USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 595 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 25 HIS : no HD1:sc= 0.912 K(o=2.7,f=-0.49) USER MOD Set 1.2: A 64 ASN : amide:sc= 1.79 K(o=2.7,f=-0.26) USER MOD Set 2.1: A 37 ASN :FLIP amide:sc= 0.552 F(o=-0.74,f=0.22) USER MOD Set 2.2: A 40 SER OG : rot -107:sc= 0.549 USER MOD Set 2.3: A 42 GLN : amide:sc= -0.884 K(o=0.22,f=-0.43) USER MOD Set 3.1: A 8 MET CE :methyl -162:sc= 0 (180deg=-0.128) USER MOD Set 3.2: A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -142:sc= 0.301 (180deg=-0.601) USER MOD Single : A 1 SER OG : rot 96:sc= 0.815 USER MOD Single : A 2 ASN : amide:sc= 0.749 K(o=0.75,f=-0.54) USER MOD Single : A 5 MET CE :methyl -179:sc= 0 (180deg=-0.00179) USER MOD Single : A 11 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.18) USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.0897 USER MOD Single : A 21 GLN : amide:sc= -0.766 K(o=-0.77,f=-2.8) USER MOD Single : A 23 GLN : amide:sc= 0.0875 X(o=0.088,f=0) USER MOD Single : A 24 SER OG : rot 82:sc= 0.146 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -165:sc= -0.531 (180deg=-0.863) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0759) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 67:sc= 0.325 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.4!) USER MOD Single : A 58 THR OG1 : rot 64:sc= 1.04 USER MOD Single : A 61 MET CE :methyl -146:sc= -0.202 (180deg=-2.24) USER MOD Single : A 65 GLN : amide:sc=-0.00443 X(o=-0.0044,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.0068) USER MOD Single : A 67 SER OG : rot 12:sc= 0.483 USER MOD Single : A 69 ASN : amide:sc= -0.0341 K(o=-0.034,f=-5.3!) USER MOD Single : A 73 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.26) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -159:sc= -0.766 (180deg=-1.72!) USER MOD Single : A 78 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-3.4!) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 80 SER OG : rot 128:sc=0.000977 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.527 K(o=0.53,f=-0.001) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.770 9.538 -2.858 1.00 62.23 N ATOM 2 CA SER A 1 -4.212 9.355 -2.770 1.00 53.45 C ATOM 3 C SER A 1 -4.593 8.921 -1.346 1.00 22.34 C ATOM 4 O SER A 1 -4.822 9.780 -0.505 1.00 42.44 O ATOM 5 CB SER A 1 -4.633 8.416 -3.910 1.00 31.44 C ATOM 6 OG SER A 1 -4.401 9.032 -5.161 1.00 25.24 O ATOM 0 H1 SER A 1 -2.560 10.357 -3.463 1.00 62.23 H new ATOM 0 H2 SER A 1 -2.382 9.702 -1.907 1.00 62.23 H new ATOM 0 H3 SER A 1 -2.336 8.686 -3.267 1.00 62.23 H new ATOM 0 HA SER A 1 -4.774 10.277 -2.919 1.00 53.45 H new ATOM 0 HB2 SER A 1 -4.074 7.482 -3.847 1.00 31.44 H new ATOM 0 HB3 SER A 1 -5.689 8.163 -3.811 1.00 31.44 H new ATOM 0 HG SER A 1 -3.532 8.745 -5.511 1.00 25.24 H new ATOM 11 N ASN A 2 -4.567 7.628 -1.005 1.00 45.15 N ATOM 12 CA ASN A 2 -4.713 7.012 0.300 1.00 24.44 C ATOM 13 C ASN A 2 -4.386 5.518 0.192 1.00 61.42 C ATOM 14 O ASN A 2 -3.973 4.950 1.190 1.00 64.23 O ATOM 15 CB ASN A 2 -6.153 7.234 0.774 1.00 5.13 C ATOM 16 CG ASN A 2 -6.833 6.007 1.327 1.00 30.43 C ATOM 17 OD1 ASN A 2 -7.621 5.371 0.641 1.00 11.21 O ATOM 18 ND2 ASN A 2 -6.513 5.592 2.521 1.00 23.00 N ATOM 0 H ASN A 2 -4.427 6.917 -1.723 1.00 45.15 H new ATOM 0 HA ASN A 2 -4.028 7.455 1.023 1.00 24.44 H new ATOM 0 HB2 ASN A 2 -6.153 8.009 1.541 1.00 5.13 H new ATOM 0 HB3 ASN A 2 -6.741 7.613 -0.062 1.00 5.13 H new ATOM 0 HD21 ASN A 2 -6.920 4.732 2.888 1.00 23.00 H new ATOM 0 HD22 ASN A 2 -5.855 6.127 3.088 1.00 23.00 H new ATOM 24 N ILE A 3 -4.477 4.880 -0.984 1.00 34.04 N ATOM 25 CA ILE A 3 -4.033 3.500 -1.155 1.00 25.30 C ATOM 26 C ILE A 3 -2.782 3.542 -1.996 1.00 1.11 C ATOM 27 O ILE A 3 -2.797 4.131 -3.083 1.00 4.30 O ATOM 28 CB ILE A 3 -5.100 2.589 -1.787 1.00 2.32 C ATOM 29 CG1 ILE A 3 -6.274 2.476 -0.807 1.00 3.10 C ATOM 30 CG2 ILE A 3 -4.499 1.210 -2.083 1.00 23.42 C ATOM 31 CD1 ILE A 3 -7.421 1.554 -1.203 1.00 70.05 C ATOM 0 H ILE A 3 -4.856 5.305 -1.830 1.00 34.04 H new ATOM 0 HA ILE A 3 -3.840 3.062 -0.176 1.00 25.30 H new ATOM 0 HB ILE A 3 -5.452 3.008 -2.730 1.00 2.32 H new ATOM 0 HG12 ILE A 3 -5.883 2.137 0.152 1.00 3.10 H new ATOM 0 HG13 ILE A 3 -6.681 3.475 -0.650 1.00 3.10 H new ATOM 0 HG21 ILE A 3 -5.260 0.570 -2.530 1.00 23.42 H new ATOM 0 HG22 ILE A 3 -3.663 1.318 -2.774 1.00 23.42 H new ATOM 0 HG23 ILE A 3 -4.146 0.760 -1.155 1.00 23.42 H new ATOM 0 HD11 ILE A 3 -8.183 1.566 -0.424 1.00 70.05 H new ATOM 0 HD12 ILE A 3 -7.856 1.897 -2.142 1.00 70.05 H new ATOM 0 HD13 ILE A 3 -7.045 0.538 -1.327 1.00 70.05 H new ATOM 42 N VAL A 4 -1.722 2.924 -1.503 1.00 23.34 N ATOM 43 CA VAL A 4 -0.528 2.647 -2.269 1.00 31.10 C ATOM 44 C VAL A 4 -0.548 1.159 -2.639 1.00 74.55 C ATOM 45 O VAL A 4 -1.036 0.309 -1.885 1.00 70.23 O ATOM 46 CB VAL A 4 0.694 3.147 -1.480 1.00 63.14 C ATOM 47 CG1 VAL A 4 1.982 2.753 -2.195 1.00 31.30 C ATOM 48 CG2 VAL A 4 0.633 4.686 -1.400 1.00 52.03 C ATOM 0 H VAL A 4 -1.671 2.596 -0.539 1.00 23.34 H new ATOM 0 HA VAL A 4 -0.475 3.183 -3.217 1.00 31.10 H new ATOM 0 HB VAL A 4 0.683 2.703 -0.484 1.00 63.14 H new ATOM 0 HG11 VAL A 4 2.839 3.113 -1.626 1.00 31.30 H new ATOM 0 HG12 VAL A 4 2.033 1.668 -2.280 1.00 31.30 H new ATOM 0 HG13 VAL A 4 1.996 3.196 -3.191 1.00 31.30 H new ATOM 0 HG21 VAL A 4 1.494 5.056 -0.843 1.00 52.03 H new ATOM 0 HG22 VAL A 4 0.646 5.103 -2.407 1.00 52.03 H new ATOM 0 HG23 VAL A 4 -0.284 4.988 -0.894 1.00 52.03 H new ATOM 58 N MET A 5 -0.069 0.885 -3.849 1.00 5.22 N ATOM 59 CA MET A 5 0.020 -0.385 -4.536 1.00 61.51 C ATOM 60 C MET A 5 1.488 -0.686 -4.727 1.00 63.53 C ATOM 61 O MET A 5 2.129 -0.040 -5.551 1.00 42.45 O ATOM 62 CB MET A 5 -0.645 -0.227 -5.908 1.00 4.40 C ATOM 63 CG MET A 5 -1.031 -1.518 -6.611 1.00 73.23 C ATOM 64 SD MET A 5 -1.190 -1.293 -8.396 1.00 5.40 S ATOM 65 CE MET A 5 -1.455 -3.023 -8.788 1.00 55.25 C ATOM 0 H MET A 5 0.306 1.635 -4.429 1.00 5.22 H new ATOM 0 HA MET A 5 -0.467 -1.184 -3.977 1.00 61.51 H new ATOM 0 HB2 MET A 5 -1.542 0.381 -5.788 1.00 4.40 H new ATOM 0 HB3 MET A 5 0.032 0.329 -6.557 1.00 4.40 H new ATOM 0 HG2 MET A 5 -0.280 -2.281 -6.407 1.00 73.23 H new ATOM 0 HG3 MET A 5 -1.975 -1.884 -6.206 1.00 73.23 H new ATOM 0 HE1 MET A 5 -1.565 -3.139 -9.866 1.00 55.25 H new ATOM 0 HE2 MET A 5 -0.602 -3.609 -8.445 1.00 55.25 H new ATOM 0 HE3 MET A 5 -2.359 -3.374 -8.291 1.00 55.25 H new ATOM 73 N LEU A 6 2.046 -1.610 -3.957 1.00 73.31 N ATOM 74 CA LEU A 6 3.458 -1.939 -4.078 1.00 23.10 C ATOM 75 C LEU A 6 3.564 -3.083 -5.068 1.00 13.31 C ATOM 76 O LEU A 6 3.443 -4.238 -4.674 1.00 23.32 O ATOM 77 CB LEU A 6 4.061 -2.333 -2.715 1.00 24.13 C ATOM 78 CG LEU A 6 4.116 -1.260 -1.611 1.00 34.12 C ATOM 79 CD1 LEU A 6 4.572 0.100 -2.146 1.00 73.11 C ATOM 80 CD2 LEU A 6 2.783 -1.121 -0.865 1.00 55.12 C ATOM 0 H LEU A 6 1.545 -2.142 -3.246 1.00 73.31 H new ATOM 0 HA LEU A 6 4.021 -1.073 -4.426 1.00 23.10 H new ATOM 0 HB2 LEU A 6 3.492 -3.179 -2.330 1.00 24.13 H new ATOM 0 HB3 LEU A 6 5.078 -2.685 -2.889 1.00 24.13 H new ATOM 0 HG LEU A 6 4.863 -1.608 -0.897 1.00 34.12 H new ATOM 0 HD11 LEU A 6 4.595 0.823 -1.330 1.00 73.11 H new ATOM 0 HD12 LEU A 6 5.569 0.006 -2.576 1.00 73.11 H new ATOM 0 HD13 LEU A 6 3.877 0.441 -2.913 1.00 73.11 H new ATOM 0 HD21 LEU A 6 2.874 -0.352 -0.097 1.00 55.12 H new ATOM 0 HD22 LEU A 6 2.000 -0.840 -1.569 1.00 55.12 H new ATOM 0 HD23 LEU A 6 2.527 -2.072 -0.398 1.00 55.12 H new ATOM 91 N ARG A 7 3.704 -2.786 -6.359 1.00 22.32 N ATOM 92 CA ARG A 7 3.967 -3.836 -7.340 1.00 12.04 C ATOM 93 C ARG A 7 5.405 -4.320 -7.177 1.00 60.43 C ATOM 94 O ARG A 7 6.279 -3.535 -6.808 1.00 41.42 O ATOM 95 CB ARG A 7 3.692 -3.343 -8.773 1.00 2.00 C ATOM 96 CG ARG A 7 2.180 -3.277 -9.052 1.00 60.51 C ATOM 97 CD ARG A 7 1.842 -3.313 -10.550 1.00 72.04 C ATOM 98 NE ARG A 7 1.649 -1.988 -11.158 1.00 5.14 N ATOM 99 CZ ARG A 7 1.182 -1.775 -12.396 1.00 31.02 C ATOM 100 NH1 ARG A 7 1.051 -2.783 -13.252 1.00 50.55 N ATOM 101 NH2 ARG A 7 0.848 -0.546 -12.769 1.00 3.20 N ATOM 0 H ARG A 7 3.641 -1.844 -6.745 1.00 22.32 H new ATOM 0 HA ARG A 7 3.291 -4.672 -7.164 1.00 12.04 H new ATOM 0 HB2 ARG A 7 4.135 -2.357 -8.914 1.00 2.00 H new ATOM 0 HB3 ARG A 7 4.169 -4.012 -9.489 1.00 2.00 H new ATOM 0 HG2 ARG A 7 1.688 -4.113 -8.554 1.00 60.51 H new ATOM 0 HG3 ARG A 7 1.776 -2.363 -8.616 1.00 60.51 H new ATOM 0 HD2 ARG A 7 2.643 -3.830 -11.079 1.00 72.04 H new ATOM 0 HD3 ARG A 7 0.935 -3.901 -10.692 1.00 72.04 H new ATOM 0 HE ARG A 7 1.888 -1.171 -10.596 1.00 5.14 H new ATOM 0 HH11 ARG A 7 1.307 -3.729 -12.969 1.00 50.55 H new ATOM 0 HH12 ARG A 7 0.695 -2.611 -14.192 1.00 50.55 H new ATOM 0 HH21 ARG A 7 0.947 0.230 -12.115 1.00 3.20 H new ATOM 0 HH22 ARG A 7 0.492 -0.378 -13.710 1.00 3.20 H new ATOM 112 N MET A 8 5.640 -5.581 -7.550 1.00 60.53 N ATOM 113 CA MET A 8 6.942 -6.244 -7.623 1.00 12.44 C ATOM 114 C MET A 8 7.537 -6.560 -6.244 1.00 1.41 C ATOM 115 O MET A 8 8.634 -6.106 -5.926 1.00 11.42 O ATOM 116 CB MET A 8 7.931 -5.455 -8.505 1.00 43.05 C ATOM 117 CG MET A 8 7.332 -4.995 -9.834 1.00 1.32 C ATOM 118 SD MET A 8 8.540 -4.679 -11.142 1.00 60.33 S ATOM 119 CE MET A 8 9.624 -3.463 -10.343 1.00 71.23 C ATOM 0 H MET A 8 4.880 -6.202 -7.825 1.00 60.53 H new ATOM 0 HA MET A 8 6.766 -7.208 -8.101 1.00 12.44 H new ATOM 0 HB2 MET A 8 8.282 -4.583 -7.953 1.00 43.05 H new ATOM 0 HB3 MET A 8 8.803 -6.078 -8.705 1.00 43.05 H new ATOM 0 HG2 MET A 8 6.631 -5.753 -10.182 1.00 1.32 H new ATOM 0 HG3 MET A 8 6.758 -4.085 -9.662 1.00 1.32 H new ATOM 0 HE1 MET A 8 10.208 -2.942 -11.102 1.00 71.23 H new ATOM 0 HE2 MET A 8 9.019 -2.743 -9.792 1.00 71.23 H new ATOM 0 HE3 MET A 8 10.298 -3.973 -9.654 1.00 71.23 H new ATOM 127 N LEU A 9 6.854 -7.352 -5.409 1.00 40.44 N ATOM 128 CA LEU A 9 7.406 -7.768 -4.124 1.00 33.10 C ATOM 129 C LEU A 9 8.205 -9.070 -4.256 1.00 72.14 C ATOM 130 O LEU A 9 7.912 -9.893 -5.134 1.00 32.24 O ATOM 131 CB LEU A 9 6.250 -7.923 -3.119 1.00 62.44 C ATOM 132 CG LEU A 9 5.656 -6.569 -2.685 1.00 74.13 C ATOM 133 CD1 LEU A 9 4.537 -6.819 -1.679 1.00 0.41 C ATOM 134 CD2 LEU A 9 6.672 -5.633 -2.018 1.00 74.34 C ATOM 0 H LEU A 9 5.921 -7.714 -5.604 1.00 40.44 H new ATOM 0 HA LEU A 9 8.101 -7.009 -3.765 1.00 33.10 H new ATOM 0 HB2 LEU A 9 5.465 -8.534 -3.565 1.00 62.44 H new ATOM 0 HB3 LEU A 9 6.608 -8.457 -2.239 1.00 62.44 H new ATOM 0 HG LEU A 9 5.304 -6.084 -3.596 1.00 74.13 H new ATOM 0 HD11 LEU A 9 4.110 -5.866 -1.366 1.00 0.41 H new ATOM 0 HD12 LEU A 9 3.762 -7.430 -2.142 1.00 0.41 H new ATOM 0 HD13 LEU A 9 4.939 -7.340 -0.810 1.00 0.41 H new ATOM 0 HD21 LEU A 9 6.180 -4.701 -1.740 1.00 74.34 H new ATOM 0 HD22 LEU A 9 7.075 -6.111 -1.125 1.00 74.34 H new ATOM 0 HD23 LEU A 9 7.484 -5.422 -2.714 1.00 74.34 H new ATOM 145 N PRO A 10 9.183 -9.296 -3.358 1.00 71.51 N ATOM 146 CA PRO A 10 9.773 -10.608 -3.135 1.00 63.14 C ATOM 147 C PRO A 10 8.728 -11.527 -2.505 1.00 35.30 C ATOM 148 O PRO A 10 7.652 -11.074 -2.109 1.00 41.25 O ATOM 149 CB PRO A 10 10.957 -10.374 -2.193 1.00 15.40 C ATOM 150 CG PRO A 10 10.584 -9.112 -1.421 1.00 75.22 C ATOM 151 CD PRO A 10 9.664 -8.343 -2.370 1.00 62.22 C ATOM 0 HA PRO A 10 10.106 -11.085 -4.057 1.00 63.14 H new ATOM 0 HB2 PRO A 10 11.105 -11.221 -1.523 1.00 15.40 H new ATOM 0 HB3 PRO A 10 11.886 -10.241 -2.748 1.00 15.40 H new ATOM 0 HG2 PRO A 10 10.078 -9.353 -0.486 1.00 75.22 H new ATOM 0 HG3 PRO A 10 11.468 -8.528 -1.164 1.00 75.22 H new ATOM 0 HD2 PRO A 10 8.831 -7.899 -1.825 1.00 62.22 H new ATOM 0 HD3 PRO A 10 10.202 -7.526 -2.851 1.00 62.22 H new ATOM 156 N GLN A 11 9.052 -12.810 -2.355 1.00 51.15 N ATOM 157 CA GLN A 11 8.186 -13.728 -1.621 1.00 1.31 C ATOM 158 C GLN A 11 8.411 -13.588 -0.113 1.00 1.12 C ATOM 159 O GLN A 11 7.473 -13.803 0.652 1.00 74.31 O ATOM 160 CB GLN A 11 8.400 -15.173 -2.100 1.00 35.23 C ATOM 161 CG GLN A 11 7.400 -16.175 -1.501 1.00 14.00 C ATOM 162 CD GLN A 11 5.947 -15.812 -1.801 1.00 75.42 C ATOM 163 OE1 GLN A 11 5.507 -15.860 -2.949 1.00 33.23 O ATOM 164 NE2 GLN A 11 5.179 -15.403 -0.806 1.00 74.44 N ATOM 0 H GLN A 11 9.901 -13.234 -2.729 1.00 51.15 H new ATOM 0 HA GLN A 11 7.147 -13.468 -1.823 1.00 1.31 H new ATOM 0 HB2 GLN A 11 8.323 -15.202 -3.187 1.00 35.23 H new ATOM 0 HB3 GLN A 11 9.412 -15.486 -1.844 1.00 35.23 H new ATOM 0 HG2 GLN A 11 7.610 -17.170 -1.894 1.00 14.00 H new ATOM 0 HG3 GLN A 11 7.542 -16.222 -0.421 1.00 14.00 H new ATOM 0 HE21 GLN A 11 5.551 -15.366 0.143 1.00 74.44 H new ATOM 0 HE22 GLN A 11 4.215 -15.125 -0.987 1.00 74.44 H new ATOM 171 N ALA A 12 9.618 -13.203 0.317 1.00 21.14 N ATOM 172 CA ALA A 12 9.968 -13.150 1.733 1.00 22.13 C ATOM 173 C ALA A 12 9.208 -12.086 2.524 1.00 51.43 C ATOM 174 O ALA A 12 8.951 -12.320 3.704 1.00 23.44 O ATOM 175 CB ALA A 12 11.464 -12.881 1.896 1.00 3.31 C ATOM 0 H ALA A 12 10.374 -12.921 -0.307 1.00 21.14 H new ATOM 0 HA ALA A 12 9.687 -14.123 2.136 1.00 22.13 H new ATOM 0 HB1 ALA A 12 11.714 -12.844 2.956 1.00 3.31 H new ATOM 0 HB2 ALA A 12 12.031 -13.679 1.418 1.00 3.31 H new ATOM 0 HB3 ALA A 12 11.715 -11.928 1.430 1.00 3.31 H new ATOM 181 N ALA A 13 8.919 -10.926 1.918 1.00 55.33 N ATOM 182 CA ALA A 13 8.421 -9.767 2.659 1.00 12.04 C ATOM 183 C ALA A 13 7.146 -10.112 3.420 1.00 14.40 C ATOM 184 O ALA A 13 6.298 -10.828 2.888 1.00 44.35 O ATOM 185 CB ALA A 13 8.126 -8.609 1.705 1.00 13.14 C ATOM 0 H ALA A 13 9.023 -10.769 0.916 1.00 55.33 H new ATOM 0 HA ALA A 13 9.195 -9.474 3.368 1.00 12.04 H new ATOM 0 HB1 ALA A 13 7.756 -7.755 2.273 1.00 13.14 H new ATOM 0 HB2 ALA A 13 9.039 -8.328 1.180 1.00 13.14 H new ATOM 0 HB3 ALA A 13 7.372 -8.917 0.981 1.00 13.14 H new ATOM 191 N THR A 14 6.975 -9.532 4.604 1.00 0.10 N ATOM 192 CA THR A 14 5.841 -9.742 5.490 1.00 24.10 C ATOM 193 C THR A 14 5.063 -8.437 5.655 1.00 0.00 C ATOM 194 O THR A 14 5.518 -7.364 5.246 1.00 11.34 O ATOM 195 CB THR A 14 6.377 -10.292 6.826 1.00 24.14 C ATOM 196 OG1 THR A 14 7.166 -9.314 7.471 1.00 53.12 O ATOM 197 CG2 THR A 14 7.248 -11.539 6.617 1.00 40.14 C ATOM 0 H THR A 14 7.654 -8.874 4.986 1.00 0.10 H new ATOM 0 HA THR A 14 5.141 -10.468 5.076 1.00 24.10 H new ATOM 0 HB THR A 14 5.512 -10.556 7.434 1.00 24.14 H new ATOM 0 HG1 THR A 14 8.023 -9.225 7.004 1.00 53.12 H new ATOM 0 HG21 THR A 14 7.607 -11.898 7.582 1.00 40.14 H new ATOM 0 HG22 THR A 14 6.657 -12.319 6.137 1.00 40.14 H new ATOM 0 HG23 THR A 14 8.099 -11.287 5.984 1.00 40.14 H new ATOM 205 N GLU A 15 3.868 -8.526 6.244 1.00 0.00 N ATOM 206 CA GLU A 15 3.084 -7.365 6.622 1.00 72.21 C ATOM 207 C GLU A 15 3.921 -6.415 7.477 1.00 64.53 C ATOM 208 O GLU A 15 3.806 -5.194 7.383 1.00 53.43 O ATOM 209 CB GLU A 15 1.859 -7.831 7.428 1.00 3.32 C ATOM 210 CG GLU A 15 0.582 -7.092 7.029 1.00 20.34 C ATOM 211 CD GLU A 15 -0.644 -7.556 7.821 1.00 32.22 C ATOM 212 OE1 GLU A 15 -0.529 -7.811 9.044 1.00 73.31 O ATOM 213 OE2 GLU A 15 -1.740 -7.633 7.227 1.00 35.13 O ATOM 0 H GLU A 15 3.421 -9.415 6.470 1.00 0.00 H new ATOM 0 HA GLU A 15 2.765 -6.839 5.722 1.00 72.21 H new ATOM 0 HB2 GLU A 15 1.717 -8.902 7.281 1.00 3.32 H new ATOM 0 HB3 GLU A 15 2.047 -7.678 8.491 1.00 3.32 H new ATOM 0 HG2 GLU A 15 0.724 -6.022 7.182 1.00 20.34 H new ATOM 0 HG3 GLU A 15 0.399 -7.241 5.965 1.00 20.34 H new ATOM 218 N ASP A 16 4.772 -6.994 8.323 1.00 21.54 N ATOM 219 CA ASP A 16 5.590 -6.229 9.237 1.00 44.33 C ATOM 220 C ASP A 16 6.801 -5.589 8.544 1.00 31.24 C ATOM 221 O ASP A 16 7.255 -4.517 8.949 1.00 62.54 O ATOM 222 CB ASP A 16 6.030 -7.108 10.404 1.00 31.11 C ATOM 223 CG ASP A 16 6.748 -6.252 11.438 1.00 11.42 C ATOM 224 OD1 ASP A 16 6.112 -5.292 11.932 1.00 54.24 O ATOM 225 OD2 ASP A 16 7.956 -6.494 11.685 1.00 0.01 O ATOM 0 H ASP A 16 4.907 -8.003 8.387 1.00 21.54 H new ATOM 0 HA ASP A 16 4.981 -5.409 9.617 1.00 44.33 H new ATOM 0 HB2 ASP A 16 5.164 -7.593 10.855 1.00 31.11 H new ATOM 0 HB3 ASP A 16 6.690 -7.899 10.049 1.00 31.11 H new ATOM 229 N ASP A 17 7.301 -6.203 7.468 1.00 43.24 N ATOM 230 CA ASP A 17 8.380 -5.642 6.651 1.00 55.35 C ATOM 231 C ASP A 17 7.916 -4.414 5.884 1.00 14.03 C ATOM 232 O ASP A 17 8.733 -3.545 5.577 1.00 74.32 O ATOM 233 CB ASP A 17 8.900 -6.639 5.617 1.00 60.23 C ATOM 234 CG ASP A 17 10.181 -7.331 6.087 1.00 11.12 C ATOM 235 OD1 ASP A 17 11.214 -6.634 6.288 1.00 1.40 O ATOM 236 OD2 ASP A 17 10.162 -8.567 6.268 1.00 1.33 O ATOM 0 H ASP A 17 6.967 -7.108 7.138 1.00 43.24 H new ATOM 0 HA ASP A 17 9.171 -5.385 7.355 1.00 55.35 H new ATOM 0 HB2 ASP A 17 8.134 -7.389 5.418 1.00 60.23 H new ATOM 0 HB3 ASP A 17 9.091 -6.121 4.677 1.00 60.23 H new ATOM 240 N ILE A 18 6.625 -4.333 5.561 1.00 15.33 N ATOM 241 CA ILE A 18 6.016 -3.060 5.213 1.00 61.53 C ATOM 242 C ILE A 18 6.180 -2.191 6.435 1.00 54.35 C ATOM 243 O ILE A 18 6.950 -1.255 6.368 1.00 40.02 O ATOM 244 CB ILE A 18 4.578 -3.245 4.688 1.00 14.11 C ATOM 245 CG1 ILE A 18 4.690 -3.874 3.288 1.00 33.54 C ATOM 246 CG2 ILE A 18 3.787 -1.927 4.623 1.00 40.24 C ATOM 247 CD1 ILE A 18 3.368 -4.406 2.761 1.00 61.41 C ATOM 0 H ILE A 18 5.989 -5.130 5.535 1.00 15.33 H new ATOM 0 HA ILE A 18 6.497 -2.562 4.371 1.00 61.53 H new ATOM 0 HB ILE A 18 4.025 -3.884 5.376 1.00 14.11 H new ATOM 0 HG12 ILE A 18 5.077 -3.129 2.593 1.00 33.54 H new ATOM 0 HG13 ILE A 18 5.415 -4.688 3.320 1.00 33.54 H new ATOM 0 HG21 ILE A 18 2.783 -2.123 4.246 1.00 40.24 H new ATOM 0 HG22 ILE A 18 3.721 -1.492 5.620 1.00 40.24 H new ATOM 0 HG23 ILE A 18 4.295 -1.230 3.956 1.00 40.24 H new ATOM 0 HD11 ILE A 18 3.518 -4.836 1.771 1.00 61.41 H new ATOM 0 HD12 ILE A 18 2.990 -5.173 3.436 1.00 61.41 H new ATOM 0 HD13 ILE A 18 2.647 -3.591 2.698 1.00 61.41 H new ATOM 258 N ARG A 19 5.536 -2.498 7.553 1.00 11.34 N ATOM 259 CA ARG A 19 5.312 -1.526 8.636 1.00 44.12 C ATOM 260 C ARG A 19 6.584 -0.882 9.172 1.00 64.31 C ATOM 261 O ARG A 19 6.559 0.306 9.497 1.00 75.12 O ATOM 262 CB ARG A 19 4.503 -2.196 9.738 1.00 75.31 C ATOM 263 CG ARG A 19 3.052 -2.279 9.245 1.00 61.33 C ATOM 264 CD ARG A 19 2.388 -3.565 9.691 1.00 0.22 C ATOM 265 NE ARG A 19 1.764 -3.448 11.014 1.00 63.23 N ATOM 266 CZ ARG A 19 2.194 -3.949 12.174 1.00 14.40 C ATOM 267 NH1 ARG A 19 3.408 -4.467 12.331 1.00 53.31 N ATOM 268 NH2 ARG A 19 1.383 -3.936 13.224 1.00 43.31 N ATOM 0 H ARG A 19 5.152 -3.423 7.743 1.00 11.34 H new ATOM 0 HA ARG A 19 4.750 -0.691 8.217 1.00 44.12 H new ATOM 0 HB2 ARG A 19 4.894 -3.190 9.953 1.00 75.31 H new ATOM 0 HB3 ARG A 19 4.563 -1.623 10.663 1.00 75.31 H new ATOM 0 HG2 ARG A 19 2.488 -1.427 9.624 1.00 61.33 H new ATOM 0 HG3 ARG A 19 3.032 -2.216 8.157 1.00 61.33 H new ATOM 0 HD2 ARG A 19 1.631 -3.851 8.960 1.00 0.22 H new ATOM 0 HD3 ARG A 19 3.129 -4.364 9.712 1.00 0.22 H new ATOM 0 HE ARG A 19 0.893 -2.918 11.052 1.00 63.23 H new ATOM 0 HH11 ARG A 19 4.057 -4.494 11.544 1.00 53.31 H new ATOM 0 HH12 ARG A 19 3.691 -4.838 13.238 1.00 53.31 H new ATOM 0 HH21 ARG A 19 0.444 -3.547 13.138 1.00 43.31 H new ATOM 0 HH22 ARG A 19 1.698 -4.316 14.117 1.00 43.31 H new ATOM 279 N GLY A 20 7.699 -1.600 9.199 1.00 53.13 N ATOM 280 CA GLY A 20 8.970 -1.025 9.608 1.00 32.34 C ATOM 281 C GLY A 20 9.432 0.131 8.708 1.00 34.11 C ATOM 282 O GLY A 20 10.041 1.082 9.198 1.00 44.02 O ATOM 0 H GLY A 20 7.747 -2.586 8.941 1.00 53.13 H new ATOM 0 HA2 GLY A 20 8.885 -0.666 10.634 1.00 32.34 H new ATOM 0 HA3 GLY A 20 9.731 -1.805 9.605 1.00 32.34 H new ATOM 286 N GLN A 21 9.085 0.118 7.416 1.00 40.44 N ATOM 287 CA GLN A 21 9.427 1.155 6.443 1.00 11.24 C ATOM 288 C GLN A 21 8.684 2.460 6.717 1.00 65.15 C ATOM 289 O GLN A 21 9.035 3.504 6.175 1.00 44.41 O ATOM 290 CB GLN A 21 9.070 0.678 5.022 1.00 21.31 C ATOM 291 CG GLN A 21 10.045 -0.363 4.454 1.00 1.30 C ATOM 292 CD GLN A 21 10.594 0.091 3.115 1.00 31.24 C ATOM 293 OE1 GLN A 21 10.362 -0.559 2.106 1.00 35.24 O ATOM 294 NE2 GLN A 21 11.256 1.234 3.076 1.00 23.53 N ATOM 0 H GLN A 21 8.540 -0.642 7.008 1.00 40.44 H new ATOM 0 HA GLN A 21 10.498 1.339 6.530 1.00 11.24 H new ATOM 0 HB2 GLN A 21 8.066 0.254 5.033 1.00 21.31 H new ATOM 0 HB3 GLN A 21 9.045 1.540 4.355 1.00 21.31 H new ATOM 0 HG2 GLN A 21 10.865 -0.521 5.154 1.00 1.30 H new ATOM 0 HG3 GLN A 21 9.536 -1.320 4.338 1.00 1.30 H new ATOM 0 HE21 GLN A 21 11.432 1.751 3.937 1.00 23.53 H new ATOM 0 HE22 GLN A 21 11.591 1.599 2.184 1.00 23.53 H new ATOM 301 N LEU A 22 7.600 2.411 7.479 1.00 65.31 N ATOM 302 CA LEU A 22 6.682 3.529 7.608 1.00 51.04 C ATOM 303 C LEU A 22 7.246 4.393 8.707 1.00 45.15 C ATOM 304 O LEU A 22 7.405 5.598 8.530 1.00 72.12 O ATOM 305 CB LEU A 22 5.273 3.013 7.915 1.00 2.31 C ATOM 306 CG LEU A 22 4.636 2.301 6.711 1.00 70.22 C ATOM 307 CD1 LEU A 22 3.902 3.262 5.780 1.00 2.42 C ATOM 308 CD2 LEU A 22 5.436 1.208 6.082 1.00 34.24 C ATOM 0 H LEU A 22 7.334 1.592 8.025 1.00 65.31 H new ATOM 0 HA LEU A 22 6.588 4.111 6.691 1.00 51.04 H new ATOM 0 HB2 LEU A 22 5.317 2.325 