOM 0 HE ARG A 66 -4.892 13.510 0.684 1.00 52.13 H new ATOM 0 HH11 ARG A 66 -3.035 10.563 0.873 1.00 30.54 H new ATOM 0 HH12 ARG A 66 -4.469 9.543 1.033 1.00 30.54 H new ATOM 0 HH21 ARG A 66 -6.689 12.195 0.898 1.00 62.30 H new ATOM 0 HH22 ARG A 66 -6.489 10.446 1.047 1.00 62.30 H new ATOM 1060 N VAL A 67 1.949 15.215 -0.849 1.00 73.33 N ATOM 1061 CA VAL A 67 3.348 14.822 -1.044 1.00 1.13 C ATOM 1062 C VAL A 67 3.687 13.598 -0.172 1.00 73.33 C ATOM 1063 O VAL A 67 4.712 12.936 -0.367 1.00 52.11 O ATOM 1064 CB VAL A 67 4.308 15.994 -0.713 1.00 73.45 C ATOM 1065 CG1 VAL A 67 5.752 15.631 -1.055 1.00 71.25 C ATOM 1066 CG2 VAL A 67 3.875 17.265 -1.446 1.00 11.21 C ATOM 0 H VAL A 67 1.765 15.677 0.041 1.00 73.33 H new ATOM 0 HA VAL A 67 3.480 14.558 -2.093 1.00 1.13 H new ATOM 0 HB VAL A 67 4.258 16.184 0.359 1.00 73.45 H new ATOM 0 HG11 VAL A 67 6.405 16.470 -0.813 1.00 71.25 H new ATOM 0 HG12 VAL A 67 6.054 14.758 -0.477 1.00 71.25 H new ATOM 0 HG13 VAL A 67 5.828 15.406 -2.119 1.00 71.25 H new ATOM 0 HG21 VAL A 67 4.560 18.077 -1.202 1.00 11.21 H new ATOM 0 HG22 VAL A 67 3.891 17.088 -2.521 1.00 11.21 H new ATOM 0 HG23 VAL A 67 2.866 17.537 -1.138 1.00 11.21 H new ATOM 1076 N HIS A 68 2.818 13.306 0.800 1.00 41.10 N ATOM 1077 CA HIS A 68 2.970 12.133 1.672 1.00 32.22 C ATOM 1078 C HIS A 68 1.752 11.192 1.577 1.00 64.24 C ATOM 1079 O HIS A 68 0.628 11.631 1.339 1.00 63.13 O ATOM 1080 CB HIS A 68 3.178 12.572 3.131 1.00 43.42 C ATOM 1081 CG HIS A 68 4.492 13.252 3.384 1.00 44.45 C ATOM 1082 ND1 HIS A 68 5.432 13.479 2.399 1.00 71.35 N ATOM 1083 CD2 HIS A 68 5.027 13.750 4.525 1.00 15.32 C ATOM 1084 CE1 HIS A 68 6.482 14.081 2.921 1.00 13.32 C ATOM 1085 NE2 HIS A 68 6.263 14.256 4.205 1.00 74.30 N ATOM 0 H HIS A 68 1.994 13.871 1.006 1.00 41.10 H new ATOM 0 HA HIS A 68 3.848 11.584 1.332 1.00 32.22 H new ATOM 0 HB2 HIS A 68 2.371 13.247 3.415 1.00 43.42 H new ATOM 0 HB3 HIS A 68 3.103 11.697 3.777 1.00 43.42 H new ATOM 0 HD2 HIS A 68 4.568 13.749 5.502 1.00 15.32 H new ATOM 0 HE1 HIS A 68 7.371 14.380 2.385 1.00 13.32 H new ATOM 0 HE2 HIS A 68 6.908 14.698 4.860 1.00 74.30 H new ATOM 1094 N VAL A 69 1.993 9.896 1.767 1.00 13.25 N ATOM 1095 CA VAL A 69 0.938 8.877 1.696 1.00 15.44 C ATOM 1096 