USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=14 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 17 HIS : no HE2:sc= 0.737 K(o=0.55,f=-3.3!) USER MOD Set 1.2: A 91 SER OG : rot -140:sc= -0.188 USER MOD Set 2.1: A 52 SER OG : rot -109:sc= 0.0292 USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= -0.331 USER MOD Set 3.1: A 64 LYS NZ :NH3+ -154:sc= 2.17 (180deg=0.632) USER MOD Set 3.2: A 65 ASN : amide:sc= 0.364 K(o=3.6,f=-12!) USER MOD Set 3.3: A 67 TYR OH : rot -91:sc= 1.08 USER MOD Set 4.1: A 44 ASN : amide:sc= -0.172 K(o=-1.1,f=-8.9!) USER MOD Set 4.2: A 47 GLN : amide:sc= -0.892 X(o=-1.1,f=-1.1) USER MOD Set 5.1: A 35 THR OG1 : rot -75:sc= -0.166 USER MOD Set 5.2: A 38 GLN : amide:sc= -0.468 K(o=-0.63,f=-2.6!) USER MOD Set 6.1: A 15 ASN : amide:sc= -0.432! C(o=3.2!,f=-0.63!) USER MOD Set 6.2: A 22 GLN : amide:sc= 1.32 K(o=3.2,f=-5.7!) USER MOD Set 6.3: A 84 ASN : amide:sc= 1.3 K(o=3.2,f=-6.8) USER MOD Set 6.4: A 85 GLN : amide:sc= 1 K(o=3.2,f=-9.1) USER MOD Single : A 21 TYR OH : rot 105:sc= -0.0519 USER MOD Single : A 23 GLN : amide:sc= 0.381 X(o=0.38,f=-0.037) USER MOD Single : A 30 GLN : amide:sc= 1.01 K(o=1,f=-0.51) USER MOD Single : A 33 ASN : amide:sc= -0.935 K(o=-0.94,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.817 K(o=-0.82,f=0) USER MOD Single : A 40 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-7.8!) USER MOD Single : A 43 SER OG : rot 15:sc= 1.44 USER MOD Single : A 56 MET CE :methyl -153:sc= -0.211 (180deg=-1.14) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.795 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -166:sc= -1.75 (180deg=-2.48) USER MOD Single : A 89 SER OG : rot 49:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 4.390 0.351 -5.402 1.00 41.05 N ATOM 2 CA ASP A 14 3.131 -0.172 -5.909 1.00 24.15 C ATOM 3 C ASP A 14 2.045 0.815 -5.665 1.00 12.01 C ATOM 4 O ASP A 14 2.354 1.930 -5.235 1.00 0.33 O ATOM 5 CB ASP A 14 2.870 -1.524 -5.300 1.00 35.13 C ATOM 6 CG ASP A 14 3.928 -2.458 -5.768 1.00 2.54 C ATOM 7 OD1 ASP A 14 5.091 -2.241 -5.358 1.00 1.32 O ATOM 8 OD2 ASP A 14 3.646 -3.324 -6.613 1.00 1.54 O1- ATOM 0 HA ASP A 14 3.175 -0.319 -6.988 1.00 24.15 H new ATOM 0 HB2 ASP A 14 2.876 -1.458 -4.212 1.00 35.13 H new ATOM 0 HB3 ASP A 14 1.885 -1.888 -5.592 1.00 35.13 H new ATOM 13 N ASN A 15 0.810 0.413 -5.927 1.00 23.13 N ATOM 14 CA ASN A 15 -0.390 1.273 -5.910 1.00 20.51 C ATOM 15 C ASN A 15 -0.330 2.165 -7.136 1.00 51.42 C ATOM 16 O ASN A 15 0.160 3.291 -7.100 1.00 32.34 O ATOM 17 CB ASN A 15 -0.575 2.059 -4.590 1.00 54.35 C ATOM 18 CG ASN A 15 -1.928 2.747 -4.487 1.00 0.22 C ATOM 19 OD1 ASN A 15 -2.091 