USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 670 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 15 ASN : amide:sc= -0.338 K(o=0.3,f=-3.8!) USER MOD Set 1.2: A 84 ASN : amide:sc= 0.64 K(o=0.3,f=-2.1) USER MOD Set 2.1: A 52 SER OG : rot -111:sc= 0.701 USER MOD Set 2.2: A 75 TYR OH : rot 30:sc= 0.637 USER MOD Set 3.1: A 64 LYS NZ :NH3+ -161:sc= 1.91 (180deg=-0.36) USER MOD Set 3.2: A 65 ASN : amide:sc= 1.08 K(o=3,f=-12!) USER MOD Single : A 17 HIS : no HE2:sc= -0.0374! C(o=-0.037!,f=-5.7!) USER MOD Single : A 21 TYR OH : rot 100:sc= 0.572 USER MOD Single : A 22 GLN : amide:sc= -0.67 K(o=-0.67,f=-1.8) USER MOD Single : A 23 GLN : amide:sc= 0.775 K(o=0.77,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 37 GLN : amide:sc= -0.827 K(o=-0.83,f=-9.8!) USER MOD Single : A 38 GLN : amide:sc= -0.0108 K(o=-0.011,f=-0.52) USER MOD Single : A 40 HIS : no HE2:sc= -0.897! C(o=-0.9!,f=-7.3!) USER MOD Single : A 43 SER OG : rot 25:sc= 0.917 USER MOD Single : A 44 ASN : amide:sc= -0.367 K(o=-0.37,f=-9.3!) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 56 MET CE :methyl 134:sc= -0.527 (180deg=-1.43!) USER MOD Single : A 60 HIS : no HE2:sc= 0.926 K(o=0.93,f=-3.4!) USER MOD Single : A 67 TYR OH : rot 150:sc= 0 USER MOD Single : A 70 THR OG1 : rot -61:sc= 1.05 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 87 MET CE :methyl -176:sc= -2.23 (180deg=-2.31) USER MOD Single : A 89 SER OG : rot 78:sc= 1.21 USER MOD Single : A 91 SER OG : rot 99:sc= 0.432 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -2.792 4.795 -0.263 1.00 55.24 N ATOM 2 CA ASP A 14 -1.607 4.258 -0.931 1.00 45.52 C ATOM 3 C ASP A 14 -1.859 4.392 -2.429 1.00 34.24 C ATOM 4 O ASP A 14 -2.925 3.992 -2.908 1.00 62.24 O ATOM 5 CB ASP A 14 -1.423 2.786 -0.544 1.00 62.23 C ATOM 6 CG ASP A 14 -0.127 2.180 -1.044 1.00 10.10 C ATOM 7 OD1 ASP A 14 0.316 1.176 -0.476 1.00 54.21 O ATOM 8 OD2 ASP A 14 0.445 2.681 -2.023 1.00 34.31 O1- ATOM 0 HA ASP A 14 -0.702 4.792 -0.642 1.00 45.52 H new ATOM 0 HB2 ASP A 14 -1.459 2.698 0.542 1.00 62.23 H new ATOM 0 HB3 ASP A 14 -2.259 2.209 -0.939 1.00 62.23 H new ATOM 13 N ASN A 15 -0.910 4.933 -3.169 1.00 22.24 N ATOM 14 CA ASN A 15 -1.134 5.258 -4.577 1.00 34.51 C ATOM 15 C ASN A 15 0.073 4.910 -5.433 1.00 4.15 C ATOM 16 O ASN A 15 1.098 5.561 -5.323 1.00 11.24 O ATOM 17 CB ASN A 15 -1.430 6.774 -4.748 1.00 43.12 C ATOM 18 CG ASN A 15 -2.732 7.243 -4.118 1.00 1.32 C ATOM 19 OD1 ASN A 15 -2.786 7.612 -2.932 1.00 43.21 O ATOM 20 ND2 ASN A 15 -3.772 7.294 -4.898 1.00 51.14 N ATOM 0 H ASN A 15 0.024 5.159 -2.826 1.00 22.24 H new ATOM 0 HA ASN A 15 -1.989 4.666 -4.904 1.00 34.51 H new ATOM 0 HB2 ASN A 15 -0.607 7.342 -4.314 1.00 43.12 H new ATOM 0 HB3 ASN A 15 -1.452 7.008 -5.812 1.00 43.12 H new ATOM 0 HD21 ASN A 15 -4.661 7.644 -4.540 1.00 51.14 H new ATOM 0 HD22 ASN A 15 -3.698 6.984 -5.867 1.00 51.14 H new ATOM 27 N ARG A 16 -0.022 3.864 -6.264 1.00 34.20 N ATOM 28 CA ARG A 16 1.082 3.578 -7.188 1.00 43.44 C ATOM 29 C ARG A 16 0.603 3.877 -8.621 1.00 35.13 C ATOM 30 O ARG A 16 0.880 4.941 -9.151 1.00 24.12 O ATOM 31 CB ARG A 16 1.608 2.123 -7.077 1.00 71.11 C ATOM 32 CG ARG A 16 1.769 1.567 -5.657 1.00 1.31 C ATOM 33 CD ARG A 16 0.428 1.079 -5.081 1.00 73.02 C ATOM 34 NE ARG A 16 0.551 0.618 -3.698 1.00 3.24 N ATOM 35 CZ ARG A 16 0.487 -0.660 -3.299 1.00 45.13 C ATOM 36 NH1 ARG A 16 0.372 -1.616 -4.192 1.00 20.44 N1+ ATOM 37 NH2 ARG A 16 0.528 -0.956 -2.010 1.00 32.44 N ATOM 0 H ARG A 16 -0.816 3.226 -6.317 1.00 34.20 H new ATOM 0 HA ARG A 16 1.924 4.217 -6.921 1.00 43.44 H new ATOM 0 HB2 ARG A 16 0.929 1.470 -7.625 1.00 71.11 H new ATOM 0 HB3 ARG A 16 2.575 2.069 -7.577 1.00 71.11 H new ATOM 0 HG2 ARG A 16 2.482 0.743 -5.668 1.00 1.31 H new ATOM 0 HG3 ARG A 16 2.184 2.339 -5.009 1.00 1.31 H new ATOM 0 HD2 ARG A 16 -0.301 1.888 -5.128 1.00 73.02 H new ATOM 0 HD3 ARG A 16 0.044 0.268 -5.699 1.00 73.02 H new ATOM 0 HE ARG A 16 0.697 1.327 -2.979 1.00 3.24 H new ATOM 0 HH11 ARG A 16 0.332 -1.385 -5.185 1.00 20.44 H new ATOM 0 HH12 ARG A 16 0.323 -2.590 -3.893 1.00 20.44 H new ATOM 0 HH21 ARG A 16 0.608 -0.211 -1.318 1.00 32.44 H new ATOM 0 HH22 ARG A 16 0.479 -1.929 -1.708 1.00 32.44 H new ATOM 51 N HIS A 17 -0.206 2.977 -9.208 1.00 21.23 N ATOM 52 CA HIS A 17 -0.900 3.282 -10.482 1.00 63.34 C ATOM 53 C HIS A 17 -2.085 4.169 -10.165 1.00 40.15 C ATOM 54 O HIS A 17 -2.502 5.024 -10.938 1.00 52.12 O ATOM 55 CB HIS A 17 -1.336 2.008 -11.230 1.00 61.43 C ATOM 56 CG HIS A 17 -0.238 1.347 -12.029 1.00 64.41 C ATOM 57 ND1 HIS A 17 0.673 0.440 -11.524 1.00 34.44 N ATOM 58 CD2 HIS A 17 0.069 1.479 -13.343 1.00 0.43 C ATOM 59 CE1 HIS A 17 1.477 0.063 -12.514 1.00 45.12 C ATOM 60 NE2 HIS A 17 1.154 0.663 -13.647 1.00 21.53 N ATOM 0 H HIS A 17 -0.396 2.048 -8.833 1.00 21.23 H new ATOM 0 HA HIS A 17 -0.212 3.796 -11.153 1.00 63.34 H new ATOM 0 HB2 HIS A 17 -1.724 1.291 -10.506 1.00 61.43 H new ATOM 0 HB3 HIS A 17 -2.157 2.259 -11.902 1.00 61.43 H new ATOM 0 HD1 HIS A 17 0.721 0.115 -10.558 1.00 34.44 H new ATOM 0 HD2 HIS A 17 -0.448 2.118 -14.044 1.00 0.43 H new ATOM 0 HE1 HIS A 17 2.288 -0.642 -12.406 1.00 45.12 H new ATOM 68 N ALA A 18 -2.563 3.971 -8.954 1.00 41.45 N ATOM 69 CA ALA A 18 -3.600 4.756 -8.299 1.00 12.45 C ATOM 70 C ALA A 18 -3.222 6.231 -8.175 1.00 42.35 C ATOM 71 O ALA A 18 -4.023 7.007 -7.734 1.00 63.04 O ATOM 72 CB ALA A 18 -4.017 4.156 -6.962 1.00 64.00 C ATOM 0 H ALA A 18 -2.221 3.214 -8.362 1.00 41.45 H new ATOM 0 HA ALA A 18 -4.475 4.714 -8.948 1.00 12.45 H new ATOM 0 HB1 ALA A 18 -4.792 4.776 -6.511 1.00 64.00 H new ATOM 0 HB2 ALA A 18 -4.403 3.149 -7.120 1.00 64.00 H new ATOM 0 HB3 ALA A 18 -3.154 4.113 -6.297 1.00 64.00 H new ATOM 78 N ALA A 19 -1.948 6.572 -8.417 1.00 61.24 N ATOM 79 CA ALA A 19 -1.433 7.967 -8.346 1.00 33.51 C ATOM 80 C ALA A 19 -2.379 9.024 -8.975 1.00 42.02 C ATOM 81 O ALA A 19 -2.368 10.161 -8.549 1.00 43.41 O ATOM 82 CB ALA A 19 -0.059 8.053 -8.991 1.00 72.30 C ATOM 0 H ALA A 19 -1.233 5.890 -8.670 1.00 61.24 H new ATOM 0 HA ALA A 19 -1.370 8.208 -7.285 1.00 33.51 H new ATOM 0 HB1 ALA A 19 0.307 9.078 -8.933 1.00 72.30 H new ATOM 0 HB2 ALA A 19 0.631 7.391 -8.467 1.00 72.30 H new ATOM 0 HB3 ALA A 19 -0.128 7.751 -10.036 1.00 72.30 H new ATOM 88 N ASP A 20 -3.198 8.634 -9.968 1.00 71.00 N ATOM 89 CA ASP A 20 -4.222 9.556 -10.552 1.00 14.03 C ATOM 90 C ASP A 20 -5.155 10.043 -9.443 1.00 23.52 C ATOM 91 O ASP A 20 -5.417 11.233 -9.311 1.00 41.24 O ATOM 92 CB ASP A 20 -5.049 8.839 -11.638 1.00 12.13 C ATOM 93 CG ASP A 20 -6.108 9.728 -12.321 1.00 5.44 C ATOM 94 OD1 ASP A 20 -5.768 10.474 -13.248 1.00 23.03 O ATOM 95 OD2 ASP A 20 -7.306 9.624 -11.987 1.00 62.24 O1- ATOM 0 H ASP A 20 -3.182 7.704 -10.386 1.00 71.00 H new ATOM 0 HA ASP A 20 -3.709 10.402 -11.008 1.00 14.03 H new ATOM 0 HB2 ASP A 20 -4.371 8.453 -12.399 1.00 12.13 H new ATOM 0 HB3 ASP A 20 -5.548 7.980 -11.190 1.00 12.13 H new ATOM 100 N TYR A 21 -5.539 9.100 -8.566 1.00 44.32 N ATOM 101 CA TYR A 21 -6.438 9.323 -7.424 1.00 33.43 C ATOM 102 C TYR A 21 -5.875 10.379 -6.471 1.00 71.44 C ATOM 103 O TYR A 21 -6.612 10.984 -5.693 1.00 33.21 O ATOM 104 CB TYR A 21 -6.689 7.997 -6.673 1.00 40.53 C ATOM 105 CG TYR A 21 -7.663 8.094 -5.525 1.00 61.03 C ATOM 106 CD1 TYR A 21 -9.021 7.970 -5.730 1.00 32.42 C ATOM 107 CD2 TYR A 21 -7.225 8.320 -4.242 1.00 1.12 C ATOM 108 CE1 TYR A 21 -9.908 8.078 -4.688 1.00 11.41 C ATOM 109 CE2 TYR A 21 -8.106 8.422 -3.205 1.00 72.01 C ATOM 110 CZ TYR A 21 -9.436 8.304 -3.429 1.00 12.24 C ATOM 111 OH TYR A 21 -10.300 8.447 -2.389 1.00 24.13 O ATOM 0 H TYR A 21 -5.222 8.133 -8.635 1.00 44.32 H new ATOM 0 HA TYR A 21 -7.387 9.695 -7.810 1.00 33.43 H new ATOM 0 HB2 TYR A 21 -7.059 7.258 -7.384 1.00 40.53 H new ATOM 0 HB3 TYR A 21 -5.737 7.625 -6.293 1.00 40.53 H new ATOM 0 HD1 TYR A 21 -9.393 7.785 -6.727 1.00 32.42 H new ATOM 0 HD2 TYR A 21 -6.166 8.418 -4.052 1.00 1.12 H new ATOM 0 HE1 TYR A 21 -10.970 7.985 -4.864 1.00 11.41 H new ATOM 0 HE2 TYR A 21 -7.742 8.597 -2.204 1.00 72.01 H new ATOM 0 HH TYR A 21 -10.356 7.604 -1.892 1.00 24.13 H new ATOM 121 N GLN A 22 -4.574 10.589 -6.516 1.00 42.32 N ATOM 122 CA GLN A 22 -3.946 11.622 -5.698 1.00 64.04 C ATOM 123 C GLN A 22 -4.551 13.001 -6.040 1.00 0.34 C ATOM 124 O GLN A 22 -4.828 13.803 -5.138 1.00 71.13 O ATOM 125 CB GLN A 22 -2.398 11.566 -5.836 1.00 31.00 C ATOM 126 CG GLN A 22 -1.594 12.611 -5.042 1.00 21.54 C ATOM 127 CD GLN A 22 -1.582 13.992 -5.688 1.00 61.22 C ATOM 128 OE1 GLN A 22 -1.657 14.118 -6.891 1.00 20.21 O ATOM 129 NE2 GLN A 22 -1.487 15.022 -4.891 1.00 24.45 N ATOM 0 H GLN A 22 -3.929 10.063 -7.106 1.00 42.32 H new ATOM 0 HA GLN A 22 -4.156 11.441 -4.644 1.00 64.04 H new ATOM 0 HB2 GLN A 22 -2.065 10.575 -5.528 1.00 31.00 H new ATOM 0 HB3 GLN A 22 -2.147 11.673 -6.891 1.00 31.00 H new ATOM 0 HG2 GLN A 22 -2.011 12.692 -4.038 1.00 21.54 H new ATOM 0 HG3 GLN A 22 -0.567 12.261 -4.933 1.00 21.54 H new ATOM 0 HE21 GLN A 22 -1.426 14.882 -3.882 1.00 24.45 H new ATOM 0 HE22 GLN A 22 -1.474 15.966 -5.277 1.00 24.45 H new ATOM 138 N GLN A 23 -4.846 13.220 -7.316 1.00 71.50 N ATOM 139 CA GLN A 23 -5.463 14.462 -7.774 1.00 11.42 C ATOM 140 C GLN A 23 -6.930 14.542 -7.320 1.00 31.23 C ATOM 141 O GLN A 23 -7.533 15.614 -7.236 1.00 5.02 O ATOM 142 CB GLN A 23 -5.292 14.643 -9.294 1.00 33.44 C ATOM 143 CG GLN A 23 -5.989 15.871 -9.845 1.00 31.51 C ATOM 144 CD GLN A 23 -5.373 16.381 -11.111 1.00 50.02 C ATOM 145 OE1 GLN A 23 -5.762 16.007 -12.217 1.00 25.10 O ATOM 146 NE2 GLN A 23 -4.423 17.267 -10.957 1.00 63.25 N ATOM 0 H GLN A 23 -4.666 12.546 -8.060 1.00 71.50 H new ATOM 0 HA GLN A 23 -4.945 15.301 -7.308 1.00 11.42 H new ATOM 0 HB2 GLN A 23 -4.229 14.705 -9.526 1.00 33.44 H new ATOM 0 HB3 GLN A 23 -5.678 13.759 -9.802 1.00 33.44 H new