C VAL A 69 0.577 8.356 3.099 1.00 34.02 C ATOM 1097 O VAL A 69 1.457 8.136 3.937 1.00 22.32 O ATOM 1098 CB VAL A 69 1.377 7.685 0.807 1.00 31.51 C ATOM 1099 CG1 VAL A 69 0.248 6.664 0.655 1.00 11.54 C ATOM 1100 CG2 VAL A 69 1.858 8.178 -0.559 1.00 75.40 C ATOM 0 H VAL A 69 2.919 9.520 1.974 1.00 13.25 H new ATOM 0 HA VAL A 69 0.061 9.350 1.254 1.00 15.44 H new ATOM 0 HB VAL A 69 2.210 7.185 1.301 1.00 31.51 H new ATOM 0 HG11 VAL A 69 0.585 5.840 0.027 1.00 11.54 H new ATOM 0 HG12 VAL A 69 -0.031 6.281 1.637 1.00 11.54 H new ATOM 0 HG13 VAL A 69 -0.616 7.143 0.193 1.00 11.54 H new ATOM 0 HG21 VAL A 69 2.161 7.326 -1.167 1.00 75.40 H new ATOM 0 HG22 VAL A 69 1.049 8.711 -1.059 1.00 75.40 H new ATOM 0 HG23 VAL A 69 2.707 8.849 -0.426 1.00 75.40 H new ATOM 1110 N THR A 70 -0.717 8.160 3.346 1.00 12.51 N ATOM 1111 CA THR A 70 -1.205 7.706 4.658 1.00 35.22 C ATOM 1112 C THR A 70 -1.469 6.196 4.664 1.00 5.35 C ATOM 1113 O THR A 70 -1.690 5.588 3.616 1.00 1.14 O ATOM 1114 CB THR A 70 -2.523 8.424 5.057 1.00 71.12 C ATOM 1115 OG1 THR A 70 -3.615 7.954 4.248 1.00 62.25 O ATOM 1116 CG2 THR A 70 -2.398 9.935 4.891 1.00 42.23 C ATOM 0 H THR A 70 -1.453 8.308 2.655 1.00 12.51 H new ATOM 0 HA THR A 70 -0.421 7.950 5.375 1.00 35.22 H new ATOM 0 HB THR A 70 -2.716 8.196 6.105 1.00 71.12 H new ATOM 0 HG1 THR A 70 -4.345 8.607 4.273 1.00 62.25 H new ATOM 0 HG21 THR A 70 -3.336 10.411 5.178 1.00 42.23 H new ATOM 0 HG22 THR A 70 -1.594 10.306 5.526 1.00 42.23 H new ATOM 0 HG23 THR A 70 -2.175 10.169 3.850 1.00 42.23 H new ATOM 1124 N GLN A 71 -1.452 5.593 5.854 1.00 10.33 N ATOM 1125 CA GLN A 71 -1.813 4.178 6.003 1.00 12.22 C ATOM 1126 C GLN A 71 -3.256 3.942 5.534 1.00 54.52 C ATOM 1127 O GLN A 71 -3.586 2.885 4.985 1.00 35.20 O ATOM 1128 CB GLN A 71 -1.650 3.736 7.466 1.00 75.44 C ATOM 1129 CG GLN A 71 -2.109 2.306 7.730 1.00 20.31 C ATOM 1130 CD GLN A 71 -1.951 1.893 9.178 1.00 22.45 C ATOM 1131 OE1 GLN A 71 -2.840 2.091 9.999 1.00 53.32 O ATOM 1132 NE2 GLN A 71 -0.831 1.286 9.502 1.00 41.33 N ATOM 0 H GLN A 71 -1.194 6.057 6.725 1.00 10.33 H new ATOM 0 HA GLN A 71 -1.143 3.583 5.382 1.00 12.22 H new ATOM 0 HB2 GLN A 71 -0.602 3.830 7.750 1.00 75.44 H new ATOM 0 HB3 GLN A 71 -2.215 4.413 8.106 1.00 