USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=15 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= 0.585 K(o=0.31,f=-2.4!) USER MOD Set 1.2: A 84 ASN : amide:sc= 0.841 K(o=0.31,f=-2.4) USER MOD Set 1.3: A 85 GLN : amide:sc= -1.12 K(o=0.31,f=-6!) USER MOD Set 2.1: A 52 SER OG : rot -117:sc= 0.37 USER MOD Set 2.2: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 75 TYR OH : rot 180:sc= 0.268 USER MOD Set 3.1: A 17 HIS : no HE2:sc= 1.19 K(o=3.5,f=-2.1!) USER MOD Set 3.2: A 64 LYS NZ :NH3+ -160:sc= 1.39 (180deg=-1.1!) USER MOD Set 3.3: A 65 ASN : amide:sc= 0.895 K(o=3.5,f=-10!) USER MOD Set 3.4: A 67 TYR OH : rot -170:sc= 0.0154 USER MOD Single : A 21 TYR OH : rot -15:sc= -0.0743 USER MOD Single : A 22 GLN : amide:sc= 1.28 K(o=1.3,f=-0.12) USER MOD Single : A 23 GLN : amide:sc= -0.285 K(o=-0.29,f=-1) USER MOD Single : A 30 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.35) USER MOD Single : A 33 ASN : amide:sc= 0.00883 X(o=0.0088,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.8!) USER MOD Single : A 38 GLN : amide:sc= 0.201 K(o=0.2,f=-6.6!) USER MOD Single : A 40 HIS : no HE2:sc= -1.38! C(o=-1.4!,f=-7.3!) USER MOD Single : A 43 SER OG : rot 24:sc= 1.11 USER MOD Single : A 44 ASN : amide:sc= -1.37 K(o=-1.4,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.7! C(o=-1.7!,f=-4.1!) USER MOD Single : A 60 HIS : no HE2:sc= 0.317 K(o=0.32,f=-2.8!) USER MOD Single : A 70 THR OG1 : rot -110:sc= 0.464 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -165:sc= -2.28 (180deg=-3.72) USER MOD Single : A 89 SER OG : rot -28:sc= 0.361 USER MOD Single : A 91 SER OG : rot 38:sc= 0.214 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -2.906 4.592 -0.880 1.00 4.00 N ATOM 2 CA ASP A 14 -1.764 4.046 -1.665 1.00 0.02 C ATOM 3 C ASP A 14 -1.979 4.433 -3.127 1.00 72.13 C ATOM 4 O ASP A 14 -3.044 4.173 -3.681 1.00 4.30 O ATOM 5 CB ASP A 14 -1.711 2.512 -1.505 1.00 4.33 C ATOM 6 CG ASP A 14 -0.578 1.829 -2.261 1.00 54.12 C ATOM 7 OD1 ASP A 14 -0.470 0.594 -2.175 1.00 4.24 O ATOM 8 OD2 ASP A 14 0.197 2.501 -2.965 1.00 42.25 O1- ATOM 0 HA ASP A 14 -0.816 4.452 -1.311 1.00 0.02 H new ATOM 0 HB2 ASP A 14 -1.617 2.274 -0.445 1.00 4.33 H new ATOM 0 HB3 ASP A 14 -2.659 2.093 -1.843 1.00 4.33 H new ATOM 13 N ASN A 15 -0.985 5.052 -3.757 1.00 51.31 N ATOM 14 CA ASN A 15 -1.173 5.630 -5.092 1.00 44.32 C ATOM 15 C ASN A 15 0.059 5.463 -5.965 1.00 30.02 C ATOM 16 O ASN A 15 1.074 6.086 -5.700 1.00 55.01 O ATOM 17 CB ASN A 15 -1.474 7.148 -4.991 1.00 15.35 C ATOM 18 CG ASN A 15 -2.760 7.485 -4.268 1.00 0.41 C ATOM 19 OD1 ASN A 15 -2.779 7.648 -3.040 1.00 14.20 O ATOM 20 ND2 ASN A 15 -3.826 7.637 -5.002 1.00 55.11 N ATOM 0 H ASN A 15 -0.047 5.168 -3.372 1.00 51.31 H new ATOM 0 HA ASN A 15 -2.010 5.096 -5.542 1.00 44.32 H new ATOM 0 HB2 ASN A 15 -0.645 7.637 -4.479 1.00 15.35 H new ATOM 0 HB3 ASN A 15 -1.517 7.565 -5.997 1.00 15.35 H new ATOM 0 HD21 ASN A 15 -4.711 7.898 -4.568 1.00 55.11 H new ATOM 0 HD22 ASN A 15 -3.775 7.495 -6.011 1.00 55.11 H new ATOM 27 N ARG A 16 0.002 4.598 -6.982 1.00 51.34 N ATOM 28 CA ARG A 16 1.126 4.519 -7.923 1.00 12.05 C ATOM 29 C ARG A 16 0.650 5.061 -9.284 1.00 74.02 C ATOM 30 O ARG A 16 0.912 6.203 -9.615 1.00 23.15 O ATOM 31 CB ARG A 16 1.705 3.084 -8.072 1.00 72.03 C ATOM 32 CG ARG A 16 1.826 2.262 -6.778 1.00 54.24 C ATOM 33 CD ARG A 16 0.458 1.726 -6.351 1.00 12.44 C ATOM 34 NE ARG A 16 0.495 0.895 -5.172 1.00 45.04 N ATOM 35 CZ ARG A 16 0.398 -0.432 -5.190 1.00 0.11 C ATOM 36 NH1 ARG A 16 0.424 -1.104 -6.358 1.00 72.53 N1+ ATOM 37 NH2 ARG A 16 0.249 -1.085 -4.047 1.00 23.13 N ATOM 0 H ARG A 16 -0.776 3.966 -7.172 1.00 51.34 H new ATOM 0 HA ARG A 16 1.944 5.122 -7.529 1.00 12.05 H new ATOM 0 HB2 ARG A 16 1.076 2.532 -8.771 1.00 72.03 H new ATOM 0 HB3 ARG A 16 2.694 3.159 -8.524 1.00 72.03 H new ATOM 0 HG2 ARG A 16 2.516 1.432 -6.931 1.00 54.24 H new ATOM 0 HG3 ARG A 16 2.244 2.882 -5.985 1.00 54.24 H new ATOM 0 HD2 ARG A 16 -0.210 2.568 -6.169 1.00 12.44 H new ATOM 0 HD3 ARG A 16 0.031 1.153 -7.174 1.00 12.44 H new ATOM 0 HE ARG A 16 0.602 1.354 -4.267 1.00 45.04 H new ATOM 0 HH11 ARG A 16 0.519 -0.595 -7.237 1.00 72.53 H new ATOM 0 HH12 ARG A 16 0.349 -2.121 -6.363 1.00 72.53 H new ATOM 0 HH21 ARG A 16 0.210 -0.571 -3.167 1.00 23.13 H new ATOM 0 HH22 ARG A 16 0.173 -2.102 -4.047 1.00 23.13 H new ATOM 51 N HIS A 17 -0.123 4.259 -10.039 1.00 31.42 N ATOM 52 CA HIS A 17 -0.819 4.774 -11.251 1.00 25.24 C ATOM 53 C HIS A 17 -2.036 5.500 -10.736 1.00 10.24 C ATOM 54 O HIS A 17 -2.475 6.535 -11.252 1.00 3.22 O ATOM 55 CB HIS A 17 -1.245 3.638 -12.177 1.00 61.54 C ATOM 56 CG HIS A 17 -1.872 4.074 -13.481 1.00 20.45 C ATOM 57 ND1 HIS A 17 -3.074 3.591 -13.959 1.00 40.32 N ATOM 58 CD2 HIS A 17 -1.427 4.948 -14.417 1.00 23.31 C ATOM 59 CE1 HIS A 17 -3.317 4.170 -15.131 1.00 22.43 C ATOM 60 NE2 HIS A 17 -2.346 5.007 -15.461 1.00 11.03 N ATOM 0 H HIS A 17 -0.285 3.271 -9.844 1.00 31.42 H new ATOM 0 HA HIS A 17 -0.162 5.420 -11.833 1.00 25.24 H new ATOM 0 HB2 HIS A 17 -0.372 3.024 -12.399 1.00 61.54 H new ATOM 0 HB3 HIS A 17 -1.954 3.003 -11.645 1.00 61.54 H new ATOM 0 HD1 HIS A 17 -3.672 2.908 -13.494 1.00 40.32 H new ATOM 0 HD2 HIS A 17 -0.506 5.509 -14.362 1.00 23.31 H new ATOM 0 HE1 HIS A 17 -4.192 3.982 -15.735 1.00 22.43 H new ATOM 68 N ALA A 18 -2.521 4.938 -9.633 1.00 21.15 N ATOM 69 CA ALA A 18 -3.599 5.449 -8.808 1.00 1.25 C ATOM 70 C ALA A 18 -3.363 6.908 -8.395 1.00 14.41 C ATOM 71 O ALA A 18 -4.231 7.522 -7.821 1.00 52.50 O ATOM 72 CB ALA A 18 -3.829 4.555 -7.604 1.00 62.34 C ATOM 0 H ALA A 18 -2.146 4.060 -9.274 1.00 21.15 H new ATOM 0 HA ALA A 18 -4.508 5.438 -9.410 1.00 1.25 H new ATOM 0 HB1 ALA A 18 -4.642 4.959 -7.001 1.00 62.34 H new ATOM 0 HB2 ALA A 18 -4.091 3.552 -7.940 1.00 62.34 H new ATOM 0 HB3 ALA A 18 -2.920 4.511 -7.004 1.00 62.34 H new ATOM 78 N ALA A 19 -2.126 7.409 -8.571 1.00 73.14 N ATOM 79 CA ALA A 19 -1.773 8.823 -8.339 1.00 44.24 C ATOM 80 C ALA A 19 -2.773 9.791 -9.013 1.00 71.15 C ATOM 81 O ALA A 19 -2.867 10.938 -8.618 1.00 73.42 O ATOM 82 CB ALA A 19 -0.361 9.106 -8.822 1.00 31.44 C ATOM 0 H ALA A 19 -1.338 6.840 -8.880 1.00 73.14 H new ATOM 0 HA ALA A 19 -1.825 8.995 -7.264 1.00 44.24 H new ATOM 0 HB1 ALA A 19 -0.118 10.153 -8.643 1.00 31.44 H new ATOM 0 HB2 ALA A 19 0.342 8.473 -8.281 1.00 31.44 H new ATOM 0 HB3 ALA A 19 -0.292 8.895 -9.889 1.00 31.44 H new ATOM 88 N ASP A 20 -3.504 9.313 -10.035 1.00 61.00 N ATOM 89 CA ASP A 20 -4.616 10.089 -10.640 1.00 73.14 C ATOM 90 C ASP A 20 -5.592 10.481 -9.533 1.00 65.30 C ATOM 91 O ASP A 20 -5.940 11.640 -9.384 1.00 55.11 O ATOM 92 CB ASP A 20 -5.352 9.238 -11.687 1.00 44.24 C ATOM 93 CG ASP A 20 -6.505 9.956 -12.397 1.00 63.33 C ATOM 94 OD1 ASP A 20 -6.267 10.834 -13.239 1.00 70.43 O ATOM 95 OD2 ASP A 20 -7.669 9.592 -12.172 1.00 2.22 O1- ATOM 0 H ASP A 20 -3.351 8.399 -10.462 1.00 61.00 H new ATOM 0 HA ASP A 20 -4.216 10.977 -11.129 1.00 73.14 H new ATOM 0 HB2 ASP A 20 -4.633 8.905 -12.435 1.00 44.24 H new ATOM 0 HB3 ASP A 20 -5.743 8.344 -11.200 1.00 44.24 H new ATOM 100 N TYR A 21 -5.914 9.503 -8.669 1.00 62.22 N ATOM 101 CA TYR A 21 -6.831 9.690 -7.540 1.00 33.32 C ATOM 102 C TYR A 21 -6.321 10.756 -6.596 1.00 43.35 C ATOM 103 O TYR A 21 -7.106 11.387 -5.885 1.00 23.03 O ATOM 104 CB TYR A 21 -7.026 8.386 -6.738 1.00 2.32 C ATOM 105 CG TYR A 21 -8.022 8.526 -5.596 1.00 11.04 C ATOM 106 CD1 TYR A 21 -9.366 8.449 -5.847 1.00 70.44 C ATOM 107 CD2 TYR A 21 -7.614 8.764 -4.272 1.00 42.32 C ATOM 108 CE1 TYR A 21 -10.285 8.596 -4.847 1.00 4.55 C ATOM 109 CE2 TYR A 21 -8.539 8.908 -3.266 1.00 2.04 C ATOM 110 CZ TYR A 21 -9.873 8.823 -3.563 1.00 3.24 C ATOM 111 OH TYR A 21 -10.803 8.974 -2.571 1.00 21.22 O ATOM 0 H TYR A 21 -5.541 8.556 -8.738 1.00 62.22 H new ATOM 0 HA TYR A 21 -7.786 9.996 -7.967 1.00 33.32 H new ATOM 0 HB2 TYR A 21 -7.365 7.600 -7.413 1.00 2.32 H new ATOM 0 HB3 TYR A 21 -6.064 8.068 -6.335 1.00 2.32 H new ATOM 0 HD1 TYR A 21 -9.706 8.268 -6.856 1.00 70.44 H new ATOM 0 HD2 TYR A 21 -6.561 8.835 -4.043 1.00 42.32 H new ATOM 0 HE1 TYR A 21 -11.340 8.533 -5.071 1.00 4.55 H new ATOM 0 HE2 TYR A 21 -8.217 9.087 -2.251 1.00 2.04 H new ATOM 0 HH TYR A 21 -11.684 9.132 -2.970 1.00 21.22 H new ATOM 121 N GLN A 22 -5.014 10.971 -6.584 1.00 5.42 N ATOM 122 CA GLN A 22 -4.452 11.950 -5.703 1.00 34.21 C ATOM 123 C GLN A 22 -5.008 13.309 -6.074 1.00 52.23 C ATOM 124 O GLN A 22 -5.437 14.016 -5.217 1.00 42.00 O ATOM 125 CB GLN A 22 -2.931 11.954 -5.720 1.00 40.12 C ATOM 126 CG GLN A 22 -2.328 12.772 -4.593 1.00 53.43 C ATOM 127 CD GLN A 22 -0.837 12.913 -4.708 1.00 31.25 C ATOM 128 OE1 GLN A 22 -0.083 12.087 -4.202 1.00 43.22 O ATOM 129 NE2 GLN A 22 -0.407 13.964 -5.340 1.00 64.11 N ATOM 0 H GLN A 22 -4.340 10.481 -7.172 1.00 5.42 H new ATOM 0 HA GLN A 22 -4.734 11.696 -4.681 1.00 34.21 H new ATOM 0 HB2 GLN A 22 -2.570 10.928 -5.651 1.00 40.12 H new ATOM 0 HB3 GLN A 22 -2.585 12.350 -6.675 1.00 40.12 H new ATOM 0 HG2 GLN A 22 -2.782 13.763 -4.586 1.00 53.43 H new ATOM 0 HG3 GLN A 22 -2.571 12.303 -3.640 1.00 53.43 H new ATOM 0 HE21 GLN A 22 -1.072 14.623 -5.744 1.00 64.11 H new ATOM 0 HE22 GLN A 22 0.595 14.129 -5.432 1.00 64.11 H new ATOM 138 N GLN A 23 -5.115 13.585 -7.373 1.00 31.15 N ATOM 139 CA GLN A 23 -5.696 14.840 -7.865 1.00 23.51 C ATOM 140 C GLN A 23 -7.178 14.948 -7.538 1.00 32.31 C ATOM 141 O GLN A 23 -7.691 16.043 -7.258 1.00 72.13 O ATOM 142 CB GLN A 23 -5.422 15.030 -9.354 1.00 35.33 C ATOM 143 CG GLN A 23 -4.014 15.512 -9.606 1.00 52.45 C ATOM 144 CD GLN A 23 -3.827 16.936 -9.105 1.00 62.04 C ATOM 145 OE1 GLN A 23 -4.750 17.753 -9.159 1.00 43.10 O ATOM 146 NE2 GLN A 23 -2.697 17.210 -8.538 1.00 13.10 N ATOM 0 H GLN A 23 -4.805 12.953 -8.111 1.00 31.15 H new ATOM 0 HA GLN A 23 -5.202 15.656 -7.338 1.00 