USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 924 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 117 ASN : amide:sc= 0.391 K(o=0.81,f=-0.11) USER MOD Set 1.2: A 119 THR OG1 : rot -21:sc= 0.421 USER MOD Set 2.1: A 95 GLN :FLIP amide:sc= 0.599 F(o=-1.5!,f=-0.18) USER MOD Set 2.2: A 97 ASN :FLIP amide:sc= -1.1! F(o=-1.5,f=-0.18!) USER MOD Set 2.3: A 108 THR OG1 : rot -94:sc= 0.32 USER MOD Set 3.1: A 71 ASN : amide:sc= -0.415 K(o=-0.48,f=-5.1!) USER MOD Set 3.2: A 89 ASN :FLIP amide:sc= -0.0678 F(o=-1.4,f=-0.48) USER MOD Set 4.1: A 56 GLN : amide:sc= -1.02 K(o=-0.96,f=-2.4!) USER MOD Set 4.2: A 59 GLN : amide:sc= 0.0591 K(o=-0.96,f=-2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.12 (180deg=0.402) USER MOD Single : A 4 THR OG1 : rot -21:sc= 0.301 USER MOD Single : A 5 MET CE :methyl 158:sc= -0.158 (180deg=-0.694) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN :FLIP amide:sc= 1.13 F(o=-0.015,f=1.1) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 20 ASN : amide:sc= -0.827 X(o=-0.83,f=-0.62) USER MOD Single : A 26 ASN :FLIP amide:sc= 0.0994 F(o=-0.54!,f=0.099) USER MOD Single : A 27 SER OG : rot -73:sc= 1.2 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 40:sc= 0.237 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= -0.0143 (180deg=-0.175) USER MOD Single : A 38 SER OG : rot -15:sc= 0.851 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 47:sc= -2.14! USER MOD Single : A 49 SER OG : rot 59:sc= 0.19 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.219 F(o=-1.3,f=-0.22) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.5!) USER MOD Single : A 72 THR OG1 : rot 12:sc= 0.794 USER MOD Single : A 74 LYS NZ :NH3+ 150:sc= 1.08 (180deg=0.504) USER MOD Single : A 78 MET CE :methyl 163:sc= -0.479 (180deg=-0.935) USER MOD Single : A 80 THR OG1 : rot 76:sc= 0.947 USER MOD Single : A 81 ASN : amide:sc= -0.174 K(o=-0.17,f=-2.5!) USER MOD Single : A 83 TYR OH : rot -128:sc= 1.18 USER MOD Single : A 93 GLN : amide:sc= 0.886 K(o=0.89,f=-0.14) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 67:sc= 0.605 USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 116 ASN : amide:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS :FLIP no HE2:sc= 0.483 F(o=-1.7!,f=0.48) USER MOD Single : A 123 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 124 HIS : no HD1:sc=-0.00303 X(o=-0.003,f=0) USER MOD Single : A 125 HIS :FLIP no HE2:sc= 0.512 F(o=-1.7!,f=0.51) USER MOD Single : A 126 HIS : no HD1:sc= -0.017 X(o=-0.017,f=-0.45) USER MOD Single : A 127 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.556 1.579 -0.911 1.00 0.00 N ATOM 2 CA MET A 1 0.533 2.558 -0.697 1.00 52.33 C ATOM 3 C MET A 1 0.231 3.856 -1.441 1.00 71.33 C ATOM 4 O MET A 1 -0.468 3.855 -2.456 1.00 1.24 O ATOM 5 CB MET A 1 1.885 1.985 -1.150 1.00 2.44 C ATOM 6 CG MET A 1 1.995 1.721 -2.647 1.00 75.50 C ATOM 7 SD MET A 1 0.838 0.470 -3.235 1.00 21.34 S ATOM 8 CE MET A 1 1.300 0.370 -4.962 1.00 13.04 C ATOM 0 H1 MET A 1 -0.465 0.803 -0.225 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.475 2.049 -0.783 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.494 1.197 -1.876 1.00 0.00 H new ATOM 0 HA MET A 1 0.595 2.770 0.370 1.00 52.33 H new ATOM 0 HB2 MET A 1 2.674 2.678 -0.858 1.00 2.44 H new ATOM 0 HB3 MET A 1 2.066 1.052 -0.616 1.00 2.44 H new ATOM 0 HG2 MET A 1 1.819 2.651 -3.187 1.00 75.50 H new ATOM 0 HG3 MET A 1 3.012 1.404 -2.880 1.00 75.50 H new ATOM 0 HE1 MET A 1 0.672 -0.365 -5.465 1.00 13.04 H new ATOM 0 HE2 MET A 1 1.165 1.344 -5.432 1.00 13.04 H new ATOM 0 HE3 MET A 1 2.345 0.070 -5.042 1.00 13.04 H new ATOM 20 N ALA A 2 0.749 4.961 -0.931 1.00 12.30 N ATOM 21 CA ALA A 2 0.475 6.268 -1.506 1.00 21.34 C ATOM 22 C ALA A 2 1.623 6.737 -2.391 1.00 14.20 C ATOM 23 O ALA A 2 2.795 6.516 -2.079 1.00 72.13 O ATOM 24 CB ALA A 2 0.208 7.281 -0.403 1.00 74.23 C ATOM 0 H ALA A 2 1.364 4.979 -0.117 1.00 12.30 H new ATOM 0 HA ALA A 2 -0.413 6.181 -2.132 1.00 21.34 H new ATOM 0 HB1 ALA A 2 0.004 8.256 -0.846 1.00 74.23 H new ATOM 0 HB2 ALA A 2 -0.653 6.962 0.184 1.00 74.23 H new ATOM 0 HB3 ALA A 2 1.082 7.352 0.245 1.00 74.23 H new ATOM 30 N GLY A 3 1.274 7.374 -3.496 1.00 50.23 N ATOM 31 CA GLY A 3 2.265 7.926 -4.397 1.00 65.14 C ATOM 32 C GLY A 3 1.865 9.305 -4.871 1.00 23.21 C ATOM 33 O GLY A 3 1.306 9.459 -5.957 1.00 32.24 O ATOM 0 H GLY A 3 0.308 7.521 -3.789 1.00 50.23 H new ATOM 0 HA2 GLY A 3 3.230 7.978 -3.893 1.00 65.14 H new ATOM 0 HA3 GLY A 3 2.388 7.265 -5.255 1.00 65.14 H new ATOM 37 N THR A 4 2.130 10.305 -4.050 1.00 43.32 N ATOM 38 CA THR A 4 1.715 11.666 -4.352 1.00 31.21 C ATOM 39 C THR A 4 2.876 12.481 -4.913 1.00 2.41 C ATOM 40 O THR A 4 2.677 13.593 -5.419 1.00 63.23 O ATOM 41 CB THR A 4 1.148 12.360 -3.091 1.00 4.31 C ATOM 42 OG1 THR A 4 0.739 13.705 -3.386 1.00 72.25 O ATOM 43 CG2 THR A 4 2.179 12.373 -1.971 1.00 71.44 C ATOM 0 H THR A 4 2.631 10.202 -3.168 1.00 43.32 H new ATOM 0 HA THR A 4 0.931 11.612 -5.107 1.00 31.21 H new ATOM 0 HB THR A 4 0.278 11.791 -2.764 1.00 4.31 H new ATOM 0 HG1 THR A 4 1.194 14.015 -4.197 1.00 72.25 H new ATOM 0 HG21 THR A 4 1.758 12.866 -1.095 1.00 71.44 H new ATOM 0 HG22 THR A 4 2.452 11.349 -1.715 1.00 71.44 H new ATOM 0 HG23 THR A 4 3.067 12.913 -2.300 1.00 71.44 H new ATOM 51 N MET A 5 4.080 11.917 -4.833 1.00 11.31 N ATOM 52 CA MET A 5 5.296 12.599 -5.269 1.00 75.43 C ATOM 53 C MET A 5 5.480 13.910 -4.504 1.00 15.13 C ATOM 54 O MET A 5 4.830 14.146 -3.481 1.00 24.32 O ATOM 55 CB MET A 5 5.275 12.864 -6.784 1.00 22.24 C ATOM 56 CG MET A 5 5.415 11.610 -7.642 1.00 23.44 C ATOM 57 SD MET A 5 3.918 10.603 -7.694 1.00 11.43 S ATOM 58 CE MET A 5 2.796 11.703 -8.557 1.00 45.42 C ATOM 0 H MET A 5 4.239 10.979 -4.466 1.00 11.31 H new ATOM 0 HA MET A 5 6.140 11.944 -5.052 1.00 75.43 H new ATOM 0 HB2 MET A 5 4.341 13.364 -7.041 1.00 22.24 H new ATOM 0 HB3 MET A 5 6.083 13.552 -7.032 1.00 22.24 H new ATOM 0 HG2 MET A 5 5.682 11.902 -8.658 1.00 23.44 H new ATOM 0 HG3 MET A 5 6.237 11.006 -7.257 1.00 23.44 H new ATOM 0 HE1 MET A 5 1.991 11.122 -9.008 1.00 45.42 H new ATOM 0 HE2 MET A 5 2.375 12.420 -7.852 1.00 45.42 H new ATOM 0 HE3 MET A 5 3.338 12.237 -9.337 1.00 45.42 H new ATOM 68 N THR A 6 6.387 14.749 -4.976 1.00 41.42 N ATOM 69 CA THR A 6 6.580 16.064 -4.385 1.00 43.12 C ATOM 70 C THR A 6 6.855 17.102 -5.471 1.00 64.43 C ATOM 71 O THR A 6 5.947 17.837 -5.869 1.00 60.42 O ATOM 72 CB THR A 6 7.731 16.065 -3.357 1.00 74.21 C ATOM 73 OG1 THR A 6 7.574 14.960 -2.458 1.00 54.11 O ATOM 74 CG2 THR A 6 7.747 17.365 -2.565 1.00 62.12 C ATOM 0 H THR A 6 7.000 14.544 -5.765 1.00 41.42 H new ATOM 0 HA THR A 6 5.660 16.324 -3.862 1.00 43.12 H new ATOM 0 HB THR A 6 8.675 15.973 -3.895 1.00 74.21 H new ATOM 0 HG1 THR A 6 8.307 14.961 -1.807 1.00 54.11 H new ATOM 0 HG21 THR A 6 8.566 17.343 -1.847 1.00 62.12 H new ATOM 0 HG22 THR A 6 7.884 18.205 -3.246 1.00 62.12 H new ATOM 0 HG23 THR A 6 6.802 17.479 -2.034 1.00 62.12 H new ATOM 82 N PHE A 7 8.098 17.115 -5.967 1.00 42.33 N ATOM 83 CA PHE A 7 8.546 18.068 -6.988 1.00 74.33 C ATOM 84 C PHE A 7 8.544 19.498 -6.452 1.00 63.13 C ATOM 85 O PHE A 7 7.494 20.063 -6.140 1.00 64.35 O ATOM 86 CB PHE A 7 7.695 17.972 -8.259 1.00 24.13 C ATOM 87 CG PHE A 7 7.759 16.625 -8.925 1.00 71.12 C ATOM 88 CD1 PHE A 7 8.935 16.182 -9.508 1.00 75.04 C ATOM 89 CD2 PHE A 7 6.644 15.805 -8.970 1.00 54.44 C ATOM 90 CE1 PHE A 7 8.998 14.945 -10.120 1.00 24.44 C ATOM 91 CE2 PHE A 7 6.702 14.568 -9.582 1.00 13.11 C ATOM 92 CZ PHE A 7 7.880 14.138 -10.158 1.00 63.23 C ATOM 0 H PHE A 7 8.823 16.462 -5.670 1.00 42.33 H new ATOM 0 HA PHE A 7 9.571 17.802 -7.247 1.00 74.33 H new ATOM 0 HB2 PHE A 7 6.658 18.196 -8.010 1.00 24.13 H new ATOM 0 HB3 PHE A 7 8.025 18.734 -8.966 1.00 24.13 H new ATOM 0 HD1 PHE A 7 9.813 16.811 -9.484 1.00 75.04 H new ATOM 0 HD2 PHE A 7 5.719 16.136 -8.522 1.00 54.44 H new ATOM 0 HE1 PHE A 7 9.922 14.610 -10.568 1.00 24.44 H new ATOM 0 HE2 PHE A 7 5.826 13.937 -9.610 1.00 13.11 H new ATOM 0 HZ PHE A 7 7.926 13.171 -10.638 1.00 63.23 H new ATOM 102 N GLN A 8 9.727 20.081 -6.350 1.00 31.11 N ATOM 103 CA GLN A 8 9.876 21.422 -5.801 1.00 22.32 C ATOM 104 C GLN A 8 10.294 22.417 -6.880 1.00 73.41 C ATOM 105 O GLN A 8 11.399 22.349 -7.428 1.00 70.13 O ATOM 106 CB GLN A 8 10.886 21.407 -4.648 1.00 44.31 C ATOM 107 CG GLN A 8 12.219 20.775 -5.011 1.00 2.34 C ATOM 108 CD GLN A 8 13.141 20.629 -3.820 1.00 35.43 C ATOM 109 OE1 GLN A 8 13.925 21.525 -3.511 1.00 50.31 O ATOM 110 NE2 GLN A 8 13.061 19.492 -3.148 1.00 14.45 N ATOM 0 H GLN A 8 10.602 19.646 -6.641 1.00 31.11 H new ATOM 0 HA GLN A 8 8.910 21.746 -5.415 1.00 22.32 H new ATOM 0 HB2 GLN A 8 11.058 22.430 -4.314 1.00 44.31 H new ATOM 0 HB3 GLN A 8 10.455 20.866 -3.806 1.00 44.31 H new ATOM 0 HG2 GLN A 8 12.043 19.793 -5.451 1.00 2.34 H new ATOM 0 HG3 GLN A 8 12.709 21.382 -5.772 1.00 2.34 H new ATOM 0 HE21 GLN A 8 12.397 18.774 -3.438 1.00 14.45 H new ATOM 0 HE22 GLN A 8 13.664 19.333 -2.340 1.00 14.45 H new ATOM 119 N PHE A 9 9.399 23.338 -7.198 1.00 73.24 N ATOM 120 CA PHE A 9 9.681 24.342 -8.206 1.00 4.13 C ATOM 121 C PHE A 9 9.629 25.740 -7.607 1.00 32.53 C ATOM 122 O PHE A 9 8.552 26.294 -7.395 1.00 20.24 O ATOM 123 CB PHE A 9 8.691 24.232 -9.368 1.00 55.13 C ATOM 124 CG PHE A 9 8.829 22.967 -10.166 1.00 3.12 C ATOM 125 CD1 PHE A 9 9.673 22.916 -11.262 1.00 54.02 C ATOM 126 CD2 PHE A 9 8.112 21.832 -9.824 1.00 53.11 C ATOM 127 CE1 PHE A 9 9.800 21.757 -12.003 1.00 4.52 C ATOM 128 CE2 PHE A 9 8.235 20.671 -10.559 1.00 31.40 C ATOM 129 CZ PHE A 9 9.080 20.634 -11.650 1.00 63.11 C ATOM 0 H PHE A 9 8.474 23.410 -6.773 1.00 73.24 H new ATOM 0 HA PHE A 9 10.688 24.164 -8.585 1.00 4.13 H new ATOM 0 HB2 PHE A 9 7.676 24.294 -8.975 1.00 55.13 H new ATOM 0 HB3 PHE A 9 8.828 25.086 -10.032 1.00 55.13 H new ATOM 0 HD1 PHE A 9 10.239 23.793 -11.541 1.00 54.02 H new ATOM 0 HD2 PHE A 9 7.449 21.856 -8.972 1.00 53.11 H new ATOM 0 HE1 PHE A 9 10.461 21.730 -12.857 1.00 4.52 H new ATOM 0 HE2 PHE A 9 7.671 19.793 -10.281 1.00 31.40 H new ATOM 0 HZ PHE A 9 9.178 19.726 -12.227 1.00 63.11 H new ATOM 139 N ARG A 10 10.796 26.291 -7.303 1.00 62.51 N ATOM 140 CA ARG A 10 10.890 27.668 -6.842 1.00 44.32 C ATOM 141 C ARG A 10 11.576 28.519 -7.898 1.00 21.34 C ATOM 142 O ARG A 10 11.480 29.745 -7.869 1.00 35.21 O ATOM 143 CB ARG A 10 11.660 27.772 -5.524 1.00 21.20 C ATOM 144 CG ARG A 10 10.970 27.103 -4.349 1.00 72.03 C ATOM 145 CD ARG A 10 11.579 27.550 -3.030 1.00 53.43 C ATOM 146 NE ARG A 10 11.364 28.981 -2.792 1.00 61.25 N ATOM 147 CZ ARG A 10 12.049 29.705 -1.901 1.00 52.03 C ATOM 148 NH1 ARG A 10 13.026 29.146 -1.197 1.00 11.40 N1+ ATOM 149 NH2 ARG A 10 11.769 30.995 -1.730 1.00 60.33 N ATOM 0 H ARG A 10 11.690 25.805 -7.368 1.00 62.51 H new ATOM 0 HA ARG A 10 9.876 28.031 -6.671 1.00 44.32 H new ATOM 0 HB2 ARG A 10 12.646 27.325 -5.655 1.00 21.20 H new ATOM 0 HB3 ARG A 10 11.816 28.825 -5.289 1.00 21.20 H new ATOM 0 HG2 ARG A 10 9.907 27.344 -4.362 1.00 72.03 H new ATOM 0 HG3 ARG A 10 11.053 26.020 -4.443 1.00 72.03 H new ATOM 0 HD2 ARG A 10 11.142 26.975 -2.214 1.00 53.43 H new ATOM 0 HD3 ARG A 10 12.648 27.338 -3.032 1.00 53.43 H new ATOM 0 HE ARG A 10 10.646 29.454 -3.341 1.00 61.25 H new ATOM 0 HH11 ARG A 10 13.256 28.162 -1.335 1.00 11.40 H new ATOM 0 HH12 ARG A 10 13.547 29.701 -0.518 1.00 11.40 H new ATOM 0 HH21 ARG A 10 11.030 31.434 -2.280 1.00 60.33 H new ATOM 0 HH22 ARG A 10 12.293 31.545 -1.049 1.00 60.33 H new ATOM 163 N ASN A 11 12.263 27.844 -8.830 1.00 4.11 N ATOM 164 CA ASN A 11 12.998 28.498 -9.917 1.00 44.33 C ATOM 165 C ASN A 11 14.277 29.161 -9.396 1.00 62.55 C ATOM 166 O ASN A 11 14.383 29.474 -8.208 1.00 3.33 O ATOM 167 CB ASN A 11 12.115 29.517 -10.656 1.00 42.41 C ATOM 168 CG ASN A 11 11.055 28.851 -11.513 1.00 62.50 C ATOM 169 OD1 ASN A 11 11.283 28.567 -12.688 1.00 63.14 O ATOM 170 ND2 ASN A 11 9.887 28.608 -10.937 1.00 43.24 N ATOM 0 H ASN A 11 12.324 26.826 -8.850 1.00 4.11 H new ATOM 0 HA ASN A 11 13.284 27.726 -10.631 1.00 44.33 H new ATOM 0 HB2 ASN A 11 11.633 30.170 -9.929 1.00 42.41 H new ATOM 0 HB3 ASN A 11 12.742 30.149 -11.285 1.00 42.41 H new ATOM 0 HD21 ASN A 11 9.136 28.170 -11.471 1.00 43.24 H new ATOM 0 HD22 ASN A 11 9.738 28.859 -9.960 1.00 43.24 H new ATOM 177 N PRO A 12 15.277 29.357 -10.278 1.00 71.33 N ATOM 178 CA PRO A 12 16.580 29.934 -9.902 1.00 34.14 C ATOM 179 C PRO A 12 16.466 31.289 -9.206 1.00 51.42 C ATOM 180 O PRO A 12 17.133 31.526 -8.197 1.00 63.23 O ATOM 181 CB PRO A 12 17.302 30.091 -11.242 1.00 5.44 C ATOM 182 CG PRO A 12 16.662 29.091 -12.139 1.00 13.40 C ATOM 183 CD PRO A 12 15.225 29.013 -11.711 1.00 22.12 C ATOM 0 HA PRO A 12 17.098 29.298 -9.184 1.00 34.14 H new ATOM 0 HB2 PRO A 12 17.192 31.102 -11.634 1.00 5.44 H new ATOM 0 HB3 PRO A 12 18.371 29.904 -11.140 1.00 5.44 H new ATOM 0 HG2 PRO A 12 16.743 29.395 -13.183 1.00 13.40 H new ATOM 0 HG3 PRO A 12 17.149 28.120 -12.051 1.00 13.40 H new ATOM 0 HD2 PRO A 12 14.601 29.711 -12.269 1.00 22.12 H new ATOM 0 HD3 PRO A 12 14.812 28.017 -11.871 1.00 22.12 H new ATOM 191 N ASN A 13 15.624 32.164 -9.762 1.00 41.30 N ATOM 192 CA ASN A 13 15.420 33.523 -9.244 1.00 75.43 C ATOM 193 C ASN A 13 16.640 34.399 -9.544 1.00 53.44 C ATOM 194 O ASN A 13 17.748 33.890 -9.730 1.00 60.03 O ATOM 195 CB ASN A 13 15.123 33.506 -7.734 1.00 5.35 C ATOM 196 CG ASN A 13 14.477 34.787 -7.240 1.00 12.51 C ATOM 197 OD1 ASN A 13 13.154 34.803 -7.203 1.00 74.54 O flip ATOM 198 ND2 ASN A 13 15.157 35.748 -6.879 1.00 31.22 N flip ATOM 0 H ASN A 13 15.062 31.951 -10.586 1.00 41.30 H new ATOM 0 HA ASN A 13 14.553 33.949 -9.749 1.00 75.43 H new ATOM 0 HB2 ASN A 13 14.467 32.665 -7.508 1.00 5.35 H new ATOM 0 HB3 ASN A 13 16.052 33.341 -7.189 1.00 5.35 H new ATOM 0 HD21 ASN A 13 16.175 35.698 -6.922 1.00 31.22 H new ATOM 0 HD22 ASN A 13 14.702 36.594 -6.537 1.00 31.22 H new ATOM 205 N PHE A 14 16.420 35.713 -9.614 1.00 62.35 N ATOM 206 CA PHE A 14 17.478 36.678 -9.929 1.00 0.14 C ATOM 207 C PHE A 14 18.004 36.485 -11.351 1.00 75.23 C ATOM 208 O PHE A 14 17.475 35.686 -12.126 1.00 23.43 O ATOM 209 CB PHE A 14 18.646 36.589 -8.934 1.00 41.22 C ATOM 210 CG PHE A 14 18.310 37.040 -7.541 1.00 21.33 C ATOM 211 CD1 PHE A 14 18.049 38.374 -7.275 1.00 5.43 C ATOM 212 CD2 PHE A 14 18.266 36.132 -6.498 1.00 23.12 C