8.759 1.00 2.31 H new ATOM 0 HB3 LEU A 22 4.641 3.848 8.216 1.00 2.31 H new ATOM 0 HG LEU A 22 3.839 1.688 7.132 1.00 70.22 H new ATOM 0 HD11 LEU A 22 3.472 2.705 4.948 1.00 2.42 H new ATOM 0 HD12 LEU A 22 3.106 3.765 6.330 1.00 2.42 H new ATOM 0 HD13 LEU A 22 4.603 4.004 5.397 1.00 2.42 H new ATOM 0 HD21 LEU A 22 4.880 0.785 5.245 1.00 34.24 H new ATOM 0 HD22 LEU A 22 6.383 1.611 5.722 1.00 34.24 H new ATOM 0 HD23 LEU A 22 5.630 0.429 6.819 1.00 34.24 H new ATOM 319 N GLN A 23 7.675 3.747 9.787 1.00 1.01 N ATOM 320 CA GLN A 23 8.466 4.398 10.818 1.00 70.51 C ATOM 321 C GLN A 23 9.715 5.088 10.298 1.00 64.45 C ATOM 322 O GLN A 23 9.987 6.213 10.726 1.00 71.55 O ATOM 323 CB GLN A 23 8.796 3.454 11.962 1.00 23.40 C ATOM 324 CG GLN A 23 7.824 3.778 13.097 1.00 61.53 C ATOM 325 CD GLN A 23 6.536 2.972 13.023 1.00 21.24 C ATOM 326 OE1 GLN A 23 6.494 1.805 13.397 1.00 32.23 O ATOM 327 NE2 GLN A 23 5.470 3.543 12.491 1.00 42.32 N ATOM 0 H GLN A 23 7.484 2.762 9.969 1.00 1.01 H new ATOM 0 HA GLN A 23 7.826 5.192 11.204 1.00 70.51 H new ATOM 0 HB2 GLN A 23 8.692 2.415 11.648 1.00 23.40 H new ATOM 0 HB3 GLN A 23 9.828 3.587 12.287 1.00 23.40 H new ATOM 0 HG2 GLN A 23 8.312 3.586 14.052 1.00 61.53 H new ATOM 0 HG3 GLN A 23 7.583 4.841 13.070 1.00 61.53 H new ATOM 0 HE21 GLN A 23 5.512 4.514 12.182 1.00 42.32 H new ATOM 0 HE22 GLN A 23 4.605 3.013 12.389 1.00 42.32 H new ATOM 334 N SER A 24 10.422 4.489 9.343 1.00 25.13 N ATOM 335 CA SER A 24 11.589 5.093 8.715 1.00 4.32 C ATOM 336 C SER A 24 11.281 6.469 8.112 1.00 53.21 C ATOM 337 O SER A 24 12.168 7.317 8.004 1.00 23.55 O ATOM 338 CB SER A 24 12.051 4.134 7.632 1.00 64.34 C ATOM 339 OG SER A 24 12.410 2.891 8.206 1.00 70.31 O ATOM 0 H SER A 24 10.197 3.562 8.982 1.00 25.13 H new ATOM 0 HA SER A 24 12.363 5.258 9.464 1.00 4.32 H new ATOM 0 HB2 SER A 24 11.257 3.990 6.900 1.00 64.34 H new ATOM 0 HB3 SER A 24 12.903 4.557 7.099 1.00 64.34 H new ATOM 0 HG SER A 24 11.604 2.352 8.349 1.00 70.31 H new ATOM 344 N HIS A 25 10.016 6.722 7.763 1.00 63.11 N ATOM 345 CA HIS A 25 9.562 7.975 7.194 1.00 12.11 C ATOM 346 C HIS A 25 8.625 8.763 8.127 1.00 23.43 C ATOM 347 O HIS A 25 8.232 9.880 7.787 1.00 61.13 O ATOM 348 CB HIS A 25 8.943 7.680 5.826 1.00 13.33 C ATOM 349 CG HIS A 25 9.860 7.023 4.835 1.00 11.05 C ATOM 350 ND1 HIS A 25 11.022 7.554 4.326 1.00 24.31 N ATOM 351 CD2 HIS A 25 9.653 5.814 4.238 1.00 30.24 C ATOM 352 CE1 HIS A 25 11.526 6.660 3.459 1.00 10.35 C ATOM 353 NE2 HIS A 25 10.706 5.598 3.352 1.00 41.25 N ATOM 0 H HIS A 25 9.268 6.038 7.875 1.00 63.11 H new ATOM 0 HA HIS A 25 10.416 8.640 7.066 1.00 12.11 H new ATOM 0 HB2 HIS A 25 8.072 7.040 5.970 1.00 13.33 H new ATOM 0 HB3 HIS A 25 8.584 8.616 5.399 1.00 13.33 H new ATOM 0 HD2 HIS A 25 8.824 5.146 4.419 1.00 30.24 H new ATOM 0 HE1 HIS A 25 12.457 6.777 2.924 1.00 10.35 H new ATOM 0 HE2 HIS A 25 10.831 4.791 2.741 1.00 41.25 H new ATOM 360 N GLY A 26 8.307 8.262 9.324 1.00 12.33 N ATOM 361 CA GLY A 26 7.442 8.939 10.291 1.00 32.52 C ATOM 362 C GLY A 26 5.954 8.760 9.985 1.00 72.41 C ATOM 363 O GLY A 26 5.155 9.681 10.170 1.00 42.20 O ATOM 0 H GLY A 26 8.650 7.359 9.653 1.00 12.33 H new ATOM 0 HA2 GLY A 26 7.651 8.555 11.289 1.00 32.52 H new ATOM 0 HA3 GLY A 26 7.680 10.003 10.302 1.00 32.52 H new ATOM 367 N VAL A 27 5.560 7.582 9.505 1.00 41.21 N ATOM 368 CA VAL A 27 4.207 7.290 9.033 1.00 23.41 C ATOM 369 C VAL A 27 3.711 6.057 9.800 1.00 23.43 C ATOM 370 O VAL A 27 4.520 5.290 10.333 1.00 74.23 O ATOM 371 CB VAL A 27 4.227 7.028 7.507 1.00 54.24 C ATOM 372 CG1 VAL A 27 2.881 7.359 6.855 1.00 5.12 C ATOM 373 CG2 VAL A 27 5.334 7.770 6.758 1.00 53.13 C ATOM 0 H VAL A 27 6.189 6.783 9.431 1.00 41.21 H new ATOM 0 HA VAL A 27 3.538 8.132 9.210 1.00 23.41 H new ATOM 0 HB VAL A 27 4.432 5.961 7.421 1.00 54.24 H new ATOM 0 HG11 VAL A 27 2.937 7.162 5.784 1.00 5.12 H new ATOM 0 HG12 VAL A 27 2.100 6.740 7.298 1.00 5.12 H new ATOM 0 HG13 VAL A 27 2.647 8.411 7.018 1.00 5.12 H new ATOM 0 HG21 VAL A 27 5.278 7.532 5.696 1.00 53.13 H new ATOM 0 HG22 VAL A 27 5.210 8.844 6.896 1.00 53.13 H new ATOM 0 HG23 VAL A 27 6.305 7.464 7.147 1.00 53.13 H new ATOM 383 N GLN A 28 2.400 5.816 9.812 1.00 45.12 N ATOM 384 CA GLN A 28 1.826 4.506 10.095 1.00 34.30 C ATOM 385 C GLN A 28 1.360 3.934 8.754 1.00 31.14 C ATOM 386 O GLN A 28 0.831 4.693 7.935 1.00 12.21 O ATOM 387 CB GLN A 28 0.668 4.623 11.114 1.00 41.24 C ATOM 388 CG GLN A 28 -0.583 5.323 10.548 1.00 62.22 C ATOM 389 CD GLN A 28 -1.701 5.502 11.576 1.00 71.15 C ATOM 390 OE1 GLN A 28 -2.296 4.540 12.052 1.00 62.45 O ATOM 391 NE2 GLN A 28 -2.036 6.735 11.915 1.00 42.04 N ATOM 0 H GLN A 28 1.701 6.535 9.623 1.00 45.12 H new ATOM 0 HA GLN A 28 2.558 3.840 10.552 1.00 34.30 H new ATOM 0 HB2 GLN A 28 0.393 3.625 11.455 1.00 41.24 H new ATOM 0 HB3 GLN A 28 1.018 5.173 11.988 1.00 41.24 H new ATOM 0 HG2 GLN A 28 -0.298 6.301 10.160 1.00 62.22 H new ATOM 0 HG3 GLN A 28 -0.964 4.744 9.706 1.00 62.22 H new ATOM 0 HE21 GLN A 28 -1.535 7.528 11.514 1.00 42.04 H new ATOM 0 HE22 GLN A 28 -2.795 6.893 12.578 1.00 42.04 H new ATOM 398 N ALA A 29 1.506 2.626 8.540 1.00 25.22 N ATOM 399 CA ALA A 29 0.656 1.860 7.686 1.00 41.34 C ATOM 400 C ALA A 29 -0.577 1.440 8.486 1.00 43.32 C ATOM 401 O ALA A 29 -0.541 0.449 9.218 1.00 12.32 O ATOM 402 CB ALA A 29 1.356 0.673 7.030 1.00 10.04 C ATOM 0 H ALA A 29 2.244 2.074 8.977 1.00 25.22 H new ATOM 0 HA ALA A 29 0.356 2.487 6.846 1.00 41.34 H new ATOM 0 HB1 ALA A 29 0.649 0.138 6.396 1.00 10.04 H new ATOM 0 HB2 ALA A 29 2.188 1.031 6.424 1.00 10.04 H new ATOM 0 HB3 ALA A 29 1.732 0.001 7.801 1.00 10.04 H new ATOM 408 N ARG A 30 -1.636 2.245 8.412 1.00 22.11 N ATOM 409 CA ARG A 30 -2.851 2.066 9.205 1.00 42.11 C ATOM 410 C ARG A 30 -3.645 0.838 8.764 1.00 22.33 C ATOM 411 O ARG A 30 -4.385 0.278 9.571 1.00 64.21 O ATOM 412 CB ARG A 30 -3.688 3.347 9.116 1.00 13.13 C ATOM 413 CG ARG A 30 -4.901 3.376 10.067 1.00 74.23 C ATOM 414 CD ARG A 30 -6.160 3.291 9.208 1.00 11.02 C ATOM 415 NE ARG A 30 -7.417 3.210 9.962 1.00 2.32 N ATOM 416 CZ ARG A 30 -8.578 2.833 9.415 1.00 72.32 C ATOM 417 NH1 ARG A 30 -8.622 2.496 8.135 1.00 1.32 N ATOM 418 NH2 ARG A 30 -9.672 2.720 10.146 1.00 22.32 N ATOM 0 H ARG A 30 -1.674 3.052 7.790 1.00 22.11 H new ATOM 0 HA ARG A 30 -2.577 1.886 10.244 1.00 42.11 H new ATOM 0 HB2 ARG A 30 -3.048 4.202 9.335 1.00 13.13 H new ATOM 0 HB3 ARG A 30 -4.041 3.467 8.092 1.00 13.13 H new ATOM 0 HG2 ARG A 30 -4.858 2.543 10.768 1.00 74.23 H new ATOM 0 HG3 ARG A 30 -4.902 4.291 10.659 1.00 74.23 H new ATOM 0 HD2 ARG A 30 -6.199 4.165 8.558 1.00 11.02 H new ATOM 0 HD3 ARG A 30 -6.083 2.416 8.562 1.00 11.02 H new ATOM 0 HE ARG A 30 -7.404 3.453 10.952 1.00 2.32 H new ATOM 0 HH11 ARG A 30 -7.773 2.525 7.571 1.00 1.32 H new ATOM 0 HH12 ARG A 30 -9.505 2.208 7.714 1.00 1.32 H new ATOM 0 HH21 ARG A 30 -9.641 2.922 11.145 1.00 22.32 H new ATOM 0 HH22 ARG A 30 -10.548 2.431 9.711 1.00 22.32 H new ATOM 429 N GLU A 31 -3.531 0.415 7.511 1.00 62.25 N ATOM 430 CA GLU A 31 -4.000 -0.887 7.067 1.00 63.45 C ATOM 431 C GLU A 31 -3.008 -1.413 6.036 1.00 23.42 C ATOM 432 O GLU A 31 -2.445 -0.640 5.259 1.00 2.21 O ATOM 433 CB GLU A 31 -5.412 -0.778 6.474 1.00 42.23 C ATOM 434 CG GLU A 31 -6.130 -2.138 6.444 1.00 61.51 C ATOM 435 CD GLU A 31 -7.581 -2.104 5.939 1.00 24.23 C ATOM 436 OE1 GLU A 31 -8.230 -1.034 5.933 1.00 60.31 O ATOM 437 OE2 GLU A 31 -8.112 -3.183 5.589 1.00 55.42 O ATOM 0 H GLU A 31 -3.106 0.973 6.770 1.00 62.25 H new ATOM 0 HA GLU A 31 -4.060 -1.578 7.908 1.00 63.45 H new ATOM 0 HB2 GLU A 31 -5.998 -0.071 7.061 1.00 42.23 H new ATOM 0 HB3 GLU A 31 -5.350 -0.378 5.462 1.00 42.23 H new ATOM 0 HG2 GLU A 31 -5.559 -2.818 5.812 1.00 61.51 H new ATOM 0 HG3 GLU A 31 -6.123 -2.556 7.451 1.00 61.51 H new ATOM 442 N VAL A 32 -2.841 -2.731 5.998 1.00 54.33 N ATOM 443 CA VAL A 32 -1.960 -3.463 5.097 1.00 21.53 C ATOM 444 C VAL A 32 -2.666 -4.765 4.711 1.00 3.02 C ATOM 445 O VAL A 32 -3.317 -5.407 5.532 1.00 14.21 O ATOM 446 CB VAL A 32 -0.597 -3.743 5.772 1.00 52.33 C ATOM 447 CG1 VAL A 32 0.367 -4.467 4.819 1.00 40.31 C ATOM 448 CG2 VAL A 32 0.113 -2.472 6.242 1.00 63.45 C ATOM 0 H VAL A 32 -3.346 -3.351 6.631 1.00 54.33 H new ATOM 0 HA VAL A 32 -1.755 -2.874 4.203 1.00 21.53 H new ATOM 0 HB VAL A 32 -0.839 -4.365 6.634 1.00 52.33 H new ATOM 0 HG11 VAL A 32 1.314 -4.647 5.327 1.00 40.31 H new ATOM 0 HG12 VAL A 32 -0.068 -5.419 4.515 1.00 40.31 H new ATOM 0 HG13 VAL A 32 0.540 -3.849 3.938 1.00 40.31 H new ATOM 0 HG21 VAL A 32 1.063 -2.736 6.707 1.00 63.45 H new ATOM 0 HG22 VAL A 32 0.296 -1.820 5.388 1.00 63.45 H new ATOM 0 HG23 VAL A 32 -0.513 -1.952 6.967 1.00 63.45 H new ATOM 458 N ARG A 33 -2.525 -5.163 3.449 1.00 71.11 N ATOM 459 CA ARG A 33 -3.134 -6.330 2.807 1.00 63.25 C ATOM 460 C ARG A 33 -1.996 -7.016 2.035 1.00 12.00 C ATOM 461 O ARG A 33 -1.963 -6.998 0.799 1.00 15.32 O ATOM 462 CB ARG A 33 -4.386 -5.801 2.053 1.00 42.13 C ATOM 463 CG ARG A 33 -5.606 -5.685 3.010 1.00 1.21 C ATOM 464 CD ARG A 33 -6.637 -4.576 2.730 1.00 72.03 C ATOM 465 NE ARG A 33 -7.404 -4.741 1.481 1.00 32.32 N ATOM 466 CZ ARG A 33 -8.516 -5.470 1.293 1.00 31.41 C ATOM 467 NH1 ARG A 33 -8.989 -6.305 2.221 1.00 41.11 N ATOM 468 NH2 ARG A 33 -9.149 -5.349 0.131 1.00 44.14 N ATOM 0 H ARG A 33 -1.939 -4.641 2.798 1.00 71.11 H new ATOM 0 HA ARG A 33 -3.537 -7.123 3.437 1.00 63.25 H new ATOM 0 HB2 ARG A 33 -4.167 -4.826 1.617 1.00 42.13 H new ATOM 0 HB3 ARG A 33 -4.629 -6.472 1.229 1.00 42.13 H new ATOM 0 HG2 ARG A 33 -6.131 -6.640 3.000 1.00 1.21 H new ATOM 0 HG3 ARG A 33 -5.226 -5.541 4.021 1.00 1.21 H new ATOM 0 HD2 ARG A 33 -7.336 -4.531 3.565 1.00 72.03 H new ATOM 0 HD3 ARG A 33 -6.118 -3.618 2.697 1.00 72.03 H new ATOM 0 HE ARG A 33 -7.048 -4.243 0.665 1.00 32.32 H new ATOM 0 HH11 ARG A 33 -8.502 -6.407 3.111 1.00 41.11 H new ATOM 0 HH12 ARG A 33 -9.837 -6.841 2.040 1.00 41.11 H new ATOM 0 HH21 ARG A 33 -8.787 -4.718 -0.584 1.00 44.14 H new ATOM 0 HH22 ARG A 33 -9.997 -5.888 -0.046 1.00 44.14 H new ATOM 479 N LEU A 34 -1.016 -7.559 2.782 1.00 32.13 N ATOM 480 CA LEU A 34 0.190 -8.268 2.327 1.00 35.10 C ATOM 481 C LEU A 34 -0.003 -9.767 2.604 1.00 64.51 C ATOM 482 O LEU A 34 -1.023 -10.161 3.161 1.00 61.11 O ATOM 483 CB LEU A 34 1.401 -7.686 3.095 1.00 23.13 C ATOM 484 CG LEU A 34 2.852 -7.986 2.650 1.00 40.15 C ATOM 485 CD1 LEU A 34 3.413 -9.322 