3.915 -4.844 1.00 31.13 O ATOM 20 ND2 ASN A 15 -2.908 2.022 -4.021 1.00 13.43 N ATOM 0 H ASN A 15 0.596 -0.555 -6.167 1.00 23.13 H new ATOM 0 HA ASN A 15 -1.282 0.648 -5.951 1.00 20.51 H new ATOM 0 HB2 ASN A 15 -0.457 1.376 -3.749 1.00 54.35 H new ATOM 0 HB3 ASN A 15 0.213 2.807 -4.507 1.00 54.35 H new ATOM 0 HD21 ASN A 15 -3.844 2.419 -3.943 1.00 13.43 H new ATOM 0 HD22 ASN A 15 -2.738 1.058 -3.734 1.00 13.43 H new ATOM 27 N ARG A 16 -0.730 1.592 -8.267 1.00 63.34 N ATOM 28 CA ARG A 16 -0.522 2.254 -9.561 1.00 61.33 C ATOM 29 C ARG A 16 -1.627 3.236 -9.957 1.00 20.32 C ATOM 30 O ARG A 16 -1.424 4.442 -9.949 1.00 43.24 O ATOM 31 CB ARG A 16 -0.278 1.248 -10.716 1.00 32.31 C ATOM 32 CG ARG A 16 0.793 0.205 -10.430 1.00 3.11 C ATOM 33 CD ARG A 16 0.162 -1.085 -9.939 1.00 12.30 C ATOM 34 NE ARG A 16 1.130 -1.992 -9.289 1.00 62.11 N ATOM 35 CZ ARG A 16 2.011 -2.799 -9.873 1.00 52.52 C ATOM 36 NH1 ARG A 16 2.032 -2.924 -11.209 1.00 51.41 N1+ ATOM 37 NH2 ARG A 16 2.860 -3.506 -9.123 1.00 71.32 N ATOM 0 H ARG A 16 -1.193 0.685 -8.320 1.00 63.34 H new ATOM 0 HA ARG A 16 0.383 2.841 -9.404 1.00 61.33 H new ATOM 0 HB2 ARG A 16 -1.214 0.737 -10.939 1.00 32.31 H new ATOM 0 HB3 ARG A 16 0.003 1.803 -11.611 1.00 32.31 H new ATOM 0 HG2 ARG A 16 1.372 0.013 -11.333 1.00 3.11 H new ATOM 0 HG3 ARG A 16 1.488 0.585 -9.681 1.00 3.11 H new ATOM 0 HD2 ARG A 16 -0.635 -0.848 -9.234 1.00 12.30 H new ATOM 0 HD3 ARG A 16 -0.301 -1.600 -10.781 1.00 12.30 H new ATOM 0 HE ARG A 16 1.122 -2.000 -8.269 1.00 62.11 H new ATOM 0 HH11 ARG A 16 1.370 -2.399 -11.781 1.00 51.41 H new ATOM 0 HH12 ARG A 16 2.710 -3.544 -11.653 1.00 51.41 H new ATOM 0 HH21 ARG A 16 2.831 -3.426 -8.107 1.00 71.32 H new ATOM 0 HH22 ARG A 16 3.537 -4.126 -9.567 1.00 71.32 H new ATOM 51 N HIS A 17 -2.792 2.697 -10.295 1.00 74.02 N ATOM 52 CA HIS A 17 -3.939 3.470 -10.839 1.00 20.42 C ATOM 53 C HIS A 17 -4.335 4.639 -9.948 1.00 33.42 C ATOM 54 O HIS A 17 -4.659 5.732 -10.419 1.00 22.32 O ATOM 55 CB HIS A 17 -5.158 2.551 -11.027 1.00 52.11 C ATOM 56 CG HIS A 17 -4.958 1.421 -11.998 1.00 55.10 C ATOM 57 ND1 HIS A 17 -5.682 0.246 -11.972 1.00 1.20 N ATOM 58 CD2 HIS A 17 -4.094 1.300 -13.036 1.00 32.04 C ATOM 59 CE1 HIS A 17 -5.242 -0.531 -12.967 1.00 32.34 C ATOM 60 NE2 HIS A 17 -4.276 0.067 -13.642 1.00 63.33 N ATOM 0 H HIS A 17 -2.985 1.700 -10.204 1.00 74.02 H new ATOM 0 HA HIS A 17 -3.614 3.874 -11.798 1.00 20.42 H new ATOM 0 HB2 HIS A 17 -5.432 2.133 -10.058 1.00 52.11 H new ATOM 0 HB3 HIS A 17 -6.001 3.155 -11.364 1.00 52.11 H new ATOM 0 HD1 HIS A 17 -6.422 0.012 -11.310 1.00 1.20 H new ATOM 0 HD2 HIS A 17 -3.377 2.047 -13.342 1.00 32.04 H