23.51 H new ATOM 0 HB2 GLN A 23 -5.583 14.087 -9.877 1.00 35.33 H new ATOM 0 HB3 GLN A 23 -6.131 15.748 -9.766 1.00 35.33 H new ATOM 0 HG2 GLN A 23 -3.305 14.851 -9.107 1.00 52.45 H new ATOM 0 HG3 GLN A 23 -3.796 15.467 -10.673 1.00 52.45 H new ATOM 0 HE21 GLN A 23 -1.956 16.509 -8.512 1.00 13.10 H new ATOM 0 HE22 GLN A 23 -2.547 18.127 -8.117 1.00 13.10 H new ATOM 155 N LEU A 24 -7.866 13.804 -7.527 1.00 12.10 N ATOM 156 CA LEU A 24 -9.264 13.762 -7.098 1.00 73.44 C ATOM 157 C LEU A 24 -9.335 14.206 -5.637 1.00 30.14 C ATOM 158 O LEU A 24 -10.204 14.965 -5.237 1.00 45.22 O ATOM 159 CB LEU A 24 -9.911 12.312 -7.339 1.00 54.12 C ATOM 160 CG LEU A 24 -11.337 12.030 -6.813 1.00 52.23 C ATOM 161 CD1 LEU A 24 -11.892 10.802 -7.499 1.00 13.33 C ATOM 162 CD2 LEU A 24 -11.359 11.794 -5.305 1.00 21.13 C ATOM 0 H LEU A 24 -7.481 12.902 -7.808 1.00 12.10 H new ATOM 0 HA LEU A 24 -9.859 14.448 -7.700 1.00 73.44 H new ATOM 0 HB2 LEU A 24 -9.914 12.128 -8.413 1.00 54.12 H new ATOM 0 HB3 LEU A 24 -9.244 11.576 -6.891 1.00 54.12 H new ATOM 0 HG LEU A 24 -11.944 12.909 -7.030 1.00 52.23 H new ATOM 0 HD11 LEU A 24 -12.898 10.602 -7.129 1.00 13.33 H new ATOM 0 HD12 LEU A 24 -11.928 10.972 -8.575 1.00 13.33 H new ATOM 0 HD13 LEU A 24 -11.251 9.946 -7.288 1.00 13.33 H new ATOM 0 HD21 LEU A 24 -12.382 11.600 -4.982 1.00 21.13 H new ATOM 0 HD22 LEU A 24 -10.733 10.936 -5.062 1.00 21.13 H new ATOM 0 HD23 LEU A 24 -10.978 12.678 -4.793 1.00 21.13 H new ATOM 174 N ARG A 25 -8.347 13.804 -4.891 1.00 62.41 N ATOM 175 CA ARG A 25 -8.309 14.008 -3.483 1.00 24.33 C ATOM 176 C ARG A 25 -7.769 15.375 -3.128 1.00 74.03 C ATOM 177 O ARG A 25 -8.228 16.009 -2.178 1.00 72.45 O ATOM 178 CB ARG A 25 -7.518 12.912 -2.856 1.00 51.52 C ATOM 179 CG ARG A 25 -7.423 13.007 -1.378 1.00 40.53 C ATOM 180 CD ARG A 25 -6.905 11.735 -0.841 1.00 32.22 C ATOM 181 NE ARG A 25 -5.560 11.400 -1.375 1.00 30.43 N ATOM 182 CZ ARG A 25 -4.910 10.223 -1.192 1.00 75.24 C ATOM 183 NH1 ARG A 25 -5.429 9.284 -0.411 1.00 20.23 N1+ ATOM 184 NH2 ARG A 25 -3.734 10.009 -1.786 1.00 74.15 N ATOM 0 H ARG A 25 -7.531 13.315 -5.258 1.00 62.41 H new ATOM 0 HA ARG A 25 -9.325 13.978 -3.089 1.00 24.33 H new ATOM 0 HB2 ARG A 25 -7.969 11.955 -3.120 1.00 51.52 H new ATOM 0 HB3 ARG A 25 -6.512 12.917 -3.276 1.00 51.52 H new ATOM 0 HG2 ARG A 25 -6.765 13.829 -1.096 1.00 40.53 H new ATOM 0 HG3 ARG A 25 -8.403 13.223 -0.952 1.00 40.53 H new ATOM 0 HD2 ARG A 25 -6.856 11.796 0.246 1.00 32.22 H new ATOM 0 HD3 ARG A 25 -7.600 10.931 -1.084 1.00 32.22 H new ATOM 0 HE ARG A 25 -5.085 12.115 -1.926 1.00 30.43 H new ATOM 0 HH11 ARG A 25 -6.322 9.445 0.056 1.00 20.23 H new ATOM 0 HH12 ARG A 25 -4.935 8.401 -0.278 1.00 20.23 H new ATOM 0 HH21 ARG A 25 -3.323 10.731 -2.378 1.00 74.15 H new ATOM 0 HH22 ARG A 25 -3.246 9.124 -1.648 1.00 74.15 H new ATOM 198 N GLU A 26 -6.794 15.806 -3.885 1.00 35.30 N ATOM 199 CA GLU A 26 -6.217 17.111 -3.765 1.00 72.34 C ATOM 200 C GLU A 26 -7.294 18.149 -3.952 1.00 34.12 C ATOM 201 O GLU A 26 -7.348 19.129 -3.227 1.00 44.24 O ATOM 202 CB GLU A 26 -5.075 17.273 -4.763 1.00 42.43 C ATOM 203 CG GLU A 26 -3.805 16.520 -4.362 1.00 72.32 C ATOM 204 CD GLU A 26 -2.699 16.586 -5.401 1.00 25.23 C ATOM 205 OE1 GLU A 26 -2.051 17.635 -5.520 1.00 21.43 O ATOM 206 OE2 GLU A 26 -2.450 15.556 -6.084 1.00 4.11 O1- ATOM 0 H GLU A 26 -6.371 15.240 -4.621 1.00 35.30 H new ATOM 0 HA GLU A 26 -5.792 17.245 -2.770 1.00 72.34 H new ATOM 0 HB2 GLU A 26 -5.404 16.920 -5.740 1.00 42.43 H new ATOM 0 HB3 GLU A 26 -4.842 18.333 -4.868 1.00 42.43 H new ATOM 0 HG2 GLU A 26 -3.433 16.929 -3.422 1.00 72.32 H new ATOM 0 HG3 GLU A 26 -4.056 15.475 -4.178 1.00 72.32 H new ATOM 213 N ARG A 27 -8.190 17.902 -4.896 1.00 71.35 N ATOM 214 CA ARG A 27 -9.338 18.745 -5.047 1.00 22.11 C ATOM 215 C ARG A 27 -10.329 18.512 -3.896 1.00 60.34 C ATOM 216 O ARG A 27 -10.843 19.473 -3.328 1.00 64.02 O ATOM 217 CB ARG A 27 -10.027 18.551 -6.408 1.00 33.01 C ATOM 218 CG ARG A 27 -11.344 19.301 -6.491 1.00 11.01 C ATOM 219 CD ARG A 27 -12.014 19.220 -7.844 1.00 3.10 C ATOM 220 NE ARG A 27 -13.382 19.709 -7.726 1.00 64.15 N ATOM 221 CZ ARG A 27 -14.080 20.417 -8.590 1.00 43.34 C ATOM 222 NH1 ARG A 27 -13.572 20.751 -9.787 1.00 21.41 N1+ ATOM 223 NH2 ARG A 27 -15.308 20.790 -8.242 1.00 12.41 N ATOM 0 H ARG A 27 -8.134 17.128 -5.558 1.00 71.35 H new ATOM 0 HA ARG A 27 -8.991 19.778 -5.011 1.00 22.11 H new ATOM 0 HB2 ARG A 27 -9.364 18.894 -7.202 1.00 33.01 H new ATOM 0 HB3 ARG A 27 -10.204 17.489 -6.577 1.00 33.01 H new ATOM 0 HG2 ARG A 27 -12.024 18.905 -5.736 1.00 11.01 H new ATOM 0 HG3 ARG A 27 -11.170 20.349 -6.245 1.00 11.01 H new ATOM 0 HD2 ARG A 27 -11.463 19.814 -8.573 1.00 3.10 H new ATOM 0 HD3 ARG A 27 -12.012 18.191 -8.204 1.00 3.10 H new ATOM 0 HE ARG A 27 -13.863 19.471 -6.859 1.00 64.15 H new ATOM 0 HH11 ARG A 27 -12.629 20.456 -10.041 1.00 21.41 H new ATOM 0 HH12 ARG A 27 -14.129 21.300 -10.442 1.00 21.41 H new ATOM 0 HH21 ARG A 27 -15.682 20.527 -7.330 1.00 12.41 H new ATOM 0 HH22 ARG A 27 -15.876 21.339 -8.887 1.00 12.41 H new ATOM 237 N LEU A 28 -10.546 17.230 -3.539 1.00 2.44 N ATOM 238 CA LEU A 28 -11.494 16.809 -2.501 1.00 24.51 C ATOM 239 C LEU A 28 -11.294 17.575 -1.176 1.00 45.11 C ATOM 240 O LEU A 28 -12.269 17.904 -0.494 1.00 21.42 O ATOM 241 CB LEU A 28 -11.435 15.253 -2.308 1.00 54.34 C ATOM 242 CG LEU A 28 -12.785 14.592 -2.006 1.00 35.04 C ATOM 243 CD1 LEU A 28 -12.706 13.096 -2.181 1.00 2.45 C ATOM 244 CD2 LEU A 28 -13.296 14.928 -0.617 1.00 31.14 C ATOM 0 H LEU A 28 -10.056 16.449 -3.975 1.00 2.44 H new ATOM 0 HA LEU A 28 -12.498 17.066 -2.839 1.00 24.51 H new ATOM 0 HB2 LEU A 28 -11.020 14.804 -3.211 1.00 54.34 H new ATOM 0 HB3 LEU A 28 -10.746 15.028 -1.494 1.00 54.34 H new ATOM 0 HG LEU A 28 -13.497 14.997 -2.725 1.00 35.04 H new ATOM 0 HD11 LEU A 28 -13.677 12.652 -1.961 1.00 2.45 H new ATOM 0 HD12 LEU A 28 -12.426 12.864 -3.209 1.00 2.45 H new ATOM 0 HD13 LEU A 28 -11.958 12.689 -1.500 1.00 2.45 H new ATOM 0 HD21 LEU A 28 -14.254 14.436 -0.453 1.00 31.14 H new ATOM 0 HD22 LEU A 28 -12.579 14.583 0.128 1.00 31.14 H new ATOM 0 HD23 LEU A 28 -13.422 16.007 -0.527 1.00 31.14 H new ATOM 256 N ILE A 29 -10.048 17.885 -0.849 1.00 32.40 N ATOM 257 CA ILE A 29 -9.730 18.658 0.353 1.00 70.02 C ATOM 258 C ILE A 29 -10.431 20.026 0.337 1.00 65.35 C ATOM 259 O ILE A 29 -11.139 20.370 1.264 1.00 22.33 O ATOM 260 CB ILE A 29 -8.194 18.834 0.536 1.00 15.42 C ATOM 261 CG1 ILE A 29 -7.549 17.457 0.688 1.00 31.41 C ATOM 262 CG2 ILE A 29 -7.882 19.713 1.753 1.00 15.13 C ATOM 263 CD1 ILE A 29 -6.050 17.464 0.870 1.00 22.24 C ATOM 0 H ILE A 29 -9.233 17.613 -1.400 1.00 32.40 H new ATOM 0 HA ILE A 29 -10.104 18.091 1.205 1.00 70.02 H new ATOM 0 HB ILE A 29 -7.785 19.333 -0.342 1.00 15.42 H new ATOM 0 HG12 ILE A 29 -8.000 16.955 1.544 1.00 31.41 H new ATOM 0 HG13 ILE A 29 -7.789 16.862 -0.193 1.00 31.41 H new ATOM 0 HG21 ILE A 29 -6.802 19.820 1.858 1.00 15.13 H new ATOM 0 HG22 ILE A 29 -8.332 20.696 1.617 1.00 15.13 H new ATOM 0 HG23 ILE A 29 -8.290 19.249 2.651 1.00 15.13 H new ATOM 0 HD11 ILE A 29 -5.691 16.440 0.968 1.00 22.24 H new ATOM 0 HD12 ILE A 29 -5.581 17.932 0.005 1.00 22.24 H new ATOM 0 HD13 ILE A 29 -5.795 18.026 1.769 1.00 22.24 H new ATOM 275 N GLN A 30 -10.284 20.765 -0.742 1.00 54.32 N ATOM 276 CA GLN A 30 -10.910 22.082 -0.832 1.00 33.31 C ATOM 277 C GLN A 30 -12.374 21.992 -1.221 1.00 54.03 C ATOM 278 O GLN A 30 -13.122 22.929 -1.008 1.00 62.30 O ATOM 279 CB GLN A 30 -10.168 23.056 -1.760 1.00 44.24 C ATOM 280 CG GLN A 30 -8.801 23.505 -1.240 1.00 34.32 C ATOM 281 CD GLN A 30 -7.722 22.443 -1.342 1.00 52.45 C ATOM 282 OE1 GLN A 30 -6.822 22.379 -0.529 1.00 22.44 O ATOM 283 NE2 GLN A 30 -7.783 21.646 -2.375 1.00 14.31 N ATOM 0 H GLN A 30 -9.746 20.488 -1.563 1.00 54.32 H new ATOM 0 HA GLN A 30 -10.843 22.494 0.175 1.00 33.31 H new ATOM 0 HB2 GLN A 30 -10.036 22.583 -2.733 1.00 44.24 H new ATOM 0 HB3 GLN A 30 -10.791 23.937 -1.916 1.00 44.24 H new ATOM 0 HG2 GLN A 30 -8.483 24.386 -1.798 1.00 34.32 H new ATOM 0 HG3 GLN A 30 -8.902 23.807 -0.198 1.00 34.32 H new ATOM 0 HE21 GLN A 30 -8.554 21.728 -3.038 1.00 14.31 H new ATOM 0 HE22 GLN A 30 -7.060 20.941 -2.519 1.00 14.31 H new ATOM 292 N GLU A 31 -12.761 20.854 -1.792 1.00 71.24 N ATOM 293 CA GLU A 31 -14.129 20.605 -2.247 1.00 62.35 C ATOM 294 C GLU A 31 -15.133 20.821 -1.095 1.00 2.43 C ATOM 295 O GLU A 31 -16.086 21.583 -1.234 1.00 64.21 O ATOM 296 CB GLU A 31 -14.224 19.183 -2.797 1.00 1.41 C ATOM 297 CG GLU A 31 -15.518 18.841 -3.510 1.00 1.50 C ATOM 298 CD GLU A 31 -15.727 19.644 -4.781 1.00 72.35 C ATOM 299 OE1 GLU A 31 -15.062 19.362 -5.781 1.00 71.15 O ATOM 300 OE2 GLU A 31 -16.596 20.532 -4.804 1.00 41.45 O1- ATOM 0 H GLU A 31 -12.129 20.070 -1.954 1.00 71.24 H new ATOM 0 HA GLU A 31 -14.381 21.310 -3.039 1.00 62.35 H new ATOM 0 HB2 GLU A 31 -13.396 19.024 -3.488 1.00 1.41 H new ATOM 0 HB3 GLU A 31 -14.089 18.484 -1.972 1.00 1.41 H new ATOM 0 HG2 GLU A 31 -15.522 17.779 -3.754 1.00 1.50 H new ATOM 0 HG3 GLU A 31 -16.355 19.016 -2.835 1.00 1.50 H new ATOM 307 N LEU A 32 -14.917 20.158 0.046 1.00 34.41 N ATOM 308 CA LEU A 32 -15.774 20.428 1.211 1.00 34.41 C ATOM 309 C LEU A 32 -15.112 21.413 2.164 1.00 73.54 C ATOM 310 O LEU A 32 -15.699 21.781 3.177 1.00 54.45 O ATOM 311 CB LEU A 32 -16.074 19.162 1.993 1.00 63.51 C ATOM 312 CG LEU A 32 -16.849 18.066 1.307 1.00 24.11 C ATOM 313 CD1 LEU A 32 -16.994 16.904 2.270 1.00 71.23 C ATOM 314 CD2 LEU A 32 -18.220 18.567 0.858 1.00 70.33 C ATOM 0 H LEU A 32 -14.189 19.458 0.189 1.00 34.41 H new ATOM 0 HA LEU A 32 -16.700 20.846 0.816 1.00 34.41 H new ATOM 0 HB2 LEU A 32 -15.124 18.741 2.322 1.00 63.51 H new ATOM 0 HB3 LEU A 32 -16.624 19.447 2.890 1.00 63.51 H new ATOM 0 HG LEU A 32 -16.312 17.743 0.415 1.00 