3.116 1.00 22.43 C ATOM 486 CD2 LEU A 34 3.119 -7.924 1.142 1.00 60.14 C ATOM 0 H LEU A 34 -1.052 -7.508 3.800 1.00 32.13 H new ATOM 0 HA LEU A 34 0.366 -8.141 1.259 1.00 35.10 H new ATOM 0 HB2 LEU A 34 1.286 -6.602 3.096 1.00 23.13 H new ATOM 0 HB3 LEU A 34 1.311 -8.017 4.130 1.00 23.13 H new ATOM 0 HG LEU A 34 3.359 -7.161 3.150 1.00 40.15 H new ATOM 0 HD11 LEU A 34 4.434 -9.435 2.751 1.00 22.43 H new ATOM 0 HD12 LEU A 34 3.411 -9.358 4.205 1.00 22.43 H new ATOM 0 HD13 LEU A 34 2.797 -10.132 2.725 1.00 22.43 H new ATOM 0 HD21 LEU A 34 4.167 -8.151 0.948 1.00 60.14 H new ATOM 0 HD22 LEU A 34 2.489 -8.652 0.631 1.00 60.14 H new ATOM 0 HD23 LEU A 34 2.890 -6.924 0.773 1.00 60.14 H new ATOM 497 N MET A 35 0.956 -10.618 2.224 1.00 55.32 N ATOM 498 CA MET A 35 1.019 -12.029 2.611 1.00 21.50 C ATOM 499 C MET A 35 0.846 -12.266 4.114 1.00 3.10 C ATOM 500 O MET A 35 0.798 -11.340 4.918 1.00 0.33 O ATOM 501 CB MET A 35 2.298 -12.741 2.083 1.00 42.02 C ATOM 502 CG MET A 35 3.628 -12.564 2.820 1.00 2.00 C ATOM 503 SD MET A 35 4.753 -13.990 2.930 1.00 13.42 S ATOM 504 CE MET A 35 3.720 -15.344 3.522 1.00 11.13 C ATOM 0 H MET A 35 1.730 -10.335 1.623 1.00 55.32 H new ATOM 0 HA MET A 35 0.157 -12.483 2.122 1.00 21.50 H new ATOM 0 HB2 MET A 35 2.085 -13.809 2.050 1.00 42.02 H new ATOM 0 HB3 MET A 35 2.451 -12.414 1.054 1.00 42.02 H new ATOM 0 HG2 MET A 35 4.169 -11.751 2.337 1.00 2.00 H new ATOM 0 HG3 MET A 35 3.404 -12.239 3.836 1.00 2.00 H new ATOM 0 HE1 MET A 35 4.354 -16.160 3.869 1.00 11.13 H new ATOM 0 HE2 MET A 35 3.097 -14.993 4.345 1.00 11.13 H new ATOM 0 HE3 MET A 35 3.084 -15.698 2.711 1.00 11.13 H new ATOM 512 N ARG A 36 0.872 -13.548 4.489 1.00 14.41 N ATOM 513 CA ARG A 36 0.722 -14.110 5.835 1.00 71.53 C ATOM 514 C ARG A 36 -0.724 -14.127 6.299 1.00 63.24 C ATOM 515 O ARG A 36 -1.015 -14.834 7.258 1.00 12.14 O ATOM 516 CB ARG A 36 1.561 -13.377 6.908 1.00 51.44 C ATOM 517 CG ARG A 36 2.937 -12.851 6.459 1.00 31.12 C ATOM 518 CD ARG A 36 4.114 -13.430 7.219 1.00 32.44 C ATOM 519 NE ARG A 36 3.981 -13.287 8.674 1.00 24.42 N ATOM 520 CZ ARG A 36 4.847 -13.668 9.616 1.00 3.01 C ATOM 521 NH1 ARG A 36 5.951 -14.337 9.308 1.00 71.25 N ATOM 522 NH2 ARG A 36 4.578 -13.355 10.875 1.00 54.32 N ATOM 0 H ARG A 36 1.011 -14.285 3.797 1.00 14.41 H new ATOM 0 HA ARG A 36 1.093 -15.130 5.737 1.00 71.53 H new ATOM 0 HB2 ARG A 36 0.978 -12.535 7.281 1.00 51.44 H new ATOM 0 HB3 ARG A 36 1.712 -14.056 7.747 1.00 51.44 H new ATOM 0 HG2 ARG A 36 3.065 -13.067 5.398 1.00 31.12 H new ATOM 0 HG3 ARG A 36 2.950 -11.766 6.568 1.00 31.12 H new ATOM 0 HD2 ARG A 36 4.216 -14.486 6.971 1.00 32.44 H new ATOM 0 HD3 ARG A 36 5.029 -12.936 6.893 1.00 32.44 H new ATOM 0 HE ARG A 36 3.124 -12.843 9.005 1.00 24.42 H new ATOM 0 HH11 ARG A 36 6.152 -14.570 8.335 1.00 71.25 H new ATOM 0 HH12 ARG A 36 6.599 -14.618 10.044 1.00 71.25 H new ATOM 0 HH21 ARG A 36 3.729 -12.837 11.102 1.00 54.32 H new ATOM 0 HH22 ARG A 36 5.220 -13.632 11.618 1.00 54.32 H new ATOM 533 N ASN A 37 -1.646 -13.440 5.623 1.00 2.22 N ATOM 534 CA ASN A 37 -2.982 -13.263 6.158 1.00 22.14 C ATOM 535 C ASN A 37 -3.847 -14.476 5.921 1.00 51.22 C ATOM 536 O ASN A 37 -4.444 -15.024 6.841 1.00 3.11 O ATOM 537 CB ASN A 37 -3.621 -12.025 5.535 1.00 52.03 C ATOM 538 CG ASN A 37 -4.008 -11.116 6.682 1.00 60.45 C ATOM 539 OD1 ASN A 37 -5.264 -11.151 7.063 1.00 20.30 O flip ATOM 540 ND2 ASN A 37 -3.172 -10.476 7.302 1.00 13.30 N flip ATOM 0 H ASN A 37 -1.488 -13.004 4.714 1.00 2.22 H new ATOM 0 HA ASN A 37 -2.900 -13.130 7.237 1.00 22.14 H new ATOM 0 HB2 ASN A 37 -2.923 -11.525 4.863 1.00 52.03 H new ATOM 0 HB3 ASN A 37 -4.495 -12.296 4.943 1.00 52.03 H new ATOM 0 HD21 ASN A 37 -2.202 -10.464 6.987 1.00 13.30 H new ATOM 0 HD22 ASN A 37 -3.444 -9.954 8.135 1.00 13.30 H new ATOM 546 N LYS A 38 -3.887 -14.895 4.660 1.00 44.25 N ATOM 547 CA LYS A 38 -4.553 -16.076 4.146 1.00 73.31 C ATOM 548 C LYS A 38 -6.078 -16.099 4.247 1.00 33.43 C ATOM 549 O LYS A 38 -6.692 -16.362 3.221 1.00 64.45 O ATOM 550 CB LYS A 38 -3.906 -17.344 4.731 1.00 40.34 C ATOM 551 CG LYS A 38 -3.730 -18.364 3.610 1.00 61.22 C ATOM 552 CD LYS A 38 -2.508 -18.038 2.744 1.00 1.04 C ATOM 553 CE LYS A 38 -2.609 -18.725 1.369 1.00 53.44 C ATOM 554 NZ LYS A 38 -2.923 -20.175 1.442 1.00 2.20 N ATOM 0 H LYS A 38 -3.418 -14.375 3.919 1.00 44.25 H new ATOM 0 HA LYS A 38 -4.394 -16.043 3.068 1.00 73.31 H new ATOM 0 HB2 LYS A 38 -2.942 -17.104 5.179 1.00 40.34 H new ATOM 0 HB3 LYS A 38 -4.531 -17.757 5.523 1.00 40.34 H new ATOM 0 HG2 LYS A 38 -3.620 -19.361 4.037 1.00 61.22 H new ATOM 0 HG3 LYS A 38 -4.625 -18.381 2.988 1.00 61.22 H new ATOM 0 HD2 LYS A 38 -2.429 -16.959 2.611 1.00 1.04 H new ATOM 0 HD3 LYS A 38 -1.600 -18.364 3.252 1.00 1.04 H new ATOM 0 HE2 LYS A 38 -3.379 -18.226 0.780 1.00 53.44 H new ATOM 0 HE3 LYS A 38 -1.666 -18.594 0.838 1.00 53.44 H new ATOM 0 HZ1 LYS A 38 -2.858 -20.593 0.492 1.00 2.20 H new ATOM 0 HZ2 LYS A 38 -2.244 -20.646 2.074 1.00 2.20 H new ATOM 0 HZ3 LYS A 38 -3.887 -20.303 1.811 1.00 2.20 H new ATOM 564 N SER A 39 -6.695 -15.788 5.388 1.00 74.34 N ATOM 565 CA SER A 39 -8.145 -15.758 5.518 1.00 63.03 C ATOM 566 C SER A 39 -8.679 -14.695 4.558 1.00 33.41 C ATOM 567 O SER A 39 -9.418 -15.025 3.631 1.00 22.21 O ATOM 568 CB SER A 39 -8.518 -15.541 6.991 1.00 53.45 C ATOM 569 OG SER A 39 -9.871 -15.162 7.149 1.00 54.43 O ATOM 0 H SER A 39 -6.199 -15.550 6.247 1.00 74.34 H new ATOM 0 HA SER A 39 -8.612 -16.702 5.238 1.00 63.03 H new ATOM 0 HB2 SER A 39 -8.332 -16.458 7.550 1.00 53.45 H new ATOM 0 HB3 SER A 39 -7.875 -14.771 7.417 1.00 53.45 H new ATOM 0 HG SER A 39 -10.066 -15.036 8.101 1.00 54.43 H new ATOM 574 N SER A 40 -8.252 -13.439 4.718 1.00 32.43 N ATOM 575 CA SER A 40 -8.650 -12.353 3.836 1.00 44.42 C ATOM 576 C SER A 40 -8.183 -12.561 2.393 1.00 72.44 C ATOM 577 O SER A 40 -8.774 -12.000 1.474 1.00 34.42 O ATOM 578 CB SER A 40 -8.153 -11.032 4.420 1.00 44.25 C ATOM 579 OG SER A 40 -6.755 -11.013 4.618 1.00 2.32 O ATOM 0 H SER A 40 -7.620 -13.153 5.466 1.00 32.43 H new ATOM 0 HA SER A 40 -9.738 -12.332 3.780 1.00 44.42 H new ATOM 0 HB2 SER A 40 -8.432 -10.217 3.752 1.00 44.25 H new ATOM 0 HB3 SER A 40 -8.653 -10.850 5.371 1.00 44.25 H new ATOM 0 HG SER A 40 -6.559 -11.075 5.576 1.00 2.32 H new ATOM 584 N GLY A 41 -7.149 -13.380 2.165 1.00 2.13 N ATOM 585 CA GLY A 41 -6.890 -13.948 0.848 1.00 62.04 C ATOM 586 C GLY A 41 -5.808 -13.192 0.099 1.00 54.42 C ATOM 587 O GLY A 41 -5.730 -13.272 -1.120 1.00 62.35 O ATOM 0 H GLY A 41 -6.480 -13.661 2.881 1.00 2.13 H new ATOM 0 HA2 GLY A 41 -6.593 -14.991 0.956 1.00 62.04 H new ATOM 0 HA3 GLY A 41 -7.809 -13.937 0.263 1.00 62.04 H new ATOM 591 N GLN A 42 -5.014 -12.420 0.846 1.00 42.53 N ATOM 592 CA GLN A 42 -3.849 -11.668 0.398 1.00 75.42 C ATOM 593 C GLN A 42 -2.754 -12.555 -0.233 1.00 44.42 C ATOM 594 O GLN A 42 -2.960 -13.744 -0.495 1.00 31.53 O ATOM 595 CB GLN A 42 -3.315 -10.889 1.611 1.00 42.13 C ATOM 596 CG GLN A 42 -4.357 -10.192 2.489 1.00 61.42 C ATOM 597 CD GLN A 42 -5.298 -9.279 1.706 1.00 24.01 C ATOM 598 OE1 GLN A 42 -4.984 -8.789 0.621 1.00 14.41 O ATOM 599 NE2 GLN A 42 -6.477 -9.031 2.238 1.00 4.54 N ATOM 0 H GLN A 42 -5.183 -12.299 1.845 1.00 42.53 H new ATOM 0 HA GLN A 42 -4.148 -10.990 -0.401 1.00 75.42 H new ATOM 0 HB2 GLN A 42 -2.748 -11.579 2.237 1.00 42.13 H new ATOM 0 HB3 GLN A 42 -2.614 -10.136 1.251 1.00 42.13 H new ATOM 0 HG2 GLN A 42 -4.946 -10.947 3.010 1.00 61.42 H new ATOM 0 HG3 GLN A 42 -3.845 -9.605 3.251 1.00 61.42 H new ATOM 0 HE21 GLN A 42 -6.727 -9.442 3.137 1.00 4.54 H new ATOM 0 HE22 GLN A 42 -7.140 -8.428 1.751 1.00 4.54 H new ATOM 606 N SER A 43 -1.530 -12.030 -0.347 1.00 12.41 N ATOM 607 CA SER A 43 -0.308 -12.595 -0.901 1.00 42.14 C ATOM 608 C SER A 43 -0.214 -12.659 -2.435 1.00 15.04 C ATOM 609 O SER A 43 0.185 -13.652 -3.029 1.00 22.14 O ATOM 610 CB SER A 43 0.050 -13.914 -0.180 1.00 11.23 C ATOM 611 OG SER A 43 -0.787 -14.345 0.875 1.00 3.02 O ATOM 0 H SER A 43 -1.359 -11.083 -0.010 1.00 12.41 H new ATOM 0 HA SER A 43 0.475 -11.868 -0.686 1.00 42.14 H new ATOM 0 HB2 SER A 43 0.078 -14.706 -0.928 1.00 11.23 H new ATOM 0 HB3 SER A 43 1.061 -13.814 0.216 1.00 11.23 H new ATOM 0 HG SER A 43 -1.666 -14.589 0.516 1.00 3.02 H new ATOM 616 N ARG A 44 -0.495 -11.522 -3.093 1.00 12.01 N ATOM 617 CA ARG A 44 -0.489 -11.394 -4.556 1.00 13.12 C ATOM 618 C ARG A 44 0.844 -10.911 -5.182 1.00 2.33 C ATOM 619 O ARG A 44 0.839 -10.489 -6.346 1.00 1.12 O ATOM 620 CB ARG A 44 -1.696 -10.524 -4.954 1.00 55.43 C ATOM 621 CG ARG A 44 -2.996 -11.335 -5.091 1.00 73.43 C ATOM 622 CD ARG A 44 -2.990 -12.231 -6.341 1.00 31.02 C ATOM 623 NE ARG A 44 -4.322 -12.757 -6.675 1.00 60.44 N ATOM 624 CZ ARG A 44 -4.598 -13.613 -7.668 1.00 53.24 C ATOM 625 NH1 ARG A 44 -3.633 -14.077 -8.458 1.00 53.52 N ATOM 626 NH2 ARG A 44 -5.857 -14.005 -7.854 1.00 24.01 N ATOM 0 H ARG A 44 -0.736 -10.654 -2.614 1.00 12.01 H new ATOM 0 HA ARG A 44 -0.581 -12.394 -4.979 1.00 13.12 H new ATOM 0 HB2 ARG A 44 -1.837 -9.743 -4.207 1.00 55.43 H new ATOM 0 HB3 ARG A 44 -1.483 -10.026 -5.900 1.00 55.43 H new ATOM 0 HG2 ARG A 44 -3.133 -11.953 -4.203 1.00 73.43 H new ATOM 0 HG3 ARG A 44 -3.845 -10.653 -5.138 1.00 73.43 H new ATOM 0 HD2 ARG A 44 -2.607 -11.662 -7.188 1.00 31.02 H new ATOM 0 HD3 ARG A 44 -2.306 -13.064 -6.181 1.00 31.02 H new ATOM 0 HE ARG A 44 -5.104 -12.443 -6.101 1.00 60.44 H new ATOM 0 HH11 ARG A 44 -2.668 -13.781 -8.312 1.00 53.52 H new ATOM 0 HH12 ARG A 44 -3.858 -14.728 -9.210 1.00 53.52 H new ATOM 0 HH21 ARG A 44 -6.596 -13.654 -7.245 1.00 24.01 H new ATOM 0 HH22 ARG A 44 -6.083 -14.656 -8.606 1.00 24.01 H new ATOM 637 N GLY A 45 1.987 -10.892 -4.472 1.00 32.34 N ATOM 638 CA GLY A 45 3.210 -10.301 -5.004 1.00 54.22 C ATOM 639 C GLY A 45 3.083 -8.780 -5.086 1.00 63.21 C ATOM 640 O GLY A 45 3.854 -8.136 -5.799 1.00 21.32 O ATOM 0 H GLY A 45 2.080 -11.280 -3.533 1.00 32.34 H new ATOM 0 HA2 GLY A 45 4.055 -10.567 -4.368 1.00 54.22 H new ATOM 0 HA3 GLY A 45 3.416 -10.708 -5.994 1.00 54.22 H new ATOM 644 N PHE A 46 2.075 -8.220 -4.417 1.00 61.51 N ATOM 645 CA PHE A 46 1.891 -6.817 -4.144 1.00 35.33 C ATOM 646 C PHE A 46 1.233 -6.706 -2.769 1.00 11.12 C ATOM 647 O PHE A 46 0.777 -7.716 -2.215 1.00 22.10 O ATOM 648 CB PHE A 46 1.078 -6.131 -5.263 1.00 34.11 C ATOM 649 CG PHE A 46 -0.293 -6.699 -5.619 1.00 40.23 C ATOM 650 CD1 PHE A 