ATOM 0 HG2 GLN A 23 -7.037 15.634 -10.028 1.00 31.51 H new ATOM 0 HG3 GLN A 23 -5.967 16.661 -9.094 1.00 31.51 H new ATOM 0 HE21 GLN A 23 -4.133 17.547 -10.020 1.00 63.25 H new ATOM 0 HE22 GLN A 23 -3.972 17.678 -11.774 1.00 63.25 H new ATOM 155 N LEU A 24 -7.496 13.412 -6.984 1.00 42.23 N ATOM 156 CA LEU A 24 -8.817 13.399 -6.412 1.00 40.54 C ATOM 157 C LEU A 24 -8.783 14.032 -4.998 1.00 75.12 C ATOM 158 O LEU A 24 -9.767 14.582 -4.541 1.00 23.12 O ATOM 159 CB LEU A 24 -9.517 11.974 -6.514 1.00 2.31 C ATOM 160 CG LEU A 24 -10.867 11.761 -5.800 1.00 33.25 C ATOM 161 CD1 LEU A 24 -11.592 10.588 -6.414 1.00 50.35 C ATOM 162 CD2 LEU A 24 -10.677 11.489 -4.321 1.00 43.24 C ATOM 0 H LEU A 24 -7.066 12.494 -7.096 1.00 42.23 H new ATOM 0 HA LEU A 24 -9.477 14.030 -7.007 1.00 40.54 H new ATOM 0 HB2 LEU A 24 -9.663 11.752 -7.571 1.00 2.31 H new ATOM 0 HB3 LEU A 24 -8.817 11.233 -6.127 1.00 2.31 H new ATOM 0 HG LEU A 24 -11.449 12.675 -5.918 1.00 33.25 H new ATOM 0 HD11 LEU A 24 -12.545 10.443 -5.905 1.00 50.35 H new ATOM 0 HD12 LEU A 24 -11.771 10.784 -7.471 1.00 50.35 H new ATOM 0 HD13 LEU A 24 -10.984 9.689 -6.309 1.00 50.35 H new ATOM 0 HD21 LEU A 24 -11.649 11.344 -3.850 1.00 43.24 H new ATOM 0 HD22 LEU A 24 -10.073 10.591 -4.191 1.00 43.24 H new ATOM 0 HD23 LEU A 24 -10.172 12.336 -3.857 1.00 43.24 H new ATOM 174 N ARG A 25 -7.596 14.061 -4.361 1.00 4.24 N ATOM 175 CA ARG A 25 -7.485 14.605 -3.014 1.00 73.44 C ATOM 176 C ARG A 25 -7.413 16.078 -3.074 1.00 72.30 C ATOM 177 O ARG A 25 -8.064 16.752 -2.297 1.00 62.14 O ATOM 178 CB ARG A 25 -6.249 14.120 -2.250 1.00 41.34 C ATOM 179 CG ARG A 25 -6.413 12.871 -1.428 1.00 31.02 C ATOM 180 CD ARG A 25 -6.725 11.661 -2.251 1.00 62.22 C ATOM 181 NE ARG A 25 -6.717 10.473 -1.397 1.00 22.53 N ATOM 182 CZ ARG A 25 -5.698 9.585 -1.281 1.00 50.33 C ATOM 183 NH1 ARG A 25 -4.629 9.657 -2.086 1.00 42.23 N1+ ATOM 184 NH2 ARG A 25 -5.792 8.613 -0.396 1.00 64.25 N ATOM 0 H ARG A 25 -6.721 13.718 -4.758 1.00 4.24 H new ATOM 0 HA ARG A 25 -8.371 14.255 -2.484 1.00 73.44 H new ATOM 0 HB2 ARG A 25 -5.448 13.952 -2.970 1.00 41.34 H new ATOM 0 HB3 ARG A 25 -5.920 14.922 -1.589 1.00 41.34 H new ATOM 0 HG2 ARG A 25 -5.498 12.692 -0.863 1.00 31.02 H new ATOM 0 HG3 ARG A 25 -7.211 13.024 -0.701 1.00 31.02 H new ATOM 0 HD2 ARG A 25 -7.699 11.773 -2.727 1.00 62.22 H new ATOM 0 HD3 ARG A 25 -5.991 11.552 -3.050 1.00 62.22 H new ATOM 0 HE ARG A 25 -7.552 10.297 -0.839 1.00 22.53 H new ATOM 0 HH11 ARG A 25 -4.574 10.386 -2.797 1.00 42.23 H new ATOM 0 HH12 ARG A 25 -3.870 8.983 -1.988 1.00 42.23 H new ATOM 0 HH21 ARG A 25 -6.623 8.536 0.190 1.00 64.25 H new ATOM 0 HH22 ARG A 25 -5.034 7.938 -0.298 1.00 64.25 H new ATOM 198 N GLU A 26 -6.641 16.573 -4.040 1.00 13.40 N ATOM 199 CA GLU A 26 -6.369 17.989 -4.170 1.00 3.51 C ATOM 200 C GLU A 26 -7.702 18.771 -4.259 1.00 41.03 C ATOM 201 O GLU A 26 -7.881 19.810 -3.626 1.00 4.23 O ATOM 202 CB GLU A 26 -5.447 18.262 -5.409 1.00 64.32 C ATOM 203 CG GLU A 26 -6.158 18.218 -6.749 1.00 52.14 C ATOM 204 CD GLU A 26 -5.344 18.583 -7.981 1.00 52.34 C ATOM 205 OE1 GLU A 26 -4.256 18.039 -8.178 1.00 43.40 O ATOM 206 OE2 GLU A 26 -5.879 19.351 -8.837 1.00 73.32 O1- ATOM 0 H GLU A 26 -6.190 15.997 -4.751 1.00 13.40 H new ATOM 0 HA GLU A 26 -5.832 18.337 -3.288 1.00 3.51 H new ATOM 0 HB2 GLU A 26 -4.983 19.241 -5.291 1.00 64.32 H new ATOM 0 HB3 GLU A 26 -4.642 17.527 -5.415 1.00 64.32 H new ATOM 0 HG2 GLU A 26 -6.551 17.211 -6.890 1.00 52.14 H new ATOM 0 HG3 GLU A 26 -7.015 18.890 -6.699 1.00 52.14 H new ATOM 213 N ARG A 27 -8.646 18.214 -4.999 1.00 23.03 N ATOM 214 CA ARG A 27 -9.922 18.843 -5.190 1.00 33.11 C ATOM 215 C ARG A 27 -10.917 18.475 -4.099 1.00 71.35 C ATOM 216 O ARG A 27 -11.747 19.287 -3.747 1.00 33.30 O ATOM 217 CB ARG A 27 -10.429 18.601 -6.619 1.00 10.11 C ATOM 218 CG ARG A 27 -9.347 18.991 -7.589 1.00 3.51 C ATOM 219 CD ARG A 27 -9.644 18.814 -9.048 1.00 42.42 C ATOM 220 NE ARG A 27 -8.392 19.067 -9.773 1.00 41.44 N ATOM 221 CZ ARG A 27 -8.188 19.129 -11.069 1.00 51.01 C ATOM 222 NH1 ARG A 27 -9.204 19.025 -11.937 1.00 70.40 N1+ ATOM 223 NH2 ARG A 27 -6.946 19.309 -11.492 1.00 74.31 N ATOM 0 H ARG A 27 -8.541 17.319 -5.477 1.00 23.03 H new ATOM 0 HA ARG A 27 -9.800 19.921 -5.086 1.00 33.11 H new ATOM 0 HB2 ARG A 27 -10.696 17.553 -6.752 1.00 10.11 H new ATOM 0 HB3 ARG A 27 -11.330 19.185 -6.804 1.00 10.11 H new ATOM 0 HG2 ARG A 27 -9.101 20.039 -7.418 1.00 3.51 H new ATOM 0 HG3 ARG A 27 -8.455 18.411 -7.352 1.00 3.51 H new ATOM 0 HD2 ARG A 27 -10.009 17.807 -9.248 1.00 42.42 H new ATOM 0 HD3 ARG A 27 -10.423 19.505 -9.370 1.00 42.42 H new ATOM 0 HE ARG A 27 -7.568 19.215 -9.190 1.00 41.44 H new ATOM 0 HH11 ARG A 27 -10.156 18.895 -11.595 1.00 70.40 H new ATOM 0 HH12 ARG A 27 -9.025 19.076 -12.940 1.00 70.40 H new ATOM 0 HH21 ARG A 27 -6.185 19.395 -10.818 1.00 74.31 H new ATOM 0 HH22 ARG A 27 -6.750 19.362 -12.492 1.00 74.31 H new ATOM 237 N LEU A 28 -10.809 17.259 -3.532 1.00 32.52 N ATOM 238 CA LEU A 28 -11.702 16.838 -2.456 1.00 13.03 C ATOM 239 C LEU A 28 -11.458 17.680 -1.199 1.00 65.22 C ATOM 240 O LEU A 28 -12.398 18.016 -0.467 1.00 34.42 O ATOM 241 CB LEU A 28 -11.531 15.341 -2.147 1.00 42.33 C ATOM 242 CG LEU A 28 -12.839 14.592 -1.872 1.00 31.34 C ATOM 243 CD1 LEU A 28 -12.604 13.116 -1.771 1.00 35.24 C ATOM 244 CD2 LEU A 28 -13.537 15.090 -0.621 1.00 51.03 C ATOM 0 H LEU A 28 -10.116 16.562 -3.804 1.00 32.52 H new ATOM 0 HA LEU A 28 -12.729 16.996 -2.787 1.00 13.03 H new ATOM 0 HB2 LEU A 28 -11.025 14.866 -2.988 1.00 42.33 H new ATOM 0 HB3 LEU A 28 -10.878 15.235 -1.281 1.00 42.33 H new ATOM 0 HG LEU A 28 -13.494 14.792 -2.720 1.00 31.34 H new ATOM 0 HD11 LEU A 28 -13.549 12.610 -1.576 1.00 35.24 H new ATOM 0 HD12 LEU A 28 -12.183 12.750 -2.707 1.00 35.24 H new ATOM 0 HD13 LEU A 28 -11.909 12.913 -0.957 1.00 35.24 H new ATOM 0 HD21 LEU A 28 -14.458 14.528 -0.470 1.00 51.03 H new ATOM 0 HD22 LEU A 28 -12.883 14.952 0.240 1.00 51.03 H new ATOM 0 HD23 LEU A 28 -13.772 16.148 -0.732 1.00 51.03 H new ATOM 256 N ILE A 29 -10.205 18.027 -0.966 1.00 72.21 N ATOM 257 CA ILE A 29 -9.841 18.883 0.151 1.00 34.34 C ATOM 258 C ILE A 29 -10.546 20.241 0.018 1.00 34.33 C ATOM 259 O ILE A 29 -11.103 20.754 0.978 1.00 64.14 O ATOM 260 CB ILE A 29 -8.284 19.031 0.265 1.00 54.50 C ATOM 261 CG1 ILE A 29 -7.673 17.669 0.629 1.00 30.25 C ATOM 262 CG2 ILE A 29 -7.882 20.083 1.290 1.00 23.21 C ATOM 263 CD1 ILE A 29 -6.163 17.650 0.755 1.00 61.21 C ATOM 0 H ILE A 29 -9.417 17.727 -1.539 1.00 72.21 H new ATOM 0 HA ILE A 29 -10.177 18.421 1.079 1.00 34.34 H new ATOM 0 HB ILE A 29 -7.902 19.365 -0.700 1.00 54.50 H new ATOM 0 HG12 ILE A 29 -8.104 17.336 1.573 1.00 30.25 H new ATOM 0 HG13 ILE A 29 -7.967 16.943 -0.129 1.00 30.25 H new ATOM 0 HG21 ILE A 29 -6.795 20.151 1.335 1.00 23.21 H new ATOM 0 HG22 ILE A 29 -8.294 21.050 1.000 1.00 23.21 H new ATOM 0 HG23 ILE A 29 -8.269 19.803 2.270 1.00 23.21 H new ATOM 0 HD11 ILE A 29 -5.832 16.644 1.014 1.00 61.21 H new ATOM 0 HD12 ILE A 29 -5.715 17.946 -0.193 1.00 61.21 H new ATOM 0 HD13 ILE A 29 -5.854 18.346 1.535 1.00 61.21 H new ATOM 275 N GLN A 30 -10.593 20.756 -1.196 1.00 64.24 N ATOM 276 CA GLN A 30 -11.271 22.016 -1.473 1.00 32.32 C ATOM 277 C GLN A 30 -12.802 21.829 -1.410 1.00 5.11 C ATOM 278 O GLN A 30 -13.513 22.679 -0.888 1.00 5.11 O ATOM 279 CB GLN A 30 -10.864 22.534 -2.857 1.00 21.02 C ATOM 280 CG GLN A 30 -11.496 23.865 -3.240 1.00 72.01 C ATOM 281 CD GLN A 30 -11.146 24.287 -4.646 1.00 44.53 C ATOM 282 OE1 GLN A 30 -10.163 24.963 -4.878 1.00 62.12 O ATOM 283 NE2 GLN A 30 -11.955 23.890 -5.599 1.00 61.13 N ATOM 0 H GLN A 30 -10.167 20.320 -2.014 1.00 64.24 H new ATOM 0 HA GLN A 30 -10.977 22.744 -0.717 1.00 32.32 H new ATOM 0 HB2 GLN A 30 -9.779 22.638 -2.888 1.00 21.02 H new ATOM 0 HB3 GLN A 30 -11.134 21.788 -3.605 1.00 21.02 H new ATOM 0 HG2 GLN A 30 -12.579 23.790 -3.146 1.00 72.01 H new ATOM 0 HG3 GLN A 30 -11.168 24.634 -2.541 1.00 72.01 H new ATOM 0 HE21 GLN A 30 -12.772 23.323 -5.371 1.00 61.13 H new ATOM 0 HE22 GLN A 30 -11.767 24.148 -6.568 1.00 61.13 H new ATOM 292 N GLU A 31 -13.262 20.685 -1.924 1.00 60.14 N ATOM 293 CA GLU A 31 -14.686 20.304 -2.020 1.00 72.34 C ATOM 294 C GLU A 31 -15.442 20.550 -0.701 1.00 1.43 C ATOM 295 O GLU A 31 -16.465 21.252 -0.677 1.00 74.22 O ATOM 296 CB GLU A 31 -14.760 18.813 -2.422 1.00 72.52 C ATOM 297 CG GLU A 31 -16.148 18.207 -2.547 1.00 50.55 C ATOM 298 CD GLU A 31 -16.975 18.813 -3.650 1.00 43.33 C ATOM 299 OE1 GLU A 31 -17.694 19.799 -3.385 1.00 34.04 O ATOM 300 OE2 GLU A 31 -16.980 18.280 -4.776 1.00 65.43 O1- ATOM 0 H GLU A 31 -12.638 19.971 -2.299 1.00 60.14 H new ATOM 0 HA GLU A 31 -15.170 20.926 -2.773 1.00 72.34 H new ATOM 0 HB2 GLU A 31 -14.249 18.693 -3.377 1.00 72.52 H new ATOM 0 HB3 GLU A 31 -14.201 18.234 -1.686 1.00 72.52 H new ATOM 0 HG2 GLU A 31 -16.053 17.136 -2.723 1.00 50.55 H new ATOM 0 HG3 GLU A 31 -16.675 18.329 -1.601 1.00 50.55 H new ATOM 307 N LEU A 32 -14.948 20.005 0.394 1.00 74.40 N ATOM 308 CA LEU A 32 -15.605 20.251 1.667 1.00 3.23 C ATOM 309 C LEU A 32 -14.820 21.201 2.564 1.00 75.20 C ATOM 310 O LEU A 32 -15.183 21.379 3.720 1.00 14.24 O ATOM 311 CB LEU A 32 -15.883 18.950 2.403 1.00 42.13 C ATOM 312 CG LEU A 32 -16.873 17.997 1.773 1.00 63.23 C ATOM 313 CD1 LEU A 32 -16.939 16.733 2.595 1.00 21.22 C ATOM 314 CD2 LEU A 32 -18.249 18.635 1.676 1.00 62.20 C ATOM 0 H LEU A 32 -14.122 19.408 0.433 1.00 74.40 H new ATOM 0 HA LEU A 32 -16.552 20.736 1.429 1.00 3.23 H new ATOM 0 HB2 LEU A 32 -14.937 18.422 2.525 1.00 42.13 H new ATOM 0 HB3 LEU A 32 -16.241 19.197 3.402 1.00 42.13 H new ATOM 0 HG LEU A 32 -16.542 17.758 0.763 1.00 63.23 H new ATOM 0 HD11 LEU A 32 -17.652 16.043 2.144 1.00 21.22 H new ATOM 0 HD12 LEU A 32 -15.954 16.268 2.627 