24.11 H new ATOM 0 HD11 LEU A 32 -17.553 16.101 1.790 1.00 71.23 H new ATOM 0 HD12 LEU A 32 -16.006 16.540 2.552 1.00 71.23 H new ATOM 0 HD13 LEU A 32 -17.527 17.234 3.161 1.00 71.23 H new ATOM 0 HD21 LEU A 32 -18.760 17.758 0.366 1.00 70.33 H new ATOM 0 HD22 LEU A 32 -18.786 18.905 1.726 1.00 70.33 H new ATOM 0 HD23 LEU A 32 -18.094 19.396 0.161 1.00 70.33 H new ATOM 326 N ASN A 33 -13.906 21.844 1.809 1.00 33.01 N ATOM 327 CA ASN A 33 -13.049 22.675 2.674 1.00 73.03 C ATOM 328 C ASN A 33 -12.735 21.893 3.953 1.00 20.33 C ATOM 329 O ASN A 33 -13.260 22.161 5.042 1.00 23.04 O ATOM 330 CB ASN A 33 -13.663 24.069 2.982 1.00 4.33 C ATOM 331 CG ASN A 33 -12.727 24.998 3.762 1.00 0.51 C ATOM 332 OD1 ASN A 33 -11.962 25.758 3.183 1.00 73.42 O ATOM 333 ND2 ASN A 33 -12.777 24.937 5.071 1.00 3.43 N ATOM 0 H ASN A 33 -13.484 21.629 0.906 1.00 33.01 H new ATOM 0 HA ASN A 33 -12.124 22.888 2.138 1.00 73.03 H new ATOM 0 HB2 ASN A 33 -13.938 24.550 2.043 1.00 4.33 H new ATOM 0 HB3 ASN A 33 -14.582 23.933 3.552 1.00 4.33 H new ATOM 0 HD21 ASN A 33 -12.169 25.532 5.633 1.00 3.43 H new ATOM 0 HD22 ASN A 33 -13.424 24.294 5.527 1.00 3.43 H new ATOM 340 N LEU A 34 -11.945 20.874 3.777 1.00 5.01 N ATOM 341 CA LEU A 34 -11.596 19.967 4.830 1.00 3.34 C ATOM 342 C LEU A 34 -10.196 20.255 5.303 1.00 52.40 C ATOM 343 O LEU A 34 -9.360 20.746 4.549 1.00 4.54 O ATOM 344 CB LEU A 34 -11.700 18.513 4.315 1.00 53.15 C ATOM 345 CG LEU A 34 -13.071 18.127 3.748 1.00 71.31 C ATOM 346 CD1 LEU A 34 -13.046 16.770 3.050 1.00 10.21 C ATOM 347 CD2 LEU A 34 -14.137 18.146 4.831 1.00 45.14 C ATOM 0 H LEU A 34 -11.517 20.646 2.879 1.00 5.01 H new ATOM 0 HA LEU A 34 -12.283 20.096 5.666 1.00 3.34 H new ATOM 0 HB2 LEU A 34 -10.947 18.362 3.541 1.00 53.15 H new ATOM 0 HB3 LEU A 34 -11.457 17.835 5.133 1.00 53.15 H new ATOM 0 HG LEU A 34 -13.322 18.877 2.998 1.00 71.31 H new ATOM 0 HD11 LEU A 34 -14.040 16.540 2.665 1.00 10.21 H new ATOM 0 HD12 LEU A 34 -12.335 16.799 2.224 1.00 10.21 H new ATOM 0 HD13 LEU A 34 -12.746 16.001 3.761 1.00 10.21 H new ATOM 0 HD21 LEU A 34 -15.099 17.868 4.400 1.00 45.14 H new ATOM 0 HD22 LEU A 34 -13.872 17.436 5.615 1.00 45.14 H new ATOM 0 HD23 LEU A 34 -14.206 19.147 5.256 1.00 45.14 H new ATOM 359 N THR A 35 -9.951 19.974 6.537 1.00 73.50 N ATOM 360 CA THR A 35 -8.651 20.148 7.111 1.00 43.22 C ATOM 361 C THR A 35 -7.835 18.878 6.770 1.00 32.11 C ATOM 362 O THR A 35 -8.422 17.832 6.631 1.00 55.22 O ATOM 363 CB THR A 35 -8.834 20.286 8.641 1.00 22.43 C ATOM 364 OG1 THR A 35 -9.845 21.267 8.887 1.00 64.15 O ATOM 365 CG2 THR A 35 -7.555 20.727 9.335 1.00 45.51 C ATOM 0 H THR A 35 -10.650 19.613 7.186 1.00 73.50 H new ATOM 0 HA THR A 35 -8.135 21.030 6.731 1.00 43.22 H new ATOM 0 HB THR A 35 -9.112 19.310 9.038 1.00 22.43 H new ATOM 0 HG1 THR A 35 -9.976 21.367 9.853 1.00 64.15 H new ATOM 0 HG21 THR A 35 -7.733 20.810 10.407 1.00 45.51 H new ATOM 0 HG22 THR A 35 -6.770 19.992 9.153 1.00 45.51 H new ATOM 0 HG23 THR A 35 -7.244 21.695 8.943 1.00 45.51 H new ATOM 373 N PRO A 36 -6.497 18.946 6.571 1.00 51.01 N ATOM 374 CA PRO A 36 -5.678 17.733 6.309 1.00 40.25 C ATOM 375 C PRO A 36 -5.845 16.663 7.405 1.00 73.35 C ATOM 376 O PRO A 36 -5.771 15.483 7.139 1.00 71.31 O ATOM 377 CB PRO A 36 -4.247 18.269 6.284 1.00 13.22 C ATOM 378 CG PRO A 36 -4.391 19.697 5.881 1.00 72.41 C ATOM 379 CD PRO A 36 -5.682 20.177 6.489 1.00 24.41 C ATOM 0 HA PRO A 36 -5.972 17.233 5.386 1.00 40.25 H new ATOM 0 HB2 PRO A 36 -3.772 18.178 7.261 1.00 13.22 H new ATOM 0 HB3 PRO A 36 -3.629 17.717 5.576 1.00 13.22 H new ATOM 0 HG2 PRO A 36 -3.549 20.289 6.238 1.00 72.41 H new ATOM 0 HG3 PRO A 36 -4.412 19.795 4.796 1.00 72.41 H new ATOM 0 HD2 PRO A 36 -5.523 20.621 7.472 1.00 24.41 H new ATOM 0 HD3 PRO A 36 -6.161 20.936 5.870 1.00 24.41 H new ATOM 387 N GLN A 37 -6.129 17.100 8.626 1.00 0.31 N ATOM 388 CA GLN A 37 -6.362 16.173 9.740 1.00 71.23 C ATOM 389 C GLN A 37 -7.800 15.625 9.693 1.00 30.34 C ATOM 390 O GLN A 37 -8.211 14.862 10.549 1.00 52.54 O ATOM 391 CB GLN A 37 -6.108 16.833 11.120 1.00 30.31 C ATOM 392 CG GLN A 37 -4.725 17.468 11.312 1.00 42.21 C ATOM 393 CD GLN A 37 -4.622 18.871 10.733 1.00 34.04 C ATOM 394 OE1 GLN A 37 -4.291 19.065 9.576 1.00 0.22 O ATOM 395 NE2 GLN A 37 -4.905 19.858 11.544 1.00 70.43 N ATOM 0 H GLN A 37 -6.205 18.086 8.875 1.00 0.31 H new ATOM 0 HA GLN A 37 -5.650 15.356 9.623 1.00 71.23 H new ATOM 0 HB2 GLN A 37 -6.865 17.601 11.279 1.00 30.31 H new ATOM 0 HB3 GLN A 37 -6.251 16.079 11.894 1.00 30.31 H new ATOM 0 HG2 GLN A 37 -4.494 17.504 12.377 1.00 42.21 H new ATOM 0 HG3 GLN A 37 -3.973 16.833 10.844 1.00 42.21 H new ATOM 0 HE21 GLN A 37 -5.179 19.664 12.507 1.00 70.43 H new ATOM 0 HE22 GLN A 37 -4.852 20.821 11.213 1.00 70.43 H new ATOM 404 N GLN A 38 -8.548 16.065 8.705 1.00 24.24 N ATOM 405 CA GLN A 38 -9.897 15.652 8.478 1.00 32.24 C ATOM 406 C GLN A 38 -9.948 14.930 7.131 1.00 41.15 C ATOM 407 O GLN A 38 -10.981 14.385 6.734 1.00 51.22 O ATOM 408 CB GLN A 38 -10.768 16.916 8.429 1.00 71.03 C ATOM 409 CG GLN A 38 -12.236 16.691 8.242 1.00 22.21 C ATOM 410 CD GLN A 38 -12.988 17.998 8.210 1.00 22.34 C ATOM 411 OE1 GLN A 38 -12.442 19.027 7.803 1.00 34.42 O ATOM 412 NE2 GLN A 38 -14.229 17.980 8.619 1.00 0.32 N ATOM 0 H GLN A 38 -8.213 16.743 8.020 1.00 24.24 H new ATOM 0 HA GLN A 38 -10.255 14.986 9.263 1.00 32.24 H new ATOM 0 HB2 GLN A 38 -10.620 17.472 9.355 1.00 71.03 H new ATOM 0 HB3 GLN A 38 -10.411 17.549 7.617 1.00 71.03 H new ATOM 0 HG2 GLN A 38 -12.408 16.147 7.313 1.00 22.21 H new ATOM 0 HG3 GLN A 38 -12.617 16.069 9.052 1.00 22.21 H new ATOM 0 HE21 GLN A 38 -14.645 17.109 8.948 1.00 0.32 H new ATOM 0 HE22 GLN A 38 -14.782 18.837 8.609 1.00 0.32 H new ATOM 421 N LEU A 39 -8.820 14.921 6.431 1.00 71.55 N ATOM 422 CA LEU A 39 -8.794 14.357 5.127 1.00 31.44 C ATOM 423 C LEU A 39 -7.483 13.627 4.870 1.00 41.44 C ATOM 424 O LEU A 39 -6.537 14.160 4.284 1.00 64.33 O ATOM 425 CB LEU A 39 -9.119 15.426 4.042 1.00 24.24 C ATOM 426 CG LEU A 39 -9.617 14.934 2.662 1.00 45.11 C ATOM 427 CD1 LEU A 39 -8.516 14.295 1.846 1.00 30.44 C ATOM 428 CD2 LEU A 39 -10.770 13.956 2.834 1.00 22.22 C ATOM 0 H LEU A 39 -7.930 15.298 6.758 1.00 71.55 H new ATOM 0 HA LEU A 39 -9.582 13.607 5.062 1.00 31.44 H new ATOM 0 HB2 LEU A 39 -9.875 16.096 4.450 1.00 24.24 H new ATOM 0 HB3 LEU A 39 -8.220 16.021 3.880 1.00 24.24 H new ATOM 0 HG LEU A 39 -9.960 15.812 2.115 1.00 45.11 H new ATOM 0 HD11 LEU A 39 -8.917 13.967 0.887 1.00 30.44 H new ATOM 0 HD12 LEU A 39 -7.720 15.021 1.677 1.00 30.44 H new ATOM 0 HD13 LEU A 39 -8.116 13.436 2.385 1.00 30.44 H new ATOM 0 HD21 LEU A 39 -11.110 13.618 1.855 1.00 22.22 H new ATOM 0 HD22 LEU A 39 -10.436 13.098 3.418 1.00 22.22 H new ATOM 0 HD23 LEU A 39 -11.592 14.450 3.353 1.00 22.22 H new ATOM 440 N HIS A 40 -7.425 12.469 5.408 1.00 21.32 N ATOM 441 CA HIS A 40 -6.407 11.499 5.140 1.00 32.22 C ATOM 442 C HIS A 40 -7.176 10.289 4.611 1.00 41.43 C ATOM 443 O HIS A 40 -8.397 10.270 4.725 1.00 71.55 O ATOM 444 CB HIS A 40 -5.554 11.191 6.399 1.00 53.13 C ATOM 445 CG HIS A 40 -4.531 10.101 6.195 1.00 42.22 C ATOM 446 ND1 HIS A 40 -4.575 8.912 6.851 1.00 51.01 N ATOM 447 CD2 HIS A 40 -3.484 10.012 5.337 1.00 41.15 C ATOM 448 CE1 HIS A 40 -3.619 8.131 6.401 1.00 24.43 C ATOM 449 NE2 HIS A 40 -2.906 8.748 5.468 1.00 35.22 N ATOM 0 H HIS A 40 -8.117 12.145 6.084 1.00 21.32 H new ATOM 0 HA HIS A 40 -5.670 11.846 4.416 1.00 32.22 H new ATOM 0 HB2 HIS A 40 -5.042 12.102 6.710 1.00 53.13 H new ATOM 0 HB3 HIS A 40 -6.218 10.904 7.214 1.00 53.13 H new ATOM 0 HD1 HIS A 40 -5.245 8.664 7.579 1.00 51.01 H new ATOM 0 HD2 HIS A 40 -3.153 10.790 4.665 1.00 41.15 H new ATOM 0 HE1 HIS A 40 -3.438 7.123 6.744 1.00 24.43 H new ATOM 457 N GLU A 41 -6.531 9.317 3.999 1.00 30.14 N ATOM 458 CA GLU A 41 -7.281 8.262 3.342 1.00 63.04 C ATOM 459 C GLU A 41 -8.230 7.399 4.210 1.00 22.14 C ATOM 460 O GLU A 41 -9.163 6.801 3.672 1.00 21.13 O ATOM 461 CB GLU A 41 -6.498 7.491 2.251 1.00 33.35 C ATOM 462 CG GLU A 41 -5.101 7.010 2.615 1.00 25.53 C ATOM 463 CD GLU A 41 -4.392 6.382 1.411 1.00 73.20 C ATOM 464 OE1 GLU A 41 -4.086 5.183 1.437 1.00 24.53 O ATOM 465 OE2 GLU A 41 -4.167 7.098 0.389 1.00 44.14 O1- ATOM 0 H GLU A 41 -5.516 9.233 3.942 1.00 30.14 H new ATOM 0 HA GLU A 41 -8.014 8.850 2.790 1.00 63.04 H new ATOM 0 HB2 GLU A 41 -7.090 6.624 1.958 1.00 33.35 H new ATOM 0 HB3 GLU A 41 -6.418 8.133 1.374 1.00 33.35 H new ATOM 0 HG2 GLU A 41 -4.512 7.848 2.989 1.00 25.53 H new ATOM 0 HG3 GLU A 41 -5.165 6.280 3.422 1.00 25.53 H new ATOM 472 N GLU A 42 -8.081 7.418 5.525 1.00 1.24 N ATOM 473 CA GLU A 42 -8.944 6.599 6.384 1.00 20.14 C ATOM 474 C GLU A 42 -10.162 7.427 6.848 1.00 10.41 C ATOM 475 O GLU A 42 -11.127 6.890 7.413 1.00 64.31 O ATOM 476 CB GLU A 42 -8.161 6.056 7.613 1.00 73.11 C ATOM 477 CG GLU A 42 -8.006 7.032 8.790 1.00 35.12 C ATOM 478 CD GLU A 42 -7.145 8.213 8.474 1.00 35.30 C ATOM 479 OE1 GLU A 42 -6.003 8.228 8.912 1.00 3.40 O ATOM 480 OE2 GLU A 42 -7.585 9.109 7.719 1.00 74.15 O1- ATOM 0 H GLU A 42 -7.387 7.978 6.020 1.00 1.24 H new ATOM 0 HA GLU A 42 -9.291 5.744 5.804 1.00 20.14 H new ATOM 0 HB2 GLU A 42 -8.664 5.159 7.973 1.00 73.11 H new ATOM 0 HB3 GLU A 42 -7.167 5.754 7.283 1.00 73.11 H new ATOM 0 HG2 GLU A 42 -8.992 7.382 9.094 1.00 35.12 H new ATOM 0 HG3 GLU A 42 -7.581 6.499 9.640 1.00 35.12 H new ATOM 487 N SER A 43 -10.096 8.723 6.605 1.00 73.35 N ATOM 488 CA SER A 43 -11.117 9.649 7.003 1.00 34.52 C ATOM 489 C SER A 43 -12.432 9.347 6.266 1.00 64.03 C ATOM 490 O SER A 43 -12.439 9.052 5.046 1.00 61.51 O ATOM 491 CB SER A 43 -10.635 11.071 6.728 1.00 53.45 C ATOM 492 OG SER A 43 -9.346 11.303 7.326 1.00 64.54 O ATOM 0 H SER A 43 -9.314 9.160 6.117 1.00 73.35 H new ATOM 0 HA SER A 43 -11.313 9.547 8.070 1.00 34.52 H