new ATOM 0 HE1 HIS A 17 -5.625 -1.516 -13.189 1.00 32.34 H new ATOM 68 N ALA A 18 -4.243 4.411 -8.674 1.00 14.01 N ATOM 69 CA ALA A 18 -4.641 5.356 -7.667 1.00 44.44 C ATOM 70 C ALA A 18 -3.796 6.634 -7.648 1.00 63.05 C ATOM 71 O ALA A 18 -4.142 7.592 -6.977 1.00 20.21 O ATOM 72 CB ALA A 18 -4.781 4.707 -6.328 1.00 54.30 C ATOM 0 H ALA A 18 -3.879 3.538 -8.291 1.00 14.01 H new ATOM 0 HA ALA A 18 -5.635 5.705 -7.948 1.00 44.44 H new ATOM 0 HB1 ALA A 18 -5.083 5.452 -5.592 1.00 54.30 H new ATOM 0 HB2 ALA A 18 -5.536 3.923 -6.381 1.00 54.30 H new ATOM 0 HB3 ALA A 18 -3.826 4.272 -6.033 1.00 54.30 H new ATOM 78 N ALA A 19 -2.644 6.620 -8.307 1.00 51.24 N ATOM 79 CA ALA A 19 -1.831 7.834 -8.451 1.00 61.14 C ATOM 80 C ALA A 19 -2.655 8.977 -9.088 1.00 63.25 C ATOM 81 O ALA A 19 -2.474 10.143 -8.744 1.00 5.13 O ATOM 82 CB ALA A 19 -0.580 7.554 -9.269 1.00 53.24 C ATOM 0 H ALA A 19 -2.249 5.790 -8.750 1.00 51.24 H new ATOM 0 HA ALA A 19 -1.522 8.152 -7.455 1.00 61.14 H new ATOM 0 HB1 ALA A 19 0.006 8.468 -9.362 1.00 53.24 H new ATOM 0 HB2 ALA A 19 0.017 6.790 -8.771 1.00 53.24 H new ATOM 0 HB3 ALA A 19 -0.865 7.203 -10.261 1.00 53.24 H new ATOM 88 N ASP A 20 -3.593 8.621 -9.977 1.00 71.35 N ATOM 89 CA ASP A 20 -4.490 9.616 -10.610 1.00 33.33 C ATOM 90 C ASP A 20 -5.452 10.137 -9.561 1.00 63.44 C ATOM 91 O ASP A 20 -5.735 11.327 -9.486 1.00 10.10 O ATOM 92 CB ASP A 20 -5.284 8.979 -11.755 1.00 24.33 C ATOM 93 CG ASP A 20 -6.197 9.958 -12.509 1.00 2.12 C ATOM 94 OD1 ASP A 20 -7.414 9.986 -12.245 1.00 51.05 O ATOM 95 OD2 ASP A 20 -5.724 10.670 -13.422 1.00 62.13 O1- ATOM 0 H ASP A 20 -3.755 7.660 -10.277 1.00 71.35 H new ATOM 0 HA ASP A 20 -3.890 10.430 -11.017 1.00 33.33 H new ATOM 0 HB2 ASP A 20 -4.585 8.533 -12.463 1.00 24.33 H new ATOM 0 HB3 ASP A 20 -5.892 8.168 -11.354 1.00 24.33 H new ATOM 100 N TYR A 21 -5.864 9.226 -8.679 1.00 52.03 N ATOM 101 CA TYR A 21 -6.780 9.511 -7.573 1.00 21.03 C ATOM 102 C TYR A 21 -6.205 10.570 -6.643 1.00 24.32 C ATOM 103 O TYR A 21 -6.939 11.243 -5.943 1.00 21.22 O ATOM 104 CB TYR A 21 -7.096 8.223 -6.774 1.00 52.21 C ATOM 105 CG TYR A 21 -8.021 8.419 -5.584 1.00 43.53 C ATOM 106 CD1 TYR A 21 -9.385 8.373 -5.741 1.00 41.42 C ATOM 107 CD2 TYR A 21 -7.518 8.656 -4.306 1.00 72.33 C ATOM 108 CE1 TYR A 21 -10.228 8.556 -4.672 1.00 51.51 C ATOM 109 CE2 TYR A 21 -8.355 8.839 -3.233 1.00 14.32 C ATOM 110 CZ TYR A 21 -9.707 8.787 -3.417 1.00 22.21 C ATOM 111 OH TYR A 21 -10.546 8.981 -2.345 1.00 45.22 O ATOM 0 H TYR A 21 -5.565 8.251 -8.713 1.00 52.03 H new ATOM 0 HA TYR A 21 -7.705 9.894 -8.003 1.00 21.03 H new ATOM 0 HB2 TYR A 21 -7.546 7.495 -7.449 1.00 52.21 H