1.00 21.22 H new ATOM 0 HD13 LEU A 32 -17.259 16.974 3.609 1.00 21.22 H new ATOM 0 HD21 LEU A 32 -18.945 17.931 1.220 1.00 62.20 H new ATOM 0 HD22 LEU A 32 -18.600 18.897 2.674 1.00 62.20 H new ATOM 0 HD23 LEU A 32 -18.190 19.535 1.064 1.00 62.20 H new ATOM 326 N ASN A 33 -13.777 21.845 2.010 1.00 41.25 N ATOM 327 CA ASN A 33 -12.890 22.765 2.790 1.00 52.40 C ATOM 328 C ASN A 33 -12.264 22.010 3.956 1.00 62.43 C ATOM 329 O ASN A 33 -12.115 22.523 5.071 1.00 44.22 O ATOM 330 CB ASN A 33 -13.652 24.017 3.291 1.00 74.11 C ATOM 331 CG ASN A 33 -14.122 24.924 2.168 1.00 44.25 C ATOM 332 OD1 ASN A 33 -13.418 25.832 1.749 1.00 21.43 O ATOM 333 ND2 ASN A 33 -15.316 24.690 1.677 1.00 2.12 N ATOM 0 H ASN A 33 -13.518 21.754 1.028 1.00 41.25 H new ATOM 0 HA ASN A 33 -12.102 23.118 2.125 1.00 52.40 H new ATOM 0 HB2 ASN A 33 -14.515 23.699 3.876 1.00 74.11 H new ATOM 0 HB3 ASN A 33 -13.005 24.584 3.960 1.00 74.11 H new ATOM 0 HD21 ASN A 33 -15.681 25.273 0.924 1.00 2.12 H new ATOM 0 HD22 ASN A 33 -15.879 23.925 2.048 1.00 2.12 H new ATOM 340 N LEU A 34 -11.841 20.811 3.656 1.00 4.33 N ATOM 341 CA LEU A 34 -11.311 19.897 4.625 1.00 44.23 C ATOM 342 C LEU A 34 -9.876 20.247 4.925 1.00 11.33 C ATOM 343 O LEU A 34 -9.101 20.527 4.035 1.00 72.04 O ATOM 344 CB LEU A 34 -11.408 18.460 4.075 1.00 71.21 C ATOM 345 CG LEU A 34 -12.822 17.999 3.734 1.00 34.14 C ATOM 346 CD1 LEU A 34 -12.821 16.740 2.858 1.00 41.22 C ATOM 347 CD2 LEU A 34 -13.628 17.752 5.002 1.00 2.40 C ATOM 0 H LEU A 34 -11.857 20.436 2.707 1.00 4.33 H new ATOM 0 HA LEU A 34 -11.886 19.966 5.548 1.00 44.23 H new ATOM 0 HB2 LEU A 34 -10.791 18.386 3.179 1.00 71.21 H new ATOM 0 HB3 LEU A 34 -10.985 17.775 4.810 1.00 71.21 H new ATOM 0 HG LEU A 34 -13.291 18.801 3.163 1.00 34.14 H new ATOM 0 HD11 LEU A 34 -13.848 16.448 2.640 1.00 41.22 H new ATOM 0 HD12 LEU A 34 -12.297 16.946 1.925 1.00 41.22 H new ATOM 0 HD13 LEU A 34 -12.318 15.930 3.386 1.00 41.22 H new ATOM 0 HD21 LEU A 34 -14.633 17.424 4.736 1.00 2.40 H new ATOM 0 HD22 LEU A 34 -13.141 16.981 5.599 1.00 2.40 H new ATOM 0 HD23 LEU A 34 -13.688 18.674 5.580 1.00 2.40 H new ATOM 359 N THR A 35 -9.542 20.273 6.171 1.00 64.14 N ATOM 360 CA THR A 35 -8.190 20.482 6.578 1.00 74.13 C ATOM 361 C THR A 35 -7.457 19.146 6.304 1.00 53.23 C ATOM 362 O THR A 35 -8.092 18.120 6.363 1.00 14.31 O ATOM 363 CB THR A 35 -8.212 20.795 8.088 1.00 15.34 C ATOM 364 OG1 THR A 35 -9.257 21.749 8.329 1.00 52.44 O ATOM 365 CG2 THR A 35 -6.899 21.390 8.567 1.00 24.40 C ATOM 0 H THR A 35 -10.200 20.150 6.940 1.00 64.14 H new ATOM 0 HA THR A 35 -7.695 21.300 6.054 1.00 74.13 H new ATOM 0 HB THR A 35 -8.376 19.863 8.629 1.00 15.34 H new ATOM 0 HG1 THR A 35 -9.291 21.962 9.285 1.00 52.44 H new ATOM 0 HG21 THR A 35 -6.961 21.594 9.636 1.00 24.40 H new ATOM 0 HG22 THR A 35 -6.090 20.685 8.378 1.00 24.40 H new ATOM 0 HG23 THR A 35 -6.703 22.319 8.031 1.00 24.40 H new ATOM 373 N PRO A 36 -6.157 19.123 5.945 1.00 62.52 N ATOM 374 CA PRO A 36 -5.430 17.845 5.713 1.00 24.03 C ATOM 375 C PRO A 36 -5.497 16.902 6.931 1.00 42.34 C ATOM 376 O PRO A 36 -5.481 15.700 6.794 1.00 40.52 O ATOM 377 CB PRO A 36 -3.992 18.298 5.453 1.00 22.51 C ATOM 378 CG PRO A 36 -4.127 19.691 4.938 1.00 43.44 C ATOM 379 CD PRO A 36 -5.305 20.293 5.656 1.00 50.42 C ATOM 0 HA PRO A 36 -5.861 17.271 4.893 1.00 24.03 H new ATOM 0 HB2 PRO A 36 -3.395 18.268 6.365 1.00 22.51 H new ATOM 0 HB3 PRO A 36 -3.498 17.653 4.727 1.00 22.51 H new ATOM 0 HG2 PRO A 36 -3.220 20.266 5.128 1.00 43.44 H new ATOM 0 HG3 PRO A 36 -4.286 19.693 3.860 1.00 43.44 H new ATOM 0 HD2 PRO A 36 -5.001 20.805 6.569 1.00 50.42 H new ATOM 0 HD3 PRO A 36 -5.823 21.025 5.037 1.00 50.42 H new ATOM 387 N GLN A 37 -5.608 17.479 8.114 1.00 41.03 N ATOM 388 CA GLN A 37 -5.753 16.712 9.346 1.00 41.11 C ATOM 389 C GLN A 37 -7.189 16.173 9.491 1.00 62.23 C ATOM 390 O GLN A 37 -7.485 15.417 10.396 1.00 55.03 O ATOM 391 CB GLN A 37 -5.376 17.545 10.600 1.00 31.25 C ATOM 392 CG GLN A 37 -3.912 18.029 10.680 1.00 12.12 C ATOM 393 CD GLN A 37 -3.596 19.303 9.884 1.00 53.30 C ATOM 394 OE1 GLN A 37 -4.201 19.609 8.866 1.00 71.13 O ATOM 395 NE2 GLN A 37 -2.635 20.053 10.356 1.00 31.12 N ATOM 0 H GLN A 37 -5.601 18.490 8.252 1.00 41.03 H new ATOM 0 HA GLN A 37 -5.060 15.874 9.278 1.00 41.11 H new ATOM 0 HB2 GLN A 37 -6.028 18.417 10.641 1.00 31.25 H new ATOM 0 HB3 GLN A 37 -5.588 16.946 11.486 1.00 31.25 H new ATOM 0 HG2 GLN A 37 -3.661 18.203 11.726 1.00 12.12 H new ATOM 0 HG3 GLN A 37 -3.263 17.229 10.325 1.00 12.12 H new ATOM 0 HE21 GLN A 37 -2.144 19.778 11.207 1.00 31.12 H new ATOM 0 HE22 GLN A 37 -2.376 20.914 9.874 1.00 31.12 H new ATOM 404 N GLN A 38 -8.058 16.604 8.596 1.00 41.54 N ATOM 405 CA GLN A 38 -9.432 16.193 8.546 1.00 0.33 C ATOM 406 C GLN A 38 -9.628 15.347 7.273 1.00 21.22 C ATOM 407 O GLN A 38 -10.715 14.827 7.004 1.00 13.25 O ATOM 408 CB GLN A 38 -10.307 17.468 8.472 1.00 50.33 C ATOM 409 CG GLN A 38 -11.794 17.229 8.435 1.00 35.00 C ATOM 410 CD GLN A 38 -12.332 16.591 9.699 1.00 53.23 C ATOM 411 OE1 GLN A 38 -11.815 16.795 10.784 1.00 52.32 O ATOM 412 NE2 GLN A 38 -13.371 15.813 9.566 1.00 3.34 N ATOM 0 H GLN A 38 -7.811 17.271 7.865 1.00 41.54 H new ATOM 0 HA GLN A 38 -9.709 15.607 9.422 1.00 0.33 H new ATOM 0 HB2 GLN A 38 -10.078 18.096 9.333 1.00 50.33 H new ATOM 0 HB3 GLN A 38 -10.024 18.031 7.583 1.00 50.33 H new ATOM 0 HG2 GLN A 38 -12.303 18.179 8.271 1.00 35.00 H new ATOM 0 HG3 GLN A 38 -12.031 16.589 7.585 1.00 35.00 H new ATOM 0 HE21 GLN A 38 -13.781 15.662 8.644 1.00 3.34 H new ATOM 0 HE22 GLN A 38 -13.773 15.355 10.384 1.00 3.34 H new ATOM 421 N LEU A 39 -8.564 15.216 6.491 1.00 31.31 N ATOM 422 CA LEU A 39 -8.656 14.524 5.244 1.00 31.51 C ATOM 423 C LEU A 39 -7.403 13.706 4.984 1.00 14.24 C ATOM 424 O LEU A 39 -6.462 14.135 4.313 1.00 20.51 O ATOM 425 CB LEU A 39 -9.020 15.498 4.077 1.00 60.52 C ATOM 426 CG LEU A 39 -9.511 14.892 2.734 1.00 33.43 C ATOM 427 CD1 LEU A 39 -8.369 14.405 1.867 1.00 30.31 C ATOM 428 CD2 LEU A 39 -10.488 13.750 2.988 1.00 61.50 C ATOM 0 H LEU A 39 -7.638 15.583 6.710 1.00 31.31 H new ATOM 0 HA LEU A 39 -9.479 13.811 5.301 1.00 31.51 H new ATOM 0 HB2 LEU A 39 -9.795 16.174 4.439 1.00 60.52 H new ATOM 0 HB3 LEU A 39 -8.140 16.105 3.865 1.00 60.52 H new ATOM 0 HG LEU A 39 -10.016 15.693 2.194 1.00 33.43 H new ATOM 0 HD11 LEU A 39 -8.767 13.991 0.940 1.00 30.31 H new ATOM 0 HD12 LEU A 39 -7.706 15.239 1.637 1.00 30.31 H new ATOM 0 HD13 LEU A 39 -7.811 13.634 2.399 1.00 30.31 H new ATOM 0 HD21 LEU A 39 -10.821 13.338 2.036 1.00 61.50 H new ATOM 0 HD22 LEU A 39 -9.994 12.970 3.568 1.00 61.50 H new ATOM 0 HD23 LEU A 39 -11.349 14.124 3.543 1.00 61.50 H new ATOM 440 N HIS A 40 -7.381 12.589 5.610 1.00 63.00 N ATOM 441 CA HIS A 40 -6.398 11.569 5.413 1.00 70.02 C ATOM 442 C HIS A 40 -7.171 10.354 4.888 1.00 52.25 C ATOM 443 O HIS A 40 -8.402 10.366 4.907 1.00 74.41 O ATOM 444 CB HIS A 40 -5.589 11.283 6.707 1.00 71.25 C ATOM 445 CG HIS A 40 -4.574 10.176 6.565 1.00 55.00 C ATOM 446 ND1 HIS A 40 -4.650 9.009 7.254 1.00 5.22 N ATOM 447 CD2 HIS A 40 -3.506 10.051 5.738 1.00 11.55 C ATOM 448 CE1 HIS A 40 -3.691 8.204 6.853 1.00 22.04 C ATOM 449 NE2 HIS A 40 -2.946 8.786 5.920 1.00 55.53 N ATOM 0 H HIS A 40 -8.079 12.340 6.311 1.00 63.00 H new ATOM 0 HA HIS A 40 -5.634 11.870 4.696 1.00 70.02 H new ATOM 0 HB2 HIS A 40 -5.076 12.195 7.011 1.00 71.25 H new ATOM 0 HB3 HIS A 40 -6.283 11.025 7.507 1.00 71.25 H new ATOM 0 HD1 HIS A 40 -5.342 8.791 7.970 1.00 5.22 H new ATOM 0 HD2 HIS A 40 -3.149 10.805 5.053 1.00 11.55 H new ATOM 0 HE1 HIS A 40 -3.531 7.205 7.231 1.00 22.04 H new ATOM 457 N GLU A 41 -6.509 9.349 4.360 1.00 3.44 N ATOM 458 CA GLU A 41 -7.229 8.284 3.704 1.00 35.42 C ATOM 459 C GLU A 41 -8.183 7.415 4.547 1.00 22.14 C ATOM 460 O GLU A 41 -9.029 6.722 3.975 1.00 22.12 O ATOM 461 CB GLU A 41 -6.423 7.515 2.648 1.00 61.13 C ATOM 462 CG GLU A 41 -5.055 7.010 3.059 1.00 0.32 C ATOM 463 CD GLU A 41 -4.366 6.301 1.902 1.00 50.24 C ATOM 464 OE1 GLU A 41 -4.163 6.932 0.815 1.00 14.03 O ATOM 465 OE2 GLU A 41 -4.020 5.121 2.028 1.00 53.23 O1- ATOM 0 H GLU A 41 -5.494 9.248 4.371 1.00 3.44 H new ATOM 0 HA GLU A 41 -7.956 8.870 3.142 1.00 35.42 H new ATOM 0 HB2 GLU A 41 -7.017 6.660 2.325 1.00 61.13 H new ATOM 0 HB3 GLU A 41 -6.298 8.162 1.780 1.00 61.13 H new ATOM 0 HG2 GLU A 41 -4.441 7.845 3.396 1.00 0.32 H new ATOM 0 HG3 GLU A 41 -5.154 6.326 3.902 1.00 0.32 H new ATOM 472 N GLU A 42 -8.134 7.516 5.859 1.00 63.31 N ATOM 473 CA GLU A 42 -9.018 6.706 6.701 1.00 34.13 C ATOM 474 C GLU A 42 -10.269 7.525 7.068 1.00 73.03 C ATOM 475 O GLU A 42 -11.232 7.007 7.644 1.00 51.44 O ATOM 476 CB GLU A 42 -8.287 6.233 7.990 1.00 13.44 C ATOM 477 CG GLU A 42 -8.195 7.269 9.123 1.00 34.44 C ATOM 478 CD GLU A 42 -7.341 8.450 8.783 1.00 30.05 C ATOM 479 OE1 GLU A 42 -6.214 8.502 9.259 1.00 1.12 O ATOM 480 OE2 GLU A 42 -7.770 9.305 7.973 1.00 54.34 O1- ATOM 0 H GLU A 42 -7.506 8.138 6.368 1.00 63.31 H new ATOM 0 HA GLU A 42 -9.314 5.819 6.141 1.00 34.13 H new ATOM 0 HB2 GLU A 42 -8.798 5.349 8.372 1.00 13.44 H new ATOM 0 HB3 GLU A 42 -7.276 5.926 7.721 1.00 13.44 H new ATOM 0 HG2 GLU A 42 -9.198 7.615 9.371 1.00 34.44 H new ATOM 0 HG3 GLU A 42 -7.795 6.786 10.015 1.00 34.44 H new ATOM 487 N SER A 43 -10.231 8.797 6.725 1.00 65.20 N ATOM 488 CA SER A 43 -11.279 9.719 7.034 1.00 10.41 C ATOM 489 C SER A 43 -12.570 9.381 6.257 1.00 62.11 C ATOM 490 O SER A 43 -12.557 9.204 5.017 1.00 24.04 O ATOM 491 CB SER A 43 -10.796 11.140 6.740 1.00 21.30 C ATOM 492 OG SER A 43 -9.555 11.410 7.415 1.00 2.02 O ATOM 0 H SER A 43 -9.453 9.215 6.215 1.00 65.20 H new ATOM 0 HA SER A 43 -11.526 9.643 8.093 1.00 10.41 H new ATOM 0 HB2 SER A 43 -10.666 11.269 5.666 1.00 21.30 H new ATOM 0 HB3 SER A 43 -11.552 11.858 7.058 