46 -1.353 -6.691 -4.689 1.00 34.22 C ATOM 651 CD2 PHE A 46 -0.545 -7.138 -6.935 1.00 44.32 C ATOM 652 CE1 PHE A 46 -2.634 -7.142 -5.056 1.00 44.53 C ATOM 653 CE2 PHE A 46 -1.830 -7.570 -7.308 1.00 40.33 C ATOM 654 CZ PHE A 46 -2.875 -7.578 -6.369 1.00 55.32 C ATOM 0 H PHE A 46 1.319 -8.785 -4.030 1.00 61.51 H new ATOM 0 HA PHE A 46 2.846 -6.291 -4.127 1.00 35.33 H new ATOM 0 HB2 PHE A 46 0.941 -5.087 -4.981 1.00 34.11 H new ATOM 0 HB3 PHE A 46 1.686 -6.140 -6.168 1.00 34.11 H new ATOM 0 HD1 PHE A 46 -1.180 -6.335 -3.684 1.00 34.22 H new ATOM 0 HD2 PHE A 46 0.254 -7.142 -7.661 1.00 44.32 H new ATOM 0 HE1 PHE A 46 -3.432 -7.153 -4.328 1.00 44.53 H new ATOM 0 HE2 PHE A 46 -2.014 -7.897 -8.321 1.00 40.33 H new ATOM 0 HZ PHE A 46 -3.859 -7.918 -6.656 1.00 55.32 H new ATOM 663 N ALA A 47 1.130 -5.493 -2.230 1.00 53.03 N ATOM 664 CA ALA A 47 0.258 -5.189 -1.104 1.00 4.14 C ATOM 665 C ALA A 47 -0.511 -3.920 -1.400 1.00 14.10 C ATOM 666 O ALA A 47 0.006 -3.005 -2.050 1.00 72.55 O ATOM 667 CB ALA A 47 1.042 -5.012 0.196 1.00 32.44 C ATOM 0 H ALA A 47 1.656 -4.687 -2.568 1.00 53.03 H new ATOM 0 HA ALA A 47 -0.423 -6.030 -0.971 1.00 4.14 H new ATOM 0 HB1 ALA A 47 0.352 -4.787 1.009 1.00 32.44 H new ATOM 0 HB2 ALA A 47 1.582 -5.931 0.423 1.00 32.44 H new ATOM 0 HB3 ALA A 47 1.751 -4.192 0.084 1.00 32.44 H new ATOM 673 N PHE A 48 -1.744 -3.893 -0.906 1.00 4.32 N ATOM 674 CA PHE A 48 -2.532 -2.693 -0.729 1.00 73.33 C ATOM 675 C PHE A 48 -2.169 -2.165 0.659 1.00 35.43 C ATOM 676 O PHE A 48 -2.122 -2.948 1.612 1.00 0.43 O ATOM 677 CB PHE A 48 -4.032 -3.039 -0.850 1.00 34.43 C ATOM 678 CG PHE A 48 -4.550 -3.068 -2.277 1.00 42.25 C ATOM 679 CD1 PHE A 48 -4.023 -3.977 -3.216 1.00 40.51 C ATOM 680 CD2 PHE A 48 -5.499 -2.117 -2.699 1.00 21.20 C ATOM 681 CE1 PHE A 48 -4.369 -3.872 -4.575 1.00 23.33 C ATOM 682 CE2 PHE A 48 -5.861 -2.025 -4.054 1.00 73.33 C ATOM 683 CZ PHE A 48 -5.282 -2.892 -4.995 1.00 14.41 C ATOM 0 H PHE A 48 -2.233 -4.738 -0.610 1.00 4.32 H new ATOM 0 HA PHE A 48 -2.330 -1.935 -1.486 1.00 73.33 H new ATOM 0 HB2 PHE A 48 -4.207 -4.012 -0.392 1.00 34.43 H new ATOM 0 HB3 PHE A 48 -4.609 -2.310 -0.281 1.00 34.43 H new ATOM 0 HD1 PHE A 48 -3.351 -4.757 -2.891 1.00 40.51 H new ATOM 0 HD2 PHE A 48 -5.952 -1.454 -1.977 1.00 21.20 H new ATOM 0 HE1 PHE A 48 -3.932 -4.546 -5.296 1.00 23.33 H new ATOM 0 HE2 PHE A 48 -6.584 -1.288 -4.371 1.00 73.33 H new ATOM 0 HZ PHE A 48 -5.539 -2.805 -6.040 1.00 14.41 H new ATOM 692 N VAL A 49 -1.888 -0.868 0.765 1.00 63.21 N ATOM 693 CA VAL A 49 -1.573 -0.179 2.010 1.00 33.10 C ATOM 694 C VAL A 49 -2.458 1.068 2.021 1.00 10.13 C ATOM 695 O VAL A 49 -2.274 1.944 1.174 1.00 2.13 O ATOM 696 CB VAL A 49 -0.056 0.112 2.080 1.00 25.44 C ATOM 697 CG1 VAL A 49 0.321 0.888 3.347 1.00 14.41 C ATOM 698 CG2 VAL A 49 0.759 -1.192 2.062 1.00 40.22 C ATOM 0 H VAL A 49 -1.873 -0.247 -0.044 1.00 63.21 H new ATOM 0 HA VAL A 49 -1.780 -0.770 2.902 1.00 33.10 H new ATOM 0 HB VAL A 49 0.178 0.716 1.203 1.00 25.44 H new ATOM 0 HG11 VAL A 49 1.396 1.071 3.355 1.00 14.41 H new ATOM 0 HG12 VAL A 49 -0.209 1.840 3.362 1.00 14.41 H new ATOM 0 HG13 VAL A 49 0.045 0.305 4.226 1.00 14.41 H new ATOM 0 HG21 VAL A 49 1.822 -0.957 2.112 1.00 40.22 H new ATOM 0 HG22 VAL A 49 0.482 -1.806 2.919 1.00 40.22 H new ATOM 0 HG23 VAL A 49 0.551 -1.738 1.142 1.00 40.22 H new ATOM 708 N GLU A 50 -3.474 1.101 2.889 1.00 3.01 N ATOM 709 CA GLU A 50 -4.530 2.110 2.944 1.00 61.54 C ATOM 710 C GLU A 50 -4.226 3.041 4.119 1.00 12.30 C ATOM 711 O GLU A 50 -4.080 2.559 5.245 1.00 50.03 O ATOM 712 CB GLU A 50 -5.875 1.391 3.163 1.00 71.04 C ATOM 713 CG GLU A 50 -7.077 2.070 2.501 1.00 62.23 C ATOM 714 CD GLU A 50 -8.124 2.544 3.502 1.00 54.54 C ATOM 715 OE1 GLU A 50 -7.915 3.652 4.048 1.00 45.52 O ATOM 716 OE2 GLU A 50 -9.136 1.838 3.722 1.00 54.54 O ATOM 0 H GLU A 50 -3.585 0.386 3.608 1.00 3.01 H new ATOM 0 HA GLU A 50 -4.581 2.689 2.022 1.00 61.54 H new ATOM 0 HB2 GLU A 50 -5.794 0.373 2.782 1.00 71.04 H new ATOM 0 HB3 GLU A 50 -6.061 1.316 4.234 1.00 71.04 H new ATOM 0 HG2 GLU A 50 -6.729 2.922 1.918 1.00 62.23 H new ATOM 0 HG3 GLU A 50 -7.540 1.374 1.802 1.00 62.23 H new ATOM 721 N PHE A 51 -4.075 4.345 3.900 1.00 11.10 N ATOM 722 CA PHE A 51 -3.553 5.267 4.915 1.00 2.43 C ATOM 723 C PHE A 51 -4.679 5.902 5.714 1.00 74.33 C ATOM 724 O PHE A 51 -5.754 6.152 5.170 1.00 12.11 O ATOM 725 CB PHE A 51 -2.673 6.342 4.268 1.00 50.13 C ATOM 726 CG PHE A 51 -1.294 5.837 3.902 1.00 73.34 C ATOM 727 CD1 PHE A 51 -0.311 5.698 4.902 1.00 2.40 C ATOM 728 CD2 PHE A 51 -0.993 5.490 2.572 1.00 3.13 C ATOM 729 CE1 PHE A 51 0.975 5.247 4.572 1.00 51.05 C ATOM 730 CE2 PHE A 51 0.289 5.003 2.257 1.00 21.14 C ATOM 731 CZ PHE A 51 1.271 4.891 3.252 1.00 10.40 C ATOM 0 H PHE A 51 -4.310 4.796 3.016 1.00 11.10 H new ATOM 0 HA PHE A 51 -2.939 4.690 5.606 1.00 2.43 H new ATOM 0 HB2 PHE A 51 -3.167 6.716 3.371 1.00 50.13 H new ATOM 0 HB3 PHE A 51 -2.575 7.184 4.953 1.00 50.13 H new ATOM 0 HD1 PHE A 51 -0.549 5.940 5.927 1.00 2.40 H new ATOM 0 HD2 PHE A 51 -1.740 5.597 1.799 1.00 3.13 H new ATOM 0 HE1 PHE A 51 1.735 5.175 5.335 1.00 51.05 H new ATOM 0 HE2 PHE A 51 0.518 4.713 1.242 1.00 21.14 H new ATOM 0 HZ PHE A 51 2.257 4.530 2.999 1.00 10.40 H new ATOM 740 N SER A 52 -4.414 6.230 6.980 1.00 3.21 N ATOM 741 CA SER A 52 -5.382 6.917 7.819 1.00 11.03 C ATOM 742 C SER A 52 -5.638 8.319 7.272 1.00 71.14 C ATOM 743 O SER A 52 -6.770 8.791 7.343 1.00 22.50 O ATOM 744 CB SER A 52 -4.870 7.004 9.264 1.00 64.15 C ATOM 745 OG SER A 52 -5.887 6.661 10.184 1.00 11.34 O ATOM 0 H SER A 52 -3.529 6.027 7.444 1.00 3.21 H new ATOM 0 HA SER A 52 -6.315 6.353 7.813 1.00 11.03 H new ATOM 0 HB2 SER A 52 -4.018 6.336 9.392 1.00 64.15 H new ATOM 0 HB3 SER A 52 -4.516 8.015 9.468 1.00 64.15 H new ATOM 0 HG SER A 52 -5.536 6.722 11.097 1.00 11.34 H new ATOM 750 N HIS A 53 -4.613 8.965 6.708 1.00 43.34 N ATOM 751 CA HIS A 53 -4.730 10.298 6.147 1.00 65.23 C ATOM 752 C HIS A 53 -4.405 10.257 4.664 1.00 41.11 C ATOM 753 O HIS A 53 -3.493 9.545 4.240 1.00 42.04 O ATOM 754 CB HIS A 53 -3.761 11.266 6.821 1.00 30.12 C ATOM 755 CG HIS A 53 -3.835 11.355 8.322 1.00 12.42 C ATOM 756 ND1 HIS A 53 -4.533 12.327 9.001 1.00 64.34 N ATOM 757 CD2 HIS A 53 -3.181 10.579 9.249 1.00 70.25 C ATOM 758 CE1 HIS A 53 -4.309 12.133 10.305 1.00 14.41 C ATOM 759 NE2 HIS A 53 -3.481 11.098 10.513 1.00 52.42 N ATOM 0 H HIS A 53 -3.676 8.568 6.632 1.00 43.34 H new ATOM 0 HA HIS A 53 -5.752 10.641 6.310 1.00 65.23 H new ATOM 0 HB2 HIS A 53 -2.746 10.979 6.546 1.00 30.12 H new ATOM 0 HB3 HIS A 53 -3.933 12.261 6.411 1.00 30.12 H new ATOM 0 HD2 HIS A 53 -2.552 9.726 9.040 1.00 70.25 H new ATOM 0 HE1 HIS A 53 -4.740 12.734 11.092 1.00 14.41 H new ATOM 0 HE2 HIS A 53 -3.139 10.758 11.412 1.00 52.42 H new ATOM 766 N LEU A 54 -5.071 11.111 3.889 1.00 4.31 N ATOM 767 CA LEU A 54 -4.856 11.190 2.453 1.00 41.04 C ATOM 768 C LEU A 54 -3.427 11.659 2.153 1.00 25.32 C ATOM 769 O LEU A 54 -2.769 11.129 1.257 1.00 10.02 O ATOM 770 CB LEU A 54 -5.902 12.106 1.786 1.00 21.04 C ATOM 771 CG LEU A 54 -7.366 11.633 1.943 1.00 51.33 C ATOM 772 CD1 LEU A 54 -8.064 12.311 3.133 1.00 32.12 C ATOM 773 CD2 LEU A 54 -8.177 11.943 0.678 1.00 54.12 C ATOM 0 H LEU A 54 -5.771 11.764 4.241 1.00 4.31 H new ATOM 0 HA LEU A 54 -4.981 10.193 2.029 1.00 41.04 H new ATOM 0 HB2 LEU A 54 -5.810 13.107 2.207 1.00 21.04 H new ATOM 0 HB3 LEU A 54 -5.672 12.185 0.724 1.00 21.04 H new ATOM 0 HG LEU A 54 -7.325 10.557 2.115 1.00 51.33 H new ATOM 0 HD11 LEU A 54 -9.090 11.950 3.207 1.00 32.12 H new ATOM 0 HD12 LEU A 54 -7.529 12.073 4.052 1.00 32.12 H new ATOM 0 HD13 LEU A 54 -8.069 13.391 2.985 1.00 32.12 H new ATOM 0 HD21 LEU A 54 -9.204 11.602 0.811 1.00 54.12 H new ATOM 0 HD22 LEU A 54 -8.173 13.018 0.497 1.00 54.12 H new ATOM 0 HD23 LEU A 54 -7.732 11.430 -0.174 1.00 54.12 H new ATOM 784 N GLN A 55 -2.908 12.648 2.891 1.00 34.15 N ATOM 785 CA GLN A 55 -1.617 13.250 2.554 1.00 74.22 C ATOM 786 C GLN A 55 -0.431 12.361 2.938 1.00 64.50 C ATOM 787 O GLN A 55 0.665 12.553 2.398 1.00 32.25 O ATOM 788 CB GLN A 55 -1.502 14.673 3.127 1.00 21.24 C ATOM 789 CG GLN A 55 -0.986 14.824 4.559 1.00 64.11 C ATOM 790 CD GLN A 55 -1.873 14.099 5.551 1.00 10.04 C ATOM 791 OE1 GLN A 55 -3.090 14.245 5.531 1.00 31.12 O ATOM 792 NE2 GLN A 55 -1.286 13.256 6.378 1.00 62.34 N ATOM 0 H GLN A 55 -3.358 13.043 3.716 1.00 34.15 H new ATOM 0 HA GLN A 55 -1.576 13.335 1.468 1.00 74.22 H new ATOM 0 HB2 GLN A 55 -0.846 15.246 2.472 1.00 21.24 H new ATOM 0 HB3 GLN A 55 -2.487 15.136 3.075 1.00 21.24 H new ATOM 0 HG2 GLN A 55 0.029 14.432 4.624 1.00 64.11 H new ATOM 0 HG3 GLN A 55 -0.937 15.881 4.819 1.00 64.11 H new ATOM 0 HE21 GLN A 55 -0.271 13.157 6.370 1.00 62.34 H new ATOM 0 HE22 GLN A 55 -1.847 12.703 7.025 1.00 62.34 H new ATOM 799 N ASP A 56 -0.636 11.387 3.835 1.00 32.33 N ATOM 800 CA ASP A 56 0.398 10.429 4.237 1.00 5.21 C ATOM 801 C ASP A 56 0.777 9.548 3.054 1.00 61.43 C ATOM 802 O ASP A 56 1.939 9.150 2.962 1.00 73.25 O ATOM 803 CB ASP A 56 -0.047 9.518 5.399 1.00 4.31 C ATOM 804 CG ASP A 56 0.344 10.012 6.794 1.00 74.12 C ATOM 805 OD1 ASP A 56 1.356 10.734 6.963 1.00 51.31 O ATOM 806 OD2 ASP A 56 -0.374 9.651 7.753 1.00 1.04 O ATOM 0 H ASP A 56 -1.530 11.242 4.304 1.00 32.33 H new ATOM 0 HA ASP A 56 1.250 11.018 4.577 1.00 5.21 H new ATOM 0 HB2 ASP A 56 -1.131 9.407 5.360 1.00 4.31 H new ATOM 0 HB3 ASP A 56 0.380 8.527 5.248 1.00 4.31 H new ATOM 810 N ALA A 57 -0.160 9.303 2.122 1.00 65.44 N ATOM 811 CA ALA A 57 0.126 8.543 0.918 1.00 61.53 C ATOM 812 C ALA A 57 1.261 9.241 0.169 1.00 62.12 C ATOM 813 O ALA A 57 2.308 8.639 -0.064 1.00 13.13 O ATOM 814 CB ALA A 57 -1.113 8.386 0.042 1.00 54.12 C ATOM 0 H ALA A 57 -1.124 9.628 2.191 1.00 65.44 H new ATOM 0 HA ALA A 57 0.433 7.533 1.189 1.00 61.53 H new ATOM 0 HB1 ALA A 57 -0.858 7.812 -0.849 1.00 54.12 H new ATOM 0 HB2 ALA A 57 -1.890 7.864 0.601 1.00 54.12 H new ATOM 0 HB3 ALA A 57 -1.477 9.370 -0.252 1.00 54.12 H new ATOM 820 N THR A 58 1.080 10.527 -0.145 1.00 10.41 N ATOM 821 CA THR A 58 2.115 11.353 -0.747 1.00 1.01 C ATOM 822 C THR A 58 3.391 11.334 0.070 1.00 62.34 C ATOM 823 O THR A 58 4.470 11.184 -0.497 1.00 42.43 O ATOM 824 CB THR A 58 1.695 12.826 -0.873 1.00 41.13 C ATOM 825 OG1 THR A 58 0.402 13.098 -0.357 1.00 21.42 O ATOM 826 CG2 THR A 58 1.828 13.228 -2.328 1.00 44.23 C ATOM 0 H