75.44 H new ATOM 0 HG2 GLN A 71 -3.155 2.207 7.442 1.00 20.31 H new ATOM 0 HG3 GLN A 71 -1.538 1.625 7.099 1.00 20.31 H new ATOM 0 HE21 GLN A 71 -0.110 1.136 8.797 1.00 41.33 H new ATOM 0 HE22 GLN A 71 -0.683 0.965 10.459 1.00 41.33 H new ATOM 1141 N GLU A 72 -4.097 4.955 5.740 1.00 40.42 N ATOM 1142 CA GLU A 72 -5.499 4.913 5.324 1.00 34.30 C ATOM 1143 C GLU A 72 -5.623 4.633 3.819 1.00 74.11 C ATOM 1144 O GLU A 72 -6.479 3.854 3.393 1.00 23.45 O ATOM 1145 CB GLU A 72 -6.213 6.237 5.669 1.00 43.13 C ATOM 1146 CG GLU A 72 -6.247 6.578 7.163 1.00 20.44 C ATOM 1147 CD GLU A 72 -4.910 7.069 7.709 1.00 33.05 C ATOM 1148 OE1 GLU A 72 -4.094 6.232 8.153 1.00 14.40 O ATOM 1149 OE2 GLU A 72 -4.667 8.297 7.692 1.00 44.23 O ATOM 0 H GLU A 72 -3.827 5.825 6.198 1.00 40.42 H new ATOM 0 HA GLU A 72 -5.978 4.100 5.869 1.00 34.30 H new ATOM 0 HB2 GLU A 72 -5.719 7.050 5.136 1.00 43.13 H new ATOM 0 HB3 GLU A 72 -7.237 6.189 5.298 1.00 43.13 H new ATOM 0 HG2 GLU A 72 -7.003 7.344 7.335 1.00 20.44 H new ATOM 0 HG3 GLU A 72 -6.555 5.694 7.722 1.00 20.44 H new ATOM 1156 N ASP A 73 -4.756 5.256 3.021 1.00 13.12 N ATOM 1157 CA ASP A 73 -4.760 5.041 1.569 1.00 74.34 C ATOM 1158 C ASP A 73 -4.502 3.565 1.225 1.00 10.13 C ATOM 1159 O ASP A 73 -5.202 2.977 0.401 1.00 24.02 O ATOM 1160 CB ASP A 73 -3.706 5.922 0.890 1.00 24.22 C ATOM 1161 CG ASP A 73 -3.901 7.400 1.177 1.00 42.32 C ATOM 1162 OD1 ASP A 73 -5.051 7.881 1.110 1.00 23.11 O ATOM 1163 OD2 ASP A 73 -2.911 8.090 1.493 1.00 11.15 O ATOM 0 H ASP A 73 -4.045 5.910 3.350 1.00 13.12 H new ATOM 0 HA ASP A 73 -5.748 5.316 1.198 1.00 74.34 H new ATOM 0 HB2 ASP A 73 -2.714 5.619 1.226 1.00 24.22 H new ATOM 0 HB3 ASP A 73 -3.741 5.758 -0.187 1.00 24.22 H new ATOM 1168 N PHE A 74 -3.497 2.972 1.873 1.00 74.41 N ATOM 1169 CA PHE A 74 -3.154 1.563 1.650 1.00 2.11 C ATOM 1170 C PHE A 74 -4.336 0.632 1.966 1.00 33.51 C ATOM 1171 O PHE A 74 -4.761 -0.148 1.115 1.00 21.50 O ATOM 1172 CB PHE A 74 -1.934 1.162 2.494 1.00 70.43 C ATOM 1173 CG PHE A 74 -0.640 1.794 2.043 1.00 63.31 C ATOM 1174 CD1 PHE A 74 0.129 1.194 1.054 1.00 14.33 C ATOM 1175 CD2 PHE A 74 -0.195 2.985 2.600 1.00 64.12 C ATOM 1176 CE1 PHE A 74 1.315 1.765 0.635 1.00 53.12 C ATOM 1177 CE2 PHE A 74 0.991 3.559 