1.00 21.30 H new ATOM 0 HG SER A 43 -9.087 10.567 7.588 1.00 2.02 H new ATOM 498 N ASN A 44 -13.665 9.252 7.001 1.00 15.42 N ATOM 499 CA ASN A 44 -14.970 8.929 6.438 1.00 0.51 C ATOM 500 C ASN A 44 -15.560 10.147 5.747 1.00 34.22 C ATOM 501 O ASN A 44 -15.854 11.159 6.381 1.00 14.14 O ATOM 502 CB ASN A 44 -15.922 8.365 7.526 1.00 41.12 C ATOM 503 CG ASN A 44 -17.316 7.930 7.015 1.00 54.22 C ATOM 504 OD1 ASN A 44 -17.887 8.504 6.090 1.00 70.40 O ATOM 505 ND2 ASN A 44 -17.866 6.912 7.628 1.00 25.40 N ATOM 0 H ASN A 44 -13.671 9.369 8.014 1.00 15.42 H new ATOM 0 HA ASN A 44 -14.844 8.148 5.689 1.00 0.51 H new ATOM 0 HB2 ASN A 44 -15.442 7.508 7.999 1.00 41.12 H new ATOM 0 HB3 ASN A 44 -16.055 9.122 8.299 1.00 41.12 H new ATOM 0 HD21 ASN A 44 -18.787 6.580 7.340 1.00 25.40 H new ATOM 0 HD22 ASN A 44 -17.374 6.451 8.393 1.00 25.40 H new ATOM 512 N LEU A 45 -15.767 10.011 4.464 1.00 44.13 N ATOM 513 CA LEU A 45 -16.216 11.096 3.610 1.00 13.42 C ATOM 514 C LEU A 45 -17.709 11.430 3.738 1.00 42.13 C ATOM 515 O LEU A 45 -18.114 12.567 3.483 1.00 64.12 O ATOM 516 CB LEU A 45 -15.835 10.818 2.167 1.00 65.15 C ATOM 517 CG LEU A 45 -14.335 10.887 1.834 1.00 34.34 C ATOM 518 CD1 LEU A 45 -14.106 10.458 0.411 1.00 13.41 C ATOM 519 CD2 LEU A 45 -13.806 12.307 2.054 1.00 3.22 C ATOM 0 H LEU A 45 -15.628 9.131 3.968 1.00 44.13 H new ATOM 0 HA LEU A 45 -15.699 11.990 3.960 1.00 13.42 H new ATOM 0 HB2 LEU A 45 -16.199 9.825 1.902 1.00 65.15 H new ATOM 0 HB3 LEU A 45 -16.360 11.531 1.531 1.00 65.15 H new ATOM 0 HG LEU A 45 -13.795 10.211 2.497 1.00 34.34 H new ATOM 0 HD11 LEU A 45 -13.042 10.509 0.182 1.00 13.41 H new ATOM 0 HD12 LEU A 45 -14.457 9.434 0.279 1.00 13.41 H new ATOM 0 HD13 LEU A 45 -14.654 11.119 -0.261 1.00 13.41 H new ATOM 0 HD21 LEU A 45 -12.743 12.341 1.814 1.00 3.22 H new ATOM 0 HD22 LEU A 45 -14.346 13.000 1.409 1.00 3.22 H new ATOM 0 HD23 LEU A 45 -13.952 12.592 3.096 1.00 3.22 H new ATOM 531 N ILE A 46 -18.521 10.479 4.154 1.00 4.41 N ATOM 532 CA ILE A 46 -19.949 10.760 4.326 1.00 13.43 C ATOM 533 C ILE A 46 -20.150 11.543 5.616 1.00 3.10 C ATOM 534 O ILE A 46 -20.978 12.435 5.691 1.00 65.42 O ATOM 535 CB ILE A 46 -20.835 9.467 4.298 1.00 53.01 C ATOM 536 CG1 ILE A 46 -20.786 8.800 2.912 1.00 71.32 C ATOM 537 CG2 ILE A 46 -22.285 9.745 4.707 1.00 63.31 C ATOM 538 CD1 ILE A 46 -21.274 9.667 1.769 1.00 51.32 C ATOM 0 H ILE A 46 -18.236 9.525 4.377 1.00 4.41 H new ATOM 0 HA ILE A 46 -20.279 11.359 3.477 1.00 13.43 H new ATOM 0 HB ILE A 46 -20.417 8.781 5.035 1.00 53.01 H new ATOM 0 HG12 ILE A 46 -19.759 8.498 2.707 1.00 71.32 H new ATOM 0 HG13 ILE A 46 -21.386 7.891 2.941 1.00 71.32 H new ATOM 0 HG21 ILE A 46 -22.857 8.818 4.671 1.00 63.31 H new ATOM 0 HG22 ILE A 46 -22.307 10.146 5.720 1.00 63.31 H new ATOM 0 HG23 ILE A 46 -22.724 10.469 4.021 1.00 63.31 H new ATOM 0 HD11 ILE A 46 -21.201 9.111 0.834 1.00 51.32 H new ATOM 0 HD12 ILE A 46 -22.312 9.949 1.944 1.00 51.32 H new ATOM 0 HD13 ILE A 46 -20.660 10.565 1.706 1.00 51.32 H new ATOM 550 N GLN A 47 -19.311 11.253 6.596 1.00 71.32 N ATOM 551 CA GLN A 47 -19.350 11.962 7.872 1.00 13.20 C ATOM 552 C GLN A 47 -18.669 13.316 7.730 1.00 21.54 C ATOM 553 O GLN A 47 -18.759 14.163 8.604 1.00 15.04 O ATOM 554 CB GLN A 47 -18.684 11.153 8.984 1.00 42.24 C ATOM 555 CG GLN A 47 -19.326 9.797 9.236 1.00 41.31 C ATOM 556 CD GLN A 47 -18.685 9.033 10.386 1.00 14.24 C ATOM 557 OE1 GLN A 47 -17.414 9.265 10.633 1.00 13.43 O flip ATOM 558 NE2 GLN A 47 -19.329 8.244 11.049 1.00 33.21 N flip ATOM 0 H GLN A 47 -18.592 10.531 6.536 1.00 71.32 H new ATOM 0 HA GLN A 47 -20.395 12.106 8.147 1.00 13.20 H new ATOM 0 HB2 GLN A 47 -17.634 11.005 8.732 1.00 42.24 H new ATOM 0 HB3 GLN A 47 -18.711 11.733 9.907 1.00 42.24 H new ATOM 0 HG2 GLN A 47 -20.386 9.938 9.448 1.00 41.31 H new ATOM 0 HG3 GLN A 47 -19.260 9.197 8.328 1.00 41.31 H new ATOM 0 HE21 GLN A 47 -20.313 8.083 10.836 1.00 33.21 H new ATOM 0 HE22 GLN A 47 -18.885 7.743 11.819 1.00 33.21 H new ATOM 567 N ALA A 48 -17.950 13.482 6.633 1.00 21.04 N ATOM 568 CA ALA A 48 -17.331 14.744 6.311 1.00 24.24 C ATOM 569 C ALA A 48 -18.361 15.632 5.628 1.00 30.03 C ATOM 570 O ALA A 48 -18.303 16.852 5.717 1.00 52.02 O ATOM 571 CB ALA A 48 -16.109 14.535 5.427 1.00 60.23 C ATOM 0 H ALA A 48 -17.783 12.746 5.947 1.00 21.04 H new ATOM 0 HA ALA A 48 -16.987 15.230 7.224 1.00 24.24 H new ATOM 0 HB1 ALA A 48 -15.658 15.500 5.196 1.00 60.23 H new ATOM 0 HB2 ALA A 48 -15.384 13.911 5.950 1.00 60.23 H new ATOM 0 HB3 ALA A 48 -16.409 14.044 4.501 1.00 60.23 H new ATOM 577 N GLY A 49 -19.299 14.995 4.936 1.00 14.43 N ATOM 578 CA GLY A 49 -20.395 15.720 4.350 1.00 31.01 C ATOM 579 C GLY A 49 -20.440 15.709 2.829 1.00 21.33 C ATOM 580 O GLY A 49 -20.902 16.675 2.219 1.00 22.02 O ATOM 0 H GLY A 49 -19.314 13.988 4.774 1.00 14.43 H new ATOM 0 HA2 GLY A 49 -21.329 15.304 4.728 1.00 31.01 H new ATOM 0 HA3 GLY A 49 -20.347 16.755 4.689 1.00 31.01 H new ATOM 584 N LEU A 50 -19.957 14.650 2.196 1.00 4.31 N ATOM 585 CA LEU A 50 -20.077 14.558 0.747 1.00 42.32 C ATOM 586 C LEU A 50 -21.485 14.174 0.353 1.00 71.14 C ATOM 587 O LEU A 50 -21.912 13.046 0.605 1.00 72.01 O ATOM 588 CB LEU A 50 -19.111 13.550 0.132 1.00 14.44 C ATOM 589 CG LEU A 50 -17.621 13.877 0.185 1.00 74.43 C ATOM 590 CD1 LEU A 50 -16.892 12.822 -0.565 1.00 63.34 C ATOM 591 CD2 LEU A 50 -17.314 15.218 -0.458 1.00 24.20 C ATOM 0 H LEU A 50 -19.491 13.862 2.646 1.00 4.31 H new ATOM 0 HA LEU A 50 -19.826 15.547 0.363 1.00 42.32 H new ATOM 0 HB2 LEU A 50 -19.263 12.592 0.630 1.00 14.44 H new ATOM 0 HB3 LEU A 50 -19.388 13.413 -0.913 1.00 14.44 H new ATOM 0 HG LEU A 50 -17.314 13.922 1.230 1.00 74.43 H new ATOM 0 HD11 LEU A 50 -15.823 13.032 -0.542 1.00 63.34 H new ATOM 0 HD12 LEU A 50 -17.081 11.852 -0.105 1.00 63.34 H new ATOM 0 HD13 LEU A 50 -17.237 12.806 -1.599 1.00 63.34 H new ATOM 0 HD21 LEU A 50 -16.243 15.413 -0.399 1.00 24.20 H new ATOM 0 HD22 LEU A 50 -17.623 15.200 -1.503 1.00 24.20 H new ATOM 0 HD23 LEU A 50 -17.855 16.005 0.066 1.00 24.20 H new ATOM 603 N ASP A 51 -22.218 15.113 -0.224 1.00 71.24 N ATOM 604 CA ASP A 51 -23.553 14.819 -0.744 1.00 13.42 C ATOM 605 C ASP A 51 -23.427 13.951 -1.981 1.00 31.44 C ATOM 606 O ASP A 51 -22.323 13.820 -2.557 1.00 51.13 O ATOM 607 CB ASP A 51 -24.369 16.093 -1.072 1.00 62.32 C ATOM 608 CG ASP A 51 -23.749 16.963 -2.149 1.00 53.02 C ATOM 609 OD1 ASP A 51 -23.219 18.040 -1.806 1.00 53.24 O ATOM 610 OD2 ASP A 51 -23.752 16.565 -3.341 1.00 65.41 O1- ATOM 0 H ASP A 51 -21.918 16.080 -0.346 1.00 71.24 H new ATOM 0 HA ASP A 51 -24.099 14.293 0.039 1.00 13.42 H new ATOM 0 HB2 ASP A 51 -25.370 15.799 -1.388 1.00 62.32 H new ATOM 0 HB3 ASP A 51 -24.482 16.684 -0.163 1.00 62.32 H new ATOM 615 N SER A 52 -24.526 13.391 -2.424 1.00 40.11 N ATOM 616 CA SER A 52 -24.485 12.468 -3.516 1.00 43.31 C ATOM 617 C SER A 52 -24.124 13.091 -4.861 1.00 71.34 C ATOM 618 O SER A 52 -23.725 12.361 -5.775 1.00 13.20 O ATOM 619 CB SER A 52 -25.736 11.645 -3.618 1.00 21.32 C ATOM 620 OG SER A 52 -26.040 11.039 -2.373 1.00 74.31 O ATOM 0 H SER A 52 -25.456 13.562 -2.041 1.00 40.11 H new ATOM 0 HA SER A 52 -23.659 11.801 -3.270 1.00 43.31 H new ATOM 0 HB2 SER A 52 -26.567 12.275 -3.934 1.00 21.32 H new ATOM 0 HB3 SER A 52 -25.611 10.877 -4.381 1.00 21.32 H new ATOM 0 HG SER A 52 -25.910 10.070 -2.440 1.00 74.31 H new ATOM 626 N ILE A 53 -24.215 14.413 -5.006 1.00 23.43 N ATOM 627 CA ILE A 53 -23.810 14.989 -6.261 1.00 30.40 C ATOM 628 C ILE A 53 -22.326 14.949 -6.297 1.00 15.34 C ATOM 629 O ILE A 53 -21.750 14.550 -7.281 1.00 4.14 O ATOM 630 CB ILE A 53 -24.266 16.445 -6.513 1.00 13.42 C ATOM 631 CG1 ILE A 53 -25.805 16.564 -6.433 1.00 31.31 C ATOM 632 CG2 ILE A 53 -23.747 16.915 -7.903 1.00 15.11 C ATOM 633 CD1 ILE A 53 -26.564 15.699 -7.431 1.00 61.24 C ATOM 0 H ILE A 53 -24.550 15.068 -4.300 1.00 23.43 H new ATOM 0 HA ILE A 53 -24.293 14.402 -7.042 1.00 30.40 H new ATOM 0 HB ILE A 53 -23.847 17.087 -5.739 1.00 13.42 H new ATOM 0 HG12 ILE A 53 -26.124 16.297 -5.426 1.00 31.31 H new ATOM 0 HG13 ILE A 53 -26.084 17.606 -6.590 1.00 31.31 H new ATOM 0 HG21 ILE A 53 -24.067 17.941 -8.083 1.00 15.11 H new ATOM 0 HG22 ILE A 53 -22.658 16.866 -7.920 1.00 15.11 H new ATOM 0 HG23 ILE A 53 -24.152 16.267 -8.681 1.00 15.11 H new ATOM 0 HD11 ILE A 53 -27.636 15.848 -7.301 1.00 61.24 H new ATOM 0 HD12 ILE A 53 -26.279 15.979 -8.445 1.00 61.24 H new ATOM 0 HD13 ILE A 53 -26.321 14.650 -7.262 1.00 61.24 H new ATOM 645 N ARG A 54 -21.710 15.312 -5.181 1.00 41.11 N ATOM 646 CA ARG A 54 -20.254 15.290 -5.059 1.00 12.34 C ATOM 647 C ARG A 54 -19.768 13.866 -5.260 1.00 25.54 C ATOM 648 O ARG A 54 -18.788 13.625 -5.955 1.00 61.44 O ATOM 649 CB ARG A 54 -19.806 15.833 -3.706 1.00 15.12 C ATOM 650 CG ARG A 54 -20.430 17.169 -3.377 1.00 3.13 C ATOM 651 CD ARG A 54 -19.898 17.745 -2.092 1.00 55.44 C ATOM 652 NE ARG A 54 -20.757 18.823 -1.601 1.00 25.24 N ATOM 653 CZ ARG A 54 -20.348 19.944 -1.030 1.00 53.53 C ATOM 654 NH1 ARG A 54 -19.133 20.423 -1.288 1.00 35.34 N1+ ATOM 655 NH2 ARG A 54 -21.214 20.663 -0.320 1.00 54.24 N ATOM 0 H ARG A 54 -22.196 15.627 -4.342 1.00 41.11 H new ATOM 0 HA ARG A 54 -19.819 15.935 -5.822 1.00 12.34 H new ATOM 0 HB2 ARG A 54 -20.064 15.115 -2.928 1.00 15.12 H new ATOM 0 HB3 ARG A 54 -18.721 15.933 -3.701 1.00 15.12 H new ATOM 0 HG2 ARG A 54 -20.240 17.867 -4.192 1.00 3.13 H new ATOM 0 HG3 ARG A 54 -21.511 17.054 -3.301 1.00 3.13 H new ATOM 0 HD2 ARG A 54 -19.829 16.960 -1.339 1.00 55.44 H new ATOM 0 HD3 ARG A 54 -18.888 18.124 -2.251 1.00 55.44 H new ATOM 0 HE ARG A 54 -21.764 18.699 -1.709 1.00 25.24 H new ATOM 0 HH11 ARG A 54 -18.514 19.925 -1.928 1.00 35.34 H new ATOM 0 HH12 ARG A 54 -18.821 21.288 -0.846 1.00 35.34 H new ATOM 0 HH21 ARG A 54 -22.179 20.348 -0.222 1.00 