new ATOM 0 HB2 SER A 43 -10.576 11.237 5.652 1.00 53.45 H new ATOM 0 HB3 SER A 43 -11.357 11.786 7.122 1.00 53.45 H new ATOM 0 HG SER A 43 -8.879 10.449 7.439 1.00 64.54 H new ATOM 498 N ASN A 44 -13.532 9.387 6.999 1.00 33.44 N ATOM 499 CA ASN A 44 -14.825 9.046 6.441 1.00 43.13 C ATOM 500 C ASN A 44 -15.411 10.223 5.692 1.00 2.45 C ATOM 501 O ASN A 44 -15.549 11.311 6.228 1.00 24.45 O ATOM 502 CB ASN A 44 -15.819 8.535 7.511 1.00 63.12 C ATOM 503 CG ASN A 44 -15.500 7.161 8.108 1.00 74.24 C ATOM 504 OD1 ASN A 44 -16.403 6.432 8.477 1.00 32.45 O ATOM 505 ND2 ASN A 44 -14.242 6.802 8.215 1.00 4.20 N ATOM 0 H ASN A 44 -13.553 9.653 7.983 1.00 33.44 H new ATOM 0 HA ASN A 44 -14.660 8.226 5.742 1.00 43.13 H new ATOM 0 HB2 ASN A 44 -15.859 9.263 8.321 1.00 63.12 H new ATOM 0 HB3 ASN A 44 -16.814 8.497 7.068 1.00 63.12 H new ATOM 0 HD21 ASN A 44 -14.003 5.894 8.615 1.00 4.20 H new ATOM 0 HD22 ASN A 44 -13.504 7.431 7.899 1.00 4.20 H new ATOM 512 N LEU A 45 -15.782 9.995 4.463 1.00 43.22 N ATOM 513 CA LEU A 45 -16.285 11.060 3.612 1.00 2.41 C ATOM 514 C LEU A 45 -17.726 11.455 3.902 1.00 35.24 C ATOM 515 O LEU A 45 -18.065 12.626 3.835 1.00 72.21 O ATOM 516 CB LEU A 45 -16.043 10.756 2.145 1.00 64.11 C ATOM 517 CG LEU A 45 -14.581 10.884 1.696 1.00 25.41 C ATOM 518 CD1 LEU A 45 -14.420 10.400 0.283 1.00 53.13 C ATOM 519 CD2 LEU A 45 -14.109 12.338 1.816 1.00 53.41 C ATOM 0 H LEU A 45 -15.749 9.078 4.017 1.00 43.22 H new ATOM 0 HA LEU A 45 -15.704 11.947 3.863 1.00 2.41 H new ATOM 0 HB2 LEU A 45 -16.385 9.742 1.937 1.00 64.11 H new ATOM 0 HB3 LEU A 45 -16.654 11.429 1.543 1.00 64.11 H new ATOM 0 HG LEU A 45 -13.966 10.263 2.348 1.00 25.41 H new ATOM 0 HD11 LEU A 45 -13.377 10.498 -0.019 1.00 53.13 H new ATOM 0 HD12 LEU A 45 -14.719 9.354 0.221 1.00 53.13 H new ATOM 0 HD13 LEU A 45 -15.047 10.997 -0.380 1.00 53.13 H new ATOM 0 HD21 LEU A 45 -13.070 12.411 1.494 1.00 53.41 H new ATOM 0 HD22 LEU A 45 -14.730 12.975 1.186 1.00 53.41 H new ATOM 0 HD23 LEU A 45 -14.191 12.663 2.853 1.00 53.41 H new ATOM 531 N ILE A 46 -18.569 10.501 4.261 1.00 21.34 N ATOM 532 CA ILE A 46 -19.950 10.850 4.639 1.00 53.50 C ATOM 533 C ILE A 46 -19.913 11.558 6.006 1.00 21.03 C ATOM 534 O ILE A 46 -20.727 12.409 6.309 1.00 25.34 O ATOM 535 CB ILE A 46 -20.894 9.597 4.682 1.00 73.21 C ATOM 536 CG1 ILE A 46 -20.970 8.904 3.303 1.00 33.44 C ATOM 537 CG2 ILE A 46 -22.300 9.952 5.174 1.00 62.23 C ATOM 538 CD1 ILE A 46 -21.507 9.758 2.174 1.00 72.13 C ATOM 0 H ILE A 46 -18.343 9.507 4.302 1.00 21.34 H new ATOM 0 HA ILE A 46 -20.365 11.513 3.880 1.00 53.50 H new ATOM 0 HB ILE A 46 -20.456 8.901 5.398 1.00 73.21 H new ATOM 0 HG12 ILE A 46 -19.971 8.561 3.033 1.00 33.44 H new ATOM 0 HG13 ILE A 46 -21.598 8.018 3.395 1.00 33.44 H new ATOM 0 HG21 ILE A 46 -22.918 9.054 5.187 1.00 62.23 H new ATOM 0 HG22 ILE A 46 -22.240 10.366 6.181 1.00 62.23 H new ATOM 0 HG23 ILE A 46 -22.744 10.689 4.505 1.00 62.23 H new ATOM 0 HD11 ILE A 46 -21.518 9.177 1.252 1.00 72.13 H new ATOM 0 HD12 ILE A 46 -22.521 10.081 2.412 1.00 72.13 H new ATOM 0 HD13 ILE A 46 -20.869 10.632 2.044 1.00 72.13 H new ATOM 550 N GLN A 47 -18.881 11.232 6.768 1.00 31.04 N ATOM 551 CA GLN A 47 -18.619 11.809 8.082 1.00 54.42 C ATOM 552 C GLN A 47 -18.208 13.277 7.919 1.00 51.12 C ATOM 553 O GLN A 47 -18.489 14.112 8.765 1.00 3.13 O ATOM 554 CB GLN A 47 -17.472 11.030 8.706 1.00 22.31 C ATOM 555 CG GLN A 47 -17.105 11.386 10.118 1.00 40.30 C ATOM 556 CD GLN A 47 -15.816 10.724 10.581 1.00 71.43 C ATOM 557 OE1 GLN A 47 -14.906 10.467 9.796 1.00 4.22 O ATOM 558 NE2 GLN A 47 -15.732 10.439 11.854 1.00 43.01 N ATOM 0 H GLN A 47 -18.184 10.543 6.485 1.00 31.04 H new ATOM 0 HA GLN A 47 -19.508 11.757 8.711 1.00 54.42 H new ATOM 0 HB2 GLN A 47 -17.725 9.970 8.677 1.00 22.31 H new ATOM 0 HB3 GLN A 47 -16.589 11.164 8.081 1.00 22.31 H new ATOM 0 HG2 GLN A 47 -17.001 12.468 10.199 1.00 40.30 H new ATOM 0 HG3 GLN A 47 -17.917 11.093 10.784 1.00 40.30 H new ATOM 0 HE21 GLN A 47 -16.505 10.665 12.479 1.00 43.01 H new ATOM 0 HE22 GLN A 47 -14.893 9.990 12.222 1.00 43.01 H new ATOM 567 N ALA A 48 -17.532 13.559 6.815 1.00 65.31 N ATOM 568 CA ALA A 48 -17.079 14.900 6.495 1.00 63.44 C ATOM 569 C ALA A 48 -18.194 15.708 5.834 1.00 32.23 C ATOM 570 O ALA A 48 -18.097 16.921 5.704 1.00 74.21 O ATOM 571 CB ALA A 48 -15.856 14.835 5.592 1.00 11.23 C ATOM 0 H ALA A 48 -17.283 12.860 6.115 1.00 65.31 H new ATOM 0 HA ALA A 48 -16.805 15.404 7.422 1.00 63.44 H new ATOM 0 HB1 ALA A 48 -15.523 15.846 5.357 1.00 11.23 H new ATOM 0 HB2 ALA A 48 -15.056 14.299 6.102 1.00 11.23 H new ATOM 0 HB3 ALA A 48 -16.112 14.314 4.670 1.00 11.23 H new ATOM 577 N GLY A 49 -19.242 15.020 5.418 1.00 71.32 N ATOM 578 CA GLY A 49 -20.373 15.682 4.810 1.00 12.20 C ATOM 579 C GLY A 49 -20.273 15.786 3.301 1.00 42.42 C ATOM 580 O GLY A 49 -20.696 16.780 2.719 1.00 62.20 O ATOM 0 H GLY A 49 -19.330 14.006 5.491 1.00 71.32 H new ATOM 0 HA2 GLY A 49 -21.283 15.141 5.069 1.00 12.20 H new ATOM 0 HA3 GLY A 49 -20.467 16.683 5.230 1.00 12.20 H new ATOM 584 N LEU A 50 -19.703 14.772 2.661 1.00 4.41 N ATOM 585 CA LEU A 50 -19.597 14.741 1.234 1.00 50.51 C ATOM 586 C LEU A 50 -20.956 14.439 0.658 1.00 11.05 C ATOM 587 O LEU A 50 -21.466 13.315 0.779 1.00 33.52 O ATOM 588 CB LEU A 50 -18.593 13.684 0.829 1.00 23.25 C ATOM 589 CG LEU A 50 -18.010 13.842 -0.560 1.00 74.14 C ATOM 590 CD1 LEU A 50 -17.220 15.141 -0.695 1.00 45.31 C ATOM 591 CD2 LEU A 50 -17.127 12.704 -0.873 1.00 33.44 C ATOM 0 H LEU A 50 -19.307 13.957 3.129 1.00 4.41 H new ATOM 0 HA LEU A 50 -19.254 15.703 0.853 1.00 50.51 H new ATOM 0 HB2 LEU A 50 -17.776 13.687 1.550 1.00 23.25 H new ATOM 0 HB3 LEU A 50 -19.072 12.707 0.895 1.00 23.25 H new ATOM 0 HG LEU A 50 -18.843 13.871 -1.262 1.00 74.14 H new ATOM 0 HD11 LEU A 50 -16.817 15.219 -1.705 1.00 45.31 H new ATOM 0 HD12 LEU A 50 -17.877 15.988 -0.500 1.00 45.31 H new ATOM 0 HD13 LEU A 50 -16.400 15.145 0.024 1.00 45.31 H new ATOM 0 HD21 LEU A 50 -16.714 12.829 -1.874 1.00 33.44 H new ATOM 0 HD22 LEU A 50 -16.315 12.664 -0.147 1.00 33.44 H new ATOM 0 HD23 LEU A 50 -17.699 11.777 -0.829 1.00 33.44 H new ATOM 603 N ASP A 51 -21.562 15.462 0.092 1.00 72.13 N ATOM 604 CA ASP A 51 -22.884 15.372 -0.491 1.00 34.52 C ATOM 605 C ASP A 51 -22.883 14.432 -1.670 1.00 13.14 C ATOM 606 O ASP A 51 -21.826 14.119 -2.251 1.00 51.53 O ATOM 607 CB ASP A 51 -23.402 16.747 -0.934 1.00 42.41 C ATOM 608 CG ASP A 51 -22.558 17.360 -2.024 1.00 71.52 C ATOM 609 OD1 ASP A 51 -22.754 17.015 -3.206 1.00 24.04 O ATOM 610 OD2 ASP A 51 -21.680 18.173 -1.706 1.00 3.24 O1- ATOM 0 H ASP A 51 -21.145 16.390 0.023 1.00 72.13 H new ATOM 0 HA ASP A 51 -23.550 14.985 0.281 1.00 34.52 H new ATOM 0 HB2 ASP A 51 -24.429 16.648 -1.286 1.00 42.41 H new ATOM 0 HB3 ASP A 51 -23.423 17.418 -0.075 1.00 42.41 H new ATOM 615 N SER A 52 -24.053 14.010 -2.063 1.00 52.00 N ATOM 616 CA SER A 52 -24.151 13.061 -3.109 1.00 34.10 C ATOM 617 C SER A 52 -23.888 13.631 -4.490 1.00 51.13 C ATOM 618 O SER A 52 -23.662 12.871 -5.418 1.00 13.23 O ATOM 619 CB SER A 52 -25.418 12.262 -3.042 1.00 41.03 C ATOM 620 OG SER A 52 -25.539 11.670 -1.753 1.00 72.15 O ATOM 0 H SER A 52 -24.943 14.314 -1.669 1.00 52.00 H new ATOM 0 HA SER A 52 -23.332 12.363 -2.936 1.00 34.10 H new ATOM 0 HB2 SER A 52 -26.276 12.904 -3.241 1.00 41.03 H new ATOM 0 HB3 SER A 52 -25.414 11.489 -3.810 1.00 41.03 H new ATOM 0 HG SER A 52 -25.519 10.694 -1.838 1.00 72.15 H new ATOM 626 N ILE A 53 -23.879 14.951 -4.648 1.00 75.22 N ATOM 627 CA ILE A 53 -23.542 15.470 -5.941 1.00 62.43 C ATOM 628 C ILE A 53 -22.071 15.279 -6.110 1.00 35.35 C ATOM 629 O ILE A 53 -21.647 14.833 -7.144 1.00 14.21 O ATOM 630 CB ILE A 53 -23.897 16.952 -6.198 1.00 30.41 C ATOM 631 CG1 ILE A 53 -25.396 17.213 -5.928 1.00 3.01 C ATOM 632 CG2 ILE A 53 -23.538 17.308 -7.666 1.00 33.01 C ATOM 633 CD1 ILE A 53 -26.351 16.388 -6.782 1.00 10.05 C ATOM 0 H ILE A 53 -24.092 15.641 -3.927 1.00 75.22 H new ATOM 0 HA ILE A 53 -24.147 14.925 -6.665 1.00 62.43 H new ATOM 0 HB ILE A 53 -23.324 17.583 -5.518 1.00 30.41 H new ATOM 0 HG12 ILE A 53 -25.602 17.010 -4.877 1.00 3.01 H new ATOM 0 HG13 ILE A 53 -25.602 18.270 -6.095 1.00 3.01 H new ATOM 0 HG21 ILE A 53 -23.785 18.352 -7.858 1.00 33.01 H new ATOM 0 HG22 ILE A 53 -22.472 17.151 -7.828 1.00 33.01 H new ATOM 0 HG23 ILE A 53 -24.105 16.671 -8.344 1.00 33.01 H new ATOM 0 HD11 ILE A 53 -27.380 16.638 -6.523 1.00 10.05 H new ATOM 0 HD12 ILE A 53 -26.179 16.607 -7.836 1.00 10.05 H new ATOM 0 HD13 ILE A 53 -26.179 15.327 -6.599 1.00 10.05 H new ATOM 645 N ARG A 54 -21.295 15.563 -5.050 1.00 72.11 N ATOM 646 CA ARG A 54 -19.860 15.295 -5.062 1.00 44.41 C ATOM 647 C ARG A 54 -19.619 13.837 -5.356 1.00 24.02 C ATOM 648 O ARG A 54 -18.828 13.497 -6.231 1.00 35.13 O ATOM 649 CB ARG A 54 -19.208 15.667 -3.738 1.00 43.15 C ATOM 650 CG ARG A 54 -18.585 17.044 -3.700 1.00 20.33 C ATOM 651 CD ARG A 54 -19.577 18.159 -3.927 1.00 43.31 C ATOM 652 NE ARG A 54 -18.910 19.449 -3.842 1.00 34.33 N ATOM 653 CZ ARG A 54 -19.187 20.412 -2.977 1.00 50.13 C ATOM 654 NH1 ARG A 54 -20.192 20.289 -2.106 1.00 71.01 N1+ ATOM 655 NH2 ARG A 54 -18.421 21.489 -2.975 1.00 3.53 N ATOM 0 H ARG A 54 -21.641 15.975 -4.183 1.00 72.11 H new ATOM 0 HA ARG A 54 -19.410 15.910 -5.841 1.00 44.41 H new ATOM 0 HB2 ARG A 54 -19.958 15.601 -2.949 1.00 43.15 H new ATOM 0 HB3 ARG A 54 -18.439 14.930 -3.509 1.00 43.15 H new ATOM 0 HG2 ARG A 54 -18.102 17.189 -2.734 1.00 20.33 H new ATOM 0 HG3 ARG A 54 -17.805 17.102 -4.459 1.00 20.33 H new ATOM 0 HD2 ARG A 54 -20.044 18.047 -4.905 1.00 43.31 H new ATOM 0 HD3 ARG A 54 -20.374 18.104 -3.185 1.00 43.31 H new ATOM 0 HE ARG A 54 -18.160 19.628 -4.510 1.00 34.33 H new ATOM 0 HH11 ARG A 54 -20.761 19.442 -2.100 1.00 71.01 H new ATOM 0 HH12 ARG A 