2.183 1.00 23.35 C ATOM 1178 CZ PHE A 74 1.745 2.950 1.197 1.00 13.14 C ATOM 0 H PHE A 74 -2.906 3.444 2.557 1.00 74.41 H new ATOM 0 HA PHE A 74 -2.911 1.454 0.593 1.00 2.11 H new ATOM 0 HB2 PHE A 74 -2.118 1.437 3.533 1.00 70.43 H new ATOM 0 HB3 PHE A 74 -1.826 0.078 2.465 1.00 70.43 H new ATOM 0 HD1 PHE A 74 -0.205 0.269 0.607 1.00 14.33 H new ATOM 0 HD2 PHE A 74 -0.782 3.468 3.367 1.00 64.12 H new ATOM 0 HE1 PHE A 74 1.905 1.285 -0.131 1.00 53.12 H new ATOM 0 HE2 PHE A 74 1.329 4.483 2.627 1.00 23.35 H new ATOM 0 HZ PHE A 74 2.669 3.401 0.867 1.00 13.14 H new ATOM 1188 N GLU A 75 -4.878 0.730 3.181 1.00 5.01 N ATOM 1189 CA GLU A 75 -5.971 -0.158 3.608 1.00 63.32 C ATOM 1190 C GLU A 75 -7.249 0.060 2.778 1.00 43.21 C ATOM 1191 O GLU A 75 -8.011 -0.882 2.542 1.00 11.50 O ATOM 1192 CB GLU A 75 -6.249 0.003 5.111 1.00 75.22 C ATOM 1193 CG GLU A 75 -6.620 1.416 5.544 1.00 44.53 C ATOM 1194 CD GLU A 75 -6.703 1.554 7.056 1.00 3.44 C ATOM 1195 OE1 GLU A 75 -7.787 1.294 7.626 1.00 3.04 O ATOM 1196 OE2 GLU A 75 -5.683 1.900 7.684 1.00 3.13 O ATOM 0 H GLU A 75 -4.584 1.408 3.884 1.00 5.01 H new ATOM 0 HA GLU A 75 -5.647 -1.183 3.429 1.00 63.32 H new ATOM 0 HB2 GLU A 75 -7.058 -0.672 5.391 1.00 75.22 H new ATOM 0 HB3 GLU A 75 -5.365 -0.312 5.666 1.00 75.22 H new ATOM 0 HG2 GLU A 75 -5.881 2.118 5.158 1.00 44.53 H new ATOM 0 HG3 GLU A 75 -7.579 1.688 5.103 1.00 44.53 H new ATOM 1203 N MET A 76 -7.481 1.296 2.328 1.00 63.51 N ATOM 1204 CA MET A 76 -8.579 1.578 1.389 1.00 53.31 C ATOM 1205 C MET A 76 -8.320 0.906 0.035 1.00 75.24 C ATOM 1206 O MET A 76 -9.219 0.308 -0.563 1.00 21.21 O ATOM 1207 CB MET A 76 -8.763 3.093 1.200 1.00 35.21 C ATOM 1208 CG MET A 76 -9.450 3.778 2.373 1.00 0.45 C ATOM 1209 SD MET A 76 -11.156 3.221 2.586 1.00 3.21 S ATOM 1210 CE MET A 76 -11.892 3.776 1.045 1.00 44.00 C ATOM 0 H MET A 76 -6.931 2.113 2.593 1.00 63.51 H new ATOM 0 HA MET A 76 -9.496 1.168 1.813 1.00 53.31 H new ATOM 0 HB2 MET A 76 -7.787 3.552 1.044 1.00 35.21 H new ATOM 0 HB3 MET A 76 -9.346 3.269 0.296 1.00 35.21 H new ATOM 0 HG2 MET A 76 -8.889 3.581 3.286 1.00 0.45 H new ATOM 0 HG3 MET A 76 -9.439 4.857 2.219 1.00 0.45 H new ATOM 0 HE1 MET A 76 -12.971 3.869 1.170 1.00 44.00 H new ATOM 0 HE2 MET A 