54.24 H new ATOM 0 HH22 ARG A 54 -20.913 21.529 0.126 1.00 54.24 H new ATOM 669 N LEU A 55 -20.518 12.938 -4.699 1.00 41.34 N ATOM 670 CA LEU A 55 -20.287 11.512 -4.859 1.00 22.32 C ATOM 671 C LEU A 55 -20.267 11.115 -6.353 1.00 25.21 C ATOM 672 O LEU A 55 -19.321 10.485 -6.829 1.00 55.02 O ATOM 673 CB LEU A 55 -21.374 10.733 -4.081 1.00 41.02 C ATOM 674 CG LEU A 55 -21.300 10.807 -2.543 1.00 23.01 C ATOM 675 CD1 LEU A 55 -22.334 9.917 -1.900 1.00 33.34 C ATOM 676 CD2 LEU A 55 -19.925 10.431 -2.041 1.00 5.23 C ATOM 0 H LEU A 55 -21.320 13.156 -4.108 1.00 41.34 H new ATOM 0 HA LEU A 55 -19.309 11.257 -4.452 1.00 22.32 H new ATOM 0 HB2 LEU A 55 -22.350 11.103 -4.395 1.00 41.02 H new ATOM 0 HB3 LEU A 55 -21.321 9.685 -4.376 1.00 41.02 H new ATOM 0 HG LEU A 55 -21.505 11.841 -2.264 1.00 23.01 H new ATOM 0 HD11 LEU A 55 -22.255 9.992 -0.815 1.00 33.34 H new ATOM 0 HD12 LEU A 55 -23.330 10.230 -2.214 1.00 33.34 H new ATOM 0 HD13 LEU A 55 -22.166 8.884 -2.205 1.00 33.34 H new ATOM 0 HD21 LEU A 55 -19.905 10.493 -0.953 1.00 5.23 H new ATOM 0 HD22 LEU A 55 -19.691 9.413 -2.351 1.00 5.23 H new ATOM 0 HD23 LEU A 55 -19.186 11.116 -2.457 1.00 5.23 H new ATOM 688 N MET A 56 -21.279 11.525 -7.096 1.00 31.25 N ATOM 689 CA MET A 56 -21.346 11.182 -8.515 1.00 3.51 C ATOM 690 C MET A 56 -20.458 12.067 -9.383 1.00 64.12 C ATOM 691 O MET A 56 -20.162 11.710 -10.535 1.00 35.41 O ATOM 692 CB MET A 56 -22.780 11.094 -9.039 1.00 13.11 C ATOM 693 CG MET A 56 -23.581 12.370 -8.950 1.00 42.43 C ATOM 694 SD MET A 56 -25.320 12.113 -9.337 1.00 53.42 S ATOM 695 CE MET A 56 -25.773 10.936 -8.052 1.00 20.05 C ATOM 0 H MET A 56 -22.057 12.088 -6.753 1.00 31.25 H new ATOM 0 HA MET A 56 -20.935 10.176 -8.594 1.00 3.51 H new ATOM 0 HB2 MET A 56 -22.749 10.776 -10.081 1.00 13.11 H new ATOM 0 HB3 MET A 56 -23.305 10.316 -8.484 1.00 13.11 H new ATOM 0 HG2 MET A 56 -23.492 12.783 -7.945 1.00 42.43 H new ATOM 0 HG3 MET A 56 -23.163 13.107 -9.636 1.00 42.43 H new ATOM 0 HE1 MET A 56 -26.715 11.240 -7.595 1.00 20.05 H new ATOM 0 HE2 MET A 56 -25.886 9.944 -8.490 1.00 20.05 H new ATOM 0 HE3 MET A 56 -24.993 10.910 -7.291 1.00 20.05 H new ATOM 705 N ARG A 57 -20.046 13.233 -8.850 1.00 50.43 N ATOM 706 CA ARG A 57 -19.066 14.068 -9.531 1.00 30.30 C ATOM 707 C ARG A 57 -17.808 13.234 -9.689 1.00 15.24 C ATOM 708 O ARG A 57 -17.240 13.108 -10.775 1.00 61.43 O ATOM 709 CB ARG A 57 -18.675 15.333 -8.724 1.00 34.13 C ATOM 710 CG ARG A 57 -19.759 16.375 -8.555 1.00 3.24 C ATOM 711 CD ARG A 57 -19.250 17.566 -7.753 1.00 65.23 C ATOM 712 NE ARG A 57 -20.334 18.505 -7.405 1.00 3.45 N ATOM 713 CZ ARG A 57 -20.275 19.392 -6.390 1.00 52.21 C ATOM 714 NH1 ARG A 57 -19.196 19.459 -5.630 1.00 52.44 N1+ ATOM 715 NH2 ARG A 57 -21.317 20.189 -6.131 1.00 71.04 N ATOM 0 H ARG A 57 -20.378 13.606 -7.960 1.00 50.43 H new ATOM 0 HA ARG A 57 -19.502 14.396 -10.475 1.00 30.30 H new ATOM 0 HB2 ARG A 57 -18.343 15.020 -7.734 1.00 34.13 H new ATOM 0 HB3 ARG A 57 -17.821 15.802 -9.213 1.00 34.13 H new ATOM 0 HG2 ARG A 57 -20.102 16.711 -9.534 1.00 3.24 H new ATOM 0 HG3 ARG A 57 -20.618 15.933 -8.051 1.00 3.24 H new ATOM 0 HD2 ARG A 57 -18.772 17.210 -6.840 1.00 65.23 H new ATOM 0 HD3 ARG A 57 -18.487 18.091 -8.328 1.00 65.23 H new ATOM 0 HE ARG A 57 -21.184 18.482 -7.969 1.00 3.45 H new ATOM 0 HH11 ARG A 57 -18.406 18.840 -5.810 1.00 52.44 H new ATOM 0 HH12 ARG A 57 -19.153 20.130 -4.863 1.00 52.44 H new ATOM 0 HH21 ARG A 57 -22.160 20.128 -6.702 1.00 71.04 H new ATOM 0 HH22 ARG A 57 -21.269 20.858 -5.363 1.00 71.04 H new ATOM 729 N TRP A 58 -17.432 12.604 -8.573 1.00 32.43 N ATOM 730 CA TRP A 58 -16.264 11.762 -8.492 1.00 74.04 C ATOM 731 C TRP A 58 -16.346 10.546 -9.387 1.00 35.24 C ATOM 732 O TRP A 58 -15.349 10.156 -9.969 1.00 53.10 O ATOM 733 CB TRP A 58 -15.957 11.356 -7.055 1.00 11.41 C ATOM 734 CG TRP A 58 -15.431 12.476 -6.211 1.00 35.45 C ATOM 735 CD1 TRP A 58 -15.918 12.923 -5.012 1.00 1.44 C ATOM 736 CD2 TRP A 58 -14.308 13.303 -6.521 1.00 15.21 C ATOM 737 NE1 TRP A 58 -15.145 13.945 -4.548 1.00 63.11 N ATOM 738 CE2 TRP A 58 -14.147 14.202 -5.465 1.00 42.02 C ATOM 739 CE3 TRP A 58 -13.414 13.358 -7.592 1.00 33.12 C ATOM 740 CZ2 TRP A 58 -13.122 15.141 -5.453 1.00 52.12 C ATOM 741 CZ3 TRP A 58 -12.411 14.291 -7.575 1.00 2.35 C ATOM 742 CH2 TRP A 58 -12.272 15.165 -6.513 1.00 41.42 C ATOM 0 H TRP A 58 -17.946 12.674 -7.695 1.00 32.43 H new ATOM 0 HA TRP A 58 -15.437 12.369 -8.860 1.00 74.04 H new ATOM 0 HB2 TRP A 58 -16.864 10.963 -6.596 1.00 11.41 H new ATOM 0 HB3 TRP A 58 -15.227 10.546 -7.064 1.00 11.41 H new ATOM 0 HD1 TRP A 58 -16.786 12.525 -4.508 1.00 1.44 H new ATOM 0 HE1 TRP A 58 -15.282 14.439 -3.666 1.00 63.11 H new ATOM 0 HE3 TRP A 58 -13.512 12.674 -8.422 1.00 33.12 H new ATOM 0 HZ2 TRP A 58 -13.005 15.829 -4.629 1.00 52.12 H new ATOM 0 HZ3 TRP A 58 -11.719 14.344 -8.403 1.00 2.35 H new ATOM 0 HH2 TRP A 58 -11.467 15.885 -6.526 1.00 41.42 H new ATOM 753 N LEU A 59 -17.534 9.966 -9.521 1.00 4.31 N ATOM 754 CA LEU A 59 -17.743 8.801 -10.398 1.00 24.23 C ATOM 755 C LEU A 59 -17.274 9.103 -11.829 1.00 51.31 C ATOM 756 O LEU A 59 -16.690 8.252 -12.509 1.00 34.41 O ATOM 757 CB LEU A 59 -19.223 8.379 -10.394 1.00 61.45 C ATOM 758 CG LEU A 59 -19.606 7.212 -11.317 1.00 72.02 C ATOM 759 CD1 LEU A 59 -18.827 5.944 -10.977 1.00 23.43 C ATOM 760 CD2 LEU A 59 -21.102 6.955 -11.256 1.00 31.53 C ATOM 0 H LEU A 59 -18.374 10.279 -9.035 1.00 4.31 H new ATOM 0 HA LEU A 59 -17.147 7.974 -10.011 1.00 24.23 H new ATOM 0 HB2 LEU A 59 -19.499 8.112 -9.374 1.00 61.45 H new ATOM 0 HB3 LEU A 59 -19.825 9.244 -10.671 1.00 61.45 H new ATOM 0 HG LEU A 59 -19.340 7.495 -12.335 1.00 72.02 H new ATOM 0 HD11 LEU A 59 -19.126 5.142 -11.651 1.00 23.43 H new ATOM 0 HD12 LEU A 59 -17.759 6.132 -11.088 1.00 23.43 H new ATOM 0 HD13 LEU A 59 -19.039 5.651 -9.949 1.00 23.43 H new ATOM 0 HD21 LEU A 59 -21.356 6.125 -11.916 1.00 31.53 H new ATOM 0 HD22 LEU A 59 -21.387 6.706 -10.234 1.00 31.53 H new ATOM 0 HD23 LEU A 59 -21.638 7.849 -11.575 1.00 31.53 H new ATOM 772 N HIS A 60 -17.484 10.327 -12.251 1.00 43.40 N ATOM 773 CA HIS A 60 -17.078 10.759 -13.570 1.00 34.03 C ATOM 774 C HIS A 60 -15.583 11.020 -13.616 1.00 62.11 C ATOM 775 O HIS A 60 -14.936 10.803 -14.636 1.00 71.32 O ATOM 776 CB HIS A 60 -17.889 11.979 -14.015 1.00 53.43 C ATOM 777 CG HIS A 60 -19.318 11.639 -14.310 1.00 34.40 C ATOM 778 ND1 HIS A 60 -20.331 11.609 -13.370 1.00 24.14 N ATOM 779 CD2 HIS A 60 -19.882 11.256 -15.472 1.00 73.03 C ATOM 780 CE1 HIS A 60 -21.449 11.210 -13.981 1.00 11.31 C ATOM 781 NE2 HIS A 60 -21.227 10.977 -15.269 1.00 35.11 N ATOM 0 H HIS A 60 -17.939 11.050 -11.694 1.00 43.40 H new ATOM 0 HA HIS A 60 -17.287 9.957 -14.278 1.00 34.03 H new ATOM 0 HB2 HIS A 60 -17.853 12.740 -13.235 1.00 53.43 H new ATOM 0 HB3 HIS A 60 -17.430 12.412 -14.904 1.00 53.43 H new ATOM 0 HD1 HIS A 60 -20.240 11.849 -12.383 1.00 24.14 H new ATOM 0 HD2 HIS A 60 -19.366 11.178 -16.418 1.00 73.03 H new ATOM 0 HE1 HIS A 60 -22.405 11.093 -13.493 1.00 11.31 H new ATOM 789 N TRP A 61 -15.035 11.425 -12.490 1.00 23.25 N ATOM 790 CA TRP A 61 -13.616 11.682 -12.366 1.00 13.41 C ATOM 791 C TRP A 61 -12.843 10.347 -12.384 1.00 71.54 C ATOM 792 O TRP A 61 -11.720 10.269 -12.894 1.00 71.44 O ATOM 793 CB TRP A 61 -13.330 12.461 -11.071 1.00 55.05 C ATOM 794 CG TRP A 61 -11.903 12.904 -10.927 1.00 14.33 C ATOM 795 CD1 TRP A 61 -11.392 14.124 -11.238 1.00 11.34 C ATOM 796 CD2 TRP A 61 -10.809 12.129 -10.439 1.00 54.33 C ATOM 797 NE1 TRP A 61 -10.047 14.147 -10.994 1.00 61.20 N ATOM 798 CE2 TRP A 61 -9.671 12.937 -10.503 1.00 33.04 C ATOM 799 CE3 TRP A 61 -10.685 10.822 -9.962 1.00 44.05 C ATOM 800 CZ2 TRP A 61 -8.438 12.493 -10.115 1.00 15.14 C ATOM 801 CZ3 TRP A 61 -9.454 10.385 -9.577 1.00 44.35 C ATOM 802 CH2 TRP A 61 -8.348 11.222 -9.657 1.00 44.21 C ATOM 0 H TRP A 61 -15.563 11.586 -11.632 1.00 23.25 H new ATOM 0 HA TRP A 61 -13.284 12.289 -13.208 1.00 13.41 H new ATOM 0 HB2 TRP A 61 -13.977 13.338 -11.036 1.00 55.05 H new ATOM 0 HB3 TRP A 61 -13.594 11.836 -10.218 1.00 55.05 H new ATOM 0 HD1 TRP A 61 -11.965 14.955 -11.622 1.00 11.34 H new ATOM 0 HE1 TRP A 61 -9.428 14.942 -11.154 1.00 61.20 H new ATOM 0 HE3 TRP A 61 -11.546 10.173 -9.900 1.00 44.05 H new ATOM 0 HZ2 TRP A 61 -7.569 13.131 -10.172 1.00 15.14 H new ATOM 0 HZ3 TRP A 61 -9.336 9.378 -9.206 1.00 44.35 H new ATOM 0 HH2 TRP A 61 -7.385 10.847 -9.344 1.00 44.21 H new ATOM 813 N PHE A 62 -13.426 9.312 -11.799 1.00 71.23 N ATOM 814 CA PHE A 62 -12.835 7.979 -11.846 1.00 51.25 C ATOM 815 C PHE A 62 -12.857 7.470 -13.264 1.00 41.22 C ATOM 816 O PHE A 62 -11.835 7.074 -13.834 1.00 65.32 O ATOM 817 CB PHE A 62 -13.602 6.982 -10.960 1.00 35.21 C ATOM 818 CG PHE A 62 -13.418 7.163 -9.491 1.00 63.24 C ATOM 819 CD1 PHE A 62 -14.426 7.659 -8.696 1.00 22.01 C ATOM 820 CD2 PHE A 62 -12.233 6.820 -8.908 1.00 53.34 C ATOM 821 CE1 PHE A 62 -14.248 7.809 -7.343 1.00 73.03 C ATOM 822 CE2 PHE A 62 -12.042 6.965 -7.554 1.00 3.01 C ATOM 823 CZ PHE A 62 -13.051 7.459 -6.773 1.00 20.24 C ATOM 0 H PHE A 62 -14.306 9.367 -11.287 1.00 71.23 H new ATOM 0 HA PHE A 62 -11.813 8.059 -11.475 1.00 51.25 H new ATOM 0 HB2 PHE A 62 -14.665 7.061 -11.189 1.00 35.21 H new ATOM 0 HB3 PHE A 62 -13.292 5.971 -11.227 1.00 35.21 H new ATOM 0 HD1 PHE A 62 -15.370 7.934 -9.143 1.00 22.01 H new ATOM 0 HD2 PHE A 62 -11.433 6.429 -9.519 1.00 53.34 H new ATOM 0 HE1 PHE A 62 -15.047 8.201 -6.731 1.00 73.03 H new ATOM 0 HE2 PHE A 62 -11.098 6.690 -7.108 1.00 3.01 H new ATOM 0 HZ PHE A 62 -12.905 7.573 -5.709 1.00 20.24 H new ATOM 833 N ARG A 63 -14.017 7.555 -13.848 1.00 54.41 N ATOM 834 CA ARG A 63 -14.281 7.039 -15.167 1.00 23.22 C ATOM 835 C ARG A 63 -13.467 7.809 -16.252 1.00 63.23 C ATOM 836 O ARG A 63 -13.378 7.372 -17.386 1.00 14.05 O