ATOM 213 CE1 PHE A 14 17.748 38.793 -5.994 1.00 32.32 C ATOM 214 CE2 PHE A 14 17.964 36.545 -5.214 1.00 54.41 C ATOM 215 CZ PHE A 14 17.705 37.877 -4.962 1.00 3.14 C ATOM 0 H PHE A 14 15.507 36.139 -9.455 1.00 62.35 H new ATOM 0 HA PHE A 14 17.029 37.668 -9.849 1.00 0.14 H new ATOM 0 HB2 PHE A 14 18.996 35.557 -8.894 1.00 41.22 H new ATOM 0 HB3 PHE A 14 19.473 37.192 -9.309 1.00 41.22 H new ATOM 0 HD1 PHE A 14 18.081 39.095 -8.079 1.00 5.43 H new ATOM 0 HD2 PHE A 14 18.470 35.089 -6.689 1.00 23.12 H new ATOM 0 HE1 PHE A 14 17.546 39.836 -5.800 1.00 32.32 H new ATOM 0 HE2 PHE A 14 17.931 35.826 -4.409 1.00 54.41 H new ATOM 0 HZ PHE A 14 17.469 38.202 -3.959 1.00 3.14 H new ATOM 225 N GLY A 15 19.034 37.246 -11.688 1.00 54.15 N ATOM 226 CA GLY A 15 19.675 37.122 -12.981 1.00 71.23 C ATOM 227 C GLY A 15 21.002 37.848 -13.006 1.00 65.22 C ATOM 228 O GLY A 15 21.363 38.481 -13.999 1.00 42.44 O ATOM 0 H GLY A 15 19.442 37.956 -11.080 1.00 54.15 H new ATOM 0 HA2 GLY A 15 19.830 36.068 -13.214 1.00 71.23 H new ATOM 0 HA3 GLY A 15 19.022 37.527 -13.754 1.00 71.23 H new ATOM 232 N GLY A 16 21.725 37.759 -11.900 1.00 14.53 N ATOM 233 CA GLY A 16 22.977 38.467 -11.772 1.00 0.24 C ATOM 234 C GLY A 16 22.881 39.595 -10.766 1.00 22.35 C ATOM 235 O GLY A 16 21.803 40.161 -10.564 1.00 73.33 O ATOM 0 H GLY A 16 21.463 37.205 -11.085 1.00 14.53 H new ATOM 0 HA2 GLY A 16 23.759 37.772 -11.466 1.00 0.24 H new ATOM 0 HA3 GLY A 16 23.269 38.868 -12.742 1.00 0.24 H new ATOM 239 N ASN A 17 23.995 39.912 -10.127 1.00 43.33 N ATOM 240 CA ASN A 17 24.030 40.982 -9.140 1.00 1.12 C ATOM 241 C ASN A 17 24.481 42.281 -9.791 1.00 62.33 C ATOM 242 O ASN A 17 25.216 42.262 -10.780 1.00 61.32 O ATOM 243 CB ASN A 17 24.971 40.625 -7.984 1.00 21.55 C ATOM 244 CG ASN A 17 24.488 39.440 -7.171 1.00 72.14 C ATOM 245 OD1 ASN A 17 23.289 39.178 -7.075 1.00 51.22 O ATOM 246 ND2 ASN A 17 25.425 38.718 -6.578 1.00 0.34 N ATOM 0 H ASN A 17 24.889 39.444 -10.273 1.00 43.33 H new ATOM 0 HA ASN A 17 23.024 41.111 -8.741 1.00 1.12 H new ATOM 0 HB2 ASN A 17 25.961 40.405 -8.383 1.00 21.55 H new ATOM 0 HB3 ASN A 17 25.077 41.489 -7.329 1.00 21.55 H new ATOM 0 HD21 ASN A 17 25.165 37.908 -6.015 1.00 0.34 H new ATOM 0 HD22 ASN A 17 26.407 38.971 -6.684 1.00 0.34 H new ATOM 253 N PRO A 18 24.040 43.430 -9.259 1.00 24.35 N ATOM 254 CA PRO A 18 24.425 44.739 -9.778 1.00 21.23 C ATOM 255 C PRO A 18 25.847 45.115 -9.369 1.00 14.44 C ATOM 256 O PRO A 18 26.057 45.943 -8.478 1.00 61.41 O ATOM 257 CB PRO A 18 23.408 45.706 -9.149 1.00 45.30 C ATOM 258 CG PRO A 18 22.442 44.859 -8.380 1.00 32.23 C ATOM 259 CD PRO A 18 23.136 43.556 -8.112 1.00 15.21 C ATOM 0 HA PRO A 18 24.418 44.762 -10.868 1.00 21.23 H new ATOM 0 HB2 PRO A 18 23.905 46.421 -8.494 1.00 45.30 H new ATOM 0 HB3 PRO A 18 22.893 46.283 -9.917 1.00 45.30 H new ATOM 0 HG2 PRO A 18 22.157 45.346 -7.447 1.00 32.23 H new ATOM 0 HG3 PRO A 18 21.526 44.701 -8.950 1.00 32.23 H new ATOM 0 HD2 PRO A 18 23.680 43.574 -7.168 1.00 15.21 H new ATOM 0 HD3 PRO A 18 22.432 42.726 -8.058 1.00 15.21 H new ATOM 267 N ASN A 19 26.822 44.488 -10.012 1.00 23.42 N ATOM 268 CA ASN A 19 28.225 44.707 -9.679 1.00 64.52 C ATOM 269 C ASN A 19 28.848 45.733 -10.617 1.00 63.24 C ATOM 270 O ASN A 19 28.134 46.489 -11.274 1.00 74.52 O ATOM 271 CB ASN A 19 29.003 43.388 -9.761 1.00 34.52 C ATOM 272 CG ASN A 19 28.496 42.334 -8.798 1.00 65.20 C ATOM 273 OD1 ASN A 19 27.992 42.642 -7.717 1.00 30.24 O ATOM 274 ND2 ASN A 19 28.631 41.078 -9.189 1.00 44.43 N ATOM 0 H ASN A 19 26.668 43.822 -10.769 1.00 23.42 H new ATOM 0 HA ASN A 19 28.277 45.089 -8.660 1.00 64.52 H new ATOM 0 HB2 ASN A 19 28.942 43.001 -10.778 1.00 34.52 H new ATOM 0 HB3 ASN A 19 30.056 43.582 -9.556 1.00 34.52 H new ATOM 0 HD21 ASN A 19 28.312 40.319 -8.587 1.00 44.43 H new ATOM 0 HD22 ASN A 19 29.054 40.868 -10.093 1.00 44.43 H new ATOM 281 N ASN A 20 30.185 45.739 -10.656 1.00 0.34 N ATOM 282 CA ASN A 20 30.982 46.631 -11.512 1.00 2.02 C ATOM 283 C ASN A 20 30.500 48.080 -11.505 1.00 40.34 C ATOM 284 O ASN A 20 29.686 48.495 -12.329 1.00 74.24 O ATOM 285 CB ASN A 20 31.119 46.100 -12.959 1.00 1.51 C ATOM 286 CG ASN A 20 29.807 45.708 -13.633 1.00 51.11 C ATOM 287 OD1 ASN A 20 29.371 44.558 -13.547 1.00 52.43 O ATOM 288 ND2 ASN A 20 29.179 46.646 -14.327 1.00 2.01 N ATOM 0 H ASN A 20 30.755 45.115 -10.085 1.00 0.34 H new ATOM 0 HA ASN A 20 31.975 46.632 -11.062 1.00 2.02 H new ATOM 0 HB2 ASN A 20 31.606 46.864 -13.565 1.00 1.51 H new ATOM 0 HB3 ASN A 20 31.778 45.232 -12.950 1.00 1.51 H new ATOM 0 HD21 ASN A 20 28.308 46.426 -14.810 1.00 2.01 H new ATOM 0 HD22 ASN A 20 29.567 47.588 -14.378 1.00 2.01 H new ATOM 295 N GLY A 21 31.022 48.851 -10.563 1.00 62.44 N ATOM 296 CA GLY A 21 30.759 50.276 -10.541 1.00 13.55 C ATOM 297 C GLY A 21 31.402 50.971 -11.724 1.00 0.45 C ATOM 298 O GLY A 21 30.930 52.016 -12.175 1.00 25.41 O ATOM 0 H GLY A 21 31.624 48.515 -9.812 1.00 62.44 H new ATOM 0 HA2 GLY A 21 29.683 50.450 -10.555 1.00 13.55 H new ATOM 0 HA3 GLY A 21 31.139 50.704 -9.614 1.00 13.55 H new ATOM 302 N ALA A 22 32.497 50.376 -12.204 1.00 11.14 N ATOM 303 CA ALA A 22 33.191 50.801 -13.423 1.00 24.15 C ATOM 304 C ALA A 22 34.002 52.076 -13.212 1.00 21.32 C ATOM 305 O ALA A 22 35.220 52.066 -13.392 1.00 64.10 O ATOM 306 CB ALA A 22 32.219 50.960 -14.589 1.00 21.11 C ATOM 0 H ALA A 22 32.933 49.573 -11.750 1.00 11.14 H new ATOM 0 HA ALA A 22 33.896 50.009 -13.674 1.00 24.15 H new ATOM 0 HB1 ALA A 22 32.765 51.276 -15.478 1.00 21.11 H new ATOM 0 HB2 ALA A 22 31.727 50.007 -14.785 1.00 21.11 H new ATOM 0 HB3 ALA A 22 31.469 51.710 -14.338 1.00 21.11 H new ATOM 312 N PHE A 23 33.320 53.154 -12.825 1.00 32.04 N ATOM 313 CA PHE A 23 33.939 54.469 -12.641 1.00 53.22 C ATOM 314 C PHE A 23 34.399 55.044 -13.983 1.00 65.32 C ATOM 315 O PHE A 23 35.469 54.706 -14.498 1.00 62.34 O ATOM 316 CB PHE A 23 35.104 54.397 -11.641 1.00 65.22 C ATOM 317 CG PHE A 23 35.703 55.733 -11.297 1.00 71.25 C ATOM 318 CD1 PHE A 23 37.067 55.945 -11.414 1.00 53.43 C ATOM 319 CD2 PHE A 23 34.901 56.774 -10.855 1.00 21.43 C ATOM 320 CE1 PHE A 23 37.621 57.170 -11.094 1.00 0.12 C ATOM 321 CE2 PHE A 23 35.449 58.001 -10.535 1.00 3.24 C ATOM 322 CZ PHE A 23 36.812 58.200 -10.655 1.00 64.54 C ATOM 0 H PHE A 23 32.319 53.141 -12.629 1.00 32.04 H new ATOM 0 HA PHE A 23 33.188 55.141 -12.226 1.00 53.22 H new ATOM 0 HB2 PHE A 23 34.753 53.922 -10.725 1.00 65.22 H new ATOM 0 HB3 PHE A 23 35.884 53.757 -12.054 1.00 65.22 H new ATOM 0 HD1 PHE A 23 37.704 55.144 -11.759 1.00 53.43 H new ATOM 0 HD2 PHE A 23 33.836 56.624 -10.760 1.00 21.43 H new ATOM 0 HE1 PHE A 23 38.686 57.322 -11.187 1.00 0.12 H new ATOM 0 HE2 PHE A 23 34.814 58.804 -10.191 1.00 3.24 H new ATOM 0 HZ PHE A 23 37.243 59.158 -10.406 1.00 64.54 H new ATOM 332 N LEU A 24 33.561 55.899 -14.554 1.00 53.34 N ATOM 333 CA LEU A 24 33.831 56.494 -15.855 1.00 51.34 C ATOM 334 C LEU A 24 34.237 57.956 -15.712 1.00 45.44 C ATOM 335 O LEU A 24 34.379 58.464 -14.600 1.00 10.11 O ATOM 336 CB LEU A 24 32.601 56.398 -16.771 1.00 62.32 C ATOM 337 CG LEU A 24 32.281 55.010 -17.342 1.00 3.14 C ATOM 338 CD1 LEU A 24 31.788 54.065 -16.259 1.00 23.03 C ATOM 339 CD2 LEU A 24 31.246 55.127 -18.447 1.00 11.23 C ATOM 0 H LEU A 24 32.682 56.198 -14.132 1.00 53.34 H new ATOM 0 HA LEU A 24 34.654 55.936 -16.302 1.00 51.34 H new ATOM 0 HB2 LEU A 24 31.732 56.746 -16.213 1.00 62.32 H new ATOM 0 HB3 LEU A 24 32.742 57.086 -17.605 1.00 62.32 H new ATOM 0 HG LEU A 24 33.201 54.595 -17.754 1.00 3.14 H new ATOM 0 HD11 LEU A 24 31.570 53.091 -16.697 1.00 23.03 H new ATOM 0 HD12 LEU A 24 32.557 53.955 -15.494 1.00 23.03 H new ATOM 0 HD13 LEU A 24 30.882 54.470 -15.807 1.00 23.03 H new ATOM 0 HD21 LEU A 24 31.026 54.137 -18.846 1.00 11.23 H new ATOM 0 HD22 LEU A 24 30.333 55.568 -18.046 1.00 11.23 H new ATOM 0 HD23 LEU A 24 31.635 55.761 -19.244 1.00 11.23 H new ATOM 351 N LEU A 25 34.410 58.615 -16.859 1.00 14.23 N ATOM 352 CA LEU A 25 34.777 60.027 -16.924 1.00 22.42 C ATOM 353 C LEU A 25 36.095 60.298 -16.211 1.00 42.44 C ATOM 354 O LEU A 25 36.125 60.867 -15.119 1.00 41.32 O ATOM 355 CB LEU A 25 33.671 60.923 -16.351 1.00 52.44 C ATOM 356 CG LEU A 25 32.361 60.941 -17.143 1.00 3.52 C ATOM 357 CD1 LEU A 25 31.366 61.885 -16.490 1.00 35.34 C ATOM 358 CD2 LEU A 25 32.614 61.347 -18.587 1.00 34.05 C ATOM 0 H LEU A 25 34.298 58.179 -17.774 1.00 14.23 H new ATOM 0 HA LEU A 25 34.904 60.271 -17.979 1.00 22.42 H new ATOM 0 HB2 LEU A 25 33.455 60.598 -15.333 1.00 52.44 H new ATOM 0 HB3 LEU A 25 34.050 61.943 -16.287 1.00 52.44 H new ATOM 0 HG LEU A 25 31.940 59.936 -17.141 1.00 3.52 H new ATOM 0 HD11 LEU A 25 30.439 61.889 -17.063 1.00 35.34 H new ATOM 0 HD12 LEU A 25 31.163 61.552 -15.472 1.00 35.34 H new ATOM 0 HD13 LEU A 25 31.782 62.892 -16.466 1.00 35.34 H new ATOM 0 HD21 LEU A 25 31.671 61.354 -19.134 1.00 34.05 H new ATOM 0 HD22 LEU A 25 33.056 62.343 -18.613 1.00 34.05 H new ATOM 0 HD23 LEU A 25 33.297 60.635 -19.051 1.00 34.05 H new ATOM 370 N ASN A 26 37.182 59.861 -16.827 1.00 73.20 N ATOM 371 CA ASN A 26 38.516 60.139 -16.321 1.00 60.40 C ATOM 372 C ASN A 26 39.328 60.815 -17.409 1.00 55.24 C ATOM 373 O ASN A 26 39.970 60.145 -18.216 1.00 70.31 O ATOM 374 CB ASN A 26 39.227 58.860 -15.853 1.00 52.12 C ATOM 375 CG ASN A 26 38.582 58.223 -14.635 1.00 31.52 C ATOM 376 OD1 ASN A 26 37.997 59.034 -13.770 1.00 61.41 O flip ATOM 377 ND2 ASN A 26 38.623 57.005 -14.466 1.00 0.40 N flip ATOM 0 H ASN A 26 37.165 59.308 -17.684 1.00 73.20 H new ATOM 0 HA ASN A 26 38.425 60.796 -15.456 1.00 60.40 H new ATOM 0 HB2 ASN A 26 39.235 58.138 -16.670 1.00 52.12 H new ATOM 0 HB3 ASN A 26 40.267 59.094 -15.624 1.00 52.12 H new ATOM 0 HD21 ASN A 26 39.083 56.410 -15.155 1.00 0.40 H new ATOM 0 HD22 ASN A 26 38.197 56.590 -13.637 1.00 0.40 H new ATOM 384 N SER A 27 39.266 62.140 -17.449 1.00 41.42 N ATOM 385 CA SER A 27 39.935 62.903 -18.486 1.00 71.35 C ATOM 386 C SER A 27 41.450 62.879 -18.289 1.00 32.44 C ATOM 387 O SER A 27 42.010 63.674 -17.528 1.00 10.41 O ATOM 388 CB SER A 27 39.416 64.340 -18.498 1.00 30.22 C ATOM 389 OG SER A 27 38.003 64.370 -18.639 1.00 62.34 O ATOM 0 H SER A 27 38.756 62.707 -16.771 1.00 41.42 H new ATOM 0 HA SER A 27 39.715 62.443 -19.449 1.00 71.35 H new ATOM 0 HB2 SER A 27 39.704 64.842 -17.574 1.00 30.22 H new ATOM 0 HB3 SER A 27 39.879 64.891 -19.317 1.00 30.22 H new ATOM 0 HG SER A 27 37.761 64.136 -19.559 1.00 62.34 H new ATOM 395 N ALA A 28 42.098 61.933 -18.948 1.00 11.40 N ATOM 396 CA ALA A 28 43.543 61.817 -18.906 1.00 74.12 C ATOM 397 C ALA A 28 44.159 62.658 -20.011 1.00 32.20 C ATOM 398 O ALA A 28 43.571 62.816 -21.080 1.00 40.33 O ATOM 399 CB ALA A 28 43.962 60.362 -19.040 1.00 11.11 C ATOM 0 H ALA A 28 41.638 61.228 -19.524 1.00 11.40 H new ATOM 0 HA ALA A 28 43.902 62.185 -17.945 1.00 74.12 H new ATOM 0 HB1 ALA A 28 45.049 60.292 -19.007 1.00 11.11 H new ATOM 0 HB2 ALA A 28 43.536 59.784 -18.220 1.00 11.11 H new ATOM 0 HB3 ALA A 28 43.602 59.966 -19.989 1.00 11.11 H new ATOM 405 N GLN A 29 45.353 63.169 -19.764 1.00 51.32 N ATOM 406 CA GLN A 29 46.000 64.100 -20.683 1.00 50.44 C ATOM 407 C GLN A 29 46.742 63.363 -21.795 1.00 51.32 C ATOM 408 O GLN A 29 47.921 63.615 -22.048 1.00 65.31 O ATOM 409 CB GLN A 29 46.959 64.999 -19.905 1.00 25.01 C ATOM 410 CG GLN A 29 46.264 65.805 -18.819 1.00 22.41 C ATOM 411 CD GLN A 29 47.234 66.547 -17.925 1.00 13.34 C ATOM 412 OE1 GLN A 29 48.323 66.929 -18.350 1.00 43.24 O ATOM 413 NE2 GLN A 29 46.843 66.751 -16.676 1.00 45.43 N ATOM 0 H GLN A 29 45.900 62.955 -18.930 1.00 51.32 H new ATOM 0 HA GLN A 29 45.230 64.711 -21.154 1.00 50.44 H new ATOM 0 HB2 GLN A 29 47.738 64.385 -19.453 1.00 25.01 H new ATOM 0 HB3 GLN A 29 47.452 65.681 -20.597 1.00 25.01 H new ATOM 0 HG2 GLN A 29 45.585 66.520 -19.283 1.00 22.41 H new ATOM 0 HG3 GLN A 29 45.655 65.136 -18.210 1.00 22.41 H new ATOM 0 HE21 GLN A 29 45.931 66.417 -16.366 1.00 45.43 H new ATOM 0 HE22 GLN A 29 47.454 67.243 -16.024 1.00 45.43 H new ATOM 422 N ALA A 30 46.040 62.457 -22.459 1.00 32.35 N ATOM 423 CA ALA A 30 46.608 61.720 -23.578 1.00 75.25 C ATOM 424 C ALA A 30 46.472 62.531 -24.861 1.00 2.24 C ATOM 425 O ALA A 30 47.364 62.519 -25.710 1.00 44.53 O ATOM 426 CB ALA A 30 45.935 60.363 -23.725 1.00 53.52 C ATOM 0 H ALA A 30 45.074 62.214 -22.242 1.00 32.35 H new ATOM 0 HA ALA A 30 47.667 61.551 -23.383 1.00 75.25 H new ATOM 0 HB1 ALA A 30 46.374 59.828 -24.567 1.00 53.52 H new ATOM 0 HB2 ALA A 30 46.080 59.784 -22.813 1.00 53.52 H new ATOM 0 HB3 ALA A 30 44.868 60.503 -23.901 1.00 53.52 H new ATOM 432 N GLN A 31 45.355 63.252 -24.966 1.00 62.43 N ATOM 433 CA GLN A 31 45.066 64.129 -26.100 1.00 45.15 C ATOM 434 C GLN A 31 44.952 63.335 -27.404 1.00 11.34 C ATOM 435 O GLN A 31 44.854 62.106 -27.382 1.00 33.30 O ATOM 436 CB GLN A 31 46.133 65.224 -26.206 1.00 15.14 C ATOM 437 CG GLN A 31 45.572 66.579 -26.606 1.00 52.33 C ATOM 438 CD GLN A 31 46.591 67.695 -26.481 1.00 4.22 C ATOM 439 OE1 GLN A 31 47.794 67.486 -26.655 1.00 75.53 O ATOM 440 NE2 GLN A 31 46.117 68.883 -26.151 1.00 5.45 N ATOM 0 H GLN A 31 44.619 63.243 -24.260 1.00 62.43 H new ATOM 0 HA GLN A 31 44.100 64.605 -25.929 1.00 45.15 H new ATOM 0 HB2 GLN A 31 46.642 65.319 -25.247 1.00 15.14 H new ATOM 0 HB3 GLN A 31 46.883 64.920 -26.936 1.00 15.14 H new ATOM 0 HG2 GLN A 31 45.217 66.531 -27.635 1.00 52.33 H new ATOM 0 HG3 GLN A 31 44.709 66.809 -25.981 1.00 52.33 H new ATOM 0 HE21 GLN A 31 45.114 69.013 -26.017 1.00 5.45 H new ATOM 0 HE22 GLN A 31 46.754 69.671 -26.031 1.00 5.45 H new ATOM 449 N ASN A 32 44.951 64.057 -28.528 1.00 32.35 N ATOM 450 CA ASN A 32 44.781 63.470 -29.863 1.00 60.00 C ATOM 451 C ASN A 32 43.335 63.034 -30.091 1.00 24.31 C ATOM 452 O ASN A 32 42.525 63.010 -29.165 1.00 12.35 O ATOM 453 CB ASN A 32 45.754 62.305 -30.108 1.00 55.23 C ATOM 454 CG ASN A 32 47.185 62.779 -30.296 1.00 52.21 C ATOM 455 OD1 ASN A 32 47.943 62.920 -29.336 1.00 64.01 O ATOM 456 ND2 ASN A 32 47.569 63.019 -31.540 1.00 12.22 N ATOM 0 H ASN A 32 45.069 65.070 -28.539 1.00 32.35 H new ATOM 0 HA ASN A 32 45.020 64.247 -30.589 1.00 60.00 H new ATOM 0 HB2 ASN A 32 45.710 61.615 -29.266 1.00 55.23 H new ATOM 0 HB3 ASN A 32 45.438 61.750 -30.992 1.00 55.23 H new ATOM 0 HD21 ASN A 32 48.521 63.332 -31.728 1.00 12.22 H new ATOM 0 