76 -11.474 4.744 0.770 1.00 44.00 H new ATOM 0 HE3 MET A 76 -11.679 3.052 0.258 1.00 44.00 H new ATOM 1220 N ALA A 77 -7.078 1.003 -0.433 1.00 30.34 N ATOM 1221 CA ALA A 77 -6.669 0.373 -1.690 1.00 44.54 C ATOM 1222 C ALA A 77 -6.810 -1.155 -1.629 1.00 11.33 C ATOM 1223 O ALA A 77 -7.223 -1.784 -2.601 1.00 4.34 O ATOM 1224 CB ALA A 77 -5.234 0.760 -2.029 1.00 3.13 C ATOM 0 H ALA A 77 -6.333 1.514 0.040 1.00 30.34 H new ATOM 0 HA ALA A 77 -7.332 0.735 -2.476 1.00 44.54 H new ATOM 0 HB1 ALA A 77 -4.941 0.286 -2.966 1.00 3.13 H new ATOM 0 HB2 ALA A 77 -5.164 1.843 -2.133 1.00 3.13 H new ATOM 0 HB3 ALA A 77 -4.570 0.429 -1.231 1.00 3.13 H new ATOM 1230 N VAL A 78 -6.480 -1.746 -0.479 1.00 50.40 N ATOM 1231 CA VAL A 78 -6.600 -3.201 -0.287 1.00 4.22 C ATOM 1232 C VAL A 78 -8.018 -3.697 -0.612 1.00 43.01 C ATOM 1233 O VAL A 78 -8.196 -4.649 -1.373 1.00 33.31 O ATOM 1234 CB VAL A 78 -6.252 -3.618 1.167 1.00 51.42 C ATOM 1235 CG1 VAL A 78 -6.441 -5.122 1.367 1.00 25.10 C ATOM 1236 CG2 VAL A 78 -4.827 -3.202 1.522 1.00 44.44 C ATOM 0 H VAL A 78 -6.127 -1.244 0.336 1.00 50.40 H new ATOM 0 HA VAL A 78 -5.888 -3.659 -0.974 1.00 4.22 H new ATOM 0 HB VAL A 78 -6.937 -3.100 1.838 1.00 51.42 H new ATOM 0 HG11 VAL A 78 -6.190 -5.387 2.394 1.00 25.10 H new ATOM 0 HG12 VAL A 78 -7.479 -5.388 1.167 1.00 25.10 H new ATOM 0 HG13 VAL A 78 -5.789 -5.665 0.683 1.00 25.10 H new ATOM 0 HG21 VAL A 78 -4.604 -3.504 2.545 1.00 44.44 H new ATOM 0 HG22 VAL A 78 -4.127 -3.685 0.840 1.00 44.44 H new ATOM 0 HG23 VAL A 78 -4.731 -2.120 1.434 1.00 44.44 H new ATOM 1246 N ALA A 79 -9.019 -3.036 -0.037 1.00 72.23 N ATOM 1247 CA ALA A 79 -10.421 -3.408 -0.255 1.00 23.11 C ATOM 1248 C ALA A 79 -10.823 -3.287 -1.732 1.00 2.14 C ATOM 1249 O ALA A 79 -11.501 -4.161 -2.276 1.00 64.54 O ATOM 1250 CB ALA A 79 -11.331 -2.547 0.615 1.00 40.04 C ATOM 0 H ALA A 79 -8.889 -2.238 0.585 1.00 72.23 H new ATOM 0 HA ALA A 79 -10.535 -4.454 0.028 1.00 23.11 H new ATOM 0 HB1 ALA A 79 -12.370 -2.830 0.446 1.00 40.04 H new ATOM 0 HB2 ALA A 79 -11.080 -2.698 1.665 1.00 40.04 H new ATOM 0 HB3 ALA A 79 -11.195 -1.497 0.356 1.00 40.04 H new ATOM 1256 N LYS A 80 -10.390 -2.210 -2.386 1.00 60.54 N ATOM 1257 CA LYS A 80 -10.757 -1.953 -3.785 1.00 64.24 