THR A 58 0.203 11.022 0.015 1.00 10.41 H new ATOM 0 HA THR A 58 2.277 10.924 -1.736 1.00 1.01 H new ATOM 0 HB THR A 58 2.358 13.430 -0.253 1.00 41.13 H new ATOM 0 HG1 THR A 58 0.394 12.933 0.609 1.00 21.42 H new ATOM 0 HG21 THR A 58 1.535 14.271 -2.445 1.00 44.23 H new ATOM 0 HG22 THR A 58 2.863 13.103 -2.647 1.00 44.23 H new ATOM 0 HG23 THR A 58 1.182 12.599 -2.940 1.00 44.23 H new ATOM 834 N ARG A 59 3.273 11.531 1.390 1.00 3.32 N ATOM 835 CA ARG A 59 4.433 11.614 2.262 1.00 62.14 C ATOM 836 C ARG A 59 5.293 10.375 2.051 1.00 74.24 C ATOM 837 O ARG A 59 6.513 10.476 2.097 1.00 63.13 O ATOM 838 CB ARG A 59 3.965 11.825 3.718 1.00 43.40 C ATOM 839 CG ARG A 59 5.017 12.462 4.647 1.00 71.40 C ATOM 840 CD ARG A 59 4.340 13.178 5.824 1.00 34.53 C ATOM 841 NE ARG A 59 5.258 14.085 6.529 1.00 5.24 N ATOM 842 CZ ARG A 59 4.916 14.943 7.499 1.00 14.04 C ATOM 843 NH1 ARG A 59 3.670 14.995 7.958 1.00 70.43 N ATOM 844 NH2 ARG A 59 5.828 15.766 8.000 1.00 65.14 N ATOM 0 H ARG A 59 2.379 11.635 1.870 1.00 3.32 H new ATOM 0 HA ARG A 59 5.060 12.473 2.023 1.00 62.14 H new ATOM 0 HB2 ARG A 59 3.076 12.456 3.712 1.00 43.40 H new ATOM 0 HB3 ARG A 59 3.669 10.862 4.133 1.00 43.40 H new ATOM 0 HG2 ARG A 59 5.691 11.692 5.023 1.00 71.40 H new ATOM 0 HG3 ARG A 59 5.624 13.171 4.084 1.00 71.40 H new ATOM 0 HD2 ARG A 59 3.484 13.744 5.458 1.00 34.53 H new ATOM 0 HD3 ARG A 59 3.956 12.437 6.525 1.00 34.53 H new ATOM 0 HE ARG A 59 6.240 14.058 6.256 1.00 5.24 H new ATOM 0 HH11 ARG A 59 2.958 14.376 7.571 1.00 70.43 H new ATOM 0 HH12 ARG A 59 3.426 15.654 8.697 1.00 70.43 H new ATOM 0 HH21 ARG A 59 6.784 15.743 7.646 1.00 65.14 H new ATOM 0 HH22 ARG A 59 5.573 16.421 8.739 1.00 65.14 H new ATOM 855 N TRP A 60 4.686 9.203 1.857 1.00 54.01 N ATOM 856 CA TRP A 60 5.399 7.973 1.560 1.00 14.20 C ATOM 857 C TRP A 60 6.005 8.017 0.147 1.00 1.31 C ATOM 858 O TRP A 60 7.216 7.848 0.000 1.00 3.05 O ATOM 859 CB TRP A 60 4.456 6.783 1.789 1.00 44.31 C ATOM 860 CG TRP A 60 5.085 5.530 2.314 1.00 1.12 C ATOM 861 CD1 TRP A 60 6.074 5.449 3.237 1.00 21.22 C ATOM 862 CD2 TRP A 60 4.708 4.155 2.015 1.00 25.30 C ATOM 863 NE1 TRP A 60 6.342 4.125 3.517 1.00 53.01 N ATOM 864 CE2 TRP A 60 5.456 3.292 2.864 1.00 53.13 C ATOM 865 CE3 TRP A 60 3.765 3.552 1.157 1.00 53.32 C ATOM 866 CZ2 TRP A 60 5.195 1.921 2.931 1.00 63.22 C ATOM 867 CZ3 TRP A 60 3.526 2.166 1.185 1.00 12.00 C ATOM 868 CH2 TRP A 60 4.234 1.348 2.082 1.00 31.33 C ATOM 0 H TRP A 60 3.674 9.087 1.904 1.00 54.01 H new ATOM 0 HA TRP A 60 6.247 7.853 2.234 1.00 14.20 H new ATOM 0 HB2 TRP A 60 3.677 7.093 2.486 1.00 44.31 H new ATOM 0 HB3 TRP A 60 3.964 6.549 0.845 1.00 44.31 H new ATOM 0 HD1 TRP A 60 6.576 6.293 3.686 1.00 21.22 H new ATOM 0 HE1 TRP A 60 7.095 3.804 4.126 1.00 53.01 H new ATOM 0 HE3 TRP A 60 3.214 4.169 0.462 1.00 53.32 H new ATOM 0 HZ2 TRP A 60 5.732 1.302 3.635 1.00 63.22 H new ATOM 0 HZ3 TRP A 60 2.798 1.730 0.517 1.00 12.00 H new ATOM 0 HH2 TRP A 60 4.040 0.286 2.118 1.00 31.33 H new ATOM 878 N MET A 61 5.176 8.255 -0.879 1.00 4.24 N ATOM 879 CA MET A 61 5.519 8.156 -2.299 1.00 25.24 C ATOM 880 C MET A 61 6.650 9.104 -2.690 1.00 74.51 C ATOM 881 O MET A 61 7.627 8.678 -3.306 1.00 13.15 O ATOM 882 CB MET A 61 4.286 8.492 -3.153 1.00 44.32 C ATOM 883 CG MET A 61 3.048 7.628 -2.865 1.00 3.31 C ATOM 884 SD MET A 61 2.671 6.250 -3.978 1.00 23.42 S ATOM 885 CE MET A 61 2.610 7.120 -5.558 1.00 34.32 C ATOM 0 H MET A 61 4.206 8.534 -0.732 1.00 4.24 H new ATOM 0 HA MET A 61 5.852 7.134 -2.477 1.00 25.24 H new ATOM 0 HB2 MET A 61 4.026 9.539 -2.995 1.00 44.32 H new ATOM 0 HB3 MET A 61 4.550 8.385 -4.205 1.00 44.32 H new ATOM 0 HG2 MET A 61 3.156 7.221 -1.860 1.00 3.31 H new ATOM 0 HG3 MET A 61 2.181 8.288 -2.850 1.00 3.31 H new ATOM 0 HE1 MET A 61 1.861 6.657 -6.200 1.00 34.32 H new ATOM 0 HE2 MET A 61 2.347 8.164 -5.389 1.00 34.32 H new ATOM 0 HE3 MET A 61 3.585 7.065 -6.041 1.00 34.32 H new ATOM 893 N GLU A 62 6.506 10.385 -2.354 1.00 31.33 N ATOM 894 CA GLU A 62 7.415 11.468 -2.720 1.00 41.30 C ATOM 895 C GLU A 62 8.790 11.193 -2.116 1.00 44.22 C ATOM 896 O GLU A 62 9.822 11.296 -2.776 1.00 2.25 O ATOM 897 CB GLU A 62 6.845 12.789 -2.164 1.00 41.14 C ATOM 898 CG GLU A 62 5.535 13.229 -2.826 1.00 1.42 C ATOM 899 CD GLU A 62 5.716 14.014 -4.123 1.00 42.13 C ATOM 900 OE1 GLU A 62 6.419 13.534 -5.043 1.00 71.24 O ATOM 901 OE2 GLU A 62 5.105 15.100 -4.236 1.00 62.30 O ATOM 0 H GLU A 62 5.717 10.710 -1.794 1.00 31.33 H new ATOM 0 HA GLU A 62 7.513 11.538 -3.803 1.00 41.30 H new ATOM 0 HB2 GLU A 62 6.680 12.679 -1.092 1.00 41.14 H new ATOM 0 HB3 GLU A 62 7.588 13.576 -2.293 1.00 41.14 H new ATOM 0 HG2 GLU A 62 4.931 12.345 -3.032 1.00 1.42 H new ATOM 0 HG3 GLU A 62 4.973 13.841 -2.120 1.00 1.42 H new ATOM 906 N ALA A 63 8.784 10.740 -0.863 1.00 14.43 N ATOM 907 CA ALA A 63 9.988 10.453 -0.083 1.00 44.20 C ATOM 908 C ALA A 63 10.710 9.203 -0.584 1.00 4.13 C ATOM 909 O ALA A 63 11.796 8.867 -0.102 1.00 61.31 O ATOM 910 CB ALA A 63 9.638 10.312 1.401 1.00 4.01 C ATOM 0 H ALA A 63 7.922 10.558 -0.350 1.00 14.43 H new ATOM 0 HA ALA A 63 10.670 11.294 -0.210 1.00 44.20 H new ATOM 0 HB1 ALA A 63 10.543 10.099 1.970 1.00 4.01 H new ATOM 0 HB2 ALA A 63 9.194 11.241 1.760 1.00 4.01 H new ATOM 0 HB3 ALA A 63 8.927 9.496 1.531 1.00 4.01 H new ATOM 916 N ASN A 64 10.124 8.507 -1.553 1.00 11.41 N ATOM 917 CA ASN A 64 10.680 7.329 -2.183 1.00 33.51 C ATOM 918 C ASN A 64 10.824 7.525 -3.683 1.00 10.32 C ATOM 919 O ASN A 64 11.372 6.649 -4.347 1.00 5.04 O ATOM 920 CB ASN A 64 9.840 6.112 -1.782 1.00 30.31 C ATOM 921 CG ASN A 64 10.260 5.716 -0.380 1.00 5.31 C ATOM 922 OD1 ASN A 64 11.297 5.092 -0.196 1.00 72.44 O ATOM 923 ND2 ASN A 64 9.552 6.165 0.644 1.00 44.43 N ATOM 0 H ASN A 64 9.212 8.764 -1.931 1.00 11.41 H new ATOM 0 HA ASN A 64 11.696 7.149 -1.831 1.00 33.51 H new ATOM 0 HB2 ASN A 64 8.777 6.352 -1.811 1.00 30.31 H new ATOM 0 HB3 ASN A 64 10.000 5.289 -2.478 1.00 30.31 H new ATOM 0 HD21 ASN A 64 9.869 5.992 1.598 1.00 44.43 H new ATOM 0 HD22 ASN A 64 8.689 6.684 0.479 1.00 44.43 H new ATOM 929 N GLN A 65 10.406 8.675 -4.233 1.00 41.40 N ATOM 930 CA GLN A 65 10.466 8.977 -5.660 1.00 11.45 C ATOM 931 C GLN A 65 9.713 7.883 -6.423 1.00 3.45 C ATOM 932 O GLN A 65 10.103 7.494 -7.521 1.00 13.15 O ATOM 933 CB GLN A 65 11.926 9.169 -6.119 1.00 43.40 C ATOM 934 CG GLN A 65 12.732 10.162 -5.254 1.00 54.42 C ATOM 935 CD GLN A 65 14.150 9.664 -4.996 1.00 14.33 C ATOM 936 OE1 GLN A 65 15.117 10.223 -5.508 1.00 32.21 O ATOM 937 NE2 GLN A 65 14.294 8.614 -4.206 1.00 51.24 N ATOM 0 H GLN A 65 10.009 9.434 -3.680 1.00 41.40 H new ATOM 0 HA GLN A 65 9.974 9.925 -5.876 1.00 11.45 H new ATOM 0 HB2 GLN A 65 12.429 8.202 -6.108 1.00 43.40 H new ATOM 0 HB3 GLN A 65 11.928 9.518 -7.152 1.00 43.40 H new ATOM 0 HG2 GLN A 65 12.772 11.130 -5.753 1.00 54.42 H new ATOM 0 HG3 GLN A 65 12.221 10.314 -4.303 1.00 54.42 H new ATOM 0 HE21 GLN A 65 13.474 8.169 -3.794 1.00 51.24 H new ATOM 0 HE22 GLN A 65 15.226 8.249 -4.008 1.00 51.24 H new ATOM 944 N HIS A 66 8.653 7.355 -5.799 1.00 14.35 N ATOM 945 CA HIS A 66 7.840 6.244 -6.287 1.00 21.34 C ATOM 946 C HIS A 66 8.554 4.870 -6.294 1.00 62.22 C ATOM 947 O HIS A 66 7.993 3.915 -6.843 1.00 23.53 O ATOM 948 CB HIS A 66 7.204 6.539 -7.663 1.00 10.30 C ATOM 949 CG HIS A 66 6.526 7.875 -7.861 1.00 1.35 C ATOM 950 ND1 HIS A 66 6.145 8.370 -9.092 1.00 33.51 N ATOM 951 CD2 HIS A 66 6.176 8.801 -6.908 1.00 24.14 C ATOM 952 CE1 HIS A 66 5.567 9.565 -8.892 1.00 73.51 C ATOM 953 NE2 HIS A 66 5.545 9.853 -7.579 1.00 54.01 N ATOM 0 H HIS A 66 8.327 7.710 -4.900 1.00 14.35 H new ATOM 0 HA HIS A 66 7.043 6.159 -5.548 1.00 21.34 H new ATOM 0 HB2 HIS A 66 7.984 6.446 -8.418 1.00 10.30 H new ATOM 0 HB3 HIS A 66 6.470 5.759 -7.865 1.00 10.30 H new ATOM 0 HD2 HIS A 66 6.354 8.730 -5.845 1.00 24.14 H new ATOM 0 HE1 HIS A 66 5.177 10.202 -9.672 1.00 73.51 H new ATOM 0 HE2 HIS A 66 5.142 10.686 -7.151 1.00 54.01 H new ATOM 960 N SER A 67 9.740 4.714 -5.700 1.00 13.00 N ATOM 961 CA SER A 67 10.501 3.465 -5.695 1.00 54.34 C ATOM 962 C SER A 67 10.855 3.064 -4.265 1.00 42.05 C ATOM 963 O SER A 67 11.611 3.770 -3.598 1.00 23.53 O ATOM 964 CB SER A 67 11.753 3.600 -6.568 1.00 73.54 C ATOM 965 OG SER A 67 12.450 4.826 -6.380 1.00 43.13 O ATOM 0 H SER A 67 10.207 5.470 -5.199 1.00 13.00 H new ATOM 0 HA SER A 67 9.884 2.672 -6.119 1.00 54.34 H new ATOM 0 HB2 SER A 67 12.428 2.772 -6.352 1.00 73.54 H new ATOM 0 HB3 SER A 67 11.466 3.512 -7.616 1.00 73.54 H new ATOM 0 HG SER A 67 12.106 5.279 -5.582 1.00 43.13 H new ATOM 970 N LEU A 68 10.317 1.939 -3.797 1.00 61.13 N ATOM 971 CA LEU A 68 10.740 1.301 -2.543 1.00 31.13 C ATOM 972 C LEU A 68 11.750 0.200 -2.845 1.00 2.30 C ATOM 973 O LEU A 68 11.916 -0.211 -4.000 1.00 72.53 O ATOM 974 CB LEU A 68 9.559 0.644 -1.802 1.00 43.23 C ATOM 975 CG LEU A 68 8.650 1.533 -0.932 1.00 62.52 C ATOM 976 CD1 LEU A 68 7.519 0.691 -0.329 1.00 13.00 C ATOM 977 CD2 LEU A 68 9.409 2.153 0.240 1.00 42.15 C ATOM 0 H LEU A 68 9.570 1.438 -4.278 1.00 61.13 H new ATOM 0 HA LEU A 68 11.169 2.084 -1.917 1.00 31.13 H new ATOM 0 HB2 LEU A 68 8.930 0.156 -2.547 1.00 43.23 H new ATOM 0 HB3 LEU A 68 9.964 -0.141 -1.163 1.00 43.23 H new ATOM 0 HG LEU A 68 8.268 2.320 -1.583 1.00 62.52 H new ATOM 0 HD11 LEU A 68 6.880 1.326 0.285 1.00 13.00 H new ATOM 0 HD12 LEU A 68 6.928 0.248 -1.131 1.00 13.00 H new ATOM 0 HD13 LEU A 68 7.944 -0.101 0.288 1.00 13.00 H new ATOM 0 HD21 LEU A 68 8.730 2.772 0.827 1.00 42.15 H new ATOM 0 HD22 LEU A 68 9.815 1.362 0.870 1.00 42.15 H new ATOM 0 HD23 LEU A 68 10.224 2.769 -0.140 1.00 42.15 H new ATOM 988 N ASN A 69 12.380 -0.318 -1.791 1.00 31.33 N ATOM 989 CA ASN A 69 13.271 -1.455 -1.848 1.00 4.02 C ATOM 990 C ASN A 69 13.114 -2.278 -0.589 1.00 63.33 C ATOM 991 O ASN A 69 13.318 -1.764 0.513 1.00 51.12 O ATOM 992 CB ASN A 69 14.698 -0.972 -1.997 1.00 43.41 C ATOM 993 CG ASN A 69 15.626 -2.172 -2.198 1.00 21.24 C ATOM 994 OD1 ASN A 69 15.843 -2.965 -1.286 1.00 31.23 O ATOM 995 ND2 ASN A 69 16.143 -2.379 -3.395 1.00 35.44 N ATOM 0 H ASN A 69 12.275 0.060 -0.850 1.00 31.33 H new ATOM 0 HA ASN A 69 13.024 -2.079 -2.707 1.00 4.02 H new ATOM 0 HB2 ASN A 69 14.776 -0.292 -2.846 1.00 43.41 H new ATOM 0 HB3 ASN A 69 14.998 -0.412 -1.111 1.00 43.41 H new ATOM 0 HD21 ASN A 69 16.725 -3.200 -3.564 1.00 35.44 H new ATOM 0 HD22 ASN A 69 15.961 -1.718 -4.150 