HD22 ASN A 32 46.913 62.891 -32.310 1.00 12.22 H new ATOM 463 N SER A 33 43.009 62.708 -31.334 1.00 43.41 N ATOM 464 CA SER A 33 41.628 62.430 -31.707 1.00 24.32 C ATOM 465 C SER A 33 41.241 60.973 -31.465 1.00 0.13 C ATOM 466 O SER A 33 40.058 60.653 -31.341 1.00 23.01 O ATOM 467 CB SER A 33 41.415 62.780 -33.179 1.00 74.21 C ATOM 468 OG SER A 33 41.847 64.103 -33.453 1.00 5.52 O ATOM 0 H SER A 33 43.679 62.630 -32.099 1.00 43.41 H new ATOM 0 HA SER A 33 40.989 63.046 -31.074 1.00 24.32 H new ATOM 0 HB2 SER A 33 41.963 62.077 -33.807 1.00 74.21 H new ATOM 0 HB3 SER A 33 40.360 62.678 -33.432 1.00 74.21 H new ATOM 0 HG SER A 33 41.703 64.304 -34.401 1.00 5.52 H new ATOM 474 N TYR A 34 42.223 60.088 -31.402 1.00 44.31 N ATOM 475 CA TYR A 34 41.933 58.669 -31.290 1.00 61.24 C ATOM 476 C TYR A 34 42.779 58.017 -30.204 1.00 73.24 C ATOM 477 O TYR A 34 43.983 57.809 -30.375 1.00 62.43 O ATOM 478 CB TYR A 34 42.160 57.977 -32.639 1.00 13.13 C ATOM 479 CG TYR A 34 41.650 56.552 -32.696 1.00 74.24 C ATOM 480 CD1 TYR A 34 42.529 55.476 -32.700 1.00 25.42 C ATOM 481 CD2 TYR A 34 40.288 56.284 -32.755 1.00 64.13 C ATOM 482 CE1 TYR A 34 42.065 54.175 -32.759 1.00 53.30 C ATOM 483 CE2 TYR A 34 39.816 54.986 -32.812 1.00 70.13 C ATOM 484 CZ TYR A 34 40.707 53.935 -32.815 1.00 21.34 C ATOM 485 OH TYR A 34 40.240 52.639 -32.873 1.00 74.43 O ATOM 0 H TYR A 34 43.215 60.323 -31.426 1.00 44.31 H new ATOM 0 HA TYR A 34 40.886 58.556 -31.007 1.00 61.24 H new ATOM 0 HB2 TYR A 34 41.671 58.558 -33.420 1.00 13.13 H new ATOM 0 HB3 TYR A 34 43.227 57.979 -32.861 1.00 13.13 H new ATOM 0 HD1 TYR A 34 43.592 55.659 -32.656 1.00 25.42 H new ATOM 0 HD2 TYR A 34 39.586 57.104 -32.756 1.00 64.13 H new ATOM 0 HE1 TYR A 34 42.762 53.350 -32.761 1.00 53.30 H new ATOM 0 HE2 TYR A 34 38.754 54.797 -32.854 1.00 70.13 H new ATOM 0 HH TYR A 34 40.774 52.072 -32.278 1.00 74.43 H new ATOM 495 N LYS A 35 42.145 57.725 -29.079 1.00 52.32 N ATOM 496 CA LYS A 35 42.785 56.988 -28.001 1.00 32.34 C ATOM 497 C LYS A 35 41.849 55.883 -27.534 1.00 3.52 C ATOM 498 O LYS A 35 40.821 56.151 -26.911 1.00 34.43 O ATOM 499 CB LYS A 35 43.138 57.915 -26.834 1.00 4.45 C ATOM 500 CG LYS A 35 44.008 57.254 -25.775 1.00 64.01 C ATOM 501 CD LYS A 35 45.402 56.960 -26.309 1.00 53.33 C ATOM 502 CE LYS A 35 46.223 56.125 -25.337 1.00 71.43 C ATOM 503 NZ LYS A 35 45.678 54.749 -25.187 1.00 25.44 N1+ ATOM 0 H LYS A 35 41.179 57.990 -28.888 1.00 52.32 H new ATOM 0 HA LYS A 35 43.714 56.553 -28.370 1.00 32.34 H new ATOM 0 HB2 LYS A 35 43.655 58.793 -27.221 1.00 4.45 H new ATOM 0 HB3 LYS A 35 42.217 58.267 -26.369 1.00 4.45 H new ATOM 0 HG2 LYS A 35 44.080 57.904 -24.903 1.00 64.01 H new ATOM 0 HG3 LYS A 35 43.540 56.327 -25.444 1.00 64.01 H new ATOM 0 HD2 LYS A 35 45.322 56.434 -27.260 1.00 53.33 H new ATOM 0 HD3 LYS A 35 45.919 57.899 -26.507 1.00 53.33 H new ATOM 0 HE2 LYS A 35 47.254 56.071 -25.687 1.00 71.43 H new ATOM 0 HE3 LYS A 35 46.242 56.616 -24.364 1.00 71.43 H new ATOM 0 HZ1 LYS A 35 46.375 54.151 -24.699 1.00 25.44 H new ATOM 0 HZ2 LYS A 35 44.800 54.782 -24.630 1.00 25.44 H new ATOM 0 HZ3 LYS A 35 45.477 54.351 -26.127 1.00 25.44 H new ATOM 517 N ASP A 36 42.203 54.651 -27.853 1.00 74.53 N ATOM 518 CA ASP A 36 41.339 53.506 -27.590 1.00 12.22 C ATOM 519 C ASP A 36 42.171 52.316 -27.118 1.00 2.12 C ATOM 520 O ASP A 36 43.395 52.330 -27.243 1.00 1.02 O ATOM 521 CB ASP A 36 40.566 53.134 -28.865 1.00 13.10 C ATOM 522 CG ASP A 36 41.404 52.343 -29.855 1.00 53.20 C ATOM 523 OD1 ASP A 36 42.562 52.730 -30.115 1.00 0.23 O ATOM 524 OD2 ASP A 36 40.903 51.329 -30.381 1.00 61.43 O1- ATOM 0 H ASP A 36 43.089 54.413 -28.298 1.00 74.53 H new ATOM 0 HA ASP A 36 40.629 53.770 -26.806 1.00 12.22 H new ATOM 0 HB2 ASP A 36 39.687 52.550 -28.593 1.00 13.10 H new ATOM 0 HB3 ASP A 36 40.208 54.045 -29.346 1.00 13.10 H new ATOM 529 N PRO A 37 41.532 51.273 -26.561 1.00 13.20 N ATOM 530 CA PRO A 37 42.236 50.051 -26.155 1.00 63.51 C ATOM 531 C PRO A 37 42.897 49.360 -27.346 1.00 54.33 C ATOM 532 O PRO A 37 43.902 48.664 -27.190 1.00 45.11 O ATOM 533 CB PRO A 37 41.128 49.168 -25.568 1.00 21.24 C ATOM 534 CG PRO A 37 39.856 49.724 -26.111 1.00 41.34 C ATOM 535 CD PRO A 37 40.090 51.198 -26.273 1.00 70.22 C ATOM 0 HA PRO A 37 43.042 50.256 -25.450 1.00 63.51 H new ATOM 0 HB2 PRO A 37 41.259 48.126 -25.860 1.00 21.24 H new ATOM 0 HB3 PRO A 37 41.137 49.197 -24.478 1.00 21.24 H new ATOM 0 HG2 PRO A 37 39.603 49.261 -27.065 1.00 41.34 H new ATOM 0 HG3 PRO A 37 39.024 49.532 -25.433 1.00 41.34 H new ATOM 0 HD2 PRO A 37 39.494 51.615 -27.085 1.00 70.22 H new ATOM 0 HD3 PRO A 37 39.829 51.750 -25.370 1.00 70.22 H new ATOM 543 N SER A 38 42.324 49.588 -28.532 1.00 14.04 N ATOM 544 CA SER A 38 42.791 48.996 -29.784 1.00 55.00 C ATOM 545 C SER A 38 42.548 47.488 -29.795 1.00 15.51 C ATOM 546 O SER A 38 41.625 47.008 -30.453 1.00 61.15 O ATOM 547 CB SER A 38 44.270 49.323 -30.025 1.00 62.11 C ATOM 548 OG SER A 38 44.499 50.726 -29.971 1.00 2.22 O ATOM 0 H SER A 38 41.514 50.196 -28.648 1.00 14.04 H new ATOM 0 HA SER A 38 42.217 49.432 -30.602 1.00 55.00 H new ATOM 0 HB2 SER A 38 44.883 48.822 -29.276 1.00 62.11 H new ATOM 0 HB3 SER A 38 44.577 48.938 -30.998 1.00 62.11 H new ATOM 0 HG SER A 38 43.643 51.200 -30.029 1.00 2.22 H new ATOM 554 N TYR A 39 43.360 46.758 -29.046 1.00 43.44 N ATOM 555 CA TYR A 39 43.218 45.316 -28.919 1.00 20.45 C ATOM 556 C TYR A 39 43.563 44.889 -27.501 1.00 62.10 C ATOM 557 O TYR A 39 44.119 45.677 -26.734 1.00 24.30 O ATOM 558 CB TYR A 39 44.116 44.579 -29.918 1.00 32.34 C ATOM 559 CG TYR A 39 43.622 44.636 -31.348 1.00 55.01 C ATOM 560 CD1 TYR A 39 42.498 43.918 -31.738 1.00 1.41 C ATOM 561 CD2 TYR A 39 44.277 45.400 -32.306 1.00 62.40 C ATOM 562 CE1 TYR A 39 42.045 43.954 -33.041 1.00 74.42 C ATOM 563 CE2 TYR A 39 43.828 45.443 -33.613 1.00 23.44 C ATOM 564 CZ TYR A 39 42.710 44.719 -33.974 1.00 40.22 C ATOM 565 OH TYR A 39 42.258 44.753 -35.274 1.00 3.35 O ATOM 0 H TYR A 39 44.135 47.148 -28.510 1.00 43.44 H new ATOM 0 HA TYR A 39 42.183 45.055 -29.139 1.00 20.45 H new ATOM 0 HB2 TYR A 39 45.118 45.005 -29.873 1.00 32.34 H new ATOM 0 HB3 TYR A 39 44.200 43.535 -29.615 1.00 32.34 H new ATOM 0 HD1 TYR A 39 41.970 43.322 -31.009 1.00 1.41 H new ATOM 0 HD2 TYR A 39 45.151 45.969 -32.025 1.00 62.40 H new ATOM 0 HE1 TYR A 39 41.173 43.385 -33.328 1.00 74.42 H new ATOM 0 HE2 TYR A 39 44.349 46.040 -34.347 1.00 23.44 H new ATOM 0 HH TYR A 39 42.836 45.339 -35.806 1.00 3.35 H new ATOM 575 N ASN A 40 43.223 43.647 -27.165 1.00 65.22 N ATOM 576 CA ASN A 40 43.519 43.069 -25.854 1.00 3.22 C ATOM 577 C ASN A 40 42.658 43.725 -24.777 1.00 70.45 C ATOM 578 O ASN A 40 43.040 44.740 -24.189 1.00 15.21 O ATOM 579 CB ASN A 40 45.011 43.198 -25.512 1.00 75.20 C ATOM 580 CG ASN A 40 45.404 42.390 -24.290 1.00 64.02 C ATOM 581 OD1 ASN A 40 45.313 42.863 -23.159 1.00 40.50 O ATOM 582 ND2 ASN A 40 45.869 41.172 -24.518 1.00 70.04 N ATOM 0 H ASN A 40 42.734 43.011 -27.794 1.00 65.22 H new ATOM 0 HA ASN A 40 43.279 42.006 -25.891 1.00 3.22 H new ATOM 0 HB2 ASN A 40 45.605 42.870 -26.365 1.00 75.20 H new ATOM 0 HB3 ASN A 40 45.251 44.247 -25.341 1.00 75.20 H new ATOM 0 HD21 ASN A 40 46.169 40.586 -23.739 1.00 70.04 H new ATOM 0 HD22 ASN A 40 45.927 40.819 -25.473 1.00 70.04 H new ATOM 589 N ASP A 41 41.487 43.130 -24.547 1.00 1.43 N ATOM 590 CA ASP A 41 40.488 43.652 -23.611 1.00 42.41 C ATOM 591 C ASP A 41 39.989 45.021 -24.064 1.00 73.04 C ATOM 592 O ASP A 41 40.569 46.062 -23.741 1.00 20.40 O ATOM 593 CB ASP A 41 41.029 43.724 -22.178 1.00 75.34 C ATOM 594 CG ASP A 41 39.930 43.964 -21.157 1.00 44.10 C ATOM 595 OD1 ASP A 41 40.216 44.556 -20.094 1.00 61.14 O ATOM 596 OD2 ASP A 41 38.779 43.545 -21.403 1.00 31.02 O1- ATOM 0 H ASP A 41 41.202 42.266 -25.008 1.00 1.43 H new ATOM 0 HA ASP A 41 39.650 42.955 -23.610 1.00 42.41 H new ATOM 0 HB2 ASP A 41 41.546 42.794 -21.940 1.00 75.34 H new ATOM 0 HB3 ASP A 41 41.766 44.524 -22.110 1.00 75.34 H new ATOM 601 N ASP A 42 38.895 45.005 -24.807 1.00 64.11 N ATOM 602 CA ASP A 42 38.368 46.200 -25.453 1.00 22.32 C ATOM 603 C ASP A 42 37.476 46.990 -24.498 1.00 12.21 C ATOM 604 O ASP A 42 36.552 47.681 -24.928 1.00 2.23 O ATOM 605 CB ASP A 42 37.555 45.814 -26.696 1.00 70.12 C ATOM 606 CG ASP A 42 38.264 44.822 -27.597 1.00 70.01 C ATOM 607 OD1 ASP A 42 37.847 43.640 -27.628 1.00 24.15 O ATOM 608 OD2 ASP A 42 39.233 45.210 -28.282 1.00 23.10 O1- ATOM 0 H ASP A 42 38.345 44.164 -24.981 1.00 64.11 H new ATOM 0 HA ASP A 42 39.214 46.823 -25.744 1.00 22.32 H new ATOM 0 HB2 ASP A 42 36.602 45.389 -26.380 1.00 70.12 H new ATOM 0 HB3 ASP A 42 37.329 46.715 -27.267 1.00 70.12 H new ATOM 613 N PHE A 43 37.769 46.909 -23.206 1.00 34.33 N ATOM 614 CA PHE A 43 36.956 47.572 -22.187 1.00 42.52 C ATOM 615 C PHE A 43 37.047 49.091 -22.322 1.00 55.15 C ATOM 616 O PHE A 43 36.125 49.815 -21.942 1.00 42.21 O ATOM 617 CB PHE A 43 37.407 47.144 -20.779 1.00 45.40 C ATOM 618 CG PHE A 43 38.677 47.809 -20.309 1.00 60.21 C ATOM 619 CD1 PHE A 43 38.638 48.766 -19.306 1.00 61.42 C ATOM 620 CD2 PHE A 43 39.903 47.482 -20.865 1.00 74.23 C ATOM 621 CE1 PHE A 43 39.795 49.384 -18.872 1.00 3.13 C ATOM 622 CE2 PHE A 43 41.064 48.097 -20.432 1.00 34.35 C ATOM 623 CZ PHE A 43 41.009 49.047 -19.433 1.00 75.22 C ATOM 0 H PHE A 43 38.565 46.390 -22.836 1.00 34.33 H new ATOM 0 HA PHE A 43 35.919 47.272 -22.335 1.00 42.52 H new ATOM 0 HB2 PHE A 43 36.609 47.367 -20.070 1.00 45.40 H new ATOM 0 HB3 PHE A 43 37.550 46.063 -20.768 1.00 45.40 H new ATOM 0 HD1 PHE A 43 37.692 49.031 -18.859 1.00 61.42 H new ATOM 0 HD2 PHE A 43 39.953 46.738 -21.646 1.00 74.23 H new ATOM 0 HE1 PHE A 43 39.749 50.131 -18.093 1.00 3.13 H new ATOM 0 HE2 PHE A 43 42.013 47.834 -20.876 1.00 34.35 H new ATOM 0 HZ PHE A 43 41.915 49.526 -19.091 1.00 75.22 H new ATOM 633 N GLY A 44 38.153 49.557 -22.900 1.00 3.11 N ATOM 634 CA GLY A 44 38.427 50.982 -22.985 1.00 42.15 C ATOM 635 C GLY A 44 37.427 51.738 -23.839 1.00 3.45 C ATOM 636 O GLY A 44 37.338 52.960 -23.759 1.00 74.52 O ATOM 0 H GLY A 44 38.872 48.964 -23.315 1.00 3.11 H new ATOM 0 HA2 GLY A 44 38.428 51.405 -21.980 1.00 42.15 H new ATOM 0 HA3 GLY A 44 39.427 51.128 -23.394 1.00 42.15 H new ATOM 640 N ILE A 45 36.670 51.011 -24.654 1.00 51.24 N ATOM 641 CA ILE A 45 35.668 51.624 -25.522 1.00 71.42 C ATOM 642 C ILE A 45 34.557 52.272 -24.690 1.00 20.41 C ATOM 643 O ILE A 45 33.903 53.220 -25.124 1.00 25.51 O ATOM 644 CB ILE A 45 35.052 50.582 -26.487 1.00 34.42 C ATOM 645 CG1 ILE A 45 36.153 49.889 -27.295 1.00 11.31 C ATOM 646 CG2 ILE A 45 34.046 51.242 -27.423 1.00 54.24 C ATOM 647 CD1 ILE A 45 35.640 48.786 -28.201 1.00 75.24 C ATOM 0 H ILE A 45 36.731 49.996 -24.732 1.00 51.24 H new ATOM 0 HA ILE A 45 36.169 52.392 -26.111 1.00 71.42 H new ATOM 0 HB ILE A 45 34.528 49.833 -25.893 1.00 34.42 H new ATOM 0 HG12 ILE A 45 36.671 50.633 -27.900 1.00 11.31 H new ATOM 0 HG13 ILE A 45 36.888 49.470 -26.607 1.00 11.31 H new ATOM 0 HG21 ILE A 45 33.625 50.492 -28.093 1.00 54.24 H new ATOM 0 HG22 ILE A 45 33.246 51.695 -26.837 1.00 54.24 H new ATOM 0 HG23 ILE A 45 34.546 52.012 -28.010 1.00 54.24 H new ATOM 0 HD11 ILE A 45 36.475 48.341 -28.741 1.00 75.24 H new ATOM 0 HD12 ILE A 45 35.148 48.021 -27.600 1.00 75.24 H new ATOM 0 HD13 ILE A 45 34.928 49.202 -28.913 1.00 75.24 H new ATOM 659 N GLU A 46 34.373 51.770 -23.478 1.00 65.21 N ATOM 660 CA GLU A 46 33.300 52.239 -22.613 1.00 41.54 C ATOM 661 C GLU A 46 33.860 52.983 -21.405 1.00 5.12 C ATOM 662 O GLU A 46 33.137 53.275 -20.455 1.00 43.23 O ATOM 663 CB GLU A 46 32.451 51.054 -22.162 1.00 55.55 C ATOM 664 CG GLU A 46 31.905 50.238 -23.322 1.00 14.53 C ATOM 665 CD GLU A 46 31.194 48.981 -22.872 1.00 0.14 C ATOM 666 OE1 GLU A 46 29.946 48.966 -22.878 1.00 65.32 O ATOM 667 OE2 GLU A 46 31.884 47.999 -22.522 1.00 5.55 O1- ATOM 0 H GLU A 46 34.953 51.037 -23.071 1.00 65.21 H new ATOM 0 HA GLU A 46 32.676 52.934 -23.175 1.00 41.54 H new ATOM 0 HB2 GLU A 46 33.051 50.408 -21.521 1.00 55.55 H new ATOM 0 HB3 GLU A 46 31.620 51.419 -21.559 1.00 55.55 H new ATOM 0 HG2 GLU A 46 31.215 50.853 -23.900 1.00 14.53 H new ATOM 0 HG3 GLU A 46 32.725 49.968 -23.988 1.00 14.53 H new ATOM 674 N THR A 47 35.147 53.296 -21.448 1.00 53.34 N ATOM 675 CA THR A 47 35.790 54.015 -20.359 1.00 11.21 C ATOM 676 C THR A 47 36.473 55.284 -20.870 1.00 2.33 C ATOM 677 O THR A 47 37.656 55.265 -21.224 1.00 31.14 O ATOM 678 CB THR A 47 36.818 53.138 -19.612 1.00 14.13 C ATOM 679 OG1 THR A 47 37.783 52.613 -20.530 1.00 60.32 O ATOM 680 CG2 THR A 47 36.132 51.995 -18.880 1.00 31.14 C ATOM 0 H THR A 47 35.766 53.063 -22.225 1.00 53.34 H new ATOM 0 HA THR A 47 35.003 54.288 -19.656 1.00 11.21 H new ATOM 0 HB THR A 47 37.323 53.766 -18.878 1.00 14.13 H new ATOM 0 HG1 THR A 47 38.101 53.331 -21.116 1.00 60.32 H new ATOM 0 HG21 THR A 47 36.879 51.394 -18.363 1.00 31.14 H new ATOM 0 HG22 THR A 47 35.426 52.399 -18.155 1.00 31.14 H new ATOM 0 HG23 THR A 47 35.598 51.372 -19.597 1.00 31.14 H new ATOM 688 N PRO A 48 35.725 56.397 -20.954 1.00 63.35 N ATOM 689 CA PRO A 48 36.243 57.664 -21.476 1.00 21.13 C ATOM 690 C PRO A 48 37.463 58.163 -20.707 1.00 23.22 C ATOM 691 O PRO A 48 37.338 58.730 -19.621 1.00 30.10 O ATOM 692 CB PRO A 48 35.071 58.637 -21.312 1.00 72.10 C ATOM 693 CG PRO A 48 33.864 57.773 -21.215 1.00 2.42 C ATOM 694 CD PRO A 48 34.316 56.509 -20.540 1.00 3.12 C ATOM 0 HA PRO A 48 36.583 57.560 -22.506 1.00 21.13 H new ATOM 0 HB2 PRO A 48 35.190 59.251 -20.419 1.00 72.10 H new ATOM 0 HB3 PRO A 48 35.002 59.318 -22.160 1.00 72.10 H new ATOM 0 HG2 PRO A 48 33.078 58.263 -20.641 1.00 2.42 H new ATOM 0 HG3 PRO A 48 33.453 57.563 -22.203 1.00 2.42 H new ATOM 0 HD2 PRO A 48 34.218 56.573 -19.456 1.00 3.12 H new ATOM 0 HD3 PRO A 48 33.731 55.648 -20.863 1.00 3.12 H new ATOM 702 N SER A 49 38.639 57.906 -21.267 1.00 1.52 N ATOM 703 CA SER A 49 39.886 58.385 -20.690 1.00 71.45 C ATOM 704 C SER A 49 40.422 59.570 -21.491 1.00 5.40 C ATOM 705 O SER A 49 40.839 60.579 -20.929 1.00 55.33 O ATOM 706 CB SER A 49 40.920 57.259 -20.660 1.00 4.01 C ATOM 707 OG SER A 49 40.379 56.088 -20.073 1.00 52.25 O ATOM 0 H SER A 49 38.754 57.366 -22.124 1.00 1.52 H new ATOM 0 HA SER A 49 39.693 58.713 -19.669 1.00 71.45 H new ATOM 0 HB2 SER A 49 41.254 57.040 -21.674 1.00 4.01 