ATOM 837 CB ARG A 63 -15.780 7.080 -15.415 1.00 61.31 C ATOM 838 CG ARG A 63 -16.318 5.921 -16.225 1.00 75.11 C ATOM 839 CD ARG A 63 -17.804 6.104 -16.497 1.00 33.21 C ATOM 840 NE ARG A 63 -18.073 7.320 -17.299 1.00 14.21 N ATOM 841 CZ ARG A 63 -19.096 8.179 -17.099 1.00 24.43 C ATOM 842 NH1 ARG A 63 -19.941 8.005 -16.077 1.00 12.04 N1+ ATOM 843 NH2 ARG A 63 -19.260 9.223 -17.921 1.00 15.25 N ATOM 0 H ARG A 63 -14.828 7.995 -13.413 1.00 54.41 H new ATOM 0 HA ARG A 63 -13.950 6.003 -15.234 1.00 23.22 H new ATOM 0 HB2 ARG A 63 -16.293 7.103 -14.454 1.00 61.31 H new ATOM 0 HB3 ARG A 63 -16.024 8.010 -15.929 1.00 61.31 H new ATOM 0 HG2 ARG A 63 -15.776 5.846 -17.168 1.00 75.11 H new ATOM 0 HG3 ARG A 63 -16.153 4.987 -15.688 1.00 75.11 H new ATOM 0 HD2 ARG A 63 -18.187 5.230 -17.023 1.00 33.21 H new ATOM 0 HD3 ARG A 63 -18.341 6.167 -15.551 1.00 33.21 H new ATOM 0 HE ARG A 63 -17.433 7.526 -18.066 1.00 14.21 H new ATOM 0 HH11 ARG A 63 -19.816 7.218 -15.440 1.00 12.04 H new ATOM 0 HH12 ARG A 63 -20.710 8.659 -15.934 1.00 12.04 H new ATOM 0 HH21 ARG A 63 -18.613 9.368 -18.696 1.00 15.25 H new ATOM 0 HH22 ARG A 63 -20.032 9.873 -17.772 1.00 15.25 H new ATOM 857 N LYS A 64 -12.905 8.963 -15.852 1.00 45.22 N ATOM 858 CA LYS A 64 -11.992 9.815 -16.659 1.00 40.24 C ATOM 859 C LYS A 64 -10.869 8.983 -17.297 1.00 22.43 C ATOM 860 O LYS A 64 -10.564 9.136 -18.466 1.00 55.02 O ATOM 861 CB LYS A 64 -11.370 10.867 -15.711 1.00 2.52 C ATOM 862 CG LYS A 64 -10.352 11.847 -16.295 1.00 51.04 C ATOM 863 CD LYS A 64 -9.801 12.816 -15.204 1.00 34.32 C ATOM 864 CE LYS A 64 -8.625 12.252 -14.329 1.00 25.23 C ATOM 865 NZ LYS A 64 -8.913 10.964 -13.638 1.00 10.21 N1+ ATOM 0 H LYS A 64 -13.076 9.349 -14.924 1.00 45.22 H new ATOM 0 HA LYS A 64 -12.556 10.287 -17.464 1.00 40.24 H new ATOM 0 HB2 LYS A 64 -12.184 11.449 -15.278 1.00 2.52 H new ATOM 0 HB3 LYS A 64 -10.888 10.334 -14.891 1.00 2.52 H new ATOM 0 HG2 LYS A 64 -9.526 11.293 -16.741 1.00 51.04 H new ATOM 0 HG3 LYS A 64 -10.818 12.424 -17.094 1.00 51.04 H new ATOM 0 HD2 LYS A 64 -9.461 13.729 -15.692 1.00 34.32 H new ATOM 0 HD3 LYS A 64 -10.621 13.094 -14.543 1.00 34.32 H new ATOM 0 HE2 LYS A 64 -7.751 12.117 -14.966 1.00 25.23 H new ATOM 0 HE3 LYS A 64 -8.361 12.998 -13.579 1.00 25.23 H new ATOM 0 HZ1 LYS A 64 -8.241 10.832 -12.855 1.00 10.21 H new ATOM 0 HZ2 LYS A 64 -9.883 10.981 -13.262 1.00 10.21 H new ATOM 0 HZ3 LYS A 64 -8.817 10.179 -14.313 1.00 10.21 H new ATOM 879 N ASN A 65 -10.278 8.094 -16.513 1.00 64.31 N ATOM 880 CA ASN A 65 -9.161 7.255 -17.003 1.00 24.54 C ATOM 881 C ASN A 65 -9.668 5.868 -17.224 1.00 11.13 C ATOM 882 O ASN A 65 -8.901 4.919 -17.381 1.00 53.21 O ATOM 883 CB ASN A 65 -8.007 7.183 -15.986 1.00 34.03 C ATOM 884 CG ASN A 65 -7.357 8.508 -15.664 1.00 75.32 C ATOM 885 OD1 ASN A 65 -7.983 9.552 -15.743 1.00 31.25 O ATOM 886 ND2 ASN A 65 -6.118 8.474 -15.262 1.00 31.20 N ATOM 0 H ASN A 65 -10.540 7.925 -15.542 1.00 64.31 H new ATOM 0 HA ASN A 65 -8.785 7.701 -17.924 1.00 24.54 H new ATOM 0 HB2 ASN A 65 -8.384 6.746 -15.061 1.00 34.03 H new ATOM 0 HB3 ASN A 65 -7.245 6.505 -16.371 1.00 34.03 H new ATOM 0 HD21 ASN A 65 -5.642 9.338 -15.002 1.00 31.20 H new ATOM 0 HD22 ASN A 65 -5.624 7.583 -15.208 1.00 31.20 H new ATOM 893 N GLY A 66 -10.967 5.752 -17.233 1.00 13.51 N ATOM 894 CA GLY A 66 -11.590 4.483 -17.366 1.00 43.23 C ATOM 895 C GLY A 66 -11.507 3.681 -16.092 1.00 63.24 C ATOM 896 O GLY A 66 -11.510 2.445 -16.142 1.00 54.20 O ATOM 0 H GLY A 66 -11.613 6.536 -17.148 1.00 13.51 H new ATOM 0 HA2 GLY A 66 -12.636 4.619 -17.642 1.00 43.23 H new ATOM 0 HA3 GLY A 66 -11.116 3.929 -18.176 1.00 43.23 H new ATOM 900 N TYR A 67 -11.414 4.365 -14.928 1.00 71.32 N ATOM 901 CA TYR A 67 -11.386 3.656 -13.662 1.00 21.04 C ATOM 902 C TYR A 67 -12.684 2.980 -13.415 1.00 73.12 C ATOM 903 O TYR A 67 -13.710 3.331 -14.004 1.00 42.51 O ATOM 904 CB TYR A 67 -10.930 4.486 -12.463 1.00 14.45 C ATOM 905 CG TYR A 67 -9.472 4.826 -12.516 1.00 63.31 C ATOM 906 CD1 TYR A 67 -8.514 3.822 -12.482 1.00 15.34 C ATOM 907 CD2 TYR A 67 -9.047 6.134 -12.599 1.00 25.04 C ATOM 908 CE1 TYR A 67 -7.175 4.114 -12.539 1.00 1.41 C ATOM 909 CE2 TYR A 67 -7.705 6.438 -12.652 1.00 44.11 C ATOM 910 CZ TYR A 67 -6.773 5.424 -12.626 1.00 42.43 C ATOM 911 OH TYR A 67 -5.439 5.723 -12.700 1.00 23.11 O ATOM 0 H TYR A 67 -11.359 5.381 -14.855 1.00 71.32 H new ATOM 0 HA TYR A 67 -10.606 2.901 -13.765 1.00 21.04 H new ATOM 0 HB2 TYR A 67 -11.512 5.407 -12.421 1.00 14.45 H new ATOM 0 HB3 TYR A 67 -11.137 3.936 -11.545 1.00 14.45 H new ATOM 0 HD1 TYR A 67 -8.829 2.791 -12.409 1.00 15.34 H new ATOM 0 HD2 TYR A 67 -9.776 6.931 -12.623 1.00 25.04 H new ATOM 0 HE1 TYR A 67 -6.443 3.320 -12.516 1.00 1.41 H new ATOM 0 HE2 TYR A 67 -7.384 7.467 -12.714 1.00 44.11 H new ATOM 0 HH TYR A 67 -5.317 6.549 -13.213 1.00 23.11 H new ATOM 921 N ARG A 68 -12.672 2.059 -12.522 1.00 64.10 N ATOM 922 CA ARG A 68 -13.767 1.111 -12.485 1.00 4.23 C ATOM 923 C ARG A 68 -14.293 0.864 -11.109 1.00 34.05 C ATOM 924 O ARG A 68 -13.705 0.116 -10.335 1.00 41.51 O ATOM 925 CB ARG A 68 -13.337 -0.208 -13.173 1.00 44.22 C ATOM 926 CG ARG A 68 -13.058 -0.042 -14.667 1.00 25.03 C ATOM 927 CD ARG A 68 -12.362 -1.246 -15.297 1.00 51.12 C ATOM 928 NE ARG A 68 -11.010 -1.505 -14.729 1.00 60.35 N ATOM 929 CZ ARG A 68 -9.871 -0.830 -15.054 1.00 44.05 C ATOM 930 NH1 ARG A 68 -9.919 0.291 -15.770 1.00 62.10 N1+ ATOM 931 NH2 ARG A 68 -8.699 -1.260 -14.614 1.00 12.11 N ATOM 0 H ARG A 68 -11.946 1.927 -11.817 1.00 64.10 H new ATOM 0 HA ARG A 68 -14.598 1.553 -13.035 1.00 4.23 H new ATOM 0 HB2 ARG A 68 -12.442 -0.591 -12.683 1.00 44.22 H new ATOM 0 HB3 ARG A 68 -14.120 -0.954 -13.036 1.00 44.22 H new ATOM 0 HG2 ARG A 68 -14.000 0.135 -15.186 1.00 25.03 H new ATOM 0 HG3 ARG A 68 -12.440 0.843 -14.816 1.00 25.03 H new ATOM 0 HD2 ARG A 68 -12.983 -2.131 -15.158 1.00 51.12 H new ATOM 0 HD3 ARG A 68 -12.273 -1.085 -16.371 1.00 51.12 H new ATOM 0 HE ARG A 68 -10.929 -2.251 -14.038 1.00 60.35 H new ATOM 0 HH11 ARG A 68 -10.818 0.657 -16.084 1.00 62.10 H new ATOM 0 HH12 ARG A 68 -9.057 0.784 -16.004 1.00 62.10 H new ATOM 0 HH21 ARG A 68 -8.648 -2.096 -14.032 1.00 12.11 H new ATOM 0 HH22 ARG A 68 -7.847 -0.755 -14.857 1.00 12.11 H new ATOM 945 N LEU A 69 -15.377 1.509 -10.799 1.00 32.22 N ATOM 946 CA LEU A 69 -16.049 1.303 -9.540 1.00 45.22 C ATOM 947 C LEU A 69 -17.461 1.802 -9.625 1.00 3.11 C ATOM 948 O LEU A 69 -17.782 2.619 -10.496 1.00 34.43 O ATOM 949 CB LEU A 69 -15.260 1.934 -8.348 1.00 72.20 C ATOM 950 CG LEU A 69 -14.835 3.420 -8.452 1.00 54.22 C ATOM 951 CD1 LEU A 69 -16.009 4.379 -8.316 1.00 41.42 C ATOM 952 CD2 LEU A 69 -13.765 3.731 -7.427 1.00 62.50 C ATOM 0 H LEU A 69 -15.825 2.194 -11.408 1.00 32.22 H new ATOM 0 HA LEU A 69 -16.085 0.233 -9.337 1.00 45.22 H new ATOM 0 HB2 LEU A 69 -15.870 1.825 -7.451 1.00 72.20 H new ATOM 0 HB3 LEU A 69 -14.359 1.341 -8.195 1.00 72.20 H new ATOM 0 HG LEU A 69 -14.428 3.569 -9.452 1.00 54.22 H new ATOM 0 HD11 LEU A 69 -15.652 5.406 -8.397 1.00 41.42 H new ATOM 0 HD12 LEU A 69 -16.732 4.183 -9.108 1.00 41.42 H new ATOM 0 HD13 LEU A 69 -16.485 4.236 -7.346 1.00 41.42 H new ATOM 0 HD21 LEU A 69 -13.475 4.778 -7.510 1.00 62.50 H new ATOM 0 HD22 LEU A 69 -14.153 3.541 -6.426 1.00 62.50 H new ATOM 0 HD23 LEU A 69 -12.895 3.098 -7.605 1.00 62.50 H new ATOM 964 N THR A 70 -18.304 1.302 -8.784 1.00 73.03 N ATOM 965 CA THR A 70 -19.635 1.774 -8.727 1.00 71.20 C ATOM 966 C THR A 70 -19.780 2.643 -7.494 1.00 74.41 C ATOM 967 O THR A 70 -19.186 2.357 -6.456 1.00 2.41 O ATOM 968 CB THR A 70 -20.686 0.614 -8.735 1.00 52.12 C ATOM 969 OG1 THR A 70 -20.456 -0.320 -7.657 1.00 31.35 O ATOM 970 CG2 THR A 70 -20.664 -0.133 -10.061 1.00 60.15 C ATOM 0 H THR A 70 -18.085 0.558 -8.122 1.00 73.03 H new ATOM 0 HA THR A 70 -19.839 2.359 -9.624 1.00 71.20 H new ATOM 0 HB THR A 70 -21.665 1.073 -8.596 1.00 52.12 H new ATOM 0 HG1 THR A 70 -19.567 -0.721 -7.756 1.00 31.35 H new ATOM 0 HG21 THR A 70 -21.403 -0.934 -10.040 1.00 60.15 H new ATOM 0 HG22 THR A 70 -20.899 0.557 -10.871 1.00 60.15 H new ATOM 0 HG23 THR A 70 -19.673 -0.558 -10.223 1.00 60.15 H new ATOM 978 N LEU A 71 -20.551 3.706 -7.600 1.00 53.24 N ATOM 979 CA LEU A 71 -20.752 4.639 -6.486 1.00 52.55 C ATOM 980 C LEU A 71 -21.405 3.922 -5.310 1.00 70.52 C ATOM 981 O LEU A 71 -21.245 4.303 -4.165 1.00 43.24 O ATOM 982 CB LEU A 71 -21.637 5.754 -6.938 1.00 74.15 C ATOM 983 CG LEU A 71 -21.744 6.955 -6.029 1.00 73.32 C ATOM 984 CD1 LEU A 71 -20.387 7.519 -5.837 1.00 22.12 C ATOM 985 CD2 LEU A 71 -22.680 7.991 -6.623 1.00 15.22 C ATOM 0 H LEU A 71 -21.057 3.955 -8.450 1.00 53.24 H new ATOM 0 HA LEU A 71 -19.786 5.032 -6.169 1.00 52.55 H new ATOM 0 HB2 LEU A 71 -21.282 6.096 -7.910 1.00 74.15 H new ATOM 0 HB3 LEU A 71 -22.639 5.352 -7.088 1.00 74.15 H new ATOM 0 HG LEU A 71 -22.156 6.656 -5.065 1.00 73.32 H new ATOM 0 HD11 LEU A 71 -20.444 8.389 -5.182 1.00 22.12 H new ATOM 0 HD12 LEU A 71 -19.741 6.766 -5.385 1.00 22.12 H new ATOM 0 HD13 LEU A 71 -19.977 7.817 -6.802 1.00 22.12 H new ATOM 0 HD21 LEU A 71 -22.745 8.849 -5.954 1.00 15.22 H new ATOM 0 HD22 LEU A 71 -22.298 8.314 -7.591 1.00 15.22 H new ATOM 0 HD23 LEU A 71 -23.671 7.555 -6.751 1.00 15.22 H new ATOM 997 N ARG A 72 -22.112 2.855 -5.640 1.00 2.50 N ATOM 998 CA ARG A 72 -22.758 1.947 -4.698 1.00 20.00 C ATOM 999 C ARG A 72 -21.736 1.433 -3.666 1.00 73.24 C ATOM 1000 O ARG A 72 -22.077 1.141 -2.529 1.00 53.34 O ATOM 1001 CB ARG A 72 -23.397 0.797 -5.554 1.00 64.41 C ATOM 1002 CG ARG A 72 -23.995 -0.417 -4.867 1.00 40.32 C ATOM 1003 CD ARG A 72 -22.929 -1.375 -4.449 1.00 24.23 C ATOM 1004 NE ARG A 72 -22.090 -1.837 -5.584 1.00 60.34 N ATOM 1005 CZ ARG A 72 -21.435 -3.009 -5.653 1.00 71.43 C ATOM 1006 NH1 ARG A 72 -21.596 -3.937 -4.701 