1.00 35.44 H new ATOM 1001 N ILE A 70 12.724 -3.536 -0.770 1.00 41.24 N ATOM 1002 CA ILE A 70 12.452 -4.488 0.281 1.00 41.34 C ATOM 1003 C ILE A 70 13.299 -5.716 0.015 1.00 41.23 C ATOM 1004 O ILE A 70 13.139 -6.386 -1.010 1.00 32.43 O ATOM 1005 CB ILE A 70 10.936 -4.747 0.320 1.00 35.32 C ATOM 1006 CG1 ILE A 70 10.269 -3.460 0.832 1.00 35.42 C ATOM 1007 CG2 ILE A 70 10.535 -5.917 1.231 1.00 2.00 C ATOM 1008 CD1 ILE A 70 9.518 -2.667 -0.230 1.00 12.14 C ATOM 0 H ILE A 70 12.585 -3.930 -1.701 1.00 41.24 H new ATOM 0 HA ILE A 70 12.721 -4.127 1.274 1.00 41.34 H new ATOM 0 HB ILE A 70 10.612 -5.019 -0.685 1.00 35.32 H new ATOM 0 HG12 ILE A 70 9.575 -3.720 1.631 1.00 35.42 H new ATOM 0 HG13 ILE A 70 11.034 -2.820 1.271 1.00 35.42 H new ATOM 0 HG21 ILE A 70 9.452 -6.041 1.209 1.00 2.00 H new ATOM 0 HG22 ILE A 70 11.012 -6.832 0.880 1.00 2.00 H new ATOM 0 HG23 ILE A 70 10.856 -5.710 2.252 1.00 2.00 H new ATOM 0 HD11 ILE A 70 9.081 -1.777 0.222 1.00 12.14 H new ATOM 0 HD12 ILE A 70 10.209 -2.371 -1.019 1.00 12.14 H new ATOM 0 HD13 ILE A 70 8.726 -3.285 -0.654 1.00 12.14 H new ATOM 1019 N LEU A 71 14.202 -5.998 0.959 1.00 23.41 N ATOM 1020 CA LEU A 71 15.082 -7.164 0.960 1.00 55.25 C ATOM 1021 C LEU A 71 15.956 -7.189 -0.298 1.00 21.10 C ATOM 1022 O LEU A 71 16.363 -8.265 -0.736 1.00 73.53 O ATOM 1023 CB LEU A 71 14.269 -8.462 1.163 1.00 12.30 C ATOM 1024 CG LEU A 71 13.226 -8.398 2.294 1.00 75.11 C ATOM 1025 CD1 LEU A 71 12.441 -9.706 2.328 1.00 43.35 C ATOM 1026 CD2 LEU A 71 13.831 -8.085 3.663 1.00 73.13 C ATOM 0 H LEU A 71 14.343 -5.397 1.771 1.00 23.41 H new ATOM 0 HA LEU A 71 15.766 -7.093 1.806 1.00 55.25 H new ATOM 0 HB2 LEU A 71 13.759 -8.705 0.231 1.00 12.30 H new ATOM 0 HB3 LEU A 71 14.960 -9.279 1.371 1.00 12.30 H new ATOM 0 HG LEU A 71 12.557 -7.566 2.075 1.00 75.11 H new ATOM 0 HD11 LEU A 71 11.701 -9.666 3.127 1.00 43.35 H new ATOM 0 HD12 LEU A 71 11.936 -9.852 1.373 1.00 43.35 H new ATOM 0 HD13 LEU A 71 13.124 -10.536 2.508 1.00 43.35 H new ATOM 0 HD21 LEU A 71 13.040 -8.055 4.412 1.00 73.13 H new ATOM 0 HD22 LEU A 71 14.552 -8.858 3.927 1.00 73.13 H new ATOM 0 HD23 LEU A 71 14.333 -7.118 3.627 1.00 73.13 H new ATOM 1037 N GLY A 72 16.217 -6.010 -0.874 1.00 24.24 N ATOM 1038 CA GLY A 72 17.052 -5.791 -2.036 1.00 62.55 C ATOM 1039 C GLY A 72 16.263 -5.618 -3.334 1.00 62.31 C ATOM 1040 O GLY A 72 16.821 -5.076 -4.289 1.00 24.40 O ATOM 0 H GLY A 72 15.824 -5.141 -0.513 1.00 24.24 H new ATOM 0 HA2 GLY A 72 17.663 -4.904 -1.871 1.00 62.55 H new ATOM 0 HA3 GLY A 72 17.735 -6.633 -2.146 1.00 62.55 H new ATOM 1044 N GLN A 73 14.993 -6.031 -3.412 1.00 75.31 N ATOM 1045 CA GLN A 73 14.231 -6.012 -4.651 1.00 24.34 C ATOM 1046 C GLN A 73 13.717 -4.604 -4.889 1.00 55.01 C ATOM 1047 O GLN A 73 13.201 -3.971 -3.967 1.00 74.24 O ATOM 1048 CB GLN A 73 13.051 -6.988 -4.571 1.00 44.01 C ATOM 1049 CG GLN A 73 13.431 -8.455 -4.836 1.00 71.43 C ATOM 1050 CD GLN A 73 14.432 -9.020 -3.832 1.00 72.52 C ATOM 1051 OE1 GLN A 73 15.492 -9.512 -4.207 1.00 34.13 O ATOM 1052 NE2 GLN A 73 14.117 -8.954 -2.550 1.00 0.24 N ATOM 0 H GLN A 73 14.470 -6.387 -2.612 1.00 75.31 H new ATOM 0 HA GLN A 73 14.875 -6.319 -5.475 1.00 24.34 H new ATOM 0 HB2 GLN A 73 12.598 -6.914 -3.582 1.00 44.01 H new ATOM 0 HB3 GLN A 73 12.292 -6.684 -5.292 1.00 44.01 H new ATOM 0 HG2 GLN A 73 12.527 -9.064 -4.817 1.00 71.43 H new ATOM 0 HG3 GLN A 73 13.850 -8.537 -5.839 1.00 71.43 H new ATOM 0 HE21 GLN A 73 13.230 -8.540 -2.263 1.00 0.24 H new ATOM 0 HE22 GLN A 73 14.761 -9.317 -1.847 1.00 0.24 H new ATOM 1059 N LYS A 74 13.790 -4.140 -6.136 1.00 40.25 N ATOM 1060 CA LYS A 74 13.133 -2.913 -6.559 1.00 12.03 C ATOM 1061 C LYS A 74 11.627 -3.153 -6.580 1.00 11.42 C ATOM 1062 O LYS A 74 11.158 -4.077 -7.241 1.00 74.53 O ATOM 1063 CB LYS A 74 13.680 -2.488 -7.931 1.00 4.23 C ATOM 1064 CG LYS A 74 12.992 -1.220 -8.472 1.00 43.14 C ATOM 1065 CD LYS A 74 13.922 -0.394 -9.374 1.00 74.22 C ATOM 1066 CE LYS A 74 14.907 0.373 -8.484 1.00 70.35 C ATOM 1067 NZ LYS A 74 15.841 1.242 -9.219 1.00 45.03 N ATOM 0 H LYS A 74 14.308 -4.608 -6.879 1.00 40.25 H new ATOM 0 HA LYS A 74 13.336 -2.097 -5.865 1.00 12.03 H new ATOM 0 HB2 LYS A 74 14.753 -2.310 -7.852 1.00 4.23 H new ATOM 0 HB3 LYS A 74 13.543 -3.303 -8.642 1.00 4.23 H new ATOM 0 HG2 LYS A 74 12.102 -1.503 -9.034 1.00 43.14 H new ATOM 0 HG3 LYS A 74 12.659 -0.605 -7.636 1.00 43.14 H new ATOM 0 HD2 LYS A 74 14.461 -1.046 -10.061 1.00 74.22 H new ATOM 0 HD3 LYS A 74 13.342 0.300 -9.982 1.00 74.22 H new ATOM 0 HE2 LYS A 74 14.342 0.982 -7.778 1.00 70.35 H new ATOM 0 HE3 LYS A 74 15.482 -0.344 -7.897 1.00 70.35 H new ATOM 0 HZ1 LYS A 74 16.471 1.723 -8.545 1.00 45.03 H new ATOM 0 HZ2 LYS A 74 16.409 0.667 -9.873 1.00 45.03 H new ATOM 0 HZ3 LYS A 74 15.304 1.951 -9.758 1.00 45.03 H new ATOM 1077 N VAL A 75 10.884 -2.298 -5.884 1.00 61.15 N ATOM 1078 CA VAL A 75 9.434 -2.335 -5.762 1.00 0.30 C ATOM 1079 C VAL A 75 8.939 -0.988 -6.302 1.00 11.04 C ATOM 1080 O VAL A 75 9.580 0.050 -6.085 1.00 34.12 O ATOM 1081 CB VAL A 75 9.079 -2.546 -4.274 1.00 34.32 C ATOM 1082 CG1 VAL A 75 7.577 -2.736 -4.047 1.00 12.41 C ATOM 1083 CG2 VAL A 75 9.831 -3.728 -3.641 1.00 74.23 C ATOM 0 H VAL A 75 11.299 -1.524 -5.365 1.00 61.15 H new ATOM 0 HA VAL A 75 8.965 -3.146 -6.320 1.00 0.30 H new ATOM 0 HB VAL A 75 9.398 -1.626 -3.783 1.00 34.32 H new ATOM 0 HG11 VAL A 75 7.385 -2.880 -2.984 1.00 12.41 H new ATOM 0 HG12 VAL A 75 7.042 -1.853 -4.396 1.00 12.41 H new ATOM 0 HG13 VAL A 75 7.233 -3.611 -4.599 1.00 12.41 H new ATOM 0 HG21 VAL A 75 9.540 -3.826 -2.595 1.00 74.23 H new ATOM 0 HG22 VAL A 75 9.582 -4.645 -4.175 1.00 74.23 H new ATOM 0 HG23 VAL A 75 10.905 -3.552 -3.704 1.00 74.23 H new ATOM 1093 N SER A 76 7.805 -0.969 -7.000 1.00 71.52 N ATOM 1094 CA SER A 76 7.245 0.236 -7.605 1.00 24.54 C ATOM 1095 C SER A 76 5.892 0.540 -6.975 1.00 24.20 C ATOM 1096 O SER A 76 4.977 -0.281 -7.058 1.00 44.14 O ATOM 1097 CB SER A 76 7.120 0.058 -9.118 1.00 23.23 C ATOM 1098 OG SER A 76 8.400 -0.021 -9.722 1.00 14.13 O ATOM 0 H SER A 76 7.242 -1.803 -7.163 1.00 71.52 H new ATOM 0 HA SER A 76 7.911 1.079 -7.421 1.00 24.54 H new ATOM 0 HB2 SER A 76 6.553 -0.847 -9.337 1.00 23.23 H new ATOM 0 HB3 SER A 76 6.563 0.893 -9.542 1.00 23.23 H new ATOM 0 HG SER A 76 8.298 -0.136 -10.690 1.00 14.13 H new ATOM 1103 N MET A 77 5.765 1.700 -6.321 1.00 24.30 N ATOM 1104 CA MET A 77 4.470 2.142 -5.816 1.00 24.24 C ATOM 1105 C MET A 77 3.643 2.821 -6.909 1.00 30.50 C ATOM 1106 O MET A 77 4.181 3.533 -7.762 1.00 4.03 O ATOM 1107 CB MET A 77 4.578 3.046 -4.585 1.00 41.11 C ATOM 1108 CG MET A 77 5.504 4.245 -4.737 1.00 45.11 C ATOM 1109 SD MET A 77 6.734 4.446 -3.423 1.00 53.41 S ATOM 1110 CE MET A 77 5.624 4.589 -1.996 1.00 71.54 C ATOM 0 H MET A 77 6.537 2.340 -6.133 1.00 24.30 H new ATOM 0 HA MET A 77 3.953 1.237 -5.498 1.00 24.24 H new ATOM 0 HB2 MET A 77 3.581 3.407 -4.332 1.00 41.11 H new ATOM 0 HB3 MET A 77 4.923 2.446 -3.743 1.00 41.11 H new ATOM 0 HG2 MET A 77 6.026 4.161 -5.690 1.00 45.11 H new ATOM 0 HG3 MET A 77 4.896 5.149 -4.784 1.00 45.11 H new ATOM 0 HE1 MET A 77 6.148 5.078 -1.175 1.00 71.54 H new ATOM 0 HE2 MET A 77 4.750 5.180 -2.272 1.00 71.54 H new ATOM 0 HE3 MET A 77 5.305 3.595 -1.682 1.00 71.54 H new ATOM 1118 N HIS A 78 2.323 2.662 -6.814 1.00 22.23 N ATOM 1119 CA HIS A 78 1.285 3.354 -7.572 1.00 24.20 C ATOM 1120 C HIS A 78 0.193 3.754 -6.579 1.00 65.52 C ATOM 1121 O HIS A 78 0.052 3.087 -5.552 1.00 30.13 O ATOM 1122 CB HIS A 78 0.679 2.412 -8.630 1.00 54.14 C ATOM 1123 CG HIS A 78 1.674 1.732 -9.529 1.00 70.11 C ATOM 1124 ND1 HIS A 78 1.915 2.072 -10.840 1.00 14.30 N ATOM 1125 CD2 HIS A 78 2.491 0.680 -9.195 1.00 12.02 C ATOM 1126 CE1 HIS A 78 2.881 1.258 -11.287 1.00 14.11 C ATOM 1127 NE2 HIS A 78 3.234 0.367 -10.340 1.00 5.10 N ATOM 0 H HIS A 78 1.923 1.995 -6.154 1.00 22.23 H new ATOM 0 HA HIS A 78 1.703 4.223 -8.080 1.00 24.20 H new ATOM 0 HB2 HIS A 78 0.093 1.647 -8.119 1.00 54.14 H new ATOM 0 HB3 HIS A 78 -0.013 2.984 -9.248 1.00 54.14 H new ATOM 0 HD2 HIS A 78 2.549 0.189 -8.235 1.00 12.02 H new ATOM 0 HE1 HIS A 78 3.318 1.309 -12.273 1.00 14.11 H new ATOM 0 HE2 HIS A 78 3.911 -0.389 -10.438 1.00 5.10 H new ATOM 1134 N TYR A 79 -0.628 4.764 -6.868 1.00 50.13 N ATOM 1135 CA TYR A 79 -1.916 4.888 -6.206 1.00 5.13 C ATOM 1136 C TYR A 79 -2.873 3.809 -6.715 1.00 25.43 C ATOM 1137 O TYR A 79 -2.772 3.393 -7.872 1.00 14.23 O ATOM 1138 CB TYR A 79 -2.477 6.299 -6.423 1.00 11.40 C ATOM 1139 CG TYR A 79 -1.588 7.423 -5.914 1.00 53.21 C ATOM 1140 CD1 TYR A 79 -0.951 7.296 -4.670 1.00 25.50 C ATOM 1141 CD2 TYR A 79 -1.436 8.617 -6.643 1.00 62.31 C ATOM 1142 CE1 TYR A 79 -0.287 8.378 -4.084 1.00 43.24 C ATOM 1143 CE2 TYR A 79 -0.693 9.684 -6.103 1.00 22.10 C ATOM 1144 CZ TYR A 79 -0.133 9.579 -4.811 1.00 25.42 C ATOM 1145 OH TYR A 79 0.523 10.617 -4.237 1.00 51.30 O ATOM 0 H TYR A 79 -0.423 5.497 -7.548 1.00 50.13 H new ATOM 0 HA TYR A 79 -1.794 4.739 -5.133 1.00 5.13 H new ATOM 0 HB2 TYR A 79 -2.650 6.446 -7.489 1.00 11.40 H new ATOM 0 HB3 TYR A 79 -3.446 6.369 -5.930 1.00 11.40 H new ATOM 0 HD1 TYR A 79 -0.974 6.346 -4.156 1.00 25.50 H new ATOM 0 HD2 TYR A 79 -1.890 8.715 -7.618 1.00 62.31 H new ATOM 0 HE1 TYR A 79 0.106 8.296 -3.081 1.00 43.24 H new ATOM 0 HE2 TYR A 79 -0.551 10.586 -6.679 1.00 22.10 H new ATOM 0 HH TYR A 79 0.549 11.373 -4.861 1.00 51.30 H new ATOM 1154 N SER A 80 -3.814 3.384 -5.871 1.00 1.30 N ATOM 1155 CA SER A 80 -4.873 2.439 -6.215 1.00 61.14 C ATOM 1156 C SER A 80 -6.074 2.680 -5.296 1.00 14.32 C ATOM 1157 O SER A 80 -6.591 1.756 -4.665 1.00 45.52 O ATOM 1158 CB SER A 80 -4.321 1.007 -6.121 1.00 51.51 C ATOM 1159 OG SER A 80 -4.442 0.297 -7.346 1.00 53.54 O ATOM 0 H SER A 80 -3.860 3.698 -4.902 1.00 1.30 H new ATOM 0 HA SER A 80 -5.216 2.584 -7.240 1.00 61.14 H new ATOM 0 HB2 SER A 80 -3.272 1.044 -5.828 1.00 51.51 H new ATOM 0 HB3 SER A 80 -4.852 0.467 -5.337 1.00 51.51 H new ATOM 0 HG SER A 80 -3.573 -0.084 -7.590 1.00 53.54 H new ATOM 1164 N ASP A 81 -6.451 3.953 -5.132 1.00 70.11 N ATOM 1165 CA ASP A 81 -7.591 4.308 -4.291 1.00 33.44 C ATOM 1166 C ASP A 81 -8.878 3.670 -4.838 1.00 44.21 C ATOM 1167 O ASP A 81 -8.948 3.355 -6.030 1.00 54.13 O ATOM 1168 CB ASP A 81 -7.723 5.825 -4.139 1.00 5.21 C ATOM 1169 CG ASP A 81 -8.664 6.443 -5.169 1.00 22.42 C ATOM 1170 OD1 ASP A 81 -8.169 6.734 -6.283 1.00 