H new ATOM 0 HB3 SER A 49 41.797 57.580 -20.098 1.00 4.01 H new ATOM 0 HG SER A 49 39.598 55.795 -20.587 1.00 52.25 H new ATOM 713 N ALA A 50 40.434 59.428 -22.811 1.00 4.34 N ATOM 714 CA ALA A 50 40.819 60.524 -23.690 1.00 71.23 C ATOM 715 C ALA A 50 39.800 60.687 -24.808 1.00 52.43 C ATOM 716 O ALA A 50 39.889 61.596 -25.629 1.00 63.35 O ATOM 717 CB ALA A 50 42.204 60.279 -24.262 1.00 52.42 C ATOM 0 H ALA A 50 40.182 58.566 -23.295 1.00 4.34 H new ATOM 0 HA ALA A 50 40.844 61.446 -23.109 1.00 71.23 H new ATOM 0 HB1 ALA A 50 42.479 61.106 -24.917 1.00 52.42 H new ATOM 0 HB2 ALA A 50 42.926 60.205 -23.449 1.00 52.42 H new ATOM 0 HB3 ALA A 50 42.203 59.350 -24.832 1.00 52.42 H new ATOM 723 N LEU A 51 38.812 59.803 -24.818 1.00 14.24 N ATOM 724 CA LEU A 51 37.782 59.823 -25.846 1.00 65.24 C ATOM 725 C LEU A 51 36.561 60.592 -25.359 1.00 54.11 C ATOM 726 O LEU A 51 35.578 60.732 -26.082 1.00 73.42 O ATOM 727 CB LEU A 51 37.382 58.400 -26.268 1.00 34.13 C ATOM 728 CG LEU A 51 36.907 57.472 -25.145 1.00 14.14 C ATOM 729 CD1 LEU A 51 35.853 56.506 -25.664 1.00 42.24 C ATOM 730 CD2 LEU A 51 38.078 56.689 -24.571 1.00 32.32 C ATOM 0 H LEU A 51 38.702 59.063 -24.125 1.00 14.24 H new ATOM 0 HA LEU A 51 38.194 60.328 -26.720 1.00 65.24 H new ATOM 0 HB2 LEU A 51 36.588 58.473 -27.011 1.00 34.13 H new ATOM 0 HB3 LEU A 51 38.237 57.935 -26.759 1.00 34.13 H new ATOM 0 HG LEU A 51 36.470 58.087 -24.358 1.00 14.14 H new ATOM 0 HD11 LEU A 51 35.526 55.854 -24.854 1.00 42.24 H new ATOM 0 HD12 LEU A 51 35.000 57.068 -26.044 1.00 42.24 H new ATOM 0 HD13 LEU A 51 36.276 55.903 -26.467 1.00 42.24 H new ATOM 0 HD21 LEU A 51 37.723 56.035 -23.775 1.00 32.32 H new ATOM 0 HD22 LEU A 51 38.534 56.088 -25.358 1.00 32.32 H new ATOM 0 HD23 LEU A 51 38.817 57.382 -24.169 1.00 32.32 H new ATOM 742 N ASP A 52 36.641 61.103 -24.137 1.00 2.23 N ATOM 743 CA ASP A 52 35.563 61.897 -23.555 1.00 12.25 C ATOM 744 C ASP A 52 35.441 63.224 -24.288 1.00 34.31 C ATOM 745 O ASP A 52 34.338 63.684 -24.586 1.00 33.15 O ATOM 746 CB ASP A 52 35.813 62.128 -22.060 1.00 5.20 C ATOM 747 CG ASP A 52 37.192 62.700 -21.773 1.00 62.52 C ATOM 748 OD1 ASP A 52 37.286 63.806 -21.206 1.00 12.41 O ATOM 749 OD2 ASP A 52 38.189 62.037 -22.131 1.00 63.02 O1- ATOM 0 H ASP A 52 37.447 60.981 -23.524 1.00 2.23 H new ATOM 0 HA ASP A 52 34.626 61.350 -23.663 1.00 12.25 H new ATOM 0 HB2 ASP A 52 35.055 62.808 -21.671 1.00 5.20 H new ATOM 0 HB3 ASP A 52 35.699 61.184 -21.527 1.00 5.20 H new ATOM 754 N ASN A 53 36.586 63.812 -24.608 1.00 61.25 N ATOM 755 CA ASN A 53 36.636 65.050 -25.374 1.00 42.12 C ATOM 756 C ASN A 53 36.063 64.833 -26.773 1.00 63.01 C ATOM 757 O ASN A 53 35.473 65.736 -27.370 1.00 23.25 O ATOM 758 CB ASN A 53 38.084 65.548 -25.465 1.00 44.53 C ATOM 759 CG ASN A 53 38.216 66.855 -26.230 1.00 73.01 C ATOM 760 OD1 ASN A 53 38.071 67.933 -25.658 1.00 72.42 O ATOM 761 ND2 ASN A 53 38.517 66.770 -27.519 1.00 31.23 N ATOM 0 H ASN A 53 37.502 63.447 -24.346 1.00 61.25 H new ATOM 0 HA ASN A 53 36.033 65.803 -24.867 1.00 42.12 H new ATOM 0 HB2 ASN A 53 38.481 65.681 -24.458 1.00 44.53 H new ATOM 0 HB3 ASN A 53 38.694 64.786 -25.950 1.00 44.53 H new ATOM 0 HD21 ASN A 53 38.636 67.619 -28.072 1.00 31.23 H new ATOM 0 HD22 ASN A 53 38.629 65.856 -27.957 1.00 31.23 H new ATOM 768 N PHE A 54 36.221 63.617 -27.280 1.00 22.14 N ATOM 769 CA PHE A 54 35.778 63.284 -28.624 1.00 43.23 C ATOM 770 C PHE A 54 34.288 62.939 -28.649 1.00 0.30 C ATOM 771 O PHE A 54 33.529 63.505 -29.431 1.00 51.31 O ATOM 772 CB PHE A 54 36.603 62.113 -29.173 1.00 64.13 C ATOM 773 CG PHE A 54 36.301 61.769 -30.604 1.00 32.43 C ATOM 774 CD1 PHE A 54 35.527 60.663 -30.918 1.00 20.25 C ATOM 775 CD2 PHE A 54 36.795 62.551 -31.635 1.00 52.44 C ATOM 776 CE1 PHE A 54 35.251 60.344 -32.234 1.00 74.25 C ATOM 777 CE2 PHE A 54 36.522 62.237 -32.953 1.00 41.13 C ATOM 778 CZ PHE A 54 35.749 61.132 -33.253 1.00 1.54 C ATOM 0 H PHE A 54 36.655 62.843 -26.777 1.00 22.14 H new ATOM 0 HA PHE A 54 35.929 64.158 -29.257 1.00 43.23 H new ATOM 0 HB2 PHE A 54 37.662 62.355 -29.084 1.00 64.13 H new ATOM 0 HB3 PHE A 54 36.424 61.234 -28.553 1.00 64.13 H new ATOM 0 HD1 PHE A 54 35.135 60.043 -30.125 1.00 20.25 H new ATOM 0 HD2 PHE A 54 37.400 63.416 -31.406 1.00 52.44 H new ATOM 0 HE1 PHE A 54 34.647 59.479 -32.465 1.00 74.25 H new ATOM 0 HE2 PHE A 54 36.913 62.855 -33.748 1.00 41.13 H new ATOM 0 HZ PHE A 54 35.535 60.885 -34.282 1.00 1.54 H new ATOM 788 N THR A 55 33.866 62.028 -27.780 1.00 75.41 N ATOM 789 CA THR A 55 32.495 61.526 -27.815 1.00 62.12 C ATOM 790 C THR A 55 31.480 62.595 -27.395 1.00 21.25 C ATOM 791 O THR A 55 30.326 62.563 -27.823 1.00 1.24 O ATOM 792 CB THR A 55 32.318 60.260 -26.942 1.00 4.21 C ATOM 793 OG1 THR A 55 31.010 59.703 -27.135 1.00 21.43 O ATOM 794 CG2 THR A 55 32.525 60.567 -25.465 1.00 4.31 C ATOM 0 H THR A 55 34.448 61.623 -27.047 1.00 75.41 H new ATOM 0 HA THR A 55 32.300 61.257 -28.853 1.00 62.12 H new ATOM 0 HB THR A 55 33.074 59.539 -27.252 1.00 4.21 H new ATOM 0 HG1 THR A 55 30.910 58.902 -26.579 1.00 21.43 H new ATOM 0 HG21 THR A 55 32.393 59.656 -24.882 1.00 4.31 H new ATOM 0 HG22 THR A 55 33.533 60.953 -25.311 1.00 4.31 H new ATOM 0 HG23 THR A 55 31.798 61.312 -25.143 1.00 4.31 H new ATOM 802 N GLN A 56 31.910 63.555 -26.583 1.00 32.54 N ATOM 803 CA GLN A 56 31.022 64.632 -26.160 1.00 40.22 C ATOM 804 C GLN A 56 30.858 65.654 -27.275 1.00 42.31 C ATOM 805 O GLN A 56 29.890 66.413 -27.298 1.00 33.50 O ATOM 806 CB GLN A 56 31.530 65.304 -24.881 1.00 24.31 C ATOM 807 CG GLN A 56 30.863 64.783 -23.618 1.00 3.12 C ATOM 808 CD GLN A 56 31.105 63.305 -23.378 1.00 23.51 C ATOM 809 OE1 GLN A 56 30.371 62.453 -23.877 1.00 22.43 O ATOM 810 NE2 GLN A 56 32.114 62.993 -22.581 1.00 51.20 N ATOM 0 H GLN A 56 32.857 63.610 -26.208 1.00 32.54 H new ATOM 0 HA GLN A 56 30.047 64.196 -25.940 1.00 40.22 H new ATOM 0 HB2 GLN A 56 32.607 65.153 -24.803 1.00 24.31 H new ATOM 0 HB3 GLN A 56 31.364 66.379 -24.954 1.00 24.31 H new ATOM 0 HG2 GLN A 56 31.231 65.348 -22.762 1.00 3.12 H new ATOM 0 HG3 GLN A 56 29.790 64.963 -23.681 1.00 3.12 H new ATOM 0 HE21 GLN A 56 32.700 63.730 -22.187 1.00 51.20 H new ATOM 0 HE22 GLN A 56 32.306 62.016 -22.360 1.00 51.20 H new ATOM 819 N ALA A 57 31.796 65.649 -28.212 1.00 43.12 N ATOM 820 CA ALA A 57 31.705 66.499 -29.387 1.00 74.22 C ATOM 821 C ALA A 57 30.775 65.861 -30.411 1.00 13.44 C ATOM 822 O ALA A 57 30.271 66.521 -31.322 1.00 44.41 O ATOM 823 CB ALA A 57 33.086 66.731 -29.982 1.00 32.32 C ATOM 0 H ALA A 57 32.630 65.063 -28.179 1.00 43.12 H new ATOM 0 HA ALA A 57 31.296 67.467 -29.097 1.00 74.22 H new ATOM 0 HB1 ALA A 57 33.001 67.369 -30.861 1.00 32.32 H new ATOM 0 HB2 ALA A 57 33.724 67.215 -29.243 1.00 32.32 H new ATOM 0 HB3 ALA A 57 33.524 65.775 -30.269 1.00 32.32 H new ATOM 829 N ILE A 58 30.546 64.565 -30.249 1.00 52.41 N ATOM 830 CA ILE A 58 29.642 63.839 -31.123 1.00 43.42 C ATOM 831 C ILE A 58 28.195 64.140 -30.750 1.00 42.32 C ATOM 832 O ILE A 58 27.318 64.187 -31.610 1.00 2.22 O ATOM 833 CB ILE A 58 29.886 62.318 -31.057 1.00 4.31 C ATOM 834 CG1 ILE A 58 31.375 62.013 -31.253 1.00 33.32 C ATOM 835 CG2 ILE A 58 29.046 61.598 -32.104 1.00 22.11 C ATOM 836 CD1 ILE A 58 31.685 60.537 -31.388 1.00 75.03 C ATOM 0 H ILE A 58 30.975 63.997 -29.519 1.00 52.41 H new ATOM 0 HA ILE A 58 29.835 64.170 -32.143 1.00 43.42 H new ATOM 0 HB ILE A 58 29.586 61.957 -30.073 1.00 4.31 H new ATOM 0 HG12 ILE A 58 31.728 62.532 -32.144 1.00 33.32 H new ATOM 0 HG13 ILE A 58 31.933 62.416 -30.408 1.00 33.32 H new ATOM 0 HG21 ILE A 58 29.230 60.525 -32.044 1.00 22.11 H new ATOM 0 HG22 ILE A 58 27.990 61.795 -31.922 1.00 22.11 H new ATOM 0 HG23 ILE A 58 29.316 61.957 -33.097 1.00 22.11 H new ATOM 0 HD11 ILE A 58 32.758 60.401 -31.524 1.00 75.03 H new ATOM 0 HD12 ILE A 58 31.364 60.014 -30.487 1.00 75.03 H new ATOM 0 HD13 ILE A 58 31.156 60.132 -32.251 1.00 75.03 H new ATOM 848 N GLN A 59 27.959 64.376 -29.464 1.00 20.32 N ATOM 849 CA GLN A 59 26.621 64.692 -28.975 1.00 43.14 C ATOM 850 C GLN A 59 26.103 65.981 -29.608 1.00 30.01 C ATOM 851 O GLN A 59 24.898 66.164 -29.769 1.00 22.32 O ATOM 852 CB GLN A 59 26.611 64.828 -27.453 1.00 0.24 C ATOM 853 CG GLN A 59 27.034 63.568 -26.719 1.00 33.03 C ATOM 854 CD GLN A 59 26.773 63.657 -25.228 1.00 32.54 C ATOM 855 OE1 GLN A 59 25.830 64.315 -24.789 1.00 24.13 O ATOM 856 NE2 GLN A 59 27.604 63.001 -24.438 1.00 51.23 N ATOM 0 H GLN A 59 28.677 64.355 -28.740 1.00 20.32 H new ATOM 0 HA GLN A 59 25.965 63.869 -29.258 1.00 43.14 H new ATOM 0 HB2 GLN A 59 27.275 65.644 -27.167 1.00 0.24 H new ATOM 0 HB3 GLN A 59 25.608 65.105 -27.130 1.00 0.24 H new ATOM 0 HG2 GLN A 59 26.497 62.713 -27.129 1.00 33.03 H new ATOM 0 HG3 GLN A 59 28.096 63.389 -26.890 1.00 33.03 H new ATOM 0 HE21 GLN A 59 28.374 62.466 -24.839 1.00 51.23 H new ATOM 0 HE22 GLN A 59 27.475 63.029 -23.427 1.00 51.23 H new ATOM 865 N SER A 60 27.021 66.862 -29.976 1.00 51.04 N ATOM 866 CA SER A 60 26.663 68.123 -30.591 1.00 11.41 C ATOM 867 C SER A 60 26.259 67.917 -32.046 1.00 54.31 C ATOM 868 O SER A 60 25.259 68.463 -32.495 1.00 71.15 O ATOM 869 CB SER A 60 27.844 69.083 -30.515 1.00 73.34 C ATOM 870 OG SER A 60 28.409 69.079 -29.216 1.00 3.51 O ATOM 0 H SER A 60 28.024 66.722 -29.857 1.00 51.04 H new ATOM 0 HA SER A 60 25.814 68.545 -30.053 1.00 11.41 H new ATOM 0 HB2 SER A 60 28.600 68.797 -31.247 1.00 73.34 H new ATOM 0 HB3 SER A 60 27.517 70.091 -30.772 1.00 73.34 H new ATOM 0 HG SER A 60 29.167 69.700 -29.187 1.00 3.51 H new ATOM 876 N GLN A 61 27.021 67.088 -32.764 1.00 30.10 N ATOM 877 CA GLN A 61 26.825 66.919 -34.206 1.00 24.42 C ATOM 878 C GLN A 61 25.581 66.084 -34.512 1.00 14.32 C ATOM 879 O GLN A 61 25.210 65.910 -35.674 1.00 1.12 O ATOM 880 CB GLN A 61 28.066 66.292 -34.855 1.00 64.21 C ATOM 881 CG GLN A 61 28.366 64.879 -34.396 1.00 32.32 C ATOM 882 CD GLN A 61 29.641 64.338 -35.006 1.00 64.01 C ATOM 883 OE1 GLN A 61 30.757 64.571 -34.335 1.00 52.54 O flip ATOM 884 NE2 GLN A 61 29.623 63.723 -36.072 1.00 61.52 N flip ATOM 0 H GLN A 61 27.776 66.525 -32.372 1.00 30.10 H new ATOM 0 HA GLN A 61 26.673 67.910 -34.633 1.00 24.42 H new ATOM 0 HB2 GLN A 61 27.933 66.289 -35.937 1.00 64.21 H new ATOM 0 HB3 GLN A 61 28.930 66.921 -34.642 1.00 64.21 H new ATOM 0 HG2 GLN A 61 28.449 64.862 -33.309 1.00 32.32 H new ATOM 0 HG3 GLN A 61 27.533 64.228 -34.662 1.00 32.32 H new ATOM 0 HE21 GLN A 61 28.739 63.566 -36.555 1.00 61.52 H new ATOM 0 HE22 GLN A 61 30.492 63.370 -36.472 1.00 61.52 H new ATOM 893 N ILE A 62 24.929 65.584 -33.468 1.00 25.21 N ATOM 894 CA ILE A 62 23.667 64.868 -33.625 1.00 60.23 C ATOM 895 C ILE A 62 22.577 65.828 -34.108 1.00 4.22 C ATOM 896 O ILE A 62 21.554 65.412 -34.653 1.00 73.53 O ATOM 897 CB ILE A 62 23.230 64.197 -32.298 1.00 31.41 C ATOM 898 CG1 ILE A 62 24.324 63.248 -31.797 1.00 75.12 C ATOM 899 CG2 ILE A 62 21.919 63.439 -32.473 1.00 11.33 C ATOM 900 CD1 ILE A 62 24.006 62.590 -30.469 1.00 54.33 C ATOM 0 H ILE A 62 25.253 65.661 -32.504 1.00 25.21 H new ATOM 0 HA ILE A 62 23.815 64.084 -34.367 1.00 60.23 H new ATOM 0 HB ILE A 62 23.074 64.982 -31.558 1.00 31.41 H new ATOM 0 HG12 ILE A 62 24.489 62.473 -32.545 1.00 75.12 H new ATOM 0 HG13 ILE A 62 25.257 63.803 -31.702 1.00 75.12 H new ATOM 0 HG21 ILE A 62 21.636 62.978 -31.527 1.00 11.33 H new ATOM 0 HG22 ILE A 62 21.138 64.131 -32.788 1.00 11.33 H new ATOM 0 HG23 ILE A 62 22.044 62.665 -33.230 1.00 11.33 H new ATOM 0 HD11 ILE A 62 24.828 61.934 -30.182 1.00 54.33 H new ATOM 0 HD12 ILE A 62 23.871 63.357 -29.706 1.00 54.33 H new ATOM 0 HD13 ILE A 62 23.091 62.006 -30.562 1.00 54.33 H new ATOM 912 N LEU A 63 22.831 67.125 -33.944 1.00 64.35 N ATOM 913 CA LEU A 63 21.879 68.158 -34.336 1.00 53.53 C ATOM 914 C LEU A 63 21.644 68.149 -35.849 1.00 34.31 C ATOM 915 O LEU A 63 20.640 68.668 -36.334 1.00 74.53 O ATOM 916 CB LEU A 63 22.356 69.541 -33.841 1.00 24.15 C ATOM 917 CG LEU A 63 23.359 70.324 -34.720 1.00 14.34 C ATOM 918 CD1 LEU A 63 23.874 71.535 -33.953 1.00 52.54 C ATOM 919 CD2 LEU A 63 24.534 69.464 -35.173 1.00 61.01 C ATOM 0 H LEU A 63 23.695 67.485 -33.539 1.00 64.35 H new ATOM 0 HA LEU A 63 20.921 67.943 -33.863 1.00 53.53 H new ATOM 0 HB2 LEU A 63 21.475 70.167 -33.702 1.00 24.15 H new ATOM 0 HB3 LEU A 63 22.809 69.405 -32.859 1.00 24.15 H new ATOM 0 HG LEU A 63 22.827 70.642 -35.616 1.00 14.34 H new ATOM 0 HD11 LEU A 63 24.581 72.085 -34.574 1.00 52.54 H new ATOM 0 HD12 LEU A 63 23.038 72.184 -33.693 1.00 52.54 H new ATOM 0 HD13 LEU A 63 24.373 71.204 -33.042 1.00 52.54 H new ATOM 0 HD21 LEU A 63 25.207 70.062 -35.787 1.00 61.01 H new ATOM 0 HD22 LEU A 63 25.071 69.093 -34.300 1.00 61.01 H new ATOM 0 HD23 LEU A 63 24.164 68.621 -35.756 1.00 61.01 H new ATOM 931 N GLY A 64 22.571 67.541 -36.587 1.00 54.14 N ATOM 932 CA GLY A 64 22.409 67.401 -38.020 1.00 43.53 C ATOM 933 C GLY A 64 21.521 66.224 -38.355 1.00 42.50 C ATOM 934 O GLY A 64 20.805 66.230 -39.360 1.00 45.41 O ATOM 0 H GLY A 64 23.433 67.143 -36.214 1.00 54.14 H new ATOM 0 HA2 GLY A 64 21.978 68.314 -38.431 1.00 43.53 H new ATOM 0 HA3 GLY A 64 23.384 67.269 -38.488 1.00 43.53 H new ATOM 938 N GLY A 65 21.558 65.212 -37.496 1.00 25.24 N ATOM 939 CA GLY A 65 20.687 64.068 -37.658 1.00 5.50 C ATOM 940 C GLY A 65 19.249 64.436 -37.378 1.00 33.53 C ATOM 941 O GLY A 65 18.321 63.829 -37.908 1.00 11.34 O ATOM 0 H GLY A 65 22.179 65.165 -36.688 1.00 25.24 H new ATOM 0 HA2 GLY A 65 20.776 63.680 -38.673 1.00 5.50 H new ATOM 0 HA3 GLY A 65 21.000 63.271 -36.984 1.00 5.50 H new ATOM 945 N LEU A 66 19.071 65.465 -36.560 1.00 53.33 N ATOM 946 CA LEU A 66 17.747 65.991 -36.255 1.00 72.23 C ATOM 947 C LEU A 66 17.157 66.703 -37.471 1.00 34.12 C ATOM 948 O LEU A 66 16.005 67.133 -37.458 1.00 33.03 O ATOM 949 CB LEU A 66 17.824 66.954 -35.069 1.00 31.31 C ATOM 950 CG LEU A 66 18.399 66.355 -33.784 1.00 64.21 C ATOM 951 CD1 LEU A 66 18.484 67.412 -32.695 1.00 22.03 C ATOM 952 CD2 LEU A 66 17.556 65.176 -33.319 1.00 65.03 C ATOM 0 H LEU A 66 19.834 65.955 -36.093 1.00 53.33 H new ATOM 0 HA LEU A 66 17.096 65.157 -35.994 1.00 72.23 H new ATOM 0 HB2 LEU A 66 18.433 67.812 -35.356 1.00 31.31 H new ATOM 0 HB3 LEU A 66 16.822 67.330 -34.860 1.00 31.31 H new ATOM 0 HG LEU A 66 19.406 65.995 -33.994 1.00 64.21 H new ATOM 0 HD11 LEU A 66 18.895 66.968 -31.788 1.00 22.03 H new ATOM 0 HD12 LEU A 66 19.130 68.225 -33.026 1.00 22.03 H new ATOM 0 HD13 LEU A 66 17.487 67.802 -32.488 1.00 22.03 H new ATOM 0 HD21 LEU A 66 17.981 64.763 -32.404 1.00 65.03 H new ATOM 0 HD22 LEU A 66 16.537 65.511 -33.127 1.00 65.03 H new ATOM 0 HD23 LEU A 66 17.546 64.408 -34.093 1.00 65.03 H new ATOM 964 N LEU A 67 17.960 66.821 -38.520 1.00 53.21 N ATOM 965 CA LEU A 67 17.525 67.453 -39.753 1.00 64.45 C ATOM 966 C LEU A 67 17.362 66.421 -40.868 1.00 60.43 C ATOM 967 O LEU A 67 16.249 66.146 -41.311 1.00 44.24 O ATOM 968 CB LEU A 67 18.527 68.528 -40.185 1.00 51.43 C ATOM 969 CG LEU A 67 18.768 69.644 -39.167 1.00 3.00 C ATOM 970 CD1 LEU A 67 19.828 70.605 -39.679 1.00 70.32 C ATOM 971 CD2 LEU A 67 17.469 70.383 -38.874 1.00 22.21 C ATOM 0 H LEU A 67 18.922 66.484 -38.539 1.00 53.21 H new ATOM 0 HA LEU A 67 16.558 67.920 -39.567 1.00 64.45 H new ATOM 0 HB2 LEU A 67 19.480 68.046 -40.404 1.00 51.43 H new ATOM 0 HB3 LEU A 67 18.176 68.976 -41.114 1.00 51.43 H new ATOM 0 HG LEU A 67 19.127 69.199 -38.239 1.00 3.00 H new ATOM 0 HD11 LEU A 67 19.989 71.394 -38.944 1.00 70.32 H new ATOM 0 HD12 LEU A 67 20.761 70.065 -39.842 1.00 70.32 H new ATOM 0 HD13 LEU A 67 19.496 71.046 -40.619 1.00 70.32 H new ATOM 0 HD21 LEU A 67 17.656 71.174 -38.148 1.00 22.21 H new ATOM 0 HD22 LEU A 67 17.083 70.820 -39.795 1.00 22.21 H new ATOM 0 HD23 LEU A 67 16.737 69.685 -38.469 1.00 22.21 H new ATOM 983 N SER A 68 18.470 65.829 -41.296 1.00 40.32 N ATOM 984 CA SER A 68 18.469 64.972 -42.481 1.00 11.31 C ATOM 985 C SER A 68 18.391 63.484 -42.138 1.00 75.02 C ATOM 986 O SER A 68 18.650 62.630 -42.989 1.00 75.11 O ATOM 987 CB SER A 68 19.725 65.249 -43.305 1.00 0.14 C ATOM 988 OG SER A 68 19.853 66.634 -43.584 1.00 4.11 O ATOM 0 H SER A 68 19.379 65.924 -40.844 1.00 40.32 H new ATOM 0 HA SER A 68 17.574 65.211 -43.055 1.00 11.31 H new ATOM 0 HB2 SER A 68 20.604 64.900 -42.763 1.00 0.14 H new ATOM 0 HB3 SER A 68 19.683 64.688 -44.239 1.00 0.14 H new ATOM 0 HG SER A 68 20.665 66.788 -44.111 1.00 4.11 H new ATOM 994 N ASN A 69 18.025 63.163 -40.909 1.00 22.22 N ATOM 995 CA ASN A 69 17.894 61.765 -40.512 1.00 3.21 C ATOM 996 C ASN A 69 16.540 61.531 -39.844 1.00 33.23 C ATOM 997 O ASN A 69 16.339 60.557 -39.123 1.00 41.32 O ATOM 998 CB ASN A 69 19.043 61.367 -39.578 1.00 53.44 C ATOM 999 CG ASN A 69 19.198 59.862 -39.452 1.00 25.14 C ATOM 1000 OD1 ASN A 69 18.884 59.111 -40.378 1.00 41.35 O ATOM 1001 ND2 ASN A 69 19.709 59.412 -38.318 1.00 2.13 N ATOM 0 H ASN A 69 17.815 63.839 -40.175 1.00 22.22 H new ATOM 0 HA ASN A 69 17.948 61.138 -41.402 1.00 3.21 H new ATOM 0 HB2 ASN A 69 19.974 61.795 -39.951 1.00 53.44 H new ATOM 0 HB3 ASN A 69 18.869 61.795 -38.591 1.00 53.44 H new ATOM 0 HD21 ASN A 69 19.856 58.411 -38.186 1.00 2.13 H new ATOM 0 HD22 ASN A 69 19.956 60.066 -37.575 1.00 2.13 H new ATOM 1008 N ILE A 70 15.600 62.434 -40.115 1.00 71.41 N ATOM 1009 CA ILE A 70 14.245 62.321 -39.581 1.00 54.25 C ATOM 1010 C ILE A 70 13.361 61.591 -40.594 1.00 15.54 C ATOM 1011 O ILE A 70 12.207 61.248 -40.318 1.00 23.53 O ATOM 1012 CB ILE A 70 13.654 63.718 -39.253 1.00 3.10 C ATOM 1013 CG1 ILE A 70 14.588 64.474 -38.305 1.00 23.53 C ATOM 1014 CG2 ILE A 70 12.262 63.605 -38.639 1.00 12.32 C ATOM 1015 CD1 ILE A 70 14.787 63.790 -36.970 1.00 42.43 C ATOM 0 H ILE A 70 15.753 63.254 -40.703 1.00 71.41 H new ATOM 0 HA ILE A 70 14.280 61.752 -38.652 1.00 54.25 H new ATOM 0 HB ILE A 70 13.563 64.272 -40.187 1.00 3.10 H new ATOM 0 HG12 ILE A 70 15.558 64.598 -38.787 1.00 23.53 H new ATOM 0 HG13 ILE A 70 14.187 65.473 -38.135 1.00 23.53 H new ATOM 0 HG21 ILE A 70 11.878 64.602 -38.422 1.00 12.32 H new ATOM 0 HG22 ILE A 70 11.595 63.104 -39.340 1.00 12.32 H new ATOM 0 HG23 ILE A 70 12.317 63.028 -37.716 1.00 12.32 H new ATOM 0 HD11 ILE A 70 15.461 64.385 -36.353 1.00 42.43 H new ATOM 0 HD12 ILE A 70 13.826 63.690 -36.466 1.00 42.43 H new ATOM 0 HD13 ILE A 70 15.218 62.801 -37.128 1.00 42.43 H new ATOM 1027 N ASN A 71 13.935 61.352 -41.770 1.00 10.14 N ATOM 1028 CA ASN A 71 13.269 60.613 -42.839 1.00 44.34 C ATOM 1029 C ASN A 71 12.743 59.279 -42.311 1.00 55.34 C ATOM 1030 O ASN A 71 11.535 59.037 -42.325 1.00 20.43 O ATOM 1031 CB ASN A 71 14.257 60.393 -43.992 1.00 33.10 C ATOM 1032 CG ASN A 71 13.649 59.726 -45.217 1.00 24.15 C ATOM 1033 OD1 ASN A 71 12.740 58.901 -45.123 1.00 2.11 O ATOM 1034 ND2 ASN A 71 14.158 60.081 -46.382 1.00 61.43 N ATOM 0 H ASN A 71 14.876 61.665 -42.009 1.00 10.14 H new ATOM 0 HA ASN A 71 12.418 61.187 -43.206 1.00 44.34 H new ATOM 0 HB2 ASN A 71 14.674 61.356 -44.286 1.00 33.10 H new ATOM 0 HB3 ASN A 71 15.086 59.782 -43.634 1.00 33.10 H new ATOM 0 HD21 ASN A 71 13.798 59.668 -47.243 1.00 61.43 H new ATOM 0 HD22 ASN A 71 14.911 60.768 -46.422 1.00 61.43 H new ATOM 1041 N THR A 72 13.664 58.432 -41.837 1.00 12.11 N ATOM 1042 CA THR A 72 13.337 57.147 -41.196 1.00 23.30 C ATOM 1043 C THR A 72 12.402 56.276 -42.043 1.00 44.31 C ATOM 1044 O THR A 72 11.719 55.398 -41.519 1.00 44.23 O ATOM 1045 CB THR A 72 12.720 57.350 -39.785 1.00 2.13 C ATOM 1046 OG1 THR A 72 11.526 58.141 -39.850 1.00 14.23 O ATOM 1047 CG2 THR A 72 13.719 58.019 -38.854 1.00 53.31 C ATOM 0 H THR A 72 14.666 58.618 -41.886 1.00 12.11 H new ATOM 0 HA THR A 72 14.287 56.621 -41.100 1.00 23.30 H new ATOM 0 HB THR A 72 12.467 56.365 -39.394 1.00 2.13 H new ATOM 0 HG1 THR A 72 11.245 58.233 -40.784 1.00 14.23 H new ATOM 0 HG21 THR A 72 13.267 58.152 -37.871 1.00 53.31 H new ATOM 0 HG22 THR A 72 14.607 57.394 -38.764 1.00 53.31 H new ATOM 0 HG23 THR A 72 13.999 58.991 -39.259 1.00 53.31 H new ATOM 1055 N GLY A 73 12.401 56.494 -43.353 1.00 3.13 N ATOM 1056 CA GLY A 73 11.518 55.744 -44.231 1.00 42.41 C ATOM 1057 C GLY A 73 11.998 54.328 -44.480 1.00 24.53 C ATOM 1058 O GLY A 73 11.221 53.470 -44.903 1.00 71.02 O ATOM 0 H GLY A 73 12.995 57.176 -43.824 1.00 3.13 H new ATOM 0 HA2 GLY A 73 10.520 55.712 -43.794 1.00 42.41 H new ATOM 0 HA3 GLY A 73 11.432 56.266 -45.184 1.00 42.41 H new ATOM 1062 N LYS A 74 13.284 54.088 -44.233 1.00 31.51 N ATOM 1063 CA LYS A 74 13.870 52.765 -44.427 1.00 51.44 C ATOM 1064 C LYS A 74 13.142 51.691 -43.612 1.00 44.43 C ATOM 1065 O LYS A 74 12.593 51.973 -42.546 1.00 24.01 O ATOM 1066 CB LYS A 74 15.380 52.778 -44.124 1.00 23.21 C ATOM 1067 CG LYS A 74 15.795 53.462 -42.821 1.00 4.23 C ATOM 1068 CD LYS A 74 15.443 52.643 -41.589 1.00 20.20 C ATOM 1069 CE LYS A 74 16.253 53.078 -40.378 1.00 35.24 C ATOM 1070 NZ LYS A 74 17.628 52.503 -40.384 1.00 22.45 N1+ ATOM 0 H LYS A 74 13.940 54.794 -43.898 1.00 31.51 H new ATOM 0 HA LYS A 74 13.743 52.504 -45.478 1.00 51.44 H new ATOM 0 HB2 LYS A 74 15.735 51.748 -44.099 1.00 23.21 H new ATOM 0 HB3 LYS A 74 15.892 53.272 -44.950 1.00 23.21 H new ATOM 0 HG2 LYS A 74 16.870 53.643 -42.837 1.00 4.23 H new ATOM 0 HG3 LYS A 74 15.309 54.435 -42.756 1.00 4.23 H new ATOM 0 HD2 LYS A 74 14.380 52.748 -41.373 1.00 20.20 H new ATOM 0 HD3 LYS A 74 15.625 51.587 -41.789 1.00 20.20 H new ATOM 0 HE2 LYS A 74 16.316 54.166 -40.357 1.00 35.24 H new ATOM 0 HE3 LYS A 74 15.737 52.771 -39.468 1.00 35.24 H new ATOM 0 HZ1 LYS A 74 18.279 53.155 -39.902 1.00 22.45 H new ATOM 0 HZ2 LYS A 74 17.624 51.589 -39.888 1.00 22.45 H new ATOM 0 HZ3 LYS A 74 17.942 52.363 -41.366 1.00 22.45 H new ATOM 1084 N PRO A 75 13.132 50.442 -44.116 1.00 62.34 N ATOM 1085 CA PRO A 75 12.432 49.324 -43.465 1.00 2.31 C ATOM 1086 C PRO A 75 13.129 48.829 -42.197 1.00 25.45 C ATOM 1087 O PRO A 75 12.623 47.943 -41.503 1.00 34.43 O ATOM 1088 CB PRO A 75 12.446 48.229 -44.532 1.00 60.25 C ATOM 1089 CG PRO A 75 13.642 48.527 -45.369 1.00 23.21 C ATOM 1090 CD PRO A 75 13.782 50.025 -45.375 1.00 65.03 C ATOM 0 HA PRO A 75 11.436 49.620 -43.136 1.00 2.31 H new ATOM 0 HB2 PRO A 75 12.515 47.239 -44.082 1.00 60.25 H new ATOM 0 HB3 PRO A 75 11.533 48.245 -45.127 1.00 60.25 H new ATOM 0 HG2 PRO A 75 14.534 48.054 -44.958 1.00 23.21 H new ATOM 0 HG3 PRO A 75 13.515 48.143 -46.381 1.00 23.21 H new ATOM 0 HD2 PRO A 75 14.828 50.329 -45.405 1.00 65.03 H new ATOM 0 HD3 PRO A 75 13.295 50.469 -46.243 1.00 65.03 H new ATOM 1098 N GLY A 76 14.297 49.384 -41.908 1.00 12.10 N ATOM 1099 CA GLY A 76 15.021 49.006 -40.713 1.00 14.01 C ATOM 1100 C GLY A 76 16.391 48.451 -41.028 1.00 13.34 C ATOM 1101 O GLY A 76 17.248 49.161 -41.561 1.00 72.12 O ATOM 0 H GLY A 76 14.757 50.091 -42.482 1.00 12.10 H new ATOM 0 HA2 GLY A 76 15.123 49.874 -40.062 1.00 14.01 H new ATOM 0 HA3 GLY A 76 14.447 48.261 -40.162 1.00 14.01 H new ATOM 1105 N ARG A 77 16.594 47.177 -40.723 1.00 2.44 N ATOM 1106 CA ARG A 77 17.879 46.529 -40.948 1.00 13.33 C ATOM 1107 C ARG A 77 17.675 45.187 -41.643 1.00 22.11 C ATOM 1108 O ARG A 77 16.550 44.823 -41.995 1.00 0.25 O ATOM 1109 CB ARG A 77 18.617 46.302 -39.621 1.00 21.41 C ATOM 1110 CG ARG A 77 18.041 45.163 -38.792 1.00 30.43 C ATOM 1111 CD ARG A 77 18.978 44.747 -37.667 1.00 20.32 C ATOM 1112 NE ARG A 77 18.951 45.677 -36.541 1.00 45.02 N ATOM 1113 CZ ARG A 77 19.414 45.379 -35.328 1.00 1.11 C ATOM 1114 NH1 ARG A 77 20.038 44.222 -35.112 1.00 21.40 N1+ ATOM 1115 NH2 ARG A 77 19.268 46.249 -34.336 1.00 14.15 N ATOM 0 H ARG A 77 15.882 46.569 -40.317 1.00 2.44 H new ATOM 0 HA ARG A 77 18.480 47.183 -41.580 1.00 13.33 H new ATOM 0 HB2 ARG A 77 19.667 46.094 -39.829 1.00 21.41 H new ATOM 0 HB3 ARG A 77 18.584 47.220 -39.035 1.00 21.41 H new ATOM 0 HG2 ARG A 77 17.083 45.469 -38.372 1.00 30.43 H new ATOM 0 HG3 ARG A 77 17.847 44.307 -39.438 1.00 30.43 H new ATOM 0 HD2 ARG A 77 18.702 43.752 -37.318 1.00 20.32 H new ATOM 0 HD3 ARG A 77 19.995 44.679 -38.053 1.00 20.32 H new ATOM 0 HE ARG A 77 18.556 46.605 -36.692 1.00 45.02 H new ATOM 0 HH11 ARG A 77 20.163 43.559 -35.877 1.00 21.40 H new ATOM 0 HH12 ARG A 77 20.391 43.999 -34.181 1.00 21.40 H new ATOM 0 HH21 ARG A 77 18.803 47.141 -34.504 1.00 14.15 H new ATOM 0 HH22 ARG A 77 19.621 46.025 -33.405 1.00 14.15 H new ATOM 1129 N MET A 78 18.763 44.457 -41.835 1.00 12.00 N ATOM 1130 CA MET A 78 18.687 43.096 -42.339 1.00 2.03 C ATOM 1131 C MET A 78 19.220 42.138 -41.283 1.00 70.13 C ATOM 1132 O MET A 78 20.386 42.211 -40.905 1.00 44.34 O ATOM 1133 CB MET A 78 19.479 42.947 -43.640 1.00 63.14 C ATOM 1134 CG MET A 78 19.415 41.546 -44.228 1.00 52.15 C ATOM 1135 SD MET A 78 20.294 41.407 -45.796 1.00 73.31 S ATOM 1136 CE MET A 78 21.968 41.783 -45.282 1.00 35.54 C ATOM 0 H MET A 78 19.710 44.786 -41.649 1.00 12.00 H new ATOM 0 HA MET A 78 17.645 42.858 -42.555 1.00 2.03 H new ATOM 0 HB2 MET A 78 19.098 43.658 -44.373 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.521 43.208 -43.455 1.00 63.14 H new ATOM 0 HG2 MET A 78 19.838 40.838 -43.515 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.372 41.266 -44.375 1.00 52.15 H new ATOM 0 HE1 MET A 78 22.667 41.451 -46.049 1.00 35.54 H new ATOM 0 HE2 MET A 78 22.071 42.858 -45.138 1.00 35.54 H new ATOM 0 HE3 MET A 78 22.185 41.269 -44.346 1.00 35.54 H new ATOM 1146 N VAL A 79 18.355 41.265 -40.785 1.00 63.22 N ATOM 1147 CA VAL A 79 18.737 40.318 -39.744 1.00 53.31 C ATOM 1148 C VAL A 79 19.739 39.292 -40.271 1.00 34.33 C ATOM 1149 O VAL A 79 19.380 38.373 -41.012 1.00 23.05 O ATOM 1150 CB VAL A 79 17.509 39.583 -39.163 1.00 51.15 C ATOM 1151 CG1 VAL A 79 17.924 38.634 -38.051 1.00 62.34 C ATOM 1152 CG2 VAL A 79 16.478 40.579 -38.655 1.00 20.14 C ATOM 0 H VAL A 79 17.383 41.192 -41.085 1.00 63.22 H new ATOM 0 HA VAL A 79 19.205 40.898 -38.948 1.00 53.31 H new ATOM 0 HB VAL A 79 17.057 38.996 -39.962 1.00 51.15 H new ATOM 0 HG11 VAL A 79 17.043 38.128 -37.657 1.00 62.34 H new ATOM 0 HG12 VAL A 79 18.622 37.895 -38.445 1.00 62.34 H new ATOM 0 HG13 VAL A 79 18.406 39.198 -37.252 1.00 62.34 H new ATOM 0 HG21 VAL A 79 15.621 40.041 -38.250 1.00 20.14 H new ATOM 0 HG22 VAL A 79 16.922 41.195 -37.873 1.00 20.14 H new ATOM 0 HG23 VAL A 79 16.151 41.216 -39.477 1.00 20.14 H new ATOM 1162 N THR A 80 20.998 39.480 -39.907 1.00 24.24 N ATOM 1163 CA THR A 80 22.052 38.546 -40.263 1.00 43.31 C ATOM 1164 C THR A 80 22.520 37.755 -39.039 1.00 22.22 C ATOM 1165 O THR A 80 22.187 38.103 -37.904 1.00 20.53 O ATOM 1166 CB THR A 80 23.243 39.285 -40.903 1.00 4.42 C ATOM 1167 OG1 THR A 80 23.361 40.597 -40.338 1.00 23.43 O ATOM 1168 CG2 THR A 80 23.074 39.390 -42.411 1.00 23.11 C ATOM 0 H THR A 80 21.316 40.280 -39.360 1.00 24.24 H new ATOM 0 HA THR A 80 21.644 37.845 -40.991 1.00 43.31 H new ATOM 0 HB THR A 80 24.149 38.715 -40.698 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.754 40.533 -39.442 1.00 23.43 H new ATOM 0 HG21 THR A 80 23.928 39.916 -42.837 1.00 23.11 H new ATOM 0 HG22 THR A 80 23.012 38.390 -42.841 1.00 23.11 H new ATOM 0 HG23 THR A 80 22.160 39.939 -42.637 1.00 23.11 H new ATOM 1176 N ASN A 81 23.293 36.699 -39.275 1.00 12.13 N ATOM 1177 CA ASN A 81 23.716 35.786 -38.211 1.00 13.33 C ATOM 1178 C ASN A 81 24.610 36.485 -37.184 1.00 53.52 C ATOM 1179 O ASN A 81 24.177 36.775 -36.067 1.00 72.31 O ATOM 1180 CB ASN A 81 24.448 34.582 -38.815 1.00 31.34 C ATOM 1181 CG ASN A 81 24.576 33.416 -37.850 1.00 23.22 C ATOM 1182 OD1 ASN A 81 24.615 33.591 -36.632 1.00 55.05 O ATOM 1183 ND2 ASN A 81 24.636 32.211 -38.395 1.00 51.02 N ATOM 0 H ASN A 81 23.643 36.451 -40.200 1.00 12.13 H new ATOM 0 HA ASN A 81 22.821 35.445 -37.690 1.00 13.33 H new ATOM 0 HB2 ASN A 81 23.916 34.251 -39.707 1.00 31.34 H new ATOM 0 HB3 ASN A 81 25.443 34.892 -39.134 1.00 31.34 H new ATOM 0 HD21 ASN A 81 24.718 31.386 -37.801 1.00 51.02 H new ATOM 0 HD22 ASN A 81 24.601 32.108 -39.409 1.00 51.02 H new ATOM 1190 N ASP A 82 25.854 36.757 -37.559 1.00 32.11 N ATOM 1191 CA ASP A 82 26.799 37.394 -36.643 1.00 24.13 C ATOM 1192 C ASP A 82 27.285 38.712 -37.234 1.00 61.51 C ATOM 1193 O ASP A 82 28.420 39.136 -37.026 1.00 75.51 O ATOM 1194 CB ASP A 82 27.981 36.460 -36.343 1.00 23.52 C ATOM 1195 CG ASP A 82 28.723 36.850 -35.073 1.00 72.21 C ATOM 1196 OD1 ASP A 82 28.059 37.252 -34.095 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.962 36.714 -35.032 1.00 30.43 O1- ATOM 0 H ASP A 82 26.232 36.549 -38.483 1.00 32.11 H new ATOM 0 HA ASP A 82 26.291 37.600 -35.701 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.617 35.437 -36.248 1.00 23.52 H new ATOM 0 HB3 ASP A 82 28.674 36.474 -37.184 1.00 23.52 H new ATOM 1202 N TYR A 83 26.398 39.359 -37.971 1.00 2.10 N ATOM 