1.00 60.40 N1+ ATOM 1007 NH2 ARG A 72 -20.612 -3.238 -6.679 1.00 35.04 N ATOM 0 H ARG A 72 -22.260 2.583 -6.612 1.00 2.50 H new ATOM 0 HA ARG A 72 -23.537 2.442 -4.117 1.00 20.00 H new ATOM 0 HB2 ARG A 72 -24.182 1.244 -6.163 1.00 64.41 H new ATOM 0 HB3 ARG A 72 -22.629 0.437 -6.238 1.00 64.41 H new ATOM 0 HG2 ARG A 72 -24.567 -0.101 -3.995 1.00 40.32 H new ATOM 0 HG3 ARG A 72 -24.692 -0.915 -5.542 1.00 40.32 H new ATOM 0 HD2 ARG A 72 -22.292 -0.899 -3.703 1.00 24.23 H new ATOM 0 HD3 ARG A 72 -23.391 -2.238 -3.970 1.00 24.23 H new ATOM 0 HE ARG A 72 -22.003 -1.209 -6.383 1.00 60.34 H new ATOM 0 HH11 ARG A 72 -22.220 -3.758 -3.914 1.00 60.40 H new ATOM 0 HH12 ARG A 72 -21.095 -4.823 -4.763 1.00 60.40 H new ATOM 0 HH21 ARG A 72 -20.486 -2.527 -7.400 1.00 35.04 H new ATOM 0 HH22 ARG A 72 -20.110 -4.123 -6.742 1.00 35.04 H new ATOM 1021 N GLU A 73 -20.494 1.376 -4.080 1.00 35.51 N ATOM 1022 CA GLU A 73 -19.412 0.865 -3.234 1.00 71.42 C ATOM 1023 C GLU A 73 -18.851 1.977 -2.364 1.00 42.24 C ATOM 1024 O GLU A 73 -18.413 1.752 -1.235 1.00 55.42 O ATOM 1025 CB GLU A 73 -18.323 0.260 -4.112 1.00 32.03 C ATOM 1026 CG GLU A 73 -18.827 -0.896 -4.937 1.00 74.30 C ATOM 1027 CD GLU A 73 -17.872 -1.353 -6.014 1.00 75.21 C ATOM 1028 OE1 GLU A 73 -17.891 -0.751 -7.119 1.00 31.22 O ATOM 1029 OE2 GLU A 73 -17.147 -2.346 -5.814 1.00 14.42 O1- ATOM 0 H GLU A 73 -20.192 1.678 -5.006 1.00 35.51 H new ATOM 0 HA GLU A 73 -19.804 0.090 -2.575 1.00 71.42 H new ATOM 0 HB2 GLU A 73 -17.925 1.029 -4.774 1.00 32.03 H new ATOM 0 HB3 GLU A 73 -17.499 -0.078 -3.483 1.00 32.03 H new ATOM 0 HG2 GLU A 73 -19.038 -1.735 -4.274 1.00 74.30 H new ATOM 0 HG3 GLU A 73 -19.771 -0.612 -5.402 1.00 74.30 H new ATOM 1036 N LEU A 74 -18.940 3.187 -2.877 1.00 70.41 N ATOM 1037 CA LEU A 74 -18.399 4.365 -2.208 1.00 62.20 C ATOM 1038 C LEU A 74 -19.290 4.783 -1.042 1.00 61.34 C ATOM 1039 O LEU A 74 -18.852 5.483 -0.136 1.00 70.12 O ATOM 1040 CB LEU A 74 -18.204 5.519 -3.210 1.00 55.43 C ATOM 1041 CG LEU A 74 -17.383 5.173 -4.477 1.00 52.24 C ATOM 1042 CD1 LEU A 74 -17.087 6.403 -5.311 1.00 31.14 C ATOM 1043 CD2 LEU A 74 -16.099 4.453 -4.127 1.00 34.31 C ATOM 0 H LEU A 74 -19.389 3.388 -3.771 1.00 70.41 H new ATOM 0 HA LEU A 74 -17.421 4.111 -1.801 1.00 62.20 H new ATOM 0 HB2 LEU A 74 -19.186 5.876 -3.521 1.00 55.43 H new ATOM 0 HB3 LEU A 74 -17.713 6.345 -2.695 1.00 55.43 H new ATOM 0 HG LEU A 74 -17.999 4.502 -5.075 1.00 52.24 H new ATOM 0 HD11 LEU A 74 -16.510 6.116 -6.190 1.00 31.14 H new ATOM 0 HD12 LEU A 74 -18.024 6.863 -5.626 1.00 31.14 H new ATOM 0 HD13 LEU A 74 -16.515 7.116 -4.718 1.00 31.14 H new ATOM 0 HD21 LEU A 74 -15.549 4.226 -5.040 1.00 34.31 H new ATOM 0 HD22 LEU A 74 -15.489 5.088 -3.484 1.00 34.31 H new ATOM 0 HD23 LEU A 74 -16.333 3.526 -3.604 1.00 34.31 H new ATOM 1055 N TYR A 75 -20.550 4.360 -1.089 1.00 34.32 N ATOM 1056 CA TYR A 75 -21.466 4.566 0.030 1.00 24.02 C ATOM 1057 C TYR A 75 -21.195 3.534 1.114 1.00 71.05 C ATOM 1058 O TYR A 75 -21.298 3.828 2.299 1.00 60.54 O ATOM 1059 CB TYR A 75 -22.933 4.412 -0.387 1.00 2.52 C ATOM 1060 CG TYR A 75 -23.543 5.515 -1.207 1.00 64.11 C ATOM 1061 CD1 TYR A 75 -23.567 5.456 -2.586 1.00 22.14 C ATOM 1062 CD2 TYR A 75 -24.149 6.594 -0.585 1.00 22.35 C ATOM 1063 CE1 TYR A 75 -24.174 6.442 -3.329 1.00 61.44 C ATOM 1064 CE2 TYR A 75 -24.752 7.588 -1.316 1.00 22.22 C ATOM 1065 CZ TYR A 75 -24.764 7.507 -2.691 1.00 43.44 C ATOM 1066 OH TYR A 75 -25.379 8.491 -3.428 1.00 52.41 O ATOM 0 H TYR A 75 -20.960 3.874 -1.887 1.00 34.32 H new ATOM 0 HA TYR A 75 -21.298 5.581 0.389 1.00 24.02 H new ATOM 0 HB2 TYR A 75 -23.026 3.484 -0.950 1.00 2.52 H new ATOM 0 HB3 TYR A 75 -23.529 4.297 0.518 1.00 2.52 H new ATOM 0 HD1 TYR A 75 -23.102 4.622 -3.090 1.00 22.14 H new ATOM 0 HD2 TYR A 75 -24.147 6.655 0.493 1.00 22.35 H new ATOM 0 HE1 TYR A 75 -24.187 6.380 -4.407 1.00 61.44 H new ATOM 0 HE2 TYR A 75 -25.213 8.427 -0.816 1.00 22.22 H new ATOM 0 HH TYR A 75 -25.732 8.106 -4.257 1.00 52.41 H new ATOM 1076 N ALA A 76 -20.856 2.320 0.681 1.00 65.51 N ATOM 1077 CA ALA A 76 -20.638 1.196 1.585 1.00 55.35 C ATOM 1078 C ALA A 76 -19.411 1.425 2.444 1.00 42.22 C ATOM 1079 O ALA A 76 -19.436 1.215 3.656 1.00 23.43 O ATOM 1080 CB ALA A 76 -20.512 -0.103 0.797 1.00 63.44 C ATOM 0 H ALA A 76 -20.726 2.090 -0.304 1.00 65.51 H new ATOM 0 HA ALA A 76 -21.501 1.115 2.246 1.00 55.35 H new ATOM 0 HB1 ALA A 76 -20.350 -0.932 1.486 1.00 63.44 H new ATOM 0 HB2 ALA A 76 -21.427 -0.275 0.231 1.00 63.44 H new ATOM 0 HB3 ALA A 76 -19.669 -0.032 0.110 1.00 63.44 H new ATOM 1086 N ALA A 77 -18.346 1.848 1.822 1.00 10.54 N ATOM 1087 CA ALA A 77 -17.151 2.170 2.538 1.00 54.41 C ATOM 1088 C ALA A 77 -16.702 3.561 2.148 1.00 42.40 C ATOM 1089 O ALA A 77 -15.937 3.741 1.198 1.00 60.34 O ATOM 1090 CB ALA A 77 -16.056 1.140 2.291 1.00 55.13 C ATOM 0 H ALA A 77 -18.285 1.977 0.812 1.00 10.54 H new ATOM 0 HA ALA A 77 -17.360 2.149 3.608 1.00 54.41 H new ATOM 0 HB1 ALA A 77 -15.163 1.417 2.851 1.00 55.13 H new ATOM 0 HB2 ALA A 77 -16.399 0.158 2.618 1.00 55.13 H new ATOM 0 HB3 ALA A 77 -15.821 1.106 1.227 1.00 55.13 H new ATOM 1096 N PRO A 78 -17.207 4.586 2.822 1.00 41.21 N ATOM 1097 CA PRO A 78 -16.882 5.922 2.474 1.00 13.23 C ATOM 1098 C PRO A 78 -15.664 6.444 3.208 1.00 74.30 C ATOM 1099 O PRO A 78 -15.765 7.071 4.254 1.00 60.02 O ATOM 1100 CB PRO A 78 -18.127 6.704 2.860 1.00 1.20 C ATOM 1101 CG PRO A 78 -18.844 5.863 3.889 1.00 62.41 C ATOM 1102 CD PRO A 78 -18.148 4.525 3.945 1.00 11.12 C ATOM 0 HA PRO A 78 -16.620 6.011 1.420 1.00 13.23 H new ATOM 0 HB2 PRO A 78 -17.864 7.680 3.268 1.00 1.20 H new ATOM 0 HB3 PRO A 78 -18.761 6.882 1.991 1.00 1.20 H new ATOM 0 HG2 PRO A 78 -18.821 6.348 4.865 1.00 62.41 H new ATOM 0 HG3 PRO A 78 -19.893 5.739 3.620 1.00 62.41 H new ATOM 0 HD2 PRO A 78 -17.632 4.379 4.894 1.00 11.12 H new ATOM 0 HD3 PRO A 78 -18.852 3.700 3.835 1.00 11.12 H new ATOM 1110 N THR A 79 -14.536 6.179 2.645 1.00 64.10 N ATOM 1111 CA THR A 79 -13.258 6.641 3.111 1.00 75.30 C ATOM 1112 C THR A 79 -12.421 6.760 1.891 1.00 34.11 C ATOM 1113 O THR A 79 -12.628 5.979 0.966 1.00 64.43 O ATOM 1114 CB THR A 79 -12.580 5.618 4.064 1.00 14.53 C ATOM 1115 OG1 THR A 79 -12.661 4.296 3.505 1.00 61.32 O ATOM 1116 CG2 THR A 79 -13.190 5.634 5.447 1.00 53.41 C ATOM 0 H THR A 79 -14.468 5.606 1.804 1.00 64.10 H new ATOM 0 HA THR A 79 -13.373 7.574 3.663 1.00 75.30 H new ATOM 0 HB THR A 79 -11.535 5.910 4.166 1.00 14.53 H new ATOM 0 HG1 THR A 79 -12.230 3.658 4.111 1.00 61.32 H new ATOM 0 HG21 THR A 79 -12.683 4.903 6.077 1.00 53.41 H new ATOM 0 HG22 THR A 79 -13.078 6.627 5.882 1.00 53.41 H new ATOM 0 HG23 THR A 79 -14.249 5.384 5.381 1.00 53.41 H new ATOM 1124 N LEU A 80 -11.507 7.712 1.846 1.00 32.54 N ATOM 1125 CA LEU A 80 -10.651 7.868 0.675 1.00 11.30 C ATOM 1126 C LEU A 80 -10.002 6.552 0.291 1.00 71.41 C ATOM 1127 O LEU A 80 -10.020 6.149 -0.874 1.00 60.10 O ATOM 1128 CB LEU A 80 -9.542 8.800 0.952 1.00 53.21 C ATOM 1129 CG LEU A 80 -9.868 10.262 1.122 1.00 52.33 C ATOM 1130 CD1 LEU A 80 -8.634 10.969 1.552 1.00 4.23 C ATOM 1131 CD2 LEU A 80 -10.334 10.860 -0.183 1.00 23.33 C ATOM 0 H LEU A 80 -11.336 8.383 2.595 1.00 32.54 H new ATOM 0 HA LEU A 80 -11.293 8.239 -0.124 1.00 11.30 H new ATOM 0 HB2 LEU A 80 -9.042 8.462 1.860 1.00 53.21 H new ATOM 0 HB3 LEU A 80 -8.821 8.712 0.139 1.00 53.21 H new ATOM 0 HG LEU A 80 -10.662 10.367 1.862 1.00 52.33 H new ATOM 0 HD11 LEU A 80 -8.849 12.030 1.681 1.00 4.23 H new ATOM 0 HD12 LEU A 80 -8.286 10.552 2.497 1.00 4.23 H new ATOM 0 HD13 LEU A 80 -7.861 10.845 0.794 1.00 4.23 H new ATOM 0 HD21 LEU A 80 -10.564 11.916 -0.038 1.00 23.33 H new ATOM 0 HD22 LEU A 80 -9.547 10.759 -0.931 1.00 23.33 H new ATOM 0 HD23 LEU A 80 -11.228 10.337 -0.524 1.00 23.33 H new ATOM 1143 N ALA A 81 -9.449 5.890 1.307 1.00 25.10 N ATOM 1144 CA ALA A 81 -8.760 4.603 1.162 1.00 23.10 C ATOM 1145 C ALA A 81 -9.571 3.603 0.356 1.00 53.01 C ATOM 1146 O ALA A 81 -9.035 2.971 -0.535 1.00 33.51 O ATOM 1147 CB ALA A 81 -8.411 4.012 2.519 1.00 61.24 C ATOM 0 H ALA A 81 -9.466 6.235 2.267 1.00 25.10 H new ATOM 0 HA ALA A 81 -7.839 4.805 0.614 1.00 23.10 H new ATOM 0 HB1 ALA A 81 -7.901 3.059 2.380 1.00 61.24 H new ATOM 0 HB2 ALA A 81 -7.757 4.698 3.057 1.00 61.24 H new ATOM 0 HB3 ALA A 81 -9.324 3.855 3.093 1.00 61.24 H new ATOM 1153 N ALA A 82 -10.864 3.506 0.636 1.00 21.35 N ATOM 1154 CA ALA A 82 -11.726 2.560 -0.060 1.00 3.14 C ATOM 1155 C ALA A 82 -11.952 2.958 -1.507 1.00 72.25 C ATOM 1156 O ALA A 82 -11.846 2.124 -2.377 1.00 62.55 O ATOM 1157 CB ALA A 82 -13.047 2.396 0.651 1.00 22.12 C ATOM 0 H ALA A 82 -11.339 4.071 1.340 1.00 21.35 H new ATOM 0 HA ALA A 82 -11.209 1.600 -0.055 1.00 3.14 H new ATOM 0 HB1 ALA A 82 -13.667 1.684 0.107 1.00 22.12 H new ATOM 0 HB2 ALA A 82 -12.873 2.027 1.662 1.00 22.12 H new ATOM 0 HB3 ALA A 82 -13.556 3.358 0.699 1.00 22.12 H new ATOM 1163 N TRP A 83 -12.220 4.246 -1.778 1.00 63.31 N ATOM 1164 CA TRP A 83 -12.462 4.686 -3.176 1.00 32.13 C ATOM 1165 C TRP A 83 -11.176 4.445 -3.982 1.00 4.43 C ATOM 1166 O TRP A 83 -11.200 4.048 -5.150 1.00 54.43 O ATOM 1167 CB TRP A 83 -12.848 6.192 -3.297 1.00 34.51 C ATOM 1168 CG TRP A 83 -13.970 6.708 -2.439 1.00 20.12 C ATOM 1169 CD1 TRP A 83 -14.393 6.256 -1.238 1.00 61.23 C ATOM 1170 CD2 TRP A 83 -14.778 7.836 -2.740 1.00 55.25 C ATOM 1171 NE1 TRP A 83 -15.451 7.000 -0.795 1.00 2.14 N ATOM 1172 CE2 TRP A 83 -15.703 7.981 -1.700 1.00 74.12 C ATOM 1173 CE3 TRP A 83 -14.818 8.731 -3.804 1.00 32.14 C ATOM 1174 CZ2 TRP A 83 -16.653 8.984 -1.693 1.00 33.13 C ATOM 1175 CZ3 TRP A 83 -15.753 9.723 -3.794 1.00 72.41 C ATOM 1176 CH2 TRP A 83 -16.658 9.845 -2.751 1.00 25.04 C ATOM 0 H TRP A 83 -12.275 4.986 -1.078 1.00 63.31 H new ATOM 0 HA TRP A 83 -13.306 4.111 -3.556 1.00 32.13 H