42.42 O ATOM 1171 OD2 ASP A 81 -9.851 6.629 -4.822 1.00 31.31 O ATOM 0 H ASP A 81 -5.984 4.748 -5.569 1.00 70.11 H new ATOM 0 HA ASP A 81 -7.419 3.908 -3.292 1.00 33.44 H new ATOM 0 HB2 ASP A 81 -8.087 6.055 -3.137 1.00 5.21 H new ATOM 0 HB3 ASP A 81 -6.738 6.282 -4.233 1.00 5.21 H new ATOM 1175 N PRO A 82 -9.893 3.456 -3.987 1.00 65.43 N ATOM 1176 CA PRO A 82 -11.044 2.649 -4.360 1.00 72.12 C ATOM 1177 C PRO A 82 -12.015 3.355 -5.306 1.00 44.45 C ATOM 1178 O PRO A 82 -12.852 2.683 -5.912 1.00 13.10 O ATOM 1179 CB PRO A 82 -11.717 2.308 -3.038 1.00 73.34 C ATOM 1180 CG PRO A 82 -11.396 3.491 -2.137 1.00 23.00 C ATOM 1181 CD PRO A 82 -10.013 3.924 -2.611 1.00 11.52 C ATOM 0 HA PRO A 82 -10.727 1.770 -4.921 1.00 72.12 H new ATOM 0 HB2 PRO A 82 -12.793 2.181 -3.160 1.00 73.34 H new ATOM 0 HB3 PRO A 82 -11.331 1.376 -2.624 1.00 73.34 H new ATOM 0 HG2 PRO A 82 -12.128 4.291 -2.247 1.00 23.00 H new ATOM 0 HG3 PRO A 82 -11.390 3.206 -1.085 1.00 23.00 H new ATOM 0 HD2 PRO A 82 -9.904 5.007 -2.557 1.00 11.52 H new ATOM 0 HD3 PRO A 82 -9.233 3.493 -1.983 1.00 11.52 H new ATOM 1186 N LYS A 83 -11.874 4.676 -5.424 1.00 2.41 N ATOM 1187 CA LYS A 83 -12.725 5.657 -6.097 1.00 41.22 C ATOM 1188 C LYS A 83 -14.169 5.657 -5.588 1.00 12.13 C ATOM 1189 O LYS A 83 -14.591 4.719 -4.903 1.00 72.42 O ATOM 1190 CB LYS A 83 -12.571 5.575 -7.633 1.00 65.11 C ATOM 1191 CG LYS A 83 -13.375 4.476 -8.351 1.00 30.03 C ATOM 1192 CD LYS A 83 -13.608 4.742 -9.844 1.00 43.41 C ATOM 1193 CE LYS A 83 -14.504 5.966 -10.085 1.00 44.11 C ATOM 1194 NZ LYS A 83 -15.314 5.844 -11.314 1.00 64.01 N ATOM 0 H LYS A 83 -11.068 5.136 -5.001 1.00 2.41 H new ATOM 0 HA LYS A 83 -12.366 6.649 -5.821 1.00 41.22 H new ATOM 0 HB2 LYS A 83 -12.858 6.538 -8.056 1.00 65.11 H new ATOM 0 HB3 LYS A 83 -11.515 5.429 -7.862 1.00 65.11 H new ATOM 0 HG2 LYS A 83 -12.851 3.527 -8.240 1.00 30.03 H new ATOM 0 HG3 LYS A 83 -14.341 4.367 -7.858 1.00 30.03 H new ATOM 0 HD2 LYS A 83 -12.648 4.894 -10.338 1.00 43.41 H new ATOM 0 HD3 LYS A 83 -14.066 3.864 -10.300 1.00 43.41 H new ATOM 0 HE2 LYS A 83 -15.166 6.101 -9.230 1.00 44.11 H new ATOM 0 HE3 LYS A 83 -13.883 6.859 -10.151 1.00 44.11 H new ATOM 0 HZ1 LYS A 83 -15.900 6.695 -11.430 1.00 64.01 H new ATOM 0 HZ2 LYS A 83 -14.685 5.743 -12.136 1.00 64.01 H new ATOM 0 HZ3 LYS A 83 -15.928 5.008 -11.243 1.00 64.01 H new ATOM 1204 N PRO A 84 -14.970 6.690 -5.904 1.00 65.14 N ATOM 1205 CA PRO A 84 -16.408 6.587 -5.773 1.00 61.35 C ATOM 1206 C PRO A 84 -16.889 5.570 -6.817 1.00 50.21 C ATOM 1207 O PRO A 84 -16.966 5.859 -8.008 1.00 71.04 O ATOM 1208 CB PRO A 84 -16.952 8.006 -5.951 1.00 33.01 C ATOM 1209 CG PRO A 84 -15.904 8.695 -6.816 1.00 1.44 C ATOM 1210 CD PRO A 84 -14.602 8.015 -6.393 1.00 31.23 C ATOM 0 HA PRO A 84 -16.761 6.222 -4.808 1.00 61.35 H new ATOM 0 HB2 PRO A 84 -17.929 8.002 -6.435 1.00 33.01 H new ATOM 0 HB3 PRO A 84 -17.073 8.511 -4.992 1.00 33.01 H new ATOM 0 HG2 PRO A 84 -16.104 8.556 -7.878 1.00 1.44 H new ATOM 0 HG3 PRO A 84 -15.875 9.769 -6.635 1.00 1.44 H new ATOM 0 HD2 PRO A 84 -13.912 7.941 -7.233 1.00 31.23 H new ATOM 0 HD3 PRO A 84 -14.098 8.590 -5.616 1.00 31.23 H new ATOM 1215 N LYS A 85 -17.116 4.331 -6.383 1.00 73.15 N ATOM 1216 CA LYS A 85 -17.441 3.158 -7.200 1.00 5.12 C ATOM 1217 C LYS A 85 -18.839 2.684 -6.807 1.00 45.24 C ATOM 1218 O LYS A 85 -19.088 1.508 -6.523 1.00 12.24 O ATOM 1219 CB LYS A 85 -16.341 2.103 -6.994 1.00 54.54 C ATOM 1220 CG LYS A 85 -16.337 0.993 -8.061 1.00 2.33 C ATOM 1221 CD LYS A 85 -15.170 0.017 -7.843 1.00 50.25 C ATOM 1222 CE LYS A 85 -13.819 0.602 -8.278 1.00 25.44 C ATOM 1223 NZ LYS A 85 -13.639 0.632 -9.748 1.00 31.14 N ATOM 0 H LYS A 85 -17.076 4.103 -5.390 1.00 73.15 H new ATOM 0 HA LYS A 85 -17.465 3.379 -8.267 1.00 5.12 H new ATOM 0 HB2 LYS A 85 -15.370 2.599 -6.995 1.00 54.54 H new ATOM 0 HB3 LYS A 85 -16.466 1.649 -6.011 1.00 54.54 H new ATOM 0 HG2 LYS A 85 -17.281 0.449 -8.027 1.00 2.33 H new ATOM 0 HG3 LYS A 85 -16.261 1.439 -9.053 1.00 2.33 H new ATOM 0 HD2 LYS A 85 -15.121 -0.255 -6.788 1.00 50.25 H new ATOM 0 HD3 LYS A 85 -15.360 -0.900 -8.400 1.00 50.25 H new ATOM 0 HE2 LYS A 85 -13.727 1.615 -7.887 1.00 25.44 H new ATOM 0 HE3 LYS A 85 -13.016 0.014 -7.833 1.00 25.44 H new ATOM 0 HZ1 LYS A 85 -12.709 1.037 -9.976 1.00 31.14 H new ATOM 0 HZ2 LYS A 85 -13.697 -0.336 -10.125 1.00 31.14 H new ATOM 0 HZ3 LYS A 85 -14.385 1.216 -10.177 1.00 31.14 H new ATOM 1233 N ILE A 86 -19.739 3.643 -6.650 1.00 5.14 N ATOM 1234 CA ILE A 86 -21.132 3.420 -6.310 1.00 73.01 C ATOM 1235 C ILE A 86 -21.891 3.402 -7.637 1.00 71.15 C ATOM 1236 O ILE A 86 -21.433 3.979 -8.628 1.00 23.04 O ATOM 1237 CB ILE A 86 -21.638 4.529 -5.354 1.00 51.54 C ATOM 1238 CG1 ILE A 86 -20.558 5.019 -4.355 1.00 62.44 C ATOM 1239 CG2 ILE A 86 -22.852 4.027 -4.551 1.00 64.15 C ATOM 1240 CD1 ILE A 86 -19.892 6.320 -4.816 1.00 4.21 C ATOM 0 H ILE A 86 -19.510 4.631 -6.760 1.00 5.14 H new ATOM 0 HA ILE A 86 -21.282 2.480 -5.778 1.00 73.01 H new ATOM 0 HB ILE A 86 -21.910 5.371 -5.990 1.00 51.54 H new ATOM 0 HG12 ILE A 86 -21.013 5.173 -3.377 1.00 62.44 H new ATOM 0 HG13 ILE A 86 -19.799 4.246 -4.235 1.00 62.44 H new ATOM 0 HG21 ILE A 86 -23.198 4.816 -3.883 1.00 64.15 H new ATOM 0 HG22 ILE A 86 -23.654 3.754 -5.237 1.00 64.15 H new ATOM 0 HG23 ILE A 86 -22.564 3.155 -3.964 1.00 64.15 H new ATOM 0 HD11 ILE A 86 -19.143 6.624 -4.085 1.00 4.21 H new ATOM 0 HD12 ILE A 86 -19.413 6.161 -5.782 1.00 4.21 H new ATOM 0 HD13 ILE A 86 -20.646 7.101 -4.910 1.00 4.21 H new ATOM 1251 N ASN A 87 -23.066 2.768 -7.673 1.00 25.30 N ATOM 1252 CA ASN A 87 -23.941 2.859 -8.845 1.00 53.34 C ATOM 1253 C ASN A 87 -24.804 4.118 -8.852 1.00 73.03 C ATOM 1254 O ASN A 87 -25.477 4.408 -9.836 1.00 23.11 O ATOM 1255 CB ASN A 87 -24.797 1.598 -8.994 1.00 21.01 C ATOM 1256 CG ASN A 87 -26.227 1.726 -8.484 1.00 61.35 C ATOM 1257 OD1 ASN A 87 -27.156 1.804 -9.280 1.00 34.24 O ATOM 1258 ND2 ASN A 87 -26.445 1.741 -7.183 1.00 5.50 N ATOM 0 H ASN A 87 -23.430 2.193 -6.914 1.00 25.30 H new ATOM 0 HA ASN A 87 -23.286 2.935 -9.713 1.00 53.34 H new ATOM 0 HB2 ASN A 87 -24.827 1.320 -10.047 1.00 21.01 H new ATOM 0 HB3 ASN A 87 -24.309 0.781 -8.462 1.00 21.01 H new ATOM 0 HD21 ASN A 87 -27.397 1.818 -6.826 1.00 5.50 H new ATOM 0 HD22 ASN A 87 -25.661 1.675 -6.534 1.00 5.50 H new ATOM 1264 N GLU A 88 -24.738 4.883 -7.776 1.00 45.35 N ATOM 1265 CA GLU A 88 -25.518 6.074 -7.471 1.00 3.51 C ATOM 1266 C GLU A 88 -24.561 7.044 -6.800 1.00 73.32 C ATOM 1267 O GLU A 88 -24.140 6.831 -5.666 1.00 41.53 O ATOM 1268 CB GLU A 88 -26.678 5.737 -6.528 1.00 10.23 C ATOM 1269 CG GLU A 88 -27.798 4.906 -7.165 1.00 72.14 C ATOM 1270 CD GLU A 88 -28.511 4.015 -6.146 1.00 10.24 C ATOM 1271 OE1 GLU A 88 -28.543 4.336 -4.935 1.00 70.21 O ATOM 1272 OE2 GLU A 88 -29.002 2.940 -6.554 1.00 64.25 O ATOM 0 H GLU A 88 -24.080 4.669 -7.027 1.00 45.35 H new ATOM 0 HA GLU A 88 -25.954 6.500 -8.375 1.00 3.51 H new ATOM 0 HB2 GLU A 88 -26.284 5.194 -5.669 1.00 10.23 H new ATOM 0 HB3 GLU A 88 -27.103 6.667 -6.150 1.00 10.23 H new ATOM 0 HG2 GLU A 88 -28.523 5.574 -7.631 1.00 72.14 H new ATOM 0 HG3 GLU A 88 -27.381 4.285 -7.958 1.00 72.14 H new ATOM 1277 N ASP A 89 -24.157 8.061 -7.548 1.00 14.23 N ATOM 1278 CA ASP A 89 -23.060 8.967 -7.192 1.00 22.21 C ATOM 1279 C ASP A 89 -23.533 10.424 -7.232 1.00 50.23 C ATOM 1280 O ASP A 89 -22.755 11.368 -7.097 1.00 41.12 O ATOM 1281 CB ASP A 89 -21.925 8.713 -8.190 1.00 71.22 C ATOM 1282 CG ASP A 89 -20.531 8.644 -7.565 1.00 50.41 C ATOM 1283 OD1 ASP A 89 -20.263 9.309 -6.539 1.00 3.42 O ATOM 1284 OD2 ASP A 89 -19.683 7.963 -8.189 1.00 21.20 O ATOM 0 H ASP A 89 -24.590 8.290 -8.443 1.00 14.23 H new ATOM 0 HA ASP A 89 -22.711 8.782 -6.176 1.00 22.21 H new ATOM 0 HB2 ASP A 89 -22.121 7.777 -8.713 1.00 71.22 H new ATOM 0 HB3 ASP A 89 -21.934 9.504 -8.939 1.00 71.22 H new ATOM 1288 N TRP A 90 -24.824 10.601 -7.497 1.00 64.43 N ATOM 1289 CA TRP A 90 -25.572 11.839 -7.653 1.00 52.44 C ATOM 1290 C TRP A 90 -26.984 11.696 -7.050 1.00 23.30 C ATOM 1291 O TRP A 90 -27.843 12.543 -7.286 1.00 61.25 O ATOM 1292 CB TRP A 90 -25.608 12.193 -9.149 1.00 2.33 C ATOM 1293 CG TRP A 90 -26.012 11.090 -10.086 1.00 74.14 C ATOM 1294 CD1 TRP A 90 -25.178 10.174 -10.630 1.00 21.22 C ATOM 1295 CD2 TRP A 90 -27.345 10.759 -10.589 1.00 23.30 C ATOM 1296 NE1 TRP A 90 -25.891 9.328 -11.450 1.00 4.11 N ATOM 1297 CE2 TRP A 90 -27.236 9.628 -11.450 1.00 25.21 C ATOM 1298 CE3 TRP A 90 -28.638 11.287 -10.395 1.00 34.22 C ATOM 1299 CZ2 TRP A 90 -28.346 9.059 -12.092 1.00 54.55 C ATOM 1300 CZ3 TRP A 90 -29.762 10.724 -11.030 1.00 41.35 C ATOM 1301 CH2 TRP A 90 -29.620 9.608 -11.874 1.00 11.52 C ATOM 0 H TRP A 90 -25.434 9.793 -7.620 1.00 64.43 H new ATOM 0 HA TRP A 90 -25.088 12.652 -7.112 1.00 52.44 H new ATOM 0 HB2 TRP A 90 -26.296 13.027 -9.286 1.00 2.33 H new ATOM 0 HB3 TRP A 90 -24.618 12.544 -9.441 1.00 2.33 H new ATOM 0 HD1 TRP A 90 -24.115 10.115 -10.449 1.00 21.22 H new ATOM 0 HE1 TRP A 90 -25.474 8.571 -11.992 1.00 4.11 H new ATOM 0 HE3 TRP A 90 -28.769 12.140 -9.746 1.00 34.22 H new ATOM 0 HZ2 TRP A 90 -28.222 8.209 -12.746 1.00 54.55 H new ATOM 0 HZ3 TRP A 90 -30.740 11.152 -10.868 1.00 41.35 H new ATOM 0 HH2 TRP A 90 -30.486 9.175 -12.352 1.00 11.52 H new ATOM 1311 N LEU A 91 -27.232 10.601 -6.315 1.00 53.25 N ATOM 1312 CA LEU A 91 -28.408 10.429 -5.462 1.00 11.21 C ATOM 1313 C LEU A 91 -28.107 11.055 -4.104 1.00 61.25 C ATOM 1314 O LEU A 91 -28.844 10.798 -3.129 1.00 2.54 O ATOM 1315 CB LEU A 91 -28.781 8.937 -5.320 1.00 50.54 C ATOM 1316 CG LEU A 91 -29.558 8.315 -6.499 1.00 44.53 C ATOM 1317 CD1 LEU A 91 -30.985 8.870 -6.579 1.00 10.12 C ATOM 1318 CD2 LEU A 91 -28.880 8.493 -7.864 1.00 52.45 C ATOM 0 H LEU A 91 -26.605 9.797 -6.300 1.00 53.25 H new ATOM 0 HA LEU A 91 -29.267 10.925 -5.914 1.00 11.21 H new ATOM 0 HB2 LEU A 91 -27.864 8.367 -5.175 1.00 50.54 H new ATOM 0 HB3 LEU A 91 -29.377 8.817 -4.415 1.00 50.54 H new ATOM 0 HG LEU A 91 -29.576 7.247 -6.284 1.00 44.53 H new ATOM 0 HD11 LEU A 91 -31.507 8.413 -7.420 1.00 10.12 H new ATOM 0 HD12 LEU A 91 -31.516 8.642 -5.655 1.00 10.12 H new ATOM 0 HD13 LEU A 91 -30.948 9.950 -6.719 1.00 10.12 H new ATOM 0 HD21 LEU A 91 -29.491 8.027 -8.637 1.00 52.45 H new ATOM 0 HD22 LEU A 91 -28.770 9.556 -8.080 1.00 52.45 H new ATOM 0 HD23 LEU A 91 -27.897 8.023 -7.846 1.00 52.45 H new TER 1329 LEU A 91