1203 CA TYR A 83 26.686 40.651 -38.572 1.00 61.22 C ATOM 1204 C TYR A 83 25.625 41.663 -38.176 1.00 25.13 C ATOM 1205 O TYR A 83 24.453 41.318 -38.024 1.00 35.42 O ATOM 1206 CB TYR A 83 26.758 40.534 -40.097 1.00 22.35 C ATOM 1207 CG TYR A 83 28.122 40.134 -40.610 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.508 38.801 -40.679 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.026 41.100 -41.024 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.761 38.446 -41.146 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.276 40.755 -41.494 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.640 39.429 -41.553 1.00 0.23 C ATOM 1213 OH TYR A 83 31.892 39.089 -42.015 1.00 35.22 O ATOM 0 H TYR A 83 25.462 39.006 -38.169 1.00 2.10 H new ATOM 0 HA TYR A 83 27.654 40.992 -38.205 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.024 39.801 -40.432 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.479 41.490 -40.540 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.820 38.031 -40.363 1.00 54.31 H new ATOM 0 HD2 TYR A 83 28.746 42.142 -40.978 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.049 37.406 -41.192 1.00 54.50 H new ATOM 0 HE2 TYR A 83 30.966 41.522 -41.814 1.00 43.02 H new ATOM 0 HH TYR A 83 32.570 39.606 -41.532 1.00 35.22 H new ATOM 1223 N ILE A 84 26.045 42.903 -37.983 1.00 71.04 N ATOM 1224 CA ILE A 84 25.117 43.982 -37.699 1.00 33.43 C ATOM 1225 C ILE A 84 25.027 44.895 -38.911 1.00 24.33 C ATOM 1226 O ILE A 84 25.914 45.712 -39.149 1.00 13.30 O ATOM 1227 CB ILE A 84 25.528 44.818 -36.460 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.655 43.942 -35.208 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.522 45.934 -36.214 1.00 63.41 C ATOM 1230 CD1 ILE A 84 26.966 43.182 -35.113 1.00 21.15 C ATOM 0 H ILE A 84 27.024 43.186 -38.018 1.00 71.04 H new ATOM 0 HA ILE A 84 24.151 43.529 -37.478 1.00 33.43 H new ATOM 0 HB ILE A 84 26.505 45.255 -36.667 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.548 44.572 -34.325 1.00 70.51 H new ATOM 0 HG13 ILE A 84 24.832 43.228 -35.192 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.825 46.511 -35.341 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.483 46.588 -37.085 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.536 45.503 -36.040 1.00 63.41 H new ATOM 0 HD11 ILE A 84 26.976 42.587 -34.200 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.069 42.524 -35.976 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.796 43.889 -35.095 1.00 21.15 H new ATOM 1242 N VAL A 85 23.977 44.730 -39.693 1.00 45.21 N ATOM 1243 CA VAL A 85 23.814 45.512 -40.903 1.00 41.00 C ATOM 1244 C VAL A 85 22.466 46.231 -40.912 1.00 52.13 C ATOM 1245 O VAL A 85 21.402 45.610 -41.008 1.00 43.50 O ATOM 1246 CB VAL A 85 23.986 44.638 -42.171 1.00 62.43 C ATOM 1247 CG1 VAL A 85 23.083 43.415 -42.129 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.727 45.453 -43.430 1.00 64.33 C ATOM 0 H VAL A 85 23.226 44.063 -39.513 1.00 45.21 H new ATOM 0 HA VAL A 85 24.600 46.267 -40.915 1.00 41.00 H new ATOM 0 HB VAL A 85 25.019 44.289 -42.193 1.00 62.43 H new ATOM 0 HG11 VAL A 85 23.229 42.824 -43.033 1.00 1.04 H new ATOM 0 HG12 VAL A 85 23.330 42.810 -41.256 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.042 43.733 -42.067 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.854 44.818 -44.307 1.00 64.33 H new ATOM 0 HG22 VAL A 85 22.709 45.843 -43.408 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.432 46.283 -43.478 1.00 64.33 H new ATOM 1258 N ASP A 86 22.522 47.547 -40.786 1.00 31.13 N ATOM 1259 CA ASP A 86 21.319 48.368 -40.755 1.00 20.21 C ATOM 1260 C ASP A 86 21.224 49.193 -42.028 1.00 24.31 C ATOM 1261 O ASP A 86 22.242 49.635 -42.568 1.00 74.51 O ATOM 1262 CB ASP A 86 21.325 49.285 -39.523 1.00 4.42 C ATOM 1263 CG ASP A 86 20.056 50.111 -39.392 1.00 33.31 C ATOM 1264 OD1 ASP A 86 20.083 51.313 -39.728 1.00 21.44 O ATOM 1265 OD2 ASP A 86 19.028 49.565 -38.940 1.00 45.22 O1- ATOM 0 H ASP A 86 23.392 48.073 -40.703 1.00 31.13 H new ATOM 0 HA ASP A 86 20.449 47.714 -40.691 1.00 20.21 H new ATOM 0 HB2 ASP A 86 21.452 48.679 -38.626 1.00 4.42 H new ATOM 0 HB3 ASP A 86 22.184 49.954 -39.579 1.00 4.42 H new ATOM 1270 N ILE A 87 20.005 49.384 -42.515 1.00 70.13 N ATOM 1271 CA ILE A 87 19.783 50.148 -43.729 1.00 11.31 C ATOM 1272 C ILE A 87 19.653 51.626 -43.387 1.00 5.45 C ATOM 1273 O ILE A 87 18.594 52.089 -42.954 1.00 31.44 O ATOM 1274 CB ILE A 87 18.518 49.670 -44.480 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.600 48.164 -44.742 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.360 50.427 -45.794 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.354 47.579 -45.371 1.00 31.30 C ATOM 0 H ILE A 87 19.155 49.018 -42.085 1.00 70.13 H new ATOM 0 HA ILE A 87 20.639 49.994 -44.386 1.00 11.31 H new ATOM 0 HB ILE A 87 17.646 49.872 -43.858 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.451 47.965 -45.393 1.00 41.53 H new ATOM 0 HG13 ILE A 87 18.793 47.652 -43.799 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.465 50.078 -46.309 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.269 51.494 -45.591 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.233 50.251 -46.423 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.492 46.509 -45.524 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.502 47.744 -44.712 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.170 48.062 -46.331 1.00 31.30 H new ATOM 1289 N ALA A 88 20.739 52.355 -43.560 1.00 34.53 N ATOM 1290 CA ALA A 88 20.773 53.759 -43.210 1.00 21.21 C ATOM 1291 C ALA A 88 20.311 54.625 -44.371 1.00 23.43 C ATOM 1292 O ALA A 88 21.106 55.029 -45.222 1.00 54.14 O ATOM 1293 CB ALA A 88 22.168 54.169 -42.765 1.00 40.44 C ATOM 0 H ALA A 88 21.613 51.994 -43.943 1.00 34.53 H new ATOM 0 HA ALA A 88 20.085 53.912 -42.379 1.00 21.21 H new ATOM 0 HB1 ALA A 88 22.171 55.228 -42.507 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.459 53.582 -41.894 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.875 53.991 -43.575 1.00 40.44 H new ATOM 1299 N ASN A 89 19.013 54.876 -44.429 1.00 52.24 N ATOM 1300 CA ASN A 89 18.479 55.823 -45.393 1.00 21.13 C ATOM 1301 C ASN A 89 18.577 57.226 -44.812 1.00 22.12 C ATOM 1302 O ASN A 89 17.610 57.774 -44.282 1.00 62.21 O ATOM 1303 CB ASN A 89 17.037 55.470 -45.781 1.00 44.43 C ATOM 1304 CG ASN A 89 16.421 56.444 -46.779 1.00 51.24 C ATOM 1305 OD1 ASN A 89 16.741 56.281 -48.056 1.00 34.21 O flip ATOM 1306 ND2 ASN A 89 15.668 57.339 -46.405 1.00 52.10 N flip ATOM 0 H ASN A 89 18.315 54.441 -43.825 1.00 52.24 H new ATOM 0 HA ASN A 89 19.067 55.776 -46.310 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.019 54.466 -46.206 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.422 55.447 -44.881 1.00 44.43 H new ATOM 0 HD21 ASN A 89 15.443 57.436 -45.415 1.00 52.10 H new ATOM 0 HD22 ASN A 89 15.268 57.986 -47.085 1.00 52.10 H new ATOM 1313 N ARG A 90 19.785 57.759 -44.855 1.00 34.23 N ATOM 1314 CA ARG A 90 20.071 59.077 -44.320 1.00 61.53 C ATOM 1315 C ARG A 90 20.173 60.067 -45.466 1.00 14.51 C ATOM 1316 O ARG A 90 20.654 59.707 -46.545 1.00 31.12 O ATOM 1317 CB ARG A 90 21.383 59.037 -43.532 1.00 1.00 C ATOM 1318 CG ARG A 90 21.635 60.264 -42.674 1.00 75.44 C ATOM 1319 CD ARG A 90 22.992 60.192 -41.989 1.00 14.21 C ATOM 1320 NE ARG A 90 24.098 60.414 -42.923 1.00 45.22 N ATOM 1321 CZ ARG A 90 25.291 59.818 -42.838 1.00 45.51 C ATOM 1322 NH1 ARG A 90 25.525 58.900 -41.903 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 26.249 60.136 -43.699 1.00 21.12 N ATOM 0 H ARG A 90 20.595 57.290 -45.262 1.00 34.23 H new ATOM 0 HA ARG A 90 19.270 59.388 -43.649 1.00 61.53 H new ATOM 0 HB2 ARG A 90 21.382 58.155 -42.892 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.210 58.922 -44.232 1.00 1.00 H new ATOM 0 HG2 ARG A 90 21.585 61.160 -43.293 1.00 75.44 H new ATOM 0 HG3 ARG A 90 20.850 60.352 -41.923 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.035 60.937 -41.194 1.00 14.21 H new ATOM 0 HD3 ARG A 90 23.107 59.216 -41.518 1.00 14.21 H new ATOM 0 HE ARG A 90 23.947 61.068 -43.691 1.00 45.22 H new ATOM 0 HH11 ARG A 90 24.790 58.646 -41.243 1.00 34.45 H new ATOM 0 HH12 ARG A 90 26.439 58.451 -41.847 1.00 34.45 H new ATOM 0 HH21 ARG A 90 26.074 60.833 -44.423 1.00 21.12 H new ATOM 0 HH22 ARG A 90 27.161 59.683 -43.637 1.00 21.12 H new ATOM 1337 N ASP A 91 19.713 61.297 -45.234 1.00 14.33 N ATOM 1338 CA ASP A 91 19.698 62.343 -46.262 1.00 71.02 C ATOM 1339 C ASP A 91 18.677 62.015 -47.350 1.00 43.52 C ATOM 1340 O ASP A 91 17.660 62.692 -47.489 1.00 61.51 O ATOM 1341 CB ASP A 91 21.090 62.531 -46.875 1.00 34.34 C ATOM 1342 CG ASP A 91 21.104 63.553 -47.992 1.00 2.00 C ATOM 1343 OD1 ASP A 91 20.840 63.179 -49.154 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.387 64.737 -47.714 1.00 32.31 O1- ATOM 0 H ASP A 91 19.341 61.597 -44.333 1.00 14.33 H new ATOM 0 HA ASP A 91 19.407 63.279 -45.784 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.787 62.841 -46.096 1.00 34.34 H new ATOM 0 HB3 ASP A 91 21.446 61.575 -47.259 1.00 34.34 H new ATOM 1349 N GLY A 92 18.956 60.971 -48.108 1.00 75.32 N ATOM 1350 CA GLY A 92 18.060 60.533 -49.154 1.00 62.34 C ATOM 1351 C GLY A 92 18.686 59.444 -49.992 1.00 52.21 C ATOM 1352 O GLY A 92 18.416 59.334 -51.187 1.00 23.30 O ATOM 0 H GLY A 92 19.802 60.409 -48.015 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.133 60.167 -48.712 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.798 61.379 -49.790 1.00 62.34 H new ATOM 1356 N GLN A 93 19.530 58.641 -49.357 1.00 55.42 N ATOM 1357 CA GLN A 93 20.245 57.569 -50.038 1.00 43.03 C ATOM 1358 C GLN A 93 20.228 56.308 -49.187 1.00 53.23 C ATOM 1359 O GLN A 93 20.181 56.383 -47.961 1.00 62.41 O ATOM 1360 CB GLN A 93 21.693 57.984 -50.317 1.00 32.14 C ATOM 1361 CG GLN A 93 21.835 59.066 -51.375 1.00 62.32 C ATOM 1362 CD GLN A 93 21.486 58.566 -52.766 1.00 5.43 C ATOM 1363 OE1 GLN A 93 22.351 58.086 -53.498 1.00 25.23 O ATOM 1364 NE2 GLN A 93 20.218 58.661 -53.133 1.00 33.20 N ATOM 0 H GLN A 93 19.738 58.713 -48.361 1.00 55.42 H new ATOM 0 HA GLN A 93 19.747 57.369 -50.987 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.144 58.336 -49.389 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.257 57.106 -50.632 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.188 59.906 -51.121 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.859 59.440 -51.373 1.00 62.32 H new ATOM 0 HE21 GLN A 93 19.532 59.066 -52.496 1.00 33.20 H new ATOM 0 HE22 GLN A 93 19.927 58.330 -54.053 1.00 33.20 H new ATOM 1373 N LEU A 94 20.259 55.156 -49.838 1.00 22.14 N ATOM 1374 CA LEU A 94 20.287 53.884 -49.135 1.00 50.31 C ATOM 1375 C LEU A 94 21.726 53.482 -48.837 1.00 43.43 C ATOM 1376 O LEU A 94 22.449 53.032 -49.724 1.00 52.24 O ATOM 1377 CB LEU A 94 19.603 52.778 -49.957 1.00 41.23 C ATOM 1378 CG LEU A 94 18.071 52.842 -50.045 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.457 52.903 -48.658 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.614 54.024 -50.888 1.00 42.11 C ATOM 0 H LEU A 94 20.265 55.076 -50.855 1.00 22.14 H new ATOM 0 HA LEU A 94 19.740 54.006 -48.200 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.005 52.807 -50.970 1.00 41.23 H new ATOM 0 HB3 LEU A 94 19.881 51.814 -49.531 1.00 41.23 H new ATOM 0 HG LEU A 94 17.727 51.931 -50.535 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.371 52.948 -48.742 1.00 1.43 H new ATOM 0 HD12 LEU A 94 17.741 52.014 -48.095 1.00 1.43 H new ATOM 0 HD13 LEU A 94 17.818 53.791 -48.139 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.525 54.041 -50.931 1.00 42.11 H new ATOM 0 HD22 LEU A 94 17.974 54.951 -50.441 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.015 53.928 -51.897 1.00 42.11 H new ATOM 1392 N GLN A 95 22.148 53.681 -47.602 1.00 22.34 N ATOM 1393 CA GLN A 95 23.488 53.305 -47.185 1.00 52.10 C ATOM 1394 C GLN A 95 23.441 52.040 -46.339 1.00 55.53 C ATOM 1395 O GLN A 95 22.767 51.989 -45.315 1.00 20.22 O ATOM 1396 CB GLN A 95 24.130 54.461 -46.416 1.00 54.30 C ATOM 1397 CG GLN A 95 25.463 54.118 -45.769 1.00 4.25 C ATOM 1398 CD GLN A 95 26.215 55.341 -45.273 1.00 5.40 C ATOM 1399 OE1 GLN A 95 26.147 56.432 -46.020 1.00 14.41 O flip ATOM 1400 NE2 GLN A 95 26.899 55.289 -44.253 1.00 5.31 N flip ATOM 0 H GLN A 95 21.580 54.103 -46.867 1.00 22.34 H new ATOM 0 HA GLN A 95 24.096 53.096 -48.065 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.275 55.299 -47.098 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.439 54.795 -45.642 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.291 53.440 -44.933 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.083 53.584 -46.489 1.00 4.25 H new ATOM 0 HE21 GLN A 95 26.928 54.431 -43.701 1.00 5.31 H new ATOM 0 HE22 GLN A 95 27.438 56.103 -43.958 1.00 5.31 H new ATOM 1409 N LEU A 96 24.142 51.013 -46.787 1.00 75.11 N ATOM 1410 CA LEU A 96 24.137 49.736 -46.099 1.00 53.33 C ATOM 1411 C LEU A 96 25.438 49.552 -45.321 1.00 12.32 C ATOM 1412 O LEU A 96 26.485 49.263 -45.905 1.00 51.50 O ATOM 1413 CB LEU A 96 23.954 48.604 -47.113 1.00 11.23 C ATOM 1414 CG LEU A 96 23.502 47.270 -46.527 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.110 47.396 -45.927 1.00 12.31 C ATOM 1416 CD2 LEU A 96 23.525 46.189 -47.594 1.00 11.35 C ATOM 0 H LEU A 96 24.722 51.040 -47.625 1.00 75.11 H new ATOM 0 HA LEU A 96 23.308 49.713 -45.392 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.224 48.921 -47.858 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.898 48.451 -47.636 1.00 11.23 H new ATOM 0 HG LEU A 96 24.194 46.988 -45.734 1.00 54.15 H new ATOM 0 HD11 LEU A 96 21.804 46.435 -45.514 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.122 48.145 -45.135 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.406 47.699 -46.702 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.200 45.243 -47.161 1.00 11.35 H new ATOM 0 HD22 LEU A 96 22.853 46.466 -48.407 1.00 11.35 H new ATOM 0 HD23 LEU A 96 24.538 46.082 -47.981 1.00 11.35 H new ATOM 1428 N ASN A 97 25.375 49.749 -44.010 1.00 24.34 N ATOM 1429 CA ASN A 97 26.559 49.653 -43.161 1.00 24.31 C ATOM 1430 C ASN A 97 26.655 48.271 -42.523 1.00 43.41 C ATOM 1431 O ASN A 97 25.800 47.883 -41.727 1.00 33.42 O ATOM 1432 CB ASN A 97 26.524 50.718 -42.059 1.00 