C ATOM 1258 C LYS A 80 -10.027 -2.909 -4.751 1.00 11.12 C ATOM 1259 O LYS A 80 -10.656 -3.546 -5.602 1.00 20.22 O ATOM 1260 CB LYS A 80 -10.453 -0.490 -4.149 1.00 60.15 C ATOM 1261 CG LYS A 80 -10.998 -0.071 -5.514 1.00 15.05 C ATOM 1262 CD LYS A 80 -10.719 1.400 -5.818 1.00 24.13 C ATOM 1263 CE LYS A 80 -11.363 2.334 -4.793 1.00 21.34 C ATOM 1264 NZ LYS A 80 -12.842 2.180 -4.735 1.00 32.31 N ATOM 0 H LYS A 80 -9.785 -1.500 -1.973 1.00 60.54 H new ATOM 0 HA LYS A 80 -11.827 -2.135 -3.889 1.00 64.24 H new ATOM 0 HB2 LYS A 80 -10.875 0.161 -3.384 1.00 60.15 H new ATOM 0 HB3 LYS A 80 -9.374 -0.338 -4.136 1.00 60.15 H new ATOM 0 HG2 LYS A 80 -10.549 -0.692 -6.289 1.00 15.05 H new ATOM 0 HG3 LYS A 80 -12.073 -0.249 -5.545 1.00 15.05 H new ATOM 0 HD2 LYS A 80 -9.642 1.568 -5.834 1.00 24.13 H new ATOM 0 HD3 LYS A 80 -11.094 1.641 -6.813 1.00 24.13 H new ATOM 0 HE2 LYS A 80 -10.941 2.134 -3.808 1.00 21.34 H new ATOM 0 HE3 LYS A 80 -11.117 3.366 -5.042 1.00 21.34 H new ATOM 0 HZ1 LYS A 80 -13.245 2.923 -4.129 1.00 32.31 H new ATOM 0 HZ2 LYS A 80 -13.237 2.262 -5.693 1.00 32.31 H new ATOM 0 HZ3 LYS A 80 -13.079 1.247 -4.342 1.00 32.31 H new ATOM 1278 N VAL A 81 -8.704 -3.004 -4.608 1.00 14.54 N ATOM 1279 CA VAL A 81 -7.875 -3.877 -5.456 1.00 60.21 C ATOM 1280 C VAL A 81 -8.247 -5.360 -5.294 1.00 43.35 C ATOM 1281 O VAL A 81 -8.400 -6.085 -6.278 1.00 71.14 O ATOM 1282 CB VAL A 81 -6.364 -3.688 -5.140 1.00 32.31 C ATOM 1283 CG1 VAL A 81 -5.504 -4.671 -5.934 1.00 72.13 C ATOM 1284 CG2 VAL A 81 -5.933 -2.249 -5.419 1.00 13.54 C ATOM 0 H VAL A 81 -8.175 -2.484 -3.908 1.00 14.54 H new ATOM 0 HA VAL A 81 -8.069 -3.585 -6.488 1.00 60.21 H new ATOM 0 HB VAL A 81 -6.216 -3.895 -4.080 1.00 32.31 H new ATOM 0 HG11 VAL A 81 -4.453 -4.514 -5.691 1.00 72.13 H new ATOM 0 HG12 VAL A 81 -5.787 -5.692 -5.677 1.00 72.13 H new ATOM 0 HG13 VAL A 81 -5.658 -4.510 -7.001 1.00 72.13 H new ATOM 0 HG21 VAL A 81 -4.873 -2.136 -5.192 1.00 13.54 H new ATOM 0 HG22 VAL A 81 -6.106 -2.014 -6.469 1.00 13.54 H new ATOM 0 HG23 VAL A 81 -6.512 -1.568 -4.795 1.00 13.54 H new ATOM 1294 N MET A 82 -8.400 -5.808 -4.048 1.00 13.24 N ATOM 1295 CA MET A 82 -8.776 -7.201 -3.772 1.00 40.11 C ATOM 1296 C MET A 82 -10.292 -7.422 -3.921 1.00 