new ATOM 0 HB3 TYR A 21 -6.159 7.793 -6.420 1.00 52.21 H new ATOM 0 HD1 TYR A 21 -9.801 8.190 -6.721 1.00 41.42 H new ATOM 0 HD2 TYR A 21 -6.449 8.697 -4.157 1.00 72.33 H new ATOM 0 HE1 TYR A 21 -11.298 8.519 -4.815 1.00 51.51 H new ATOM 0 HE2 TYR A 21 -7.947 9.023 -2.250 1.00 14.32 H new ATOM 0 HH TYR A 21 -10.553 8.177 -1.785 1.00 45.22 H new ATOM 121 N GLN A 22 -4.899 10.737 -6.647 1.00 43.43 N ATOM 122 CA GLN A 22 -4.282 11.722 -5.780 1.00 35.21 C ATOM 123 C GLN A 22 -4.655 13.134 -6.228 1.00 4.21 C ATOM 124 O GLN A 22 -4.665 14.070 -5.433 1.00 63.21 O ATOM 125 CB GLN A 22 -2.770 11.515 -5.668 1.00 35.22 C ATOM 126 CG GLN A 22 -2.406 10.073 -5.313 1.00 12.40 C ATOM 127 CD GLN A 22 -3.173 9.527 -4.110 1.00 75.43 C ATOM 128 OE1 GLN A 22 -3.517 10.252 -3.167 1.00 72.12 O ATOM 129 NE2 GLN A 22 -3.509 8.272 -4.176 1.00 42.12 N ATOM 0 H GLN A 22 -4.250 10.211 -7.233 1.00 43.43 H new ATOM 0 HA GLN A 22 -4.674 11.587 -4.772 1.00 35.21 H new ATOM 0 HB2 GLN A 22 -2.298 11.784 -6.613 1.00 35.22 H new ATOM 0 HB3 GLN A 22 -2.369 12.186 -4.908 1.00 35.22 H new ATOM 0 HG2 GLN A 22 -2.599 9.436 -6.176 1.00 12.40 H new ATOM 0 HG3 GLN A 22 -1.337 10.017 -5.108 1.00 12.40 H new ATOM 0 HE21 GLN A 22 -3.208 7.704 -4.968 1.00 42.12 H new ATOM 0 HE22 GLN A 22 -4.074 7.856 -3.436 1.00 42.12 H new ATOM 138 N GLN A 23 -5.031 13.262 -7.492 1.00 10.54 N ATOM 139 CA GLN A 23 -5.555 14.511 -8.005 1.00 35.32 C ATOM 140 C GLN A 23 -6.977 14.712 -7.449 1.00 24.24 C ATOM 141 O GLN A 23 -7.387 15.830 -7.142 1.00 33.04 O ATOM 142 CB GLN A 23 -5.552 14.517 -9.544 1.00 73.23 C ATOM 143 CG GLN A 23 -6.120 15.784 -10.185 1.00 21.53 C ATOM 144 CD GLN A 23 -5.348 17.041 -9.824 1.00 21.14 C ATOM 145 OE1 GLN A 23 -4.410 17.417 -10.503 1.00 34.45 O ATOM 146 NE2 GLN A 23 -5.746 17.693 -8.760 1.00 11.14 N ATOM 0 H GLN A 23 -4.981 12.511 -8.180 1.00 10.54 H new ATOM 0 HA GLN A 23 -4.920 15.336 -7.682 1.00 35.32 H new ATOM 0 HB2 GLN A 23 -4.528 14.380 -9.891 1.00 73.23 H new ATOM 0 HB3 GLN A 23 -6.126 13.660 -9.897 1.00 73.23 H new ATOM 0 HG2 GLN A 23 -6.120 15.665 -11.269 1.00 21.53 H new ATOM 0 HG3 GLN A 23 -7.159 15.904 -9.877 1.00 21.53 H new ATOM 0 HE21 GLN A 23 -6.536 17.347 -8.216 1.00 11.14 H new ATOM 0 HE22 GLN A 23 -5.266 18.547 -8.476 1.00 11.14 H new ATOM 155 N LEU A 24 -7.709 13.610 -7.289 1.00 24.44 N ATOM 156 CA LEU A 24 -9.042 13.642 -6.678 1.00 62.13 C ATOM 157 C LEU A 24 -8.888 13.943 -5.188 1.00 72.33 C ATOM 158 O LEU A 24 -9.710 14.630 -4.598 1.00 70.25 O ATOM 159 CB LEU A 24 -9.843 12.295 -6.965 1.00 3.33 C ATOM 160 CG LEU A 24 -11.260 12.110 -6.362 1.00 42.21 C ATOM 161 CD1 LEU A 24 -11.951 10.958 -7.055 