32.34 C ATOM 1433 CG ASN A 97 26.367 52.130 -42.590 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.477 52.813 -42.822 1.00 11.22 O flip ATOM 1435 ND2 ASN A 97 25.250 52.612 -42.770 1.00 2.51 N flip ATOM 0 H ASN A 97 24.516 49.977 -43.510 1.00 24.34 H new ATOM 0 HA ASN A 97 27.433 49.818 -43.791 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.700 50.500 -41.379 1.00 32.34 H new ATOM 0 HB3 ASN A 97 27.443 50.657 -41.476 1.00 32.34 H new ATOM 0 HD21 ASN A 97 24.417 52.054 -42.580 1.00 2.51 H new ATOM 0 HD22 ASN A 97 25.156 53.569 -43.109 1.00 2.51 H new ATOM 1442 N VAL A 98 27.692 47.533 -42.883 1.00 45.14 N ATOM 1443 CA VAL A 98 27.930 46.211 -42.323 1.00 72.02 C ATOM 1444 C VAL A 98 28.979 46.271 -41.220 1.00 15.31 C ATOM 1445 O VAL A 98 30.153 46.537 -41.475 1.00 42.35 O ATOM 1446 CB VAL A 98 28.376 45.209 -43.411 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.941 43.940 -42.790 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.209 44.860 -44.312 1.00 24.02 C ATOM 0 H VAL A 98 28.389 47.830 -43.567 1.00 45.14 H new ATOM 0 HA VAL A 98 26.987 45.864 -41.900 1.00 72.02 H new ATOM 0 HB VAL A 98 29.160 45.683 -44.001 1.00 44.14 H new ATOM 0 HG11 VAL A 98 29.247 43.253 -43.580 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.804 44.190 -42.173 1.00 50.42 H new ATOM 0 HG13 VAL A 98 28.178 43.466 -42.172 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.537 44.153 -45.074 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.413 44.410 -43.719 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.837 45.765 -44.792 1.00 24.02 H new ATOM 1458 N THR A 99 28.540 46.042 -39.996 1.00 13.53 N ATOM 1459 CA THR A 99 29.431 46.015 -38.856 1.00 63.52 C ATOM 1460 C THR A 99 29.809 44.574 -38.509 1.00 34.14 C ATOM 1461 O THR A 99 28.965 43.787 -38.071 1.00 52.04 O ATOM 1462 CB THR A 99 28.770 46.698 -37.645 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.354 48.021 -38.010 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.725 46.772 -36.464 1.00 64.32 C ATOM 0 H THR A 99 27.561 45.871 -39.767 1.00 13.53 H new ATOM 0 HA THR A 99 30.339 46.561 -39.113 1.00 63.52 H new ATOM 0 HB THR A 99 27.906 46.104 -37.347 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.932 48.455 -37.240 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.229 47.259 -35.625 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.023 45.765 -36.174 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.608 47.345 -36.746 1.00 64.32 H new ATOM 1472 N ASP A 100 31.070 44.231 -38.746 1.00 61.11 N ATOM 1473 CA ASP A 100 31.578 42.892 -38.449 1.00 23.41 C ATOM 1474 C ASP A 100 31.690 42.702 -36.943 1.00 63.40 C ATOM 1475 O ASP A 100 32.344 43.492 -36.264 1.00 62.23 O ATOM 1476 CB ASP A 100 32.956 42.692 -39.085 1.00 14.41 C ATOM 1477 CG ASP A 100 33.323 41.230 -39.249 1.00 53.52 C ATOM 1478 OD1 ASP A 100 33.596 40.565 -38.231 1.00 4.12 O ATOM 1479 OD2 ASP A 100 33.372 40.748 -40.401 1.00 11.31 O1- ATOM 0 H ASP A 100 31.764 44.863 -39.145 1.00 61.11 H new ATOM 0 HA ASP A 100 30.883 42.160 -38.860 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.974 43.178 -40.061 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.709 43.184 -38.470 1.00 14.41 H new ATOM 1484 N ARG A 101 31.061 41.662 -36.422 1.00 1.22 N ATOM 1485 CA ARG A 101 31.050 41.431 -34.983 1.00 70.42 C ATOM 1486 C ARG A 101 32.331 40.717 -34.541 1.00 41.44 C ATOM 1487 O ARG A 101 32.798 40.906 -33.418 1.00 3.54 O ATOM 1488 CB ARG A 101 29.800 40.621 -34.597 1.00 70.04 C ATOM 1489 CG ARG A 101 29.463 40.634 -33.108 1.00 12.41 C ATOM 1490 CD ARG A 101 30.266 39.605 -32.330 1.00 13.24 C ATOM 1491 NE ARG A 101 30.091 39.740 -30.884 1.00 14.53 N ATOM 1492 CZ ARG A 101 30.835 39.097 -29.985 1.00 32.32 C ATOM 1493 NH1 ARG A 101 31.756 38.220 -30.378 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 30.654 39.328 -28.691 1.00 52.25 N ATOM 0 H ARG A 101 30.553 40.966 -36.968 1.00 1.22 H new ATOM 0 HA ARG A 101 31.014 42.391 -34.468 1.00 70.42 H new ATOM 0 HB2 ARG A 101 28.946 41.010 -35.152 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.942 39.588 -34.914 1.00 70.04 H new ATOM 0 HG2 ARG A 101 29.657 41.627 -32.702 1.00 12.41 H new ATOM 0 HG3 ARG A 101 28.399 40.438 -32.976 1.00 12.41 H new ATOM 0 HD2 ARG A 101 29.964 38.604 -32.638 1.00 13.24 H new ATOM 0 HD3 ARG A 101 31.322 39.710 -32.577 1.00 13.24 H new ATOM 0 HE ARG A 101 29.357 40.362 -30.544 1.00 14.53 H new ATOM 0 HH11 ARG A 101 31.895 38.037 -31.372 1.00 20.33 H new ATOM 0 HH12 ARG A 101 32.323 37.731 -29.685 1.00 20.33 H new ATOM 0 HH21 ARG A 101 29.946 39.997 -28.386 1.00 52.25 H new ATOM 0 HH22 ARG A 101 31.222 38.837 -28.001 1.00 52.25 H new ATOM 1508 N LYS A 102 32.910 39.931 -35.437 1.00 25.22 N ATOM 1509 CA LYS A 102 34.074 39.117 -35.102 1.00 51.24 C ATOM 1510 C LYS A 102 35.354 39.924 -35.238 1.00 24.03 C ATOM 1511 O LYS A 102 36.114 40.092 -34.282 1.00 61.52 O ATOM 1512 CB LYS A 102 34.154 37.906 -36.031 1.00 63.24 C ATOM 1513 CG LYS A 102 32.845 37.143 -36.139 1.00 64.00 C ATOM 1514 CD LYS A 102 32.947 35.969 -37.097 1.00 42.35 C ATOM 1515 CE LYS A 102 31.676 35.140 -37.083 1.00 32.33 C ATOM 1516 NZ LYS A 102 31.751 33.984 -38.011 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.594 39.838 -36.402 1.00 25.22 H new ATOM 0 HA LYS A 102 33.966 38.786 -34.069 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.456 38.238 -37.024 1.00 63.24 H new ATOM 0 HB3 LYS A 102 34.931 37.231 -35.671 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.554 36.782 -35.153 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.059 37.818 -36.476 1.00 64.00 H new ATOM 0 HD2 LYS A 102 33.135 36.335 -38.106 1.00 42.35 H new ATOM 0 HD3 LYS A 102 33.796 35.343 -36.821 1.00 42.35 H new ATOM 0 HE2 LYS A 102 31.490 34.780 -36.071 1.00 32.33 H new ATOM 0 HE3 LYS A 102 30.830 35.770 -37.358 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 30.862 33.446 -37.969 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 31.902 34.327 -38.981 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 32.542 33.368 -37.734 1.00 73.14 H new ATOM 1530 N THR A 103 35.568 40.432 -36.437 1.00 32.11 N ATOM 1531 CA THR A 103 36.811 41.096 -36.780 1.00 65.25 C ATOM 1532 C THR A 103 36.741 42.584 -36.448 1.00 51.12 C ATOM 1533 O THR A 103 37.761 43.230 -36.200 1.00 72.12 O ATOM 1534 CB THR A 103 37.115 40.901 -38.275 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.811 39.553 -38.658 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.574 41.170 -38.574 1.00 15.44 C ATOM 0 H THR A 103 34.889 40.396 -37.197 1.00 32.11 H new ATOM 0 HA THR A 103 37.613 40.652 -36.191 1.00 65.25 H new ATOM 0 HB THR A 103 36.501 41.605 -38.837 1.00 3.51 H new ATOM 0 HG1 THR A 103 37.004 39.432 -39.611 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.760 41.025 -39.638 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.818 42.196 -38.300 1.00 15.44 H new ATOM 0 HG23 THR A 103 39.196 40.483 -38.000 1.00 15.44 H new ATOM 1544 N GLY A 104 35.526 43.112 -36.429 1.00 65.24 N ATOM 1545 CA GLY A 104 35.318 44.504 -36.082 1.00 42.41 C ATOM 1546 C GLY A 104 35.716 45.460 -37.186 1.00 24.42 C ATOM 1547 O GLY A 104 36.696 46.197 -37.067 1.00 13.23 O ATOM 0 H GLY A 104 34.674 42.597 -36.650 1.00 65.24 H new ATOM 0 HA2 GLY A 104 34.267 44.658 -35.839 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.890 44.737 -35.184 1.00 42.41 H new ATOM 1551 N GLN A 105 34.945 45.445 -38.263 1.00 51.35 N ATOM 1552 CA GLN A 105 35.141 46.355 -39.382 1.00 72.04 C ATOM 1553 C GLN A 105 33.788 46.881 -39.835 1.00 12.40 C ATOM 1554 O GLN A 105 32.793 46.154 -39.786 1.00 64.30 O ATOM 1555 CB GLN A 105 35.835 45.655 -40.555 1.00 71.44 C ATOM 1556 CG GLN A 105 37.218 45.116 -40.228 1.00 11.23 C ATOM 1557 CD GLN A 105 37.935 44.583 -41.451 1.00 44.43 C ATOM 1558 OE1 GLN A 105 38.654 45.313 -42.131 1.00 42.45 O ATOM 1559 NE2 GLN A 105 37.738 43.308 -41.746 1.00 23.32 N ATOM 0 H GLN A 105 34.164 44.800 -38.386 1.00 51.35 H new ATOM 0 HA GLN A 105 35.778 47.176 -39.053 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.207 44.831 -40.895 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.918 46.357 -41.385 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.816 45.908 -39.776 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.129 44.321 -39.487 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.134 42.736 -41.156 1.00 23.32 H new ATOM 0 HE22 GLN A 105 38.190 42.898 -42.563 1.00 23.32 H new ATOM 1568 N THR A 106 33.738 48.128 -40.264 1.00 25.35 N ATOM 1569 CA THR A 106 32.492 48.707 -40.722 1.00 43.25 C ATOM 1570 C THR A 106 32.535 48.941 -42.235 1.00 44.11 C ATOM 1571 O THR A 106 33.050 49.949 -42.726 1.00 33.22 O ATOM 1572 CB THR A 106 32.141 50.006 -39.947 1.00 61.32 C ATOM 1573 OG1 THR A 106 30.922 50.573 -40.442 1.00 1.35 O ATOM 1574 CG2 THR A 106 33.259 51.037 -40.027 1.00 5.13 C ATOM 0 H THR A 106 34.541 48.755 -40.304 1.00 25.35 H new ATOM 0 HA THR A 106 31.693 47.996 -40.514 1.00 43.25 H new ATOM 0 HB THR A 106 32.013 49.730 -38.900 1.00 61.32 H new ATOM 0 HG1 THR A 106 30.714 51.390 -39.942 1.00 1.35 H new ATOM 0 HG21 THR A 106 32.971 51.930 -39.471 1.00 5.13 H new ATOM 0 HG22 THR A 106 34.170 50.620 -39.597 1.00 5.13 H new ATOM 0 HG23 THR A 106 33.437 51.300 -41.070 1.00 5.13 H new ATOM 1582 N SER A 107 32.024 47.968 -42.977 1.00 30.10 N ATOM 1583 CA SER A 107 31.993 48.052 -44.424 1.00 71.15 C ATOM 1584 C SER A 107 30.727 48.769 -44.860 1.00 42.21 C ATOM 1585 O SER A 107 29.615 48.274 -44.663 1.00 53.14 O ATOM 1586 CB SER A 107 32.066 46.657 -45.051 1.00 62.32 C ATOM 1587 OG SER A 107 32.164 46.741 -46.466 1.00 35.01 O ATOM 0 H SER A 107 31.625 47.110 -42.596 1.00 30.10 H new ATOM 0 HA SER A 107 32.861 48.616 -44.766 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.928 46.120 -44.654 1.00 62.32 H new ATOM 0 HB3 SER A 107 31.180 46.084 -44.777 1.00 62.32 H new ATOM 0 HG SER A 107 32.211 45.838 -46.845 1.00 35.01 H new ATOM 1593 N THR A 108 30.898 49.946 -45.429 1.00 61.34 N ATOM 1594 CA THR A 108 29.773 50.764 -45.821 1.00 45.01 C ATOM 1595 C THR A 108 29.550 50.710 -47.329 1.00 51.14 C ATOM 1596 O THR A 108 30.370 51.203 -48.107 1.00 24.12 O ATOM 1597 CB THR A 108 29.987 52.221 -45.384 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.257 52.268 -43.976 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.761 53.056 -45.695 1.00 12.31 C ATOM 0 H THR A 108 31.810 50.356 -45.630 1.00 61.34 H new ATOM 0 HA THR A 108 28.888 50.366 -45.325 1.00 45.01 H new ATOM 0 HB THR A 108 30.836 52.628 -45.933 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.422 52.426 -43.488 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.932 54.085 -45.378 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.568 53.034 -46.768 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.900 52.651 -45.163 1.00 12.31 H new ATOM 1607 N ILE A 109 28.450 50.091 -47.734 1.00 13.34 N ATOM 1608 CA ILE A 109 28.097 50.005 -49.143 1.00 55.11 C ATOM 1609 C ILE A 109 26.905 50.911 -49.429 1.00 14.15 C ATOM 1610 O ILE A 109 25.787 50.638 -48.991 1.00 1.14 O ATOM 1611 CB ILE A 109 27.748 48.561 -49.590 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.906 47.588 -49.325 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.385 48.539 -51.067 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.980 47.089 -47.898 1.00 12.41 C ATOM 0 H ILE A 109 27.786 49.640 -47.105 1.00 13.34 H new ATOM 0 HA ILE A 109 28.973 50.323 -49.708 1.00 55.11 H new ATOM 0 HB ILE A 109 26.892 48.234 -49.000 1.00 61.20 H new ATOM 0 HG12 ILE A 109 28.807 46.732 -49.993 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.845 48.081 -49.575 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.142 47.520 -51.367 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.523 49.183 -51.239 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.230 48.899 -51.655 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.824 46.407 -47.794 1.00 12.41 H new ATOM 0 HD12 ILE A 109 29.111 47.935 -47.223 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.058 46.565 -47.648 1.00 12.41 H new ATOM 1626 N GLN A 110 27.146 51.996 -50.144 1.00 42.43 N ATOM 1627 CA GLN A 110 26.091 52.944 -50.465 1.00 3.53 C ATOM 1628 C GLN A 110 25.429 52.612 -51.792 1.00 10.22 C ATOM 1629 O GLN A 110 26.036 51.989 -52.667 1.00 61.10 O ATOM 1630 CB GLN A 110 26.638 54.369 -50.485 1.00 51.25 C ATOM 1631 CG GLN A 110 26.851 54.926 -49.093 1.00 2.41 C ATOM 1632 CD GLN A 110 27.614 56.235 -49.084 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.025 57.312 -49.132 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.931 56.146 -49.027 1.00 32.10 N ATOM 0 H GLN A 110 28.064 52.243 -50.514 1.00 42.43 H new ATOM 0 HA GLN A 110 25.332 52.870 -49.686 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.583 54.385 -51.028 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.947 55.013 -51.029 1.00 51.25 H new ATOM 0 HG2 GLN A 110 25.882 55.074 -48.616 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.392 54.193 -48.494 1.00 2.41 H new ATOM 0 HE21 GLN A 110 29.379 55.231 -48.988 1.00 32.10 H new ATOM 0 HE22 GLN A 110 29.500 56.993 -49.022 1.00 32.10 H new ATOM 1643 N VAL A 111 24.178 53.030 -51.918 1.00 22.34 N ATOM 1644 CA VAL A 111 23.387 52.784 -53.108 1.00 74.24 C ATOM 1645 C VAL A 111 24.091 53.287 -54.368 1.00 21.00 C ATOM 1646 O VAL A 111 24.282 54.489 -54.566 1.00 75.11 O ATOM 1647 CB VAL A 111 21.984 53.422 -52.983 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.071 54.901 -52.632 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.196 53.225 -54.261 1.00 44.35 C ATOM 0 H VAL A 111 23.684 53.551 -51.193 1.00 22.34 H new ATOM 0 HA VAL A 111 23.270 51.704 -53.199 1.00 74.24 H new ATOM 0 HB VAL A 111 21.463 52.919 -52.168 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.066 55.316 -52.552 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.589 55.019 -51.680 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.620 55.428 -53.412 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.211 53.680 -54.155 1.00 44.35 H new ATOM 0 HG22 VAL A 111 21.725 53.694 -55.091 1.00 44.35 H new ATOM 0 HG23 VAL A 111 21.084 52.159 -54.458 1.00 44.35 H new ATOM 1659 N SER A 112 24.510 52.343 -55.192 1.00 13.43 N ATOM 1660 CA