0.40 C ATOM 1297 O MET A 82 -10.794 -8.522 -3.679 1.00 14.04 O ATOM 1298 CB MET A 82 -8.325 -7.604 -2.362 1.00 75.50 C ATOM 1299 CG MET A 82 -6.819 -7.498 -2.144 1.00 62.43 C ATOM 1300 SD MET A 82 -5.870 -8.458 -3.340 1.00 45.05 S ATOM 1301 CE MET A 82 -6.463 -10.118 -3.011 1.00 51.53 C ATOM 0 H MET A 82 -8.271 -5.233 -3.216 1.00 13.24 H new ATOM 0 HA MET A 82 -8.272 -7.829 -4.507 1.00 40.11 H new ATOM 0 HB2 MET A 82 -8.834 -6.973 -1.634 1.00 75.50 H new ATOM 0 HB3 MET A 82 -8.639 -8.630 -2.169 1.00 75.50 H new ATOM 0 HG2 MET A 82 -6.520 -6.452 -2.206 1.00 62.43 H new ATOM 0 HG3 MET A 82 -6.577 -7.839 -1.137 1.00 62.43 H new ATOM 0 HE1 MET A 82 -5.619 -10.766 -2.778 1.00 51.53 H new ATOM 0 HE2 MET A 82 -7.150 -10.098 -2.165 1.00 51.53 H new ATOM 0 HE3 MET A 82 -6.982 -10.500 -3.890 1.00 51.53 H new ATOM 1311 N GLN A 83 -11.013 -6.359 -4.308 1.00 11.34 N ATOM 1312 CA GLN A 83 -12.465 -6.423 -4.557 1.00 0.01 C ATOM 1313 C GLN A 83 -13.232 -6.876 -3.301 1.00 13.31 C ATOM 1314 O GLN A 83 -14.349 -7.397 -3.387 1.00 33.43 O ATOM 1315 CB GLN A 83 -12.754 -7.372 -5.734 1.00 45.40 C ATOM 1316 CG GLN A 83 -11.989 -7.020 -7.009 1.00 4.44 C ATOM 1317 CD GLN A 83 -12.201 -8.029 -8.125 1.00 22.15 C ATOM 1318 OE1 GLN A 83 -13.254 -8.646 -8.232 1.00 52.35 O ATOM 1319 NE2 GLN A 83 -11.195 -8.216 -8.959 1.00 12.44 N ATOM 0 H GLN A 83 -10.610 -5.434 -4.457 1.00 11.34 H new ATOM 0 HA GLN A 83 -12.810 -5.421 -4.811 1.00 0.01 H new ATOM 0 HB2 GLN A 83 -12.501 -8.390 -5.439 1.00 45.40 H new ATOM 0 HB3 GLN A 83 -13.823 -7.358 -5.947 1.00 45.40 H new ATOM 0 HG2 GLN A 83 -12.302 -6.034 -7.353 1.00 4.44 H new ATOM 0 HG3 GLN A 83 -10.925 -6.956 -6.782 1.00 4.44 H new ATOM 0 HE21 GLN A 83 -10.331 -7.686 -8.843 1.00 12.44 H new ATOM 0 HE22 GLN A 83 -11.282 -8.890 -9.720 1.00 12.44 H new ATOM 1328 N LYS A 84 -12.640 -6.632 -2.136 1.00 53.02 N ATOM 1329 CA LYS A 84 -13.160 -7.157 -0.871 1.00 14.31 C ATOM 1330 C LYS A 84 -14.163 -6.184 -0.225 1.00 51.53 C ATOM 1331 O LYS A 84 -13.780 -5.139 0.304 1.00 11.43 O ATOM 1332 CB LYS A 84 -11.989 -7.436 0.095 1.00 0.21 C ATOM 1333 CG LYS A 84 -12.169 -8.674 0.976 1.00 12.14 C ATOM 1334 CD LYS A 84 -13.377 -8.573 1.909 1.00 44.41 C ATOM 1335 CE LYS A 84 -13.220 -7.459 2.941 1.00 