54 -20.391 21.042 -1.447 1.00 71.01 H new ATOM 0 HH21 ARG A 54 -17.641 21.561 -3.628 1.00 3.53 H new ATOM 0 HH22 ARG A 54 -18.610 22.248 -2.320 1.00 3.53 H new ATOM 669 N LEU A 55 -20.360 12.995 -4.658 1.00 22.22 N ATOM 670 CA LEU A 55 -20.322 11.548 -4.839 1.00 61.11 C ATOM 671 C LEU A 55 -20.547 11.175 -6.315 1.00 64.01 C ATOM 672 O LEU A 55 -19.782 10.414 -6.904 1.00 42.42 O ATOM 673 CB LEU A 55 -21.393 10.892 -3.927 1.00 44.50 C ATOM 674 CG LEU A 55 -21.179 11.069 -2.407 1.00 42.54 C ATOM 675 CD1 LEU A 55 -22.199 10.319 -1.589 1.00 2.21 C ATOM 676 CD2 LEU A 55 -19.799 10.650 -2.001 1.00 70.32 C ATOM 0 H LEU A 55 -21.016 13.298 -3.938 1.00 22.22 H new ATOM 0 HA LEU A 55 -19.338 11.175 -4.557 1.00 61.11 H new ATOM 0 HB2 LEU A 55 -22.368 11.304 -4.188 1.00 44.50 H new ATOM 0 HB3 LEU A 55 -21.428 9.825 -4.148 1.00 44.50 H new ATOM 0 HG LEU A 55 -21.305 12.132 -2.204 1.00 42.54 H new ATOM 0 HD11 LEU A 55 -22.003 10.477 -0.529 1.00 2.21 H new ATOM 0 HD12 LEU A 55 -23.198 10.682 -1.831 1.00 2.21 H new ATOM 0 HD13 LEU A 55 -22.135 9.255 -1.815 1.00 2.21 H new ATOM 0 HD21 LEU A 55 -19.679 10.786 -0.926 1.00 70.32 H new ATOM 0 HD22 LEU A 55 -19.649 9.600 -2.253 1.00 70.32 H new ATOM 0 HD23 LEU A 55 -19.064 11.258 -2.528 1.00 70.32 H new ATOM 688 N MET A 56 -21.548 11.773 -6.919 1.00 24.44 N ATOM 689 CA MET A 56 -21.894 11.477 -8.297 1.00 53.41 C ATOM 690 C MET A 56 -21.016 12.213 -9.287 1.00 52.01 C ATOM 691 O MET A 56 -20.948 11.834 -10.448 1.00 10.04 O ATOM 692 CB MET A 56 -23.374 11.744 -8.560 1.00 33.03 C ATOM 693 CG MET A 56 -24.261 10.851 -7.730 1.00 15.15 C ATOM 694 SD MET A 56 -26.012 11.127 -7.940 1.00 4.11 S ATOM 695 CE MET A 56 -26.609 9.899 -6.776 1.00 40.01 C ATOM 0 H MET A 56 -22.143 12.473 -6.477 1.00 24.44 H new ATOM 0 HA MET A 56 -21.708 10.414 -8.449 1.00 53.41 H new ATOM 0 HB2 MET A 56 -23.600 12.787 -8.339 1.00 33.03 H new ATOM 0 HB3 MET A 56 -23.589 11.588 -9.617 1.00 33.03 H new ATOM 0 HG2 MET A 56 -24.039 9.813 -7.977 1.00 15.15 H new ATOM 0 HG3 MET A 56 -24.010 10.990 -6.678 1.00 15.15 H new ATOM 0 HE1 MET A 56 -27.699 9.913 -6.759 1.00 40.01 H new ATOM 0 HE2 MET A 56 -26.263 8.911 -7.080 1.00 40.01 H new ATOM 0 HE3 MET A 56 -26.228 10.126 -5.780 1.00 40.01 H new ATOM 705 N ARG A 57 -20.354 13.274 -8.847 1.00 32.43 N ATOM 706 CA ARG A 57 -19.458 13.985 -9.718 1.00 14.21 C ATOM 707 C ARG A 57 -18.203 13.175 -9.912 1.00 41.30 C ATOM 708 O ARG A 57 -17.700 13.024 -11.030 1.00 32.14 O ATOM 709 CB ARG A 57 -19.079 15.391 -9.206 1.00 74.11 C ATOM 710 CG ARG A 57 -20.214 16.422 -9.185 1.00 42.54 C ATOM 711 CD ARG A 57 -20.931 16.574 -10.542 1.00 51.33 C ATOM 712 NE ARG A 57 -21.799 15.414 -10.857 1.00 75.21 N ATOM 713 CZ ARG A 57 -21.928 14.831 -12.068 1.00 20.52 C ATOM 714 NH1 ARG A 57 -21.307 15.344 -13.135 1.00 10.04 N1+ ATOM 715 NH2 ARG A 57 -22.683 13.740 -12.207 1.00 64.43 N ATOM 0 H ARG A 57 -20.426 13.650 -7.902 1.00 32.43 H new ATOM 0 HA ARG A 57 -19.988 14.126 -10.660 1.00 14.21 H new ATOM 0 HB2 ARG A 57 -18.683 15.294 -8.195 1.00 74.11 H new ATOM 0 HB3 ARG A 57 -18.273 15.779 -9.829 1.00 74.11 H new ATOM 0 HG2 ARG A 57 -20.943 16.133 -8.428 1.00 42.54 H new ATOM 0 HG3 ARG A 57 -19.810 17.389 -8.886 1.00 42.54 H new ATOM 0 HD2 ARG A 57 -21.533 17.482 -10.532 1.00 51.33 H new ATOM 0 HD3 ARG A 57 -20.188 16.693 -11.331 1.00 51.33 H new ATOM 0 HE ARG A 57 -22.347 15.022 -10.091 1.00 75.21 H new ATOM 0 HH11 ARG A 57 -20.732 16.181 -13.037 1.00 10.04 H new ATOM 0 HH12 ARG A 57 -21.408 14.899 -14.047 1.00 10.04 H new ATOM 0 HH21 ARG A 57 -23.163 13.346 -11.398 1.00 64.43 H new ATOM 0 HH22 ARG A 57 -22.780 13.300 -13.122 1.00 64.43 H new ATOM 729 N TRP A 58 -17.742 12.603 -8.806 1.00 21.32 N ATOM 730 CA TRP A 58 -16.522 11.829 -8.770 1.00 54.01 C ATOM 731 C TRP A 58 -16.577 10.562 -9.601 1.00 53.32 C ATOM 732 O TRP A 58 -15.546 10.119 -10.103 1.00 14.43 O ATOM 733 CB TRP A 58 -16.090 11.504 -7.342 1.00 3.34 C ATOM 734 CG TRP A 58 -15.542 12.666 -6.555 1.00 60.44 C ATOM 735 CD1 TRP A 58 -15.886 13.036 -5.282 1.00 72.52 C ATOM 736 CD2 TRP A 58 -14.546 13.607 -6.988 1.00 14.04 C ATOM 737 NE1 TRP A 58 -15.143 14.111 -4.885 1.00 61.03 N ATOM 738 CE2 TRP A 58 -14.311 14.485 -5.920 1.00 52.24 C ATOM 739 CE3 TRP A 58 -13.819 13.783 -8.174 1.00 11.35 C ATOM 740 CZ2 TRP A 58 -13.376 15.514 -6.007 1.00 72.10 C ATOM 741 CZ3 TRP A 58 -12.905 14.806 -8.249 1.00 25.41 C ATOM 742 CH2 TRP A 58 -12.690 15.652 -7.173 1.00 51.10 C ATOM 0 H TRP A 58 -18.214 12.668 -7.904 1.00 21.32 H new ATOM 0 HA TRP A 58 -15.771 12.474 -9.226 1.00 54.01 H new ATOM 0 HB2 TRP A 58 -16.946 11.094 -6.805 1.00 3.34 H new ATOM 0 HB3 TRP A 58 -15.332 10.721 -7.378 1.00 3.34 H new ATOM 0 HD1 TRP A 58 -16.637 12.548 -4.679 1.00 72.52 H new ATOM 0 HE1 TRP A 58 -15.195 14.563 -3.972 1.00 61.03 H new ATOM 0 HE3 TRP A 58 -13.975 13.124 -9.016 1.00 11.35 H new ATOM 0 HZ2 TRP A 58 -13.202 16.181 -5.175 1.00 72.10 H new ATOM 0 HZ3 TRP A 58 -12.345 14.953 -9.161 1.00 25.41 H new ATOM 0 HH2 TRP A 58 -11.959 16.442 -7.263 1.00 51.10 H new ATOM 753 N LEU A 59 -17.766 9.991 -9.773 1.00 22.50 N ATOM 754 CA LEU A 59 -17.912 8.754 -10.546 1.00 72.23 C ATOM 755 C LEU A 59 -17.359 8.928 -11.967 1.00 43.54 C ATOM 756 O LEU A 59 -16.671 8.041 -12.498 1.00 30.21 O ATOM 757 CB LEU A 59 -19.374 8.289 -10.599 1.00 71.34 C ATOM 758 CG LEU A 59 -19.614 6.952 -11.314 1.00 60.24 C ATOM 759 CD1 LEU A 59 -18.909 5.806 -10.597 1.00 1.30 C ATOM 760 CD2 LEU A 59 -21.095 6.662 -11.459 1.00 22.45 C ATOM 0 H LEU A 59 -18.638 10.359 -9.392 1.00 22.50 H new ATOM 0 HA LEU A 59 -17.333 7.984 -10.036 1.00 72.23 H new ATOM 0 HB2 LEU A 59 -19.749 8.209 -9.579 1.00 71.34 H new ATOM 0 HB3 LEU A 59 -19.965 9.059 -11.096 1.00 71.34 H new ATOM 0 HG LEU A 59 -19.188 7.038 -12.314 1.00 60.24 H new ATOM 0 HD11 LEU A 59 -19.098 4.873 -11.128 1.00 1.30 H new ATOM 0 HD12 LEU A 59 -17.836 5.998 -10.572 1.00 1.30 H new ATOM 0 HD13 LEU A 59 -19.288 5.727 -9.578 1.00 1.30 H new ATOM 0 HD21 LEU A 59 -21.231 5.708 -11.969 1.00 22.45 H new ATOM 0 HD22 LEU A 59 -21.555 6.614 -10.472 1.00 22.45 H new ATOM 0 HD23 LEU A 59 -21.566 7.455 -12.040 1.00 22.45 H new ATOM 772 N HIS A 60 -17.600 10.097 -12.546 1.00 33.11 N ATOM 773 CA HIS A 60 -17.124 10.398 -13.894 1.00 1.31 C ATOM 774 C HIS A 60 -15.610 10.538 -13.890 1.00 14.54 C ATOM 775 O HIS A 60 -14.935 10.162 -14.842 1.00 51.31 O ATOM 776 CB HIS A 60 -17.738 11.705 -14.436 1.00 74.02 C ATOM 777 CG HIS A 60 -19.235 11.715 -14.586 1.00 52.50 C ATOM 778 ND1 HIS A 60 -19.896 11.388 -15.752 1.00 24.21 N ATOM 779 CD2 HIS A 60 -20.195 12.080 -13.706 1.00 13.53 C ATOM 780 CE1 HIS A 60 -21.205 11.565 -15.553 1.00 73.01 C ATOM 781 NE2 HIS A 60 -21.446 11.989 -14.322 1.00 72.25 N ATOM 0 H HIS A 60 -18.122 10.854 -12.105 1.00 33.11 H new ATOM 0 HA HIS A 60 -17.429 9.574 -14.539 1.00 1.31 H new ATOM 0 HB2 HIS A 60 -17.453 12.520 -13.771 1.00 74.02 H new ATOM 0 HB3 HIS A 60 -17.293 11.917 -15.408 1.00 74.02 H new ATOM 0 HD1 HIS A 60 -19.460 11.067 -16.617 1.00 24.21 H new ATOM 0 HD2 HIS A 60 -20.022 12.393 -12.687 1.00 13.53 H new ATOM 0 HE1 HIS A 60 -21.966 11.386 -16.298 1.00 73.01 H new ATOM 789 N TRP A 61 -15.089 11.028 -12.783 1.00 62.22 N ATOM 790 CA TRP A 61 -13.681 11.320 -12.647 1.00 33.04 C ATOM 791 C TRP A 61 -12.877 10.008 -12.539 1.00 41.31 C ATOM 792 O TRP A 61 -11.718 9.936 -12.965 1.00 42.42 O ATOM 793 CB TRP A 61 -13.463 12.211 -11.418 1.00 2.23 C ATOM 794 CG TRP A 61 -12.259 13.089 -11.514 1.00 64.15 C ATOM 795 CD1 TRP A 61 -12.240 14.381 -11.927 1.00 33.34 C ATOM 796 CD2 TRP A 61 -10.918 12.756 -11.199 1.00 21.21 C ATOM 797 NE1 TRP A 61 -10.965 14.869 -11.909 1.00 61.33 N ATOM 798 CE2 TRP A 61 -10.132 13.894 -11.463 1.00 15.41 C ATOM 799 CE3 TRP A 61 -10.302 11.614 -10.727 1.00 32.24 C ATOM 800 CZ2 TRP A 61 -8.767 13.911 -11.270 1.00 43.00 C ATOM 801 CZ3 TRP A 61 -8.957 11.635 -10.536 1.00 31.23 C ATOM 802 CH2 TRP A 61 -8.200 12.773 -10.807 1.00 74.12 C ATOM 0 H TRP A 61 -15.637 11.235 -11.948 1.00 62.22 H new ATOM 0 HA TRP A 61 -13.328 11.855 -13.529 1.00 33.04 H new ATOM 0 HB2 TRP A 61 -14.345 12.835 -11.272 1.00 2.23 H new ATOM 0 HB3 TRP A 61 -13.370 11.579 -10.535 1.00 2.23 H new ATOM 0 HD1 TRP A 61 -13.111 14.944 -12.228 1.00 33.34 H new ATOM 0 HE1 TRP A 61 -10.685 15.810 -12.185 1.00 61.33 H new ATOM 0 HE3 TRP A 61 -10.876 10.724 -10.514 1.00 32.24 H new ATOM 0 HZ2 TRP A 61 -8.178 14.792 -11.479 1.00 43.00 H new ATOM 0 HZ3 TRP A 61 -8.463 10.749 -10.165 1.00 31.23 H new ATOM 0 HH2 TRP A 61 -7.133 12.746 -10.643 1.00 74.12 H new ATOM 813 N PHE A 62 -13.501 8.979 -11.985 1.00 43.21 N ATOM 814 CA PHE A 62 -12.883 7.657 -11.911 1.00 23.55 C ATOM 815 C PHE A 62 -12.864 7.008 -13.266 1.00 10.30 C ATOM 816 O PHE A 62 -11.815 6.597 -13.776 1.00 2.33 O ATOM 817 CB PHE A 62 -13.639 6.736 -10.963 1.00 44.34 C ATOM 818 CG PHE A 62 -13.467 7.054 -9.534 1.00 12.41 C ATOM 819 CD1 PHE A 62 -12.297 6.732 -8.908 1.00 71.04 C ATOM 820 CD2 PHE A 62 -14.474 7.642 -8.808 1.00 53.44 C ATOM 821 CE1 PHE A 62 -12.122 6.991 -7.578 1.00 4.54 C ATOM 822 CE2 PHE A 62 -14.307 7.910 -7.477 1.00 60.40 C ATOM 823 CZ PHE A 62 -13.124 7.580 -6.865 1.00 43.02 C ATOM 0 H PHE A 62 -14.435 9.031 -11.579 1.00 43.21 H new ATOM 0 HA PHE A 62 -11.868 7.805 -11.542 1.00 23.55 H new ATOM 0 HB2 PHE A 62 -14.701 6.778 -11.206 1.00 44.34 H new ATOM 0 HB3 PHE A 62 -13.312 5.711 -11.136 1.00 44.34 H new ATOM 0 HD1 PHE A 62 -11.501 6.267 -9.471 1.00 71.04 H new ATOM 0 HD2 PHE A 62 -15.406 7.895 -9.292 1.00 53.44 H new ATOM 0 HE1 PHE A 62 -11.193 6.730 -7.093 1.00 4.54 H new ATOM 0 HE2 PHE A 62 -15.100 8.378 -6.912 1.00 60.40 H new ATOM 0 HZ PHE A 62 -12.986 7.788 -5.814 1.00 43.02 H new ATOM 833 N ARG A 63 -14.028 6.953 -13.867 1.00 63.41 N ATOM 834 CA ARG A 63 -14.223 6.294 -15.145 1.00 74.52 C ATOM 835 C