SER A 112 25.149 52.648 -56.456 1.00 25.44 C ATOM 1661 C SER A 112 24.570 51.740 -57.531 1.00 41.43 C ATOM 1662 O SER A 112 24.372 50.550 -57.289 1.00 54.32 O ATOM 1663 CB SER A 112 26.660 52.439 -56.339 1.00 73.52 C ATOM 1664 OG SER A 112 27.166 53.030 -55.149 1.00 50.04 O ATOM 0 H SER A 112 24.416 51.345 -55.002 1.00 13.43 H new ATOM 0 HA SER A 112 24.966 53.689 -56.723 1.00 25.44 H new ATOM 0 HB2 SER A 112 26.884 51.372 -56.343 1.00 73.52 H new ATOM 0 HB3 SER A 112 27.159 52.873 -57.205 1.00 73.52 H new ATOM 0 HG SER A 112 26.817 52.548 -54.370 1.00 50.04 H new ATOM 1670 N GLY A 113 24.284 52.288 -58.702 1.00 3.12 N ATOM 1671 CA GLY A 113 23.679 51.492 -59.747 1.00 51.54 C ATOM 1672 C GLY A 113 23.274 52.312 -60.949 1.00 51.43 C ATOM 1673 O GLY A 113 24.124 52.799 -61.694 1.00 53.21 O ATOM 0 H GLY A 113 24.459 53.263 -58.946 1.00 3.12 H new ATOM 0 HA2 GLY A 113 24.380 50.719 -60.060 1.00 51.54 H new ATOM 0 HA3 GLY A 113 22.801 50.983 -59.348 1.00 51.54 H new ATOM 1677 N LEU A 114 21.977 52.483 -61.135 1.00 24.32 N ATOM 1678 CA LEU A 114 21.466 53.146 -62.326 1.00 41.32 C ATOM 1679 C LEU A 114 21.163 54.614 -62.051 1.00 21.34 C ATOM 1680 O LEU A 114 20.011 54.993 -61.831 1.00 34.33 O ATOM 1681 CB LEU A 114 20.211 52.436 -62.843 1.00 64.43 C ATOM 1682 CG LEU A 114 20.401 50.963 -63.220 1.00 3.52 C ATOM 1683 CD1 LEU A 114 19.088 50.362 -63.694 1.00 71.24 C ATOM 1684 CD2 LEU A 114 21.468 50.815 -64.297 1.00 25.04 C ATOM 0 H LEU A 114 21.259 52.174 -60.480 1.00 24.32 H new ATOM 0 HA LEU A 114 22.239 53.095 -63.092 1.00 41.32 H new ATOM 0 HB2 LEU A 114 19.436 52.502 -62.080 1.00 64.43 H new ATOM 0 HB3 LEU A 114 19.844 52.973 -63.717 1.00 64.43 H new ATOM 0 HG LEU A 114 20.731 50.424 -62.332 1.00 3.52 H new ATOM 0 HD11 LEU A 114 19.241 49.316 -63.958 1.00 71.24 H new ATOM 0 HD12 LEU A 114 18.348 50.431 -62.897 1.00 71.24 H new ATOM 0 HD13 LEU A 114 18.732 50.908 -64.568 1.00 71.24 H new ATOM 0 HD21 LEU A 114 21.587 49.761 -64.549 1.00 25.04 H new ATOM 0 HD22 LEU A 114 21.167 51.369 -65.186 1.00 25.04 H new ATOM 0 HD23 LEU A 114 22.415 51.208 -63.927 1.00 25.04 H new ATOM 1696 N GLN A 115 22.204 55.432 -62.038 1.00 45.34 N ATOM 1697 CA GLN A 115 22.044 56.865 -61.835 1.00 40.42 C ATOM 1698 C GLN A 115 22.484 57.629 -63.082 1.00 4.04 C ATOM 1699 O GLN A 115 22.241 58.830 -63.212 1.00 53.53 O ATOM 1700 CB GLN A 115 22.852 57.316 -60.615 1.00 34.14 C ATOM 1701 CG GLN A 115 22.469 56.592 -59.330 1.00 25.34 C ATOM 1702 CD GLN A 115 23.338 56.984 -58.150 1.00 62.34 C ATOM 1703 OE1 GLN A 115 24.504 57.345 -58.314 1.00 30.31 O ATOM 1704 NE2 GLN A 115 22.783 56.894 -56.953 1.00 61.02 N ATOM 0 H GLN A 115 23.169 55.129 -62.166 1.00 45.34 H new ATOM 0 HA GLN A 115 20.991 57.080 -61.654 1.00 40.42 H new ATOM 0 HB2 GLN A 115 23.912 57.155 -60.811 1.00 34.14 H new ATOM 0 HB3 GLN A 115 22.714 58.388 -60.474 1.00 34.14 H new ATOM 0 HG2 GLN A 115 21.427 56.807 -59.095 1.00 25.34 H new ATOM 0 HG3 GLN A 115 22.544 55.516 -59.489 1.00 25.34 H new ATOM 0 HE21 GLN A 115 21.813 56.591 -56.862 1.00 61.02 H new ATOM 0 HE22 GLN A 115 23.324 57.128 -56.121 1.00 61.02 H new ATOM 1713 N ASN A 116 23.122 56.921 -64.005 1.00 43.54 N ATOM 1714 CA ASN A 116 23.594 57.530 -65.242 1.00 10.42 C ATOM 1715 C ASN A 116 22.806 56.996 -66.436 1.00 30.14 C ATOM 1716 O ASN A 116 21.995 56.077 -66.297 1.00 42.14 O ATOM 1717 CB ASN A 116 25.094 57.271 -65.435 1.00 13.45 C ATOM 1718 CG ASN A 116 25.411 55.842 -65.839 1.00 41.32 C ATOM 1719 OD1 ASN A 116 25.559 54.961 -64.992 1.00 22.52 O ATOM 1720 ND2 ASN A 116 25.541 55.611 -67.137 1.00 63.44 N ATOM 0 H ASN A 116 23.325 55.925 -63.921 1.00 43.54 H new ATOM 0 HA ASN A 116 23.436 58.606 -65.174 1.00 10.42 H new ATOM 0 HB2 ASN A 116 25.478 57.950 -66.197 1.00 13.45 H new ATOM 0 HB3 ASN A 116 25.618 57.504 -64.508 1.00 13.45 H new ATOM 0 HD21 ASN A 116 25.772 54.674 -67.468 1.00 63.44 H new ATOM 0 HD22 ASN A 116 25.410 56.370 -67.806 1.00 63.44 H new ATOM 1727 N ASN A 117 23.047 57.576 -67.601 1.00 33.24 N ATOM 1728 CA ASN A 117 22.341 57.186 -68.814 1.00 2.33 C ATOM 1729 C ASN A 117 23.257 56.436 -69.774 1.00 51.41 C ATOM 1730 O ASN A 117 24.391 56.849 -70.014 1.00 1.42 O ATOM 1731 CB ASN A 117 21.755 58.419 -69.512 1.00 61.13 C ATOM 1732 CG ASN A 117 21.291 58.124 -70.930 1.00 30.42 C ATOM 1733 OD1 ASN A 117 22.036 58.314 -71.894 1.00 34.24 O ATOM 1734 ND2 ASN A 117 20.067 57.641 -71.067 1.00 5.04 N ATOM 0 H ASN A 117 23.729 58.322 -67.734 1.00 33.24 H new ATOM 0 HA ASN A 117 21.530 56.518 -68.523 1.00 2.33 H new ATOM 0 HB2 ASN A 117 20.914 58.796 -68.930 1.00 61.13 H new ATOM 0 HB3 ASN A 117 22.506 59.209 -69.536 1.00 61.13 H new ATOM 0 HD21 ASN A 117 19.710 57.412 -71.995 1.00 5.04 H new ATOM 0 HD22 ASN A 117 19.480 57.498 -70.245 1.00 5.04 H new ATOM 1741 N SER A 118 22.762 55.327 -70.305 1.00 14.15 N ATOM 1742 CA SER A 118 23.481 54.579 -71.322 1.00 75.22 C ATOM 1743 C SER A 118 23.165 55.132 -72.711 1.00 42.11 C ATOM 1744 O SER A 118 22.028 55.044 -73.183 1.00 3.43 O ATOM 1745 CB SER A 118 23.106 53.097 -71.256 1.00 22.31 C ATOM 1746 OG SER A 118 23.325 52.569 -69.958 1.00 43.44 O ATOM 0 H SER A 118 21.861 54.925 -70.046 1.00 14.15 H new ATOM 0 HA SER A 118 24.550 54.683 -71.135 1.00 75.22 H new ATOM 0 HB2 SER A 118 22.059 52.972 -71.530 1.00 22.31 H new ATOM 0 HB3 SER A 118 23.695 52.538 -71.983 1.00 22.31 H new ATOM 0 HG SER A 118 23.076 51.621 -69.944 1.00 43.44 H new ATOM 1752 N THR A 119 24.160 55.725 -73.351 1.00 1.13 N ATOM 1753 CA THR A 119 23.999 56.249 -74.696 1.00 11.34 C ATOM 1754 C THR A 119 24.580 55.277 -75.719 1.00 73.20 C ATOM 1755 O THR A 119 25.792 55.057 -75.759 1.00 53.00 O ATOM 1756 CB THR A 119 24.681 57.622 -74.836 1.00 14.15 C ATOM 1757 OG1 THR A 119 24.286 58.467 -73.746 1.00 61.21 O ATOM 1758 CG2 THR A 119 24.306 58.283 -76.157 1.00 31.13 C ATOM 0 H THR A 119 25.092 55.855 -72.957 1.00 1.13 H new ATOM 0 HA THR A 119 22.932 56.370 -74.884 1.00 11.34 H new ATOM 0 HB THR A 119 25.761 57.475 -74.818 1.00 14.15 H new ATOM 0 HG1 THR A 119 23.451 58.131 -73.358 1.00 61.21 H new ATOM 0 HG21 THR A 119 24.800 59.252 -76.232 1.00 31.13 H new ATOM 0 HG22 THR A 119 24.623 57.648 -76.984 1.00 31.13 H new ATOM 0 HG23 THR A 119 23.226 58.422 -76.200 1.00 31.13 H new ATOM 1766 N ASP A 120 23.711 54.685 -76.529 1.00 14.24 N ATOM 1767 CA ASP A 120 24.144 53.703 -77.517 1.00 62.41 C ATOM 1768 C ASP A 120 24.468 54.378 -78.841 1.00 11.22 C ATOM 1769 O ASP A 120 23.691 54.306 -79.797 1.00 34.13 O ATOM 1770 CB ASP A 120 23.076 52.628 -77.739 1.00 21.11 C ATOM 1771 CG ASP A 120 22.685 51.911 -76.465 1.00 5.01 C ATOM 1772 OD1 ASP A 120 21.642 52.277 -75.875 1.00 42.22 O ATOM 1773 OD2 ASP A 120 23.401 50.974 -76.056 1.00 22.14 O1- ATOM 0 H ASP A 120 22.707 54.866 -76.522 1.00 14.24 H new ATOM 0 HA ASP A 120 25.043 53.225 -77.128 1.00 62.41 H new ATOM 0 HB2 ASP A 120 22.190 53.089 -78.177 1.00 21.11 H new ATOM 0 HB3 ASP A 120 23.446 51.900 -78.460 1.00 21.11 H new ATOM 1778 N PHE A 121 25.600 55.059 -78.887 1.00 13.21 N ATOM 1779 CA PHE A 121 26.026 55.744 -80.096 1.00 25.12 C ATOM 1780 C PHE A 121 27.544 55.776 -80.182 1.00 43.12 C ATOM 1781 O PHE A 121 28.220 56.227 -79.258 1.00 24.43 O ATOM 1782 CB PHE A 121 25.464 57.170 -80.140 1.00 11.52 C ATOM 1783 CG PHE A 121 25.835 57.922 -81.388 1.00 23.13 C ATOM 1784 CD1 PHE A 121 26.816 58.902 -81.360 1.00 75.24 C ATOM 1785 CD2 PHE A 121 25.208 57.642 -82.593 1.00 41.35 C ATOM 1786 CE1 PHE A 121 27.163 59.588 -82.508 1.00 60.15 C ATOM 1787 CE2 PHE A 121 25.551 58.326 -83.744 1.00 43.42 C ATOM 1788 CZ PHE A 121 26.529 59.299 -83.701 1.00 30.42 C ATOM 0 H PHE A 121 26.242 55.153 -78.100 1.00 13.21 H new ATOM 0 HA PHE A 121 25.637 55.193 -80.953 1.00 25.12 H new ATOM 0 HB2 PHE A 121 24.378 57.127 -80.061 1.00 11.52 H new ATOM 0 HB3 PHE A 121 25.825 57.721 -79.272 1.00 11.52 H new ATOM 0 HD1 PHE A 121 27.315 59.132 -80.430 1.00 75.24 H new ATOM 0 HD2 PHE A 121 24.443 56.881 -82.632 1.00 41.35 H new ATOM 0 HE1 PHE A 121 27.929 60.349 -82.473 1.00 60.15 H new ATOM 0 HE2 PHE A 121 25.054 58.099 -84.676 1.00 43.42 H new ATOM 0 HZ PHE A 121 26.799 59.834 -84.600 1.00 30.42 H new ATOM 1798 N HIS A 122 28.073 55.276 -81.282 1.00 74.33 N ATOM 1799 CA HIS A 122 29.504 55.302 -81.516 1.00 33.51 C ATOM 1800 C HIS A 122 29.773 55.515 -83.003 1.00 61.51 C ATOM 1801 O HIS A 122 29.429 54.670 -83.828 1.00 44.21 O ATOM 1802 CB HIS A 122 30.139 53.989 -81.033 1.00 14.54 C ATOM 1803 CG HIS A 122 31.630 54.048 -80.856 1.00 14.41 C ATOM 1804 ND1 HIS A 122 32.593 54.650 -81.594 1.00 72.31 N flip ATOM 1805 CD2 HIS A 122 32.289 53.423 -79.817 1.00 55.51 C flip ATOM 1806 CE1 HIS A 122 33.795 54.381 -80.995 1.00 74.34 C flip ATOM 1807 NE2 HIS A 122 33.587 53.641 -79.926 1.00 72.12 N flip ATOM 0 H HIS A 122 27.531 54.845 -82.031 1.00 74.33 H new ATOM 0 HA HIS A 122 29.950 56.124 -80.956 1.00 33.51 H new ATOM 0 HB2 HIS A 122 29.684 53.707 -80.084 1.00 14.54 H new ATOM 0 HB3 HIS A 122 29.901 53.201 -81.747 1.00 14.54 H new ATOM 0 HD1 HIS A 122 32.450 55.202 -82.440 1.00 72.31 H new ATOM 0 HD2 HIS A 122 31.817 52.845 -79.036 1.00 55.51 H new ATOM 0 HE1 HIS A 122 34.759 54.721 -81.344 1.00 74.34 H new ATOM 1816 N HIS A 123 30.358 56.657 -83.342 1.00 41.22 N ATOM 1817 CA HIS A 123 30.742 56.937 -84.720 1.00 40.20 C ATOM 1818 C HIS A 123 31.856 55.983 -85.148 1.00 14.21 C ATOM 1819 O HIS A 123 32.767 55.699 -84.373 1.00 55.44 O ATOM 1820 CB HIS A 123 31.188 58.401 -84.856 1.00 64.15 C ATOM 1821 CG HIS A 123 31.535 58.814 -86.255 1.00 33.35 C ATOM 1822 ND1 HIS A 123 30.666 59.490 -87.082 1.00 51.31 N ATOM 1823 CD2 HIS A 123 32.672 58.652 -86.967 1.00 23.32 C ATOM 1824 CE1 HIS A 123 31.254 59.720 -88.239 1.00 62.03 C ATOM 1825 NE2 HIS A 123 32.474 59.225 -88.194 1.00 11.12 N ATOM 0 H HIS A 123 30.577 57.404 -82.682 1.00 41.22 H new ATOM 0 HA HIS A 123 29.884 56.782 -85.374 1.00 40.20 H new ATOM 0 HB2 HIS A 123 30.392 59.047 -84.486 1.00 64.15 H new ATOM 0 HB3 HIS A 123 32.055 58.565 -84.216 1.00 64.15 H new ATOM 0 HD2 HIS A 123 33.572 58.160 -86.630 1.00 23.32 H new ATOM 0 HE1 HIS A 123 30.810 60.229 -89.082 1.00 62.03 H new ATOM 0 HE2 HIS A 123 33.158 59.263 -88.949 1.00 11.12 H new ATOM 1834 N HIS A 124 31.782 55.491 -86.375 1.00 75.21 N ATOM 1835 CA HIS A 124 32.741 54.509 -86.862 1.00 61.31 C ATOM 1836 C HIS A 124 34.129 55.109 -87.016 1.00 45.43 C ATOM 1837 O HIS A 124 34.333 56.050 -87.780 1.00 72.22 O ATOM 1838 CB HIS A 124 32.280 53.910 -88.192 1.00 55.11 C ATOM 1839 CG HIS A 124 31.152 52.941 -88.041 1.00 30.43 C ATOM 1840 ND1 HIS A 124 29.957 53.054 -88.718 1.00 72.32 N ATOM 1841 CD2 HIS A 124 31.044 51.832 -87.275 1.00 11.23 C ATOM 1842 CE1 HIS A 124 29.166 52.053 -88.379 1.00 60.11 C ATOM 1843 NE2 HIS A 124 29.801 51.301 -87.503 1.00 42.31 N ATOM 0 H HIS A 124 31.067 55.755 -87.053 1.00 75.21 H new ATOM 0 HA HIS A 124 32.796 53.716 -86.117 1.00 61.31 H new ATOM 0 HB2 HIS A 124 31.972 54.715 -88.859 1.00 55.11 H new ATOM 0 HB3 HIS A 124 33.122 53.407 -88.668 1.00 55.11 H new ATOM 0 HD2 HIS A 124 31.797 51.438 -86.608 1.00 11.23 H new ATOM 0 HE1 HIS A 124 28.169 51.880 -88.755 1.00 60.11 H new ATOM 0 HE2 HIS A 124 29.428 50.459 -87.065 1.00 42.31 H new ATOM 1852 N HIS A 125 35.070 54.569 -86.262 1.00 33.11 N ATOM 1853 CA HIS A 125 36.468 54.959 -86.370 1.00 42.42 C ATOM 1854 C HIS A 125 37.303 53.739 -86.723 1.00 12.25 C ATOM 1855 O HIS A 125 37.183 52.695 -86.079 1.00 65.23 O ATOM 1856 CB HIS A 125 36.979 55.571 -85.059 1.00 11.44 C ATOM 1857 CG HIS A 125 36.483 56.961 -84.782 1.00 60.43 C ATOM 1858 ND1 HIS A 125 35.255 57.412 -84.436 1.00 71.41 N flip ATOM 1859 CD2 HIS A 125 37.294 58.074 -84.833 1.00 3.32 C flip ATOM 1860 CE1 HIS A 125 35.346 58.773 -84.286 1.00 54.41 C flip ATOM 1861 NE2 HIS A 125 36.587 59.147 -84.531 1.00 54.24 N flip ATOM 0 H HIS A 125 34.890 53.851 -85.560 1.00 33.11 H new ATOM 0 HA HIS A 125 36.556 55.713 -87.152 1.00 42.42 H new ATOM 0 HB2 HIS A 125 36.686 54.923 -84.233 1.00 11.44 H new ATOM 0 HB3 HIS A 125 38.069 55.586 -85.081 1.00 11.44 H new ATOM 0 HD1 HIS A 125 34.417 56.845 -84.310 1.00 71.41 H new ATOM 0 HD2 HIS A 125 38.345 58.069 -85.082 1.00 3.32 H new ATOM 0 HE1 HIS A 125 34.534 59.431 -84.012 1.00 54.41 H new ATOM 1870 N HIS A 126 38.136 53.863 -87.745 1.00 22.41 N ATOM 1871 CA HIS A 126 38.978 52.750 -88.165 1.00 73.13 C ATOM 1872 C HIS A 126 40.124 52.561 -87.174 1.00 14.44 C ATOM 1873 O HIS A 126 40.491 53.505 -86.471 1.00 61.23 O ATOM 1874 CB HIS A 126 39.498 52.952 -89.602 1.00 23.41 C ATOM 1875 CG HIS A 126 40.315 54.193 -89.813 1.00 43.53 C ATOM 1876 ND1 HIS A 126 39.759 55.416 -90.129 1.00 63.22 N ATOM 1877 CD2 HIS A 126 41.655 54.391 -89.779 1.00 54.42 C ATOM 1878 CE1 HIS A 126 40.721 56.309 -90.275 1.00 42.22 C ATOM 1879 NE2 HIS A 126 41.877 55.712 -90.070 1.00 15.42 N ATOM 0 H HIS A 126 38.248 54.714 -88.295 1.00 22.41 H new ATOM 0 HA HIS A 126 38.376 51.841 -88.171 1.00 73.13 H new ATOM 0 HB2 HIS A 126 40.101 52.087 -89.879 1.00 23.41 H new ATOM 0 HB3 HIS A 126 38.645 52.977 -90.281 1.00 23.41 H new ATOM 0 HD2 HIS A 126 42.408 53.647 -89.563 1.00 54.42 H new ATOM 0 HE1 HIS A 126 40.583 57.352 -90.521 1.00 42.22 H new ATOM 0 HE2 HIS A 126 42.792 56.161 -90.120 1.00 15.42 H new ATOM 1888 N HIS A 127 40.674 51.343 -87.138 1.00 12.35 N ATOM 1889 CA HIS A 127 41.655 50.931 -86.125 1.00 31.34 C ATOM 1890 C HIS A 127 40.971 50.682 -84.789 1.00 12.31 C ATOM 1891 O HIS A 127 40.645 49.515 -84.494 1.00 54.42 O ATOM 1892 CB HIS A 127 42.792 51.949 -85.945 1.00 12.42 C ATOM 1893 CG HIS A 127 43.870 51.847 -86.974 1.00 22.42 C ATOM 1894 ND1 HIS A 127 44.249 52.900 -87.772 1.00 5.05 N ATOM 1895 CD2 HIS A 127 44.673 50.815 -87.312 1.00 4.12 C ATOM 1896 CE1 HIS A 127 45.231 52.518 -88.564 1.00 42.13 C ATOM 1897 NE2 HIS A 127 45.512 51.258 -88.304 1.00 54.43 N ATOM 1898 OXT HIS A 127 40.755 51.650 -84.036 1.00 0.00 O1- ATOM 0 H HIS A 127 40.451 50.611 -87.813 1.00 12.35 H new ATOM 0 HA HIS A 127 42.103 50.006 -86.488 1.00 31.34 H new ATOM 0 HB2 HIS A 127 42.373 52.955 -85.972 1.00 12.42 H new ATOM 0 HB3 HIS A 127 43.233 51.814 -84.957 1.00 12.42 H new ATOM 0 HD2 HIS A 127 44.658 49.825 -86.882 1.00 4.12 H new ATOM 0 HE1 HIS A 127 45.722 53.135 -89.302 1.00 42.13 H new ATOM 0 HE2 HIS A 127 46.234 50.703 -88.764 1.00 54.43 H new TER 1907 HIS A 127