25.03 C ATOM 1336 NZ LYS A 84 -14.367 -7.421 3.883 1.00 30.24 N ATOM 0 H LYS A 84 -11.794 -6.071 -2.038 1.00 53.02 H new ATOM 0 HA LYS A 84 -13.690 -8.086 -1.080 1.00 14.31 H new ATOM 0 HB2 LYS A 84 -11.075 -7.551 -0.487 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -11.851 -6.566 0.737 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -12.280 -9.552 0.340 1.00 12.14 H new ATOM 0 HG3 LYS A 84 -11.268 -8.823 1.572 1.00 12.14 H new ATOM 0 HD2 LYS A 84 -14.276 -8.394 1.318 1.00 44.41 H new ATOM 0 HD3 LYS A 84 -13.517 -9.524 2.423 1.00 44.41 H new ATOM 0 HE2 LYS A 84 -12.295 -7.607 3.499 1.00 25.03 H new ATOM 0 HE3 LYS A 84 -13.135 -6.499 2.431 1.00 25.03 H new ATOM 0 HZ1 LYS A 84 -14.334 -6.540 4.435 1.00 30.24 H new ATOM 0 HZ2 LYS A 84 -15.258 -7.460 3.347 1.00 30.24 H new ATOM 0 HZ3 LYS A 84 -14.314 -8.236 4.527 1.00 30.24 H new ATOM 1350 N ASP A 85 -15.443 -6.543 -0.266 1.00 20.35 N ATOM 1351 CA ASP A 85 -16.492 -5.764 0.401 1.00 72.45 C ATOM 1352 C ASP A 85 -16.955 -6.491 1.684 1.00 14.21 C ATOM 1353 O ASP A 85 -16.448 -7.572 2.002 1.00 25.24 O ATOM 1354 CB ASP A 85 -17.656 -5.544 -0.576 1.00 75.21 C ATOM 1355 CG ASP A 85 -18.654 -4.505 -0.093 1.00 53.32 C ATOM 1356 OD1 ASP A 85 -18.371 -3.294 -0.219 1.00 14.12 O ATOM 1357 OD2 ASP A 85 -19.719 -4.897 0.428 1.00 24.33 O ATOM 0 H ASP A 85 -15.784 -7.371 -0.755 1.00 20.35 H new ATOM 0 HA ASP A 85 -16.103 -4.790 0.697 1.00 72.45 H new ATOM 0 HB2 ASP A 85 -17.257 -5.234 -1.542 1.00 75.21 H new ATOM 0 HB3 ASP A 85 -18.174 -6.490 -0.733 1.00 75.21 H new ATOM 1362 N SER A 86 -17.894 -5.902 2.422 1.00 41.34 N ATOM 1363 CA SER A 86 -18.357 -6.477 3.702 1.00 23.20 C ATOM 1364 C SER A 86 -19.211 -7.751 3.511 1.00 1.21 C ATOM 1365 O SER A 86 -18.634 -8.862 3.491 1.00 38.18 O ATOM 1366 CB SER A 86 -19.150 -5.430 4.494 1.00 62.01 C ATOM 1367 OG SER A 86 -19.614 -5.957 5.727 1.00 1.14 O ATOM 1368 OXT SER A 86 -20.455 -7.641 3.396 1.00 38.18 O ATOM 0 H SER A 86 -18.354 -5.029 2.164 1.00 41.34 H new ATOM 0 HA SER A 86 -17.467 -6.768 4.259 1.00 23.20 H new ATOM 0 HB2 SER A 86 -18.521 -4.560 4.682 1.00 62.01 H new ATOM 0 HB3 SER A 86 -19.998 -5.088 3.901 1.00 62.01 H new ATOM 0 HG SER A 86 -20.114 -5.267 6.210 1.00 1.14 H new TER 1374 SER A 86