new ATOM 0 HB2 TRP A 83 -11.959 6.783 -3.074 1.00 34.51 H new ATOM 0 HB3 TRP A 83 -13.108 6.387 -4.338 1.00 34.51 H new ATOM 0 HD1 TRP A 83 -13.957 5.425 -0.704 1.00 61.23 H new ATOM 0 HE1 TRP A 83 -15.966 6.844 0.072 1.00 2.14 H new ATOM 0 HE3 TRP A 83 -14.121 8.642 -4.624 1.00 32.14 H new ATOM 0 HZ2 TRP A 83 -17.362 9.082 -0.884 1.00 33.13 H new ATOM 0 HZ3 TRP A 83 -15.789 10.426 -4.613 1.00 72.41 H new ATOM 0 HH2 TRP A 83 -17.386 10.642 -2.777 1.00 25.04 H new ATOM 1187 N ASN A 84 -10.060 4.665 -3.307 1.00 73.11 N ATOM 1188 CA ASN A 84 -8.723 4.447 -3.848 1.00 72.40 C ATOM 1189 C ASN A 84 -8.509 2.965 -4.114 1.00 54.54 C ATOM 1190 O ASN A 84 -8.072 2.561 -5.193 1.00 12.34 O ATOM 1191 CB ASN A 84 -7.691 4.950 -2.832 1.00 44.13 C ATOM 1192 CG ASN A 84 -6.262 4.716 -3.246 1.00 33.21 C ATOM 1193 OD1 ASN A 84 -5.680 5.520 -3.936 1.00 31.41 O ATOM 1194 ND2 ASN A 84 -5.676 3.638 -2.789 1.00 44.03 N ATOM 0 H ASN A 84 -10.055 5.008 -2.346 1.00 73.11 H new ATOM 0 HA ASN A 84 -8.611 4.990 -4.786 1.00 72.40 H new ATOM 0 HB2 ASN A 84 -7.843 6.018 -2.673 1.00 44.13 H new ATOM 0 HB3 ASN A 84 -7.867 4.457 -1.876 1.00 44.13 H new ATOM 0 HD21 ASN A 84 -4.698 3.455 -3.013 1.00 44.03 H new ATOM 0 HD22 ASN A 84 -6.198 2.981 -2.209 1.00 44.03 H new ATOM 1201 N GLN A 85 -8.843 2.168 -3.122 1.00 11.43 N ATOM 1202 CA GLN A 85 -8.753 0.728 -3.179 1.00 11.34 C ATOM 1203 C GLN A 85 -9.594 0.193 -4.324 1.00 14.40 C ATOM 1204 O GLN A 85 -9.153 -0.658 -5.073 1.00 14.11 O ATOM 1205 CB GLN A 85 -9.222 0.142 -1.839 1.00 43.52 C ATOM 1206 CG GLN A 85 -9.338 -1.365 -1.792 1.00 55.14 C ATOM 1207 CD GLN A 85 -9.768 -1.877 -0.435 1.00 63.02 C ATOM 1208 OE1 GLN A 85 -10.477 -1.208 0.300 1.00 54.52 O ATOM 1209 NE2 GLN A 85 -9.348 -3.067 -0.097 1.00 34.13 N ATOM 0 H GLN A 85 -9.194 2.515 -2.230 1.00 11.43 H new ATOM 0 HA GLN A 85 -7.719 0.433 -3.356 1.00 11.34 H new ATOM 0 HB2 GLN A 85 -8.528 0.460 -1.061 1.00 43.52 H new ATOM 0 HB3 GLN A 85 -10.194 0.571 -1.595 1.00 43.52 H new ATOM 0 HG2 GLN A 85 -10.056 -1.693 -2.544 1.00 55.14 H new ATOM 0 HG3 GLN A 85 -8.377 -1.807 -2.055 1.00 55.14 H new ATOM 0 HE21 GLN A 85 -8.757 -3.599 -0.735 1.00 34.13 H new ATOM 0 HE22 GLN A 85 -9.612 -3.464 0.805 1.00 34.13 H new ATOM 1218 N LEU A 86 -10.773 0.734 -4.471 1.00 55.43 N ATOM 1219 CA LEU A 86 -11.697 0.315 -5.490 1.00 22.40 C ATOM 1220 C LEU A 86 -11.220 0.611 -6.910 1.00 44.22 C ATOM 1221 O LEU A 86 -11.569 -0.108 -7.819 1.00 63.32 O ATOM 1222 CB LEU A 86 -13.074 0.870 -5.210 1.00 31.13 C ATOM 1223 CG LEU A 86 -13.709 0.335 -3.927 1.00 64.32 C ATOM 1224 CD1 LEU A 86 -14.957 1.081 -3.615 1.00 42.03 C ATOM 1225 CD2 LEU A 86 -14.000 -1.158 -4.033 1.00 34.14 C ATOM 0 H LEU A 86 -11.123 1.487 -3.879 1.00 55.43 H new ATOM 0 HA LEU A 86 -11.753 -0.773 -5.444 1.00 22.40 H new ATOM 0 HB2 LEU A 86 -13.011 1.956 -5.147 1.00 31.13 H new ATOM 0 HB3 LEU A 86 -13.727 0.637 -6.051 1.00 31.13 H new ATOM 0 HG LEU A 86 -12.996 0.483 -3.116 1.00 64.32 H new ATOM 0 HD11 LEU A 86 -15.397 0.688 -2.698 1.00 42.03 H new ATOM 0 HD12 LEU A 86 -14.726 2.138 -3.482 1.00 42.03 H new ATOM 0 HD13 LEU A 86 -15.665 0.965 -4.436 1.00 42.03 H new ATOM 0 HD21 LEU A 86 -14.451 -1.508 -3.104 1.00 34.14 H new ATOM 0 HD22 LEU A 86 -14.687 -1.337 -4.860 1.00 34.14 H new ATOM 0 HD23 LEU A 86 -13.070 -1.698 -4.210 1.00 34.14 H new ATOM 1237 N MET A 87 -10.417 1.657 -7.113 1.00 33.32 N ATOM 1238 CA MET A 87 -9.856 1.871 -8.457 1.00 74.44 C ATOM 1239 C MET A 87 -8.621 0.994 -8.664 1.00 43.14 C ATOM 1240 O MET A 87 -8.397 0.454 -9.763 1.00 44.12 O ATOM 1241 CB MET A 87 -9.509 3.353 -8.798 1.00 24.21 C ATOM 1242 CG MET A 87 -8.456 4.012 -7.908 1.00 44.35 C ATOM 1243 SD MET A 87 -7.582 5.383 -8.718 1.00 14.04 S ATOM 1244 CE MET A 87 -8.925 6.472 -9.192 1.00 55.31 C ATOM 0 H MET A 87 -10.148 2.341 -6.406 1.00 33.32 H new ATOM 0 HA MET A 87 -10.653 1.587 -9.144 1.00 74.44 H new ATOM 0 HB2 MET A 87 -9.163 3.397 -9.831 1.00 24.21 H new ATOM 0 HB3 MET A 87 -10.424 3.942 -8.743 1.00 24.21 H new ATOM 0 HG2 MET A 87 -8.937 4.382 -7.002 1.00 44.35 H new ATOM 0 HG3 MET A 87 -7.730 3.260 -7.599 1.00 44.35 H new ATOM 0 HE1 MET A 87 -8.528 7.314 -9.759 1.00 55.31 H new ATOM 0 HE2 MET A 87 -9.638 5.924 -9.807 1.00 55.31 H new ATOM 0 HE3 MET A 87 -9.427 6.842 -8.298 1.00 55.31 H new ATOM 1254 N LEU A 88 -7.838 0.843 -7.600 1.00 44.14 N ATOM 1255 CA LEU A 88 -6.603 0.083 -7.638 1.00 71.41 C ATOM 1256 C LEU A 88 -6.889 -1.418 -7.799 1.00 32.02 C ATOM 1257 O LEU A 88 -6.252 -2.078 -8.584 1.00 34.02 O ATOM 1258 CB LEU A 88 -5.745 0.412 -6.367 1.00 31.23 C ATOM 1259 CG LEU A 88 -4.252 -0.032 -6.337 1.00 22.13 C ATOM 1260 CD1 LEU A 88 -4.092 -1.530 -6.117 1.00 33.30 C ATOM 1261 CD2 LEU A 88 -3.580 0.378 -7.629 1.00 34.10 C ATOM 0 H LEU A 88 -8.047 1.247 -6.687 1.00 44.14 H new ATOM 0 HA LEU A 88 -6.018 0.373 -8.511 1.00 71.41 H new ATOM 0 HB2 LEU A 88 -5.772 1.492 -6.221 1.00 31.23 H new ATOM 0 HB3 LEU A 88 -6.241 -0.039 -5.507 1.00 31.23 H new ATOM 0 HG LEU A 88 -3.777 0.465 -5.491 1.00 22.13 H new ATOM 0 HD11 LEU A 88 -3.032 -1.785 -6.105 1.00 33.30 H new ATOM 0 HD12 LEU A 88 -4.543 -1.808 -5.165 1.00 33.30 H new ATOM 0 HD13 LEU A 88 -4.586 -2.071 -6.924 1.00 33.30 H new ATOM 0 HD21 LEU A 88 -2.535 0.068 -7.610 1.00 34.10 H new ATOM 0 HD22 LEU A 88 -4.085 -0.099 -8.469 1.00 34.10 H new ATOM 0 HD23 LEU A 88 -3.635 1.461 -7.740 1.00 34.10 H new ATOM 1273 N SER A 89 -7.915 -1.915 -7.127 1.00 53.33 N ATOM 1274 CA SER A 89 -8.262 -3.352 -7.153 1.00 62.12 C ATOM 1275 C SER A 89 -8.939 -3.775 -8.477 1.00 61.44 C ATOM 1276 O SER A 89 -9.620 -4.799 -8.545 1.00 71.35 O ATOM 1277 CB SER A 89 -9.175 -3.683 -5.970 1.00 45.41 C ATOM 1278 OG SER A 89 -8.582 -3.277 -4.745 1.00 1.25 O ATOM 0 H SER A 89 -8.535 -1.349 -6.548 1.00 53.33 H new ATOM 0 HA SER A 89 -7.331 -3.913 -7.076 1.00 62.12 H new ATOM 0 HB2 SER A 89 -10.136 -3.185 -6.096 1.00 45.41 H new ATOM 0 HB3 SER A 89 -9.372 -4.755 -5.946 1.00 45.41 H new ATOM 0 HG SER A 89 -8.687 -2.309 -4.636 1.00 1.25 H new ATOM 1284 N ARG A 90 -8.773 -2.979 -9.506 1.00 53.50 N ATOM 1285 CA ARG A 90 -9.281 -3.312 -10.818 1.00 72.33 C ATOM 1286 C ARG A 90 -8.136 -3.158 -11.801 1.00 22.14 C ATOM 1287 O ARG A 90 -8.304 -3.373 -13.005 1.00 31.42 O ATOM 1288 CB ARG A 90 -10.349 -2.320 -11.279 1.00 44.22 C ATOM 1289 CG ARG A 90 -11.366 -1.863 -10.261 1.00 75.40 C ATOM 1290 CD ARG A 90 -12.278 -2.947 -9.712 1.00 43.24 C ATOM 1291 NE ARG A 90 -13.366 -2.303 -8.958 1.00 73.33 N ATOM 1292 CZ ARG A 90 -14.152 -2.849 -8.022 1.00 42.13 C ATOM 1293 NH1 ARG A 90 -13.941 -4.093 -7.592 1.00 71.32 N1+ ATOM 1294 NH2 ARG A 90 -15.134 -2.124 -7.502 1.00 24.01 N ATOM 0 H ARG A 90 -8.284 -2.085 -9.460 1.00 53.50 H new ATOM 0 HA ARG A 90 -9.699 -4.318 -10.775 1.00 72.33 H new ATOM 0 HB2 ARG A 90 -9.842 -1.437 -11.667 1.00 44.22 H new ATOM 0 HB3 ARG A 90 -10.888 -2.770 -12.113 1.00 44.22 H new ATOM 0 HG2 ARG A 90 -10.837 -1.402 -9.427 1.00 75.40 H new ATOM 0 HG3 ARG A 90 -11.984 -1.088 -10.714 1.00 75.40 H new ATOM 0 HD2 ARG A 90 -12.685 -3.548 -10.525 1.00 43.24 H new ATOM 0 HD3 ARG A 90 -11.717 -3.623 -9.066 1.00 43.24 H new ATOM 0 HE ARG A 90 -13.542 -1.322 -9.175 1.00 73.33 H new ATOM 0 HH11 ARG A 90 -13.172 -4.642 -7.977 1.00 71.32 H new ATOM 0 HH12 ARG A 90 -14.548 -4.496 -6.878 1.00 71.32 H new ATOM 0 HH21 ARG A 90 -15.281 -1.165 -7.816 1.00 24.01 H new ATOM 0 HH22 ARG A 90 -15.742 -2.526 -6.788 1.00 24.01 H new ATOM 1308 N SER A 91 -7.000 -2.749 -11.291 1.00 11.25 N ATOM 1309 CA SER A 91 -5.874 -2.363 -12.096 1.00 74.24 C ATOM 1310 C SER A 91 -4.606 -2.970 -11.478 1.00 52.54 C ATOM 1311 O SER A 91 -4.701 -3.630 -10.447 1.00 52.42 O ATOM 1312 CB SER A 91 -5.806 -0.816 -12.046 1.00 24.51 C ATOM 1313 OG SER A 91 -7.073 -0.236 -12.384 1.00 24.55 O ATOM 0 H SER A 91 -6.832 -2.675 -10.288 1.00 11.25 H new ATOM 0 HA SER A 91 -5.963 -2.709 -13.126 1.00 74.24 H new ATOM 0 HB2 SER A 91 -5.509 -0.493 -11.048 1.00 24.51 H new ATOM 0 HB3 SER A 91 -5.042 -0.459 -12.737 1.00 24.51 H new ATOM 0 HG SER A 91 -7.551 0.007 -11.564 1.00 24.55 H new ATOM 1319 N PRO A 92 -3.423 -2.837 -12.122 1.00 24.52 N ATOM 1320 CA PRO A 92 -2.170 -3.214 -11.476 1.00 31.02 C ATOM 1321 C PRO A 92 -1.874 -2.261 -10.311 1.00 52.43 C ATOM 1322 O PRO A 92 -2.421 -1.152 -10.262 1.00 13.01 O ATOM 1323 CB PRO A 92 -1.118 -3.049 -12.586 1.00 64.41 C ATOM 1324 CG PRO A 92 -1.737 -2.119 -13.568 1.00 71.21 C ATOM 1325 CD PRO A 92 -3.211 -2.384 -13.513 1.00 73.43 C ATOM 0 HA PRO A 92 -2.189 -4.222 -11.062 1.00 31.02 H new ATOM 0 HB2 PRO A 92 -0.187 -2.643 -12.190 1.00 64.41 H new ATOM 0 HB3 PRO A 92 -0.877 -4.007 -13.047 1.00 64.41 H new ATOM 0 HG2 PRO A 92 -1.517 -1.082 -13.316 1.00 71.21 H new ATOM 0 HG3 PRO A 92 -1.346 -2.293 -14.571 1.00 71.21 H new ATOM 0 HD2 PRO A 92 -3.790 -1.488 -13.737 1.00 73.43 H new ATOM 0 HD3 PRO A 92 -3.510 -3.145 -14.234 1.00 73.43 H new ATOM 1333 N GLU A 93 -1.040 -2.706 -9.398 1.00 64.05 N ATOM 1334 CA GLU A 93 -0.673 -1.945 -8.224 1.00 51.04 C ATOM 1335 C GLU A 93 0.001 -0.621 -8.579 1.00 41.35 C ATOM 1336 O GLU A 93 1.105 -0.647 -9.126 1.00 3.25 O ATOM 1337 CB GLU A 93 0.210 -2.784 -7.304 1.00 74.24 C ATOM 1338 CG GLU A 93 -0.515 -3.961 -6.660 1.00 32.23 C ATOM 1339 CD GLU A 93 0.320 -4.651 -5.603 1.00 63.03 C ATOM 1340 OE1 GLU A 93 1.018 -5.612 -5.930 1.00 1.14 O ATOM 1341 OE2 GLU A 93 0.277 -4.199 -4.418 1.00 43.23 O1- ATOM 1342 OXT GLU A 93 -0.572 0.458 -8.287 1.00 40.21 O1- ATOM 0 H GLU A 93 -0.591 -3.620 -9.451 1.00 64.05 H new ATOM 0 HA GLU A 93 -1.592 -1.694 -7.694 1.00 51.04 H new ATOM 0 HB2 GLU A 93 1.059 -3.161 -7.875 1.00 74.24 H new ATOM 0 HB3 GLU A 93 0.612 -2.144 -6.519 1.00 74.24 H new ATOM 0 HG2 GLU A 93 -1.444 -3.609 -6.211 1.00 32.23 H new ATOM 0 HG3 GLU A 93 -0.786 -4.682 -7.431 1.00 32.23 H new TER 1349 GLU A 93