ARG A 63 -13.435 7.016 -16.271 1.00 5.52 C ATOM 836 O ARG A 63 -13.221 6.456 -17.330 1.00 11.21 O ATOM 837 CB ARG A 63 -15.726 6.207 -15.447 1.00 30.12 C ATOM 838 CG ARG A 63 -16.547 5.451 -14.397 1.00 35.15 C ATOM 839 CD ARG A 63 -16.783 3.996 -14.789 1.00 13.33 C ATOM 840 NE ARG A 63 -15.536 3.248 -15.038 1.00 12.42 N ATOM 841 CZ ARG A 63 -15.355 2.339 -16.013 1.00 14.30 C ATOM 842 NH1 ARG A 63 -16.348 2.051 -16.866 1.00 31.42 N1+ ATOM 843 NH2 ARG A 63 -14.176 1.724 -16.130 1.00 51.01 N ATOM 0 H ARG A 63 -14.877 7.367 -13.483 1.00 63.41 H new ATOM 0 HA ARG A 63 -13.827 5.280 -15.096 1.00 74.52 H new ATOM 0 HB2 ARG A 63 -16.123 7.218 -15.540 1.00 30.12 H new ATOM 0 HB3 ARG A 63 -15.861 5.721 -16.413 1.00 30.12 H new ATOM 0 HG2 ARG A 63 -16.030 5.488 -13.438 1.00 35.15 H new ATOM 0 HG3 ARG A 63 -17.507 5.949 -14.261 1.00 35.15 H new ATOM 0 HD2 ARG A 63 -17.344 3.500 -13.997 1.00 13.33 H new ATOM 0 HD3 ARG A 63 -17.402 3.965 -15.685 1.00 13.33 H new ATOM 0 HE ARG A 63 -14.746 3.435 -14.420 1.00 12.42 H new ATOM 0 HH11 ARG A 63 -17.248 2.522 -16.778 1.00 31.42 H new ATOM 0 HH12 ARG A 63 -16.203 1.361 -17.603 1.00 31.42 H new ATOM 0 HH21 ARG A 63 -13.419 1.944 -15.482 1.00 51.01 H new ATOM 0 HH22 ARG A 63 -14.032 1.034 -16.867 1.00 51.01 H new ATOM 857 N LYS A 64 -12.991 8.245 -15.966 1.00 25.34 N ATOM 858 CA LYS A 64 -12.142 9.109 -16.820 1.00 40.35 C ATOM 859 C LYS A 64 -10.923 8.350 -17.369 1.00 10.41 C ATOM 860 O LYS A 64 -10.625 8.417 -18.548 1.00 51.11 O ATOM 861 CB LYS A 64 -11.656 10.287 -15.947 1.00 25.22 C ATOM 862 CG LYS A 64 -10.774 11.341 -16.618 1.00 73.20 C ATOM 863 CD LYS A 64 -10.333 12.439 -15.609 1.00 71.13 C ATOM 864 CE LYS A 64 -9.082 12.077 -14.745 1.00 54.24 C ATOM 865 NZ LYS A 64 -9.195 10.807 -13.978 1.00 60.34 N1+ ATOM 0 H LYS A 64 -13.221 8.690 -15.077 1.00 25.34 H new ATOM 0 HA LYS A 64 -12.725 9.451 -17.675 1.00 40.35 H new ATOM 0 HB2 LYS A 64 -12.534 10.790 -15.541 1.00 25.22 H new ATOM 0 HB3 LYS A 64 -11.105 9.875 -15.101 1.00 25.22 H new ATOM 0 HG2 LYS A 64 -9.893 10.862 -17.045 1.00 73.20 H new ATOM 0 HG3 LYS A 64 -11.318 11.801 -17.443 1.00 73.20 H new ATOM 0 HD2 LYS A 64 -10.122 13.355 -16.161 1.00 71.13 H new ATOM 0 HD3 LYS A 64 -11.167 12.654 -14.941 1.00 71.13 H new ATOM 0 HE2 LYS A 64 -8.213 12.013 -15.400 1.00 54.24 H new ATOM 0 HE3 LYS A 64 -8.894 12.891 -14.045 1.00 54.24 H new ATOM 0 HZ1 LYS A 64 -8.506 10.809 -13.199 1.00 60.34 H new ATOM 0 HZ2 LYS A 64 -10.156 10.720 -13.590 1.00 60.34 H new ATOM 0 HZ3 LYS A 64 -9.002 10.002 -14.608 1.00 60.34 H new ATOM 879 N ASN A 65 -10.238 7.623 -16.499 1.00 25.52 N ATOM 880 CA ASN A 65 -9.025 6.880 -16.907 1.00 44.41 C ATOM 881 C ASN A 65 -9.351 5.426 -17.012 1.00 13.51 C ATOM 882 O ASN A 65 -8.471 4.572 -17.074 1.00 21.04 O ATOM 883 CB ASN A 65 -7.878 7.049 -15.897 1.00 45.31 C ATOM 884 CG ASN A 65 -7.341 8.458 -15.775 1.00 14.42 C ATOM 885 OD1 ASN A 65 -8.047 9.427 -16.011 1.00 52.14 O ATOM 886 ND2 ASN A 65 -6.109 8.584 -15.362 1.00 51.51 N ATOM 0 H ASN A 65 -10.486 7.523 -15.515 1.00 25.52 H new ATOM 0 HA ASN A 65 -8.700 7.282 -17.867 1.00 44.41 H new ATOM 0 HB2 ASN A 65 -8.225 6.722 -14.917 1.00 45.31 H new ATOM 0 HB3 ASN A 65 -7.060 6.387 -16.183 1.00 45.31 H new ATOM 0 HD21 ASN A 65 -5.709 9.512 -15.227 1.00 51.51 H new ATOM 0 HD22 ASN A 65 -5.547 7.754 -15.174 1.00 51.51 H new ATOM 893 N GLY A 66 -10.623 5.140 -17.029 1.00 53.12 N ATOM 894 CA GLY A 66 -11.060 3.793 -17.089 1.00 22.33 C ATOM 895 C GLY A 66 -11.008 3.110 -15.743 1.00 43.00 C ATOM 896 O GLY A 66 -11.081 1.875 -15.678 1.00 73.25 O ATOM 0 H GLY A 66 -11.371 5.833 -17.002 1.00 53.12 H new ATOM 0 HA2 GLY A 66 -12.081 3.762 -17.470 1.00 22.33 H new ATOM 0 HA3 GLY A 66 -10.439 3.244 -17.796 1.00 22.33 H new ATOM 900 N TYR A 67 -10.916 3.895 -14.648 1.00 65.14 N ATOM 901 CA TYR A 67 -10.890 3.307 -13.311 1.00 13.53 C ATOM 902 C TYR A 67 -12.172 2.593 -13.039 1.00 14.12 C ATOM 903 O TYR A 67 -13.197 2.880 -13.665 1.00 12.33 O ATOM 904 CB TYR A 67 -10.507 4.281 -12.205 1.00 43.51 C ATOM 905 CG TYR A 67 -9.094 4.770 -12.346 1.00 64.13 C ATOM 906 CD1 TYR A 67 -8.812 6.110 -12.446 1.00 62.05 C ATOM 907 CD2 TYR A 67 -8.039 3.871 -12.414 1.00 42.45 C ATOM 908 CE1 TYR A 67 -7.516 6.545 -12.608 1.00 31.05 C ATOM 909 CE2 TYR A 67 -6.744 4.298 -12.570 1.00 2.12 C ATOM 910 CZ TYR A 67 -6.487 5.635 -12.668 1.00 2.11 C ATOM 911 OH TYR A 67 -5.201 6.069 -12.851 1.00 65.22 O ATOM 0 H TYR A 67 -10.860 4.913 -14.671 1.00 65.14 H new ATOM 0 HA TYR A 67 -10.080 2.577 -13.302 1.00 13.53 H new ATOM 0 HB2 TYR A 67 -11.188 5.132 -12.221 1.00 43.51 H new ATOM 0 HB3 TYR A 67 -10.627 3.795 -11.237 1.00 43.51 H new ATOM 0 HD1 TYR A 67 -9.615 6.830 -12.397 1.00 62.05 H new ATOM 0 HD2 TYR A 67 -8.241 2.813 -12.343 1.00 42.45 H new ATOM 0 HE1 TYR A 67 -7.307 7.602 -12.688 1.00 31.05 H new ATOM 0 HE2 TYR A 67 -5.936 3.583 -12.615 1.00 2.12 H new ATOM 0 HH TYR A 67 -4.619 5.301 -13.029 1.00 65.22 H new ATOM 921 N ARG A 68 -12.159 1.711 -12.104 1.00 3.33 N ATOM 922 CA ARG A 68 -13.219 0.704 -12.100 1.00 73.30 C ATOM 923 C ARG A 68 -13.951 0.634 -10.802 1.00 53.31 C ATOM 924 O ARG A 68 -13.532 -0.087 -9.889 1.00 20.03 O ATOM 925 CB ARG A 68 -12.680 -0.724 -12.474 1.00 23.33 C ATOM 926 CG ARG A 68 -11.589 -0.754 -13.550 1.00 71.11 C ATOM 927 CD ARG A 68 -10.245 -0.485 -12.905 1.00 51.32 C ATOM 928 NE ARG A 68 -9.223 0.013 -13.826 1.00 43.41 N ATOM 929 CZ ARG A 68 -8.043 0.515 -13.404 1.00 24.34 C ATOM 930 NH1 ARG A 68 -7.774 0.542 -12.106 1.00 31.02 N1+ ATOM 931 NH2 ARG A 68 -7.142 0.982 -14.269 1.00 25.04 N ATOM 0 H ARG A 68 -11.471 1.644 -11.354 1.00 3.33 H new ATOM 0 HA ARG A 68 -13.922 1.029 -12.867 1.00 73.30 H new ATOM 0 HB2 ARG A 68 -12.289 -1.194 -11.571 1.00 23.33 H new ATOM 0 HB3 ARG A 68 -13.518 -1.333 -12.813 1.00 23.33 H new ATOM 0 HG2 ARG A 68 -11.579 -1.724 -14.048 1.00 71.11 H new ATOM 0 HG3 ARG A 68 -11.795 -0.005 -14.315 1.00 71.11 H new ATOM 0 HD2 ARG A 68 -10.379 0.241 -12.103 1.00 51.32 H new ATOM 0 HD3 ARG A 68 -9.885 -1.405 -12.445 1.00 51.32 H new ATOM 0 HE ARG A 68 -9.410 -0.020 -14.828 1.00 43.41 H new ATOM 0 HH11 ARG A 68 -8.456 0.185 -11.436 1.00 31.02 H new ATOM 0 HH12 ARG A 68 -6.885 0.919 -11.777 1.00 31.02 H new ATOM 0 HH21 ARG A 68 -7.339 0.964 -15.270 1.00 25.04 H new ATOM 0 HH22 ARG A 68 -6.256 1.357 -13.930 1.00 25.04 H new ATOM 945 N LEU A 69 -15.021 1.377 -10.691 1.00 24.32 N ATOM 946 CA LEU A 69 -15.826 1.297 -9.497 1.00 55.41 C ATOM 947 C LEU A 69 -17.220 1.774 -9.739 1.00 4.31 C ATOM 948 O LEU A 69 -17.506 2.401 -10.770 1.00 73.33 O ATOM 949 CB LEU A 69 -15.156 2.006 -8.288 1.00 5.35 C ATOM 950 CG LEU A 69 -14.751 3.482 -8.437 1.00 30.21 C ATOM 951 CD1 LEU A 69 -15.951 4.420 -8.421 1.00 44.40 C ATOM 952 CD2 LEU A 69 -13.764 3.852 -7.359 1.00 11.01 C ATOM 0 H LEU A 69 -15.352 2.034 -11.398 1.00 24.32 H new ATOM 0 HA LEU A 69 -15.897 0.243 -9.229 1.00 55.41 H new ATOM 0 HB2 LEU A 69 -15.838 1.933 -7.441 1.00 5.35 H new ATOM 0 HB3 LEU A 69 -14.261 1.441 -8.026 1.00 5.35 H new ATOM 0 HG LEU A 69 -14.280 3.599 -9.413 1.00 30.21 H new ATOM 0 HD11 LEU A 69 -15.610 5.449 -8.529 1.00 44.40 H new ATOM 0 HD12 LEU A 69 -16.619 4.170 -9.245 1.00 44.40 H new ATOM 0 HD13 LEU A 69 -16.484 4.312 -7.477 1.00 44.40 H new ATOM 0 HD21 LEU A 69 -13.480 4.899 -7.469 1.00 11.01 H new ATOM 0 HD22 LEU A 69 -14.220 3.701 -6.381 1.00 11.01 H new ATOM 0 HD23 LEU A 69 -12.877 3.225 -7.447 1.00 11.01 H new ATOM 964 N THR A 70 -18.073 1.467 -8.816 1.00 54.24 N ATOM 965 CA THR A 70 -19.420 1.898 -8.849 1.00 0.13 C ATOM 966 C THR A 70 -19.690 2.717 -7.593 1.00 42.43 C ATOM 967 O THR A 70 -19.154 2.423 -6.531 1.00 40.00 O ATOM 968 CB THR A 70 -20.394 0.698 -8.974 1.00 5.12 C ATOM 969 OG1 THR A 70 -20.061 -0.314 -8.015 1.00 3.44 O ATOM 970 CG2 THR A 70 -20.358 0.102 -10.376 1.00 34.13 C ATOM 0 H THR A 70 -17.841 0.897 -8.003 1.00 54.24 H new ATOM 0 HA THR A 70 -19.588 2.519 -9.729 1.00 0.13 H new ATOM 0 HB THR A 70 -21.401 1.066 -8.780 1.00 5.12 H new ATOM 0 HG1 THR A 70 -19.693 -1.095 -8.478 1.00 3.44 H new ATOM 0 HG21 THR A 70 -21.051 -0.737 -10.432 1.00 34.13 H new ATOM 0 HG22 THR A 70 -20.648 0.862 -11.102 1.00 34.13 H new ATOM 0 HG23 THR A 70 -19.349 -0.245 -10.598 1.00 34.13 H new ATOM 978 N LEU A 71 -20.507 3.734 -7.711 1.00 23.15 N ATOM 979 CA LEU A 71 -20.755 4.667 -6.611 1.00 51.43 C ATOM 980 C LEU A 71 -21.382 3.997 -5.388 1.00 65.42 C ATOM 981 O LEU A 71 -21.213 4.462 -4.267 1.00 64.24 O ATOM 982 CB LEU A 71 -21.644 5.761 -7.077 1.00 53.55 C ATOM 983 CG LEU A 71 -21.859 6.903 -6.121 1.00 1.01 C ATOM 984 CD1 LEU A 71 -20.552 7.521 -5.801 1.00 52.20 C ATOM 985 CD2 LEU A 71 -22.798 7.915 -6.713 1.00 5.24 C ATOM 0 H LEU A 71 -21.023 3.948 -8.564 1.00 23.15 H new ATOM 0 HA LEU A 71 -19.785 5.059 -6.304 1.00 51.43 H new ATOM 0 HB2 LEU A 71 -21.233 6.164 -8.003 1.00 53.55 H new ATOM 0 HB3 LEU A 71 -22.616 5.331 -7.320 1.00 53.55 H new ATOM 0 HG LEU A 71 -22.311 6.528 -5.203 1.00 1.01 H new ATOM 0 HD11 LEU A 71 -20.701 8.349 -5.108 1.00 52.20 H new ATOM 0 HD12 LEU A 71 -19.900 6.777 -5.342 1.00 52.20 H new ATOM 0 HD13 LEU A 71 -20.091 7.892 -6.716 1.00 52.20 H new ATOM 0 HD21 LEU A 71 -22.942 8.734 -6.008 1.00 5.24 H new ATOM 0 HD22 LEU A 71 -22.376 8.304 -7.640 1.00 5.24 H new ATOM 0 HD23 LEU A 71 -23.758 7.443 -6.921 1.00 5.24 H new ATOM 997 N ARG A 72 -22.077 2.884 -5.613 1.00 43.30 N ATOM 998 CA ARG A 72 -22.706 2.103 -4.531 1.00 50.21 C ATOM 999 C ARG A 72 -21.630 1.701 -3.492 1.00 72.40 C ATOM 1000 O ARG A 72 -21.910 1.542 -2.315 1.00 14.42 O ATOM 1001 CB ARG A 72 -23.332 0.808 -5.115 1.00 12.01 C ATOM 1002 CG ARG A 72 -22.269 -0.101 -5.694 1.00 22.12 C ATOM 1003 CD ARG A 72 -22.735 -1.455 -6.169 1.00 21.23 C ATOM 1004 NE ARG A 72 -21.544 -2.223 -6.565 1.00 70.40 N ATOM 1005 CZ ARG A 72 -21.339 -3.527 -6.377 1.00 12.23 C ATOM 1006 NH1 ARG A 72 -22.368 -4.343 -6.106 1.00 44.54 N1+ ATOM 1007 NH2 ARG A 72 -20.098 -4.019 -6.477 1.00 73.12 N ATOM 0 H ARG A 72 -22.224 2.493 -6.544 1.00 43.30 H new ATOM 0 HA ARG A 72 -23.478 2.710 -4.059 1.00 50.21 H new ATOM 0 HB2 ARG A 72 -23.879 0.281 -4.333 1.00 12.01 H new ATOM 0 HB3 ARG A 72 -24.054 1.067 -5.889 1.00 12.01 H new ATOM 0 HG2 ARG A 72 -21.799 0.413 -6.533 1.00 22.12 H new ATOM 0 HG3 ARG A 72 -21.498 -0.250 -4.939 1.00 22.12 H new ATOM 0 HD2 ARG A 72 -23.278 -1.972 -5.378 1.00 21.23 H new ATOM 0 HD3 ARG A 72 -23.420 -1.350 -7.010 1.00 21.23 H new ATOM 0 HE ARG A 72 -20.799 -1.705 -7.031 1.00 70.40 H new ATOM 0 HH11 ARG A 72 -23.314 -3.967 -6.043 1.00 44.54 H new ATOM 0 HH12 ARG A 72 -22.205 -5.340 -5.963 1.00 44.54 H new ATOM 0 HH21 ARG A 72 -19.319 -3.398 -6.695 1.00 73.12 H new ATOM 0 HH22 ARG A 72 -19.931 -5.015 -6.335 1.00 73.12 H new ATOM 1021 N GLU A 73 -20.390 1.621 -3.965 1.00 61.01 N ATOM 1022 CA GLU A 73 -19.266 1.131 -3.169 1.00 42.55 C ATOM 1023 C GLU A 73 -18.675 2.265 -2.365 1.00 64.42 C ATOM 1024 O GLU A 73 -18.097 2.063 -1.299 1.00 63.14 O ATOM 1025 CB GLU A 73 -18.217 0.502 -4.110 1.00 41.24 C ATOM 1026 CG GLU A 73 -18.845 -0.548 -5.003 1.00 0.33 C ATOM 1027 CD GLU A 73 -17.959 -1.174 -6.046 1.00 51.23 C ATOM 1028 OE1 GLU A 73 -17.452 -0.458 -6.950 1.00 61.10 O ATOM 1029 OE2 GLU A 73 -17.872 -2.409 -6.071 1.00 45.34 O1- ATOM 0 H GLU A 73 -20.134 1.895 -4.914 1.00 61.01 H new ATOM 0 HA GLU A 73 -19.606 0.368 -2.469 1.00 42.55 H new ATOM 0 HB2 GLU A 73 -17.761 1.280 -4.723 1.00 41.24 H new ATOM 0 HB3 GLU A 73 -17.418 0.052 -3.520 1.00 41.24 H new ATOM 0 HG2 GLU A 73 -19.236 -1.343 -4.368 1.00 0.33 H new ATOM 0 HG3 GLU A 73 -19.698 -0.096 -5.509 1.00 0.33 H new ATOM 1036 N LEU A 74 -18.906 3.467 -2.846 1.00 4.01 N ATOM 1037 CA LEU A 74 -18.363 4.654 -2.236 1.00 73.31 C ATOM 1038 C LEU A 74 -19.262 5.084 -1.081 1.00 14.04 C ATOM 1039 O LEU A 74 -18.829 5.778 -0.164 1.00 14.10 O ATOM 1040 CB LEU A 74 -18.212 5.768 -3.285 1.00 64.14 C ATOM 1041 CG LEU A 74 -17.500 5.356 -4.604 1.00 4.51 C ATOM 1042 CD1 LEU A 74 -17.203 6.555 -5.483 1.00 64.11 C ATOM 1043 CD2 LEU A 74 -16.232 4.566 -4.340 1.00 15.42 C ATOM 0 H LEU A 74 -19.477 3.646 -3.672 1.00 4.01 H new ATOM 0 HA LEU A 74 -17.370 4.445 -1.837 1.00 73.31 H new ATOM 0 HB2 LEU A 74 -19.204 6.147 -3.532 1.00 64.14 H new ATOM 0 HB3 LEU A 74 -17.658 6.592 -2.836 1.00 64.14 H new ATOM 0 HG LEU A 74 -18.194 4.708 -5.140 1.00 4.51 H new ATOM 0 HD11 LEU A 74 -16.705 6.224 -6.394 1.00 64.11 H new ATOM 0 HD12 LEU A 74 -18.136 7.057 -5.741 1.00 64.11 H new ATOM 0 HD13 LEU A 74 -16.554 7.248 -4.947 1.00 64.11 H new ATOM 0 HD21 LEU A 74 -15.766 4.298 -5.288 1.00 15.42 H new ATOM 0 HD22 LEU A 74 -15.541 5.172 -3.755 1.00 15.42 H new ATOM 0 HD23 LEU A 74 -16.477 3.659 -3.787 1.00 15.42 H new ATOM 1055 N TYR A 75 -20.530 4.680 -1.164 1.00 32.21 N ATOM 1056 CA TYR A 75 -21.475 4.844 -0.070 1.00 1.33 C ATOM 1057 C TYR A 75 -21.239 3.765 0.976 1.00 73.20 C ATOM 1058 O TYR A 75 -21.266 4.037 2.169 1.00 61.31 O ATOM 1059 CB TYR A 75 -22.929 4.717 -0.547 1.00 42.00 C ATOM 1060 CG TYR A 75 -23.535 5.907 -1.251 1.00 62.22 C ATOM 1061 CD1 TYR A 75 -24.234 6.863 -0.528 1.00 62.11 C ATOM 1062 CD2 TYR A 75 -23.461 6.052 -2.627 1.00 50.22 C ATOM 1063 CE1 TYR A 75 -24.845 7.926 -1.152 1.00 72.20 C ATOM 1064 CE2 TYR A 75 -24.062 7.123 -3.259 1.00 13.21 C ATOM 1065 CZ TYR A 75 -24.756 8.052 -2.519 1.00 31.43 C ATOM 1066 OH TYR A 75 -25.365 9.108 -3.148 1.00 32.45 O ATOM 0 H TYR A 75 -20.925 4.232 -1.991 1.00 32.21 H new ATOM 0 HA TYR A 75 -21.318 5.840 0.343 1.00 1.33 H new ATOM 0 HB2 TYR A 75 -22.990 3.861 -1.219 1.00 42.00 H new ATOM 0 HB3 TYR A 75 -23.549 4.486 0.319 1.00 42.00 H new ATOM 0 HD1 TYR A 75 -24.300 6.771 0.546 1.00 62.11 H new ATOM 0 HD2 TYR A 75 -22.927 5.318 -3.213 1.00 50.22 H new ATOM 0 HE1 TYR A 75 -25.391 8.656 -0.573 1.00 72.20 H new ATOM 0 HE2 TYR A 75 -23.987 7.231 -4.331 1.00 13.21 H new ATOM 0 HH TYR A 75 -25.205 9.050 -4.113 1.00 32.45 H new ATOM 1076 N ALA A 76 -21.020 2.530 0.495 1.00 43.10 N ATOM 1077 CA ALA A 76 -20.822 1.361 1.357 1.00 44.33 C ATOM 1078 C ALA A 76 -19.619 1.540 2.264 1.00 3.21 C ATOM 1079 O ALA A 76 -19.685 1.273 3.461 1.00 20.04 O ATOM 1080 CB ALA A 76 -20.676 0.099 0.518 1.00 24.54 C ATOM 0 H ALA A 76 -20.976 2.318 -0.502 1.00 43.10 H new ATOM 0 HA ALA A 76 -21.704 1.260 1.990 1.00 44.33 H new ATOM 0 HB1 ALA A 76 -20.530 -0.759 1.174 1.00 24.54 H new ATOM 0 HB2 ALA A 76 -21.577 -0.049 -0.077 1.00 24.54 H new ATOM 0 HB3 ALA A 76 -19.816 0.200 -0.144 1.00 24.54 H new ATOM 1086 N ALA A 77 -18.528 1.974 1.695 1.00 31.11 N ATOM 1087 CA ALA A 77 -17.357 2.262 2.463 1.00 25.32 C ATOM 1088 C ALA A 77 -16.908 3.670 2.145 1.00 61.25 C ATOM 1089 O ALA A 77 -16.111 3.894 1.228 1.00 65.41 O ATOM 1090 CB ALA A 77 -16.251 1.247 2.194 1.00 50.21 C ATOM 0 H ALA A 77 -18.430 2.136 0.693 1.00 31.11 H new ATOM 0 HA ALA A 77 -17.591 2.188 3.525 1.00 25.32 H new ATOM 0 HB1 ALA A 77 -15.375 1.495 2.794 1.00 50.21 H new ATOM 0 HB2 ALA A 77 -16.601 0.249 2.458 1.00 50.21 H new ATOM 0 HB3 ALA A 77 -15.985 1.270 1.137 1.00 50.21 H new ATOM 1096 N PRO A 78 -17.437 4.666 2.848 1.00 61.10 N ATOM 1097 CA PRO A 78 -17.126 6.018 2.537 1.00 35.43 C ATOM 1098 C PRO A 78 -15.859 6.497 3.211 1.00 42.41 C ATOM 1099 O PRO A 78 -15.882 7.128 4.271 1.00 74.45 O ATOM 1100 CB PRO A 78 -18.338 6.783 3.037 1.00 32.44 C ATOM 1101 CG PRO A 78 -18.915 5.946 4.146 1.00 5.52 C ATOM 1102 CD PRO A 78 -18.376 4.545 3.978 1.00 74.42 C ATOM 0 HA PRO A 78 -16.934 6.158 1.473 1.00 35.43 H new ATOM 0 HB2 PRO A 78 -18.056 7.772 3.398 1.00 32.44 H new ATOM 0 HB3 PRO A 78 -19.065 6.931 2.239 1.00 32.44 H new ATOM 0 HG2 PRO A 78 -18.636 6.351 5.119 1.00 5.52 H new ATOM 0 HG3 PRO A 78 -20.004 5.947 4.101 1.00 5.52 H new ATOM 0 HD2 PRO A 78 -17.874 4.198 4.881 1.00 74.42 H new ATOM 0 HD3 PRO A 78 -19.172 3.833 3.763 1.00 74.42 H new ATOM 1110 N THR A 79 -14.780 6.231 2.559 1.00 4.52 N ATOM 1111 CA THR A 79 -13.462 6.621 2.952 1.00 73.22 C ATOM 1112 C THR A 79 -12.692 6.758 1.698 1.00 33.45 C ATOM 1113 O THR A 79 -12.931 5.993 0.773 1.00 14.30 O ATOM 1114 CB THR A 79 -12.774 5.541 3.820 1.00 5.55 C ATOM 1115 OG1 THR A 79 -13.028 4.237 3.273 1.00 53.32 O ATOM 1116 CG2 THR A 79 -13.218 5.601 5.257 1.00 30.33 C ATOM 0 H THR A 79 -14.791 5.705 1.685 1.00 4.52 H new ATOM 0 HA THR A 79 -13.508 7.538 3.539 1.00 73.22 H new ATOM 0 HB THR A 79 -11.702 5.739 3.805 1.00 5.55 H new ATOM 0 HG1 THR A 79 -12.588 3.559 3.827 1.00 53.32 H new ATOM 0 HG21 THR A 79 -12.709 4.824 5.828 1.00 30.33 H new ATOM 0 HG22 THR A 79 -12.972 6.578 5.673 1.00 30.33 H new ATOM 0 HG23 THR A 79 -14.295 5.444 5.312 1.00 30.33 H new ATOM 1124 N LEU A 80 -11.801 7.708 1.641 1.00 2.24 N ATOM 1125 CA LEU A 80 -10.982 7.918 0.462 1.00 42.31 C ATOM 1126 C LEU A 80 -10.292 6.640 0.058 1.00 23.41 C ATOM 1127 O LEU A 80 -10.286 6.268 -1.112 1.00 14.31 O ATOM 1128 CB LEU A 80 -9.933 8.886 0.777 1.00 75.22 C ATOM 1129 CG LEU A 80 -10.383 10.275 1.107 1.00 74.44 C ATOM 1130 CD1 LEU A 80 -9.264 10.968 1.751 1.00 12.34 C ATOM 1131 CD2 LEU A 80 -10.770 11.024 -0.146 1.00 64.11 C ATOM 0 H LEU A 80 -11.616 8.361 2.403 1.00 2.24 H new ATOM 0 HA LEU A 80 -11.629 8.268 -0.343 1.00 42.31 H new ATOM 0 HB2 LEU A 80 -9.359 8.504 1.621 1.00 75.22 H new ATOM 0 HB3 LEU A 80 -9.253 8.941 -0.073 1.00 75.22 H new ATOM 0 HG LEU A 80 -11.252 10.231 1.764 1.00 74.44 H new ATOM 0 HD11 LEU A 80 -9.563 11.985 2.004 1.00 12.34 H new ATOM 0 HD12 LEU A 80 -8.981 10.437 2.660 1.00 12.34 H new ATOM 0 HD13 LEU A 80 -8.414 10.998 1.069 1.00 12.34 H new ATOM 0 HD21 LEU A 80 -11.094 12.031 0.117 1.00 64.11 H new ATOM 0 HD22 LEU A 80 -9.911 11.082 -0.815 1.00 64.11 H new ATOM 0 HD23 LEU A 80 -11.585 10.500 -0.646 1.00 64.11 H new ATOM 1143 N ALA A 81 -9.726 5.975 1.068 1.00 13.21 N ATOM 1144 CA ALA A 81 -9.023 4.701 0.913 1.00 32.12 C ATOM 1145 C ALA A 81 -9.829 3.701 0.112 1.00 40.32 C ATOM 1146 O ALA A 81 -9.292 3.066 -0.764 1.00 21.33 O ATOM 1147 CB ALA A 81 -8.658 4.100 2.263 1.00 4.53 C ATOM 0 H ALA A 81 -9.744 6.312 2.030 1.00 13.21 H new ATOM 0 HA ALA A 81 -8.107 4.920 0.364 1.00 32.12 H new ATOM 0 HB1 ALA A 81 -8.137 3.155 2.112 1.00 4.53 H new ATOM 0 HB2 ALA A 81 -8.010 4.789 2.805 1.00 4.53 H new ATOM 0 HB3 ALA A 81 -9.566 3.926 2.841 1.00 4.53 H new ATOM 1153 N ALA A 82 -11.125 3.591 0.387 1.00 23.35 N ATOM 1154 CA ALA A 82 -11.963 2.647 -0.339 1.00 34.25 C ATOM 1155 C ALA A 82 -12.031 3.006 -1.804 1.00 54.33 C ATOM 1156 O ALA A 82 -11.706 2.186 -2.642 1.00 13.41 O ATOM 1157 CB ALA A 82 -13.357 2.572 0.238 1.00 64.31 C ATOM 0 H ALA A 82 -11.612 4.137 1.098 1.00 23.35 H new ATOM 0 HA ALA A 82 -11.502 1.665 -0.234 1.00 34.25 H new ATOM 0 HB1 ALA A 82 -13.949 1.857 -0.333 1.00 64.31 H new ATOM 0 HB2 ALA A 82 -13.303 2.251 1.278 1.00 64.31 H new ATOM 0 HB3 ALA A 82 -13.826 3.555 0.186 1.00 64.31 H new ATOM 1163 N TRP A 83 -12.370 4.266 -2.097 1.00 21.23 N ATOM 1164 CA TRP A 83 -12.541 4.734 -3.488 1.00 12.25 C ATOM 1165 C TRP A 83 -11.217 4.548 -4.236 1.00 55.14 C ATOM 1166 O TRP A 83 -11.177 4.194 -5.412 1.00 5.42 O ATOM 1167 CB TRP A 83 -12.919 6.244 -3.569 1.00 1.30 C ATOM 1168 CG TRP A 83 -14.058 6.747 -2.726 1.00 54.12 C ATOM 1169 CD1 TRP A 83 -14.537 6.249 -1.564 1.00 2.13 C ATOM 1170 CD2 TRP A 83 -14.831 7.906 -3.003 1.00 34.14 C ATOM 1171 NE1 TRP A 83 -15.594 6.992 -1.129 1.00 11.13 N ATOM 1172 CE2 TRP A 83 -15.791 8.019 -1.997 1.00 2.11 C ATOM 1173 CE3 TRP A 83 -14.814 8.852 -4.024 1.00 33.52 C ATOM 1174 CZ2 TRP A 83 -16.720 9.038 -1.983 1.00 62.24 C ATOM 1175 CZ3 TRP A 83 -15.726 9.856 -4.006 1.00 75.10 C ATOM 1176 CH2 TRP A 83 -16.665 9.947 -3.002 1.00 71.54 C ATOM 0 H TRP A 83 -12.533 4.985 -1.392 1.00 21.23 H new ATOM 0 HA TRP A 83 -13.350 4.152 -3.928 1.00 12.25 H new ATOM 0 HB2 TRP A 83 -12.033 6.822 -3.307 1.00 1.30 H new ATOM 0 HB3 TRP A 83 -13.151 6.472 -4.609 1.00 1.30 H new ATOM 0 HD1 TRP A 83 -14.139 5.385 -1.053 1.00 2.13 H new ATOM 0 HE1 TRP A 83 -16.146 6.808 -0.291 1.00 11.13 H new ATOM 0 HE3 TRP A 83 -14.086 8.788 -4.819 1.00 33.52 H new ATOM 0 HZ2 TRP A 83 -17.460 9.114 -1.200 1.00 62.24 H new ATOM 0 HZ3 TRP A 83 -15.716 10.597 -4.792 1.00 75.10 H new ATOM 0 HH2 TRP A 83 -17.377 10.759 -3.021 1.00 71.54 H new ATOM 1187 N ASN A 84 -10.146 4.778 -3.511 1.00 42.21 N ATOM 1188 CA ASN A 84 -8.799 4.670 -4.020 1.00 73.31 C ATOM 1189 C ASN A 84 -8.406 3.215 -4.261 1.00 11.33 C ATOM 1190 O ASN A 84 -7.961 2.851 -5.344 1.00 21.42 O ATOM 1191 CB ASN A 84 -7.825 5.318 -3.032 1.00 30.34 C ATOM 1192 CG ASN A 84 -6.392 5.243 -3.488 1.00 75.44 C ATOM 1193 OD1 ASN A 84 -5.931 6.096 -4.211 1.00 71.11 O ATOM 1194 ND2 ASN A 84 -5.668 4.259 -3.030 1.00 40.32 N ATOM 0 H ASN A 84 -10.189 5.051 -2.529 1.00 42.21 H new ATOM 0 HA ASN A 84 -8.754 5.189 -4.977 1.00 73.31 H new ATOM 0 HB2 ASN A 84 -8.101 6.363 -2.889 1.00 30.34 H new ATOM 0 HB3 ASN A 84 -7.919 4.828 -2.063 1.00 30.34 H new ATOM 0 HD21 ASN A 84 -4.681 4.193 -3.280 1.00 40.32 H new ATOM 0 HD22 ASN A 84 -6.089 3.556 -2.422 1.00 40.32 H new ATOM 1201 N GLN A 85 -8.597 2.372 -3.261 1.00 0.21 N ATOM 1202 CA GLN A 85 -8.187 0.983 -3.357 1.00 43.53 C ATOM 1203 C GLN A 85 -9.061 0.197 -4.305 1.00 73.22 C ATOM 1204 O GLN A 85 -8.652 -0.845 -4.782 1.00 14.02 O ATOM 1205 CB GLN A 85 -8.072 0.302 -1.985 1.00 44.11 C ATOM 1206 CG GLN A 85 -7.061 0.981 -1.059 1.00 24.44 C ATOM 1207 CD GLN A 85 -5.643 1.045 -1.624 1.00 50.30 C ATOM 1208 OE1 GLN A 85 -4.916 1.996 -1.366 1.00 31.13 O ATOM 1209 NE2 GLN A 85 -5.226 0.029 -2.351 1.00 4.25 N ATOM 0 H GLN A 85 -9.033 2.625 -2.374 1.00 0.21 H new ATOM 0 HA GLN A 85 -7.183 0.992 -3.780 1.00 43.53 H new ATOM 0 HB2 GLN A 85 -9.050 0.299 -1.505 1.00 44.11 H new ATOM 0 HB3 GLN A 85 -7.783 -0.740 -2.126 1.00 44.11 H new ATOM 0 HG2 GLN A 85 -7.402 1.994 -0.847 1.00 24.44 H new ATOM 0 HG3 GLN A 85 -7.038 0.447 -0.109 1.00 24.44 H new ATOM 0 HE21 GLN A 85 -5.855 -0.749 -2.549 1.00 4.25 H new ATOM 0 HE22 GLN A 85 -4.274 0.020 -2.716 1.00 4.25 H new ATOM 1218 N LEU A 86 -10.252 0.712 -4.604 1.00 11.44 N ATOM 1219 CA LEU A 86 -11.115 0.111 -5.611 1.00 23.34 C ATOM 1220 C LEU A 86 -10.448 0.154 -6.999 1.00 34.24 C ATOM 1221 O LEU A 86 -10.821 -0.593 -7.903 1.00 63.53 O ATOM 1222 CB LEU A 86 -12.503 0.757 -5.619 1.00 74.50 C ATOM 1223 CG LEU A 86 -13.360 0.471 -4.368 1.00 11.14 C ATOM 1224 CD1 LEU A 86 -14.636 1.255 -4.399 1.00 23.20 C ATOM 1225 CD2 LEU A 86 -13.678 -1.012 -4.240 1.00 61.15 C ATOM 0 H LEU A 86 -10.639 1.545 -4.161 1.00 11.44 H new ATOM 0 HA LEU A 86 -11.260 -0.937 -5.350 1.00 23.34 H new ATOM 0 HB2 LEU A 86 -12.385 1.836 -5.722 1.00 74.50 H new ATOM 0 HB3 LEU A 86 -13.044 0.410 -6.499 1.00 74.50 H new ATOM 0 HG LEU A 86 -12.774 0.779 -3.502 1.00 11.14 H new ATOM 0 HD11 LEU A 86 -15.220 1.034 -3.506 1.00 23.20 H new ATOM 0 HD12 LEU A 86 -14.408 2.320 -4.429 1.00 23.20 H new ATOM 0 HD13 LEU A 86 -15.210 0.982 -5.285 1.00 23.20 H new ATOM 0 HD21 LEU A 86 -14.283 -1.179 -3.349 1.00 61.15 H new ATOM 0 HD22 LEU A 86 -14.230 -1.343 -5.120 1.00 61.15 H new ATOM 0 HD23 LEU A 86 -12.750 -1.578 -4.160 1.00 61.15 H new ATOM 1237 N MET A 87 -9.445 1.036 -7.152 1.00 0.32 N ATOM 1238 CA MET A 87 -8.639 1.079 -8.365 1.00 73.23 C ATOM 1239 C MET A 87 -7.633 -0.084 -8.327 1.00 43.11 C ATOM 1240 O MET A 87 -7.718 -1.017 -9.131 1.00 53.13 O ATOM 1241 CB MET A 87 -7.854 2.420 -8.494 1.00 72.45 C ATOM 1242 CG MET A 87 -8.699 3.691 -8.628 1.00 42.33 C ATOM 1243 SD MET A 87 -7.678 5.197 -8.793 1.00 33.43 S ATOM 1244 CE MET A 87 -8.932 6.458 -9.074 1.00 5.14 C ATOM 0 H MET A 87 -9.180 1.724 -6.447 1.00 0.32 H new ATOM 0 HA MET A 87 -9.308 0.997 -9.222 1.00 73.23 H new ATOM 0 HB2 MET A 87 -7.212 2.526 -7.619 1.00 72.45 H new ATOM 0 HB3 MET A 87 -7.199 2.351 -9.363 1.00 72.45 H new ATOM 0 HG2 MET A 87 -9.350 3.600 -9.498 1.00 42.33 H new ATOM 0 HG3 MET A 87 -9.345 3.788 -7.755 1.00 42.33 H new ATOM 0 HE1 MET A 87 -8.459 7.364 -9.453 1.00 5.14 H new ATOM 0 HE2 MET A 87 -9.656 6.095 -9.803 1.00 5.14 H new ATOM 0 HE3 MET A 87 -9.442 6.680 -8.136 1.00 5.14 H new ATOM 1254 N LEU A 88 -6.758 -0.060 -7.309 1.00 44.24 N ATOM 1255 CA LEU A 88 -5.662 -1.050 -7.144 1.00 1.41 C ATOM 1256 C LEU A 88 -6.155 -2.490 -6.937 1.00 43.41 C ATOM 1257 O LEU A 88 -5.487 -3.439 -7.323 1.00 53.34 O ATOM 1258 CB LEU A 88 -4.715 -0.696 -5.959 1.00 51.52 C ATOM 1259 CG LEU A 88 -3.947 0.642 -5.990 1.00 53.14 C ATOM 1260 CD1 LEU A 88 -3.289 0.879 -7.327 1.00 34.12 C ATOM 1261 CD2 LEU A 88 -4.817 1.814 -5.567 1.00 13.53 C ATOM 0 H LEU A 88 -6.784 0.644 -6.572 1.00 44.24 H new ATOM 0 HA LEU A 88 -5.120 -0.997 -8.088 1.00 1.41 H new ATOM 0 HB2 LEU A 88 -5.310 -0.713 -5.046 1.00 51.52 H new ATOM 0 HB3 LEU A 88 -3.979 -1.496 -5.875 1.00 51.52 H new ATOM 0 HG LEU A 88 -3.150 0.565 -5.251 1.00 53.14 H new ATOM 0 HD11 LEU A 88 -2.759 1.831 -7.308 1.00 34.12 H new ATOM 0 HD12 LEU A 88 -2.583 0.074 -7.533 1.00 34.12 H new ATOM 0 HD13 LEU A 88 -4.049 0.903 -8.108 1.00 34.12 H new ATOM 0 HD21 LEU A 88 -4.233 2.733 -5.605 1.00 13.53 H new ATOM 0 HD22 LEU A 88 -5.669 1.897 -6.242 1.00 13.53 H new ATOM 0 HD23 LEU A 88 -5.175 1.653 -4.550 1.00 13.53 H new ATOM 1273 N SER A 89 -7.299 -2.654 -6.319 1.00 44.22 N ATOM 1274 CA SER A 89 -7.801 -3.984 -6.003 1.00 22.43 C ATOM 1275 C SER A 89 -8.452 -4.652 -7.215 1.00 24.33 C ATOM 1276 O SER A 89 -8.844 -5.816 -7.148 1.00 63.01 O ATOM 1277 CB SER A 89 -8.786 -3.921 -4.813 1.00 43.00 C ATOM 1278 OG SER A 89 -9.242 -5.207 -4.427 1.00 23.53 O ATOM 0 H SER A 89 -7.905 -1.889 -6.022 1.00 44.22 H new ATOM 0 HA SER A 89 -6.947 -4.599 -5.718 1.00 22.43 H new ATOM 0 HB2 SER A 89 -8.298 -3.441 -3.965 1.00 43.00 H new ATOM 0 HB3 SER A 89 -9.640 -3.300 -5.083 1.00 43.00 H new ATOM 0 HG SER A 89 -9.221 -5.808 -5.201 1.00 23.53 H new ATOM 1284 N ARG A 90 -8.577 -3.930 -8.307 1.00 71.13 N ATOM 1285 CA ARG A 90 -9.198 -4.489 -9.491 1.00 30.41 C ATOM 1286 C ARG A 90 -8.224 -4.589 -10.633 1.00 51.22 C ATOM 1287 O ARG A 90 -8.548 -5.096 -11.705 1.00 44.25 O ATOM 1288 CB ARG A 90 -10.456 -3.715 -9.834 1.00 45.52 C ATOM 1289 CG ARG A 90 -11.489 -3.930 -8.759 1.00 11.11 C ATOM 1290 CD ARG A 90 -12.750 -3.161 -8.961 1.00 11.31 C ATOM 1291 NE ARG A 90 -13.706 -3.549 -7.925 1.00 75.24 N ATOM 1292 CZ ARG A 90 -14.777 -2.863 -7.521 1.00 24.25 C ATOM 1293 NH1 ARG A 90 -15.031 -1.637 -7.975 1.00 14.10 N1+ ATOM 1294 NH2 ARG A 90 -15.567 -3.402 -6.618 1.00 71.24 N ATOM 0 H ARG A 90 -8.261 -2.965 -8.402 1.00 71.13 H new ATOM 0 HA ARG A 90 -9.503 -5.515 -9.283 1.00 30.41 H new ATOM 0 HB2 ARG A 90 -10.228 -2.653 -9.927 1.00 45.52 H new ATOM 0 HB3 ARG A 90 -10.846 -4.043 -10.798 1.00 45.52 H new ATOM 0 HG2 ARG A 90 -11.729 -4.992 -8.708 1.00 11.11 H new ATOM 0 HG3 ARG A 90 -11.058 -3.654 -7.796 1.00 11.11 H new ATOM 0 HD2 ARG A 90 -12.552 -2.090 -8.911 1.00 11.31 H new ATOM 0 HD3 ARG A 90 -13.162 -3.363 -9.950 1.00 11.31 H new ATOM 0 HE ARG A 90 -13.536 -4.441 -7.461 1.00 75.24 H new ATOM 0 HH11 ARG A 90 -14.400 -1.201 -8.647 1.00 14.10 H new ATOM 0 HH12 ARG A 90 -15.857 -1.134 -7.650 1.00 14.10 H new ATOM 0 HH21 ARG A 90 -15.355 -4.326 -6.241 1.00 71.24 H new ATOM 0 HH22 ARG A 90 -16.391 -2.896 -6.294 1.00 71.24 H new ATOM 1308 N SER A 91 -7.027 -4.137 -10.356 1.00 21.41 N ATOM 1309 CA SER A 91 -5.904 -4.158 -11.245 1.00 42.34 C ATOM 1310 C SER A 91 -4.754 -3.527 -10.492 1.00 5.53 C ATOM 1311 O SER A 91 -4.886 -2.391 -10.042 1.00 45.23 O ATOM 1312 CB SER A 91 -6.213 -3.364 -12.527 1.00 3.52 C ATOM 1313 OG SER A 91 -6.717 -2.084 -12.211 1.00 14.04 O ATOM 0 H SER A 91 -6.803 -3.722 -9.452 1.00 21.41 H new ATOM 0 HA SER A 91 -5.663 -5.176 -11.552 1.00 42.34 H new ATOM 0 HB2 SER A 91 -5.308 -3.266 -13.127 1.00 3.52 H new ATOM 0 HB3 SER A 91 -6.939 -3.907 -13.131 1.00 3.52 H new ATOM 0 HG SER A 91 -6.242 -1.729 -11.431 1.00 14.04 H new ATOM 1319 N PRO A 92 -3.658 -4.256 -10.245 1.00 72.03 N ATOM 1320 CA PRO A 92 -2.523 -3.684 -9.541 1.00 22.20 C ATOM 1321 C PRO A 92 -1.867 -2.601 -10.380 1.00 63.24 C ATOM 1322 O PRO A 92 -1.365 -2.873 -11.479 1.00 54.10 O ATOM 1323 CB PRO A 92 -1.562 -4.873 -9.352 1.00 15.32 C ATOM 1324 CG PRO A 92 -2.373 -6.089 -9.649 1.00 21.55 C ATOM 1325 CD PRO A 92 -3.437 -5.657 -10.613 1.00 11.11 C ATOM 0 HA PRO A 92 -2.806 -3.217 -8.598 1.00 22.20 H new ATOM 0 HB2 PRO A 92 -0.707 -4.797 -10.024 1.00 15.32 H new ATOM 0 HB3 PRO A 92 -1.168 -4.902 -8.336 1.00 15.32 H new ATOM 0 HG2 PRO A 92 -1.753 -6.875 -10.080 1.00 21.55 H new ATOM 0 HG3 PRO A 92 -2.814 -6.495 -8.739 1.00 21.55 H new ATOM 0 HD2 PRO A 92 -3.110 -5.757 -11.648 1.00 11.11 H new ATOM 0 HD3 PRO A 92 -4.345 -6.251 -10.507 1.00 11.11 H new ATOM 1333 N GLU A 93 -1.886 -1.397 -9.867 1.00 51.32 N ATOM 1334 CA GLU A 93 -1.312 -0.271 -10.542 1.00 2.31 C ATOM 1335 C GLU A 93 -0.467 0.487 -9.523 1.00 65.32 C ATOM 1336 O GLU A 93 -0.721 1.709 -9.290 1.00 41.01 O ATOM 1337 CB GLU A 93 -2.417 0.666 -11.037 1.00 51.21 C ATOM 1338 CG GLU A 93 -3.553 0.038 -11.816 1.00 10.11 C ATOM 1339 CD GLU A 93 -4.656 1.036 -12.088 1.00 33.24 C ATOM 1340 OE1 GLU A 93 -4.745 1.572 -13.221 1.00 3.02 O ATOM 1341 OE2 GLU A 93 -5.476 1.298 -11.182 1.00 14.51 O1- ATOM 1342 OXT GLU A 93 0.366 -0.165 -8.848 1.00 38.09 O1- ATOM 0 H GLU A 93 -2.304 -1.174 -8.964 1.00 51.32 H new ATOM 0 HA GLU A 93 -0.719 -0.608 -11.393 1.00 2.31 H new ATOM 0 HB2 GLU A 93 -2.841 1.176 -10.172 1.00 51.21 H new ATOM 0 HB3 GLU A 93 -1.958 1.430 -11.664 1.00 51.21 H new ATOM 0 HG2 GLU A 93 -3.175 -0.355 -12.760 1.00 10.11 H new ATOM 0 HG3 GLU A 93 -3.955 -0.807 -11.257 1.00 10.11 H new TER 1349 GLU A 93