1.00 22.21 C ATOM 162 CD2 LEU A 24 -11.216 11.806 -4.872 1.00 30.14 C ATOM 0 H LEU A 24 -7.402 12.680 -7.574 1.00 24.44 H new ATOM 0 HA LEU A 24 -9.641 14.435 -7.126 1.00 62.13 H new ATOM 0 HB2 LEU A 24 -9.931 12.191 -8.046 1.00 3.33 H new ATOM 0 HB3 LEU A 24 -9.227 11.467 -6.614 1.00 3.33 H new ATOM 0 HG LEU A 24 -11.799 13.046 -6.509 1.00 42.21 H new ATOM 0 HD11 LEU A 24 -12.947 10.825 -6.634 1.00 22.21 H new ATOM 0 HD12 LEU A 24 -12.033 11.171 -8.121 1.00 22.21 H new ATOM 0 HD13 LEU A 24 -11.371 10.046 -6.911 1.00 22.21 H new ATOM 0 HD21 LEU A 24 -12.232 11.685 -4.495 1.00 30.14 H new ATOM 0 HD22 LEU A 24 -10.655 10.887 -4.705 1.00 30.14 H new ATOM 0 HD23 LEU A 24 -10.730 12.628 -4.347 1.00 30.14 H new ATOM 174 N ARG A 25 -7.801 13.452 -4.613 1.00 63.14 N ATOM 175 CA ARG A 25 -7.485 13.664 -3.210 1.00 23.41 C ATOM 176 C ARG A 25 -7.275 15.149 -2.969 1.00 33.11 C ATOM 177 O ARG A 25 -7.823 15.717 -2.021 1.00 34.13 O ATOM 178 CB ARG A 25 -6.202 12.948 -2.830 1.00 12.42 C ATOM 179 CG ARG A 25 -6.097 12.710 -1.355 1.00 11.40 C ATOM 180 CD ARG A 25 -6.627 11.363 -1.036 1.00 32.03 C ATOM 181 NE ARG A 25 -5.645 10.300 -1.336 1.00 3.44 N ATOM 182 CZ ARG A 25 -5.614 9.137 -0.692 1.00 50.14 C ATOM 183 NH1 ARG A 25 -6.663 8.754 -0.031 1.00 50.01 N1+ ATOM 184 NH2 ARG A 25 -4.567 8.335 -0.775 1.00 4.22 N ATOM 0 H ARG A 25 -7.109 12.892 -5.111 1.00 63.14 H new ATOM 0 HA ARG A 25 -8.310 13.277 -2.612 1.00 23.41 H new ATOM 0 HB2 ARG A 25 -6.153 11.993 -3.354 1.00 12.42 H new ATOM 0 HB3 ARG A 25 -5.348 13.538 -3.162 1.00 12.42 H new ATOM 0 HG2 ARG A 25 -5.058 12.789 -1.036 1.00 11.40 H new ATOM 0 HG3 ARG A 25 -6.657 13.471 -0.812 1.00 11.40 H new ATOM 0 HD2 ARG A 25 -6.898 11.320 0.019 1.00 32.03 H new ATOM 0 HD3 ARG A 25 -7.539 11.187 -1.607 1.00 32.03 H new ATOM 0 HE ARG A 25 -4.959 10.466 -2.072 1.00 3.44 H new ATOM 0 HH11 ARG A 25 -7.496 9.342 -0.011 1.00 50.01 H new ATOM 0 HH12 ARG A 25 -6.655 7.864 0.468 1.00 50.01 H new ATOM 0 HH21 ARG A 25 -3.762 8.604 -1.341 1.00 4.22 H new ATOM 0 HH22 ARG A 25 -4.564 7.447 -0.273 1.00 4.22 H new ATOM 198 N GLU A 26 -6.446 15.751 -3.840 1.00 62.04 N ATOM 199 CA GLU A 26 -6.171 17.173 -3.847 1.00 34.45 C ATOM 200 C GLU A 26 -7.487 17.910 -3.905 1.00 52.12 C ATOM 201 O GLU A 26 -7.754 18.791 -3.080 1.00 51.20 O ATOM 202 CB GLU A 26 -5.283 17.482 -5.081 1.00 51.11 C ATOM 203 CG GLU A 26 -4.815 18.932 -5.275 1.00 74.04 C ATOM 204 CD GLU A 26 -5.914 19.901 -5.702 1.00 64.24 C ATOM 205 OE1 GLU A 26 -6.531 19.688 -6.773 1.00 61.54 O ATOM 206 OE2 GLU A 26 -6.181 20.882 -4.980 1.00 30.53 O1- ATOM 0 H GLU A 26 -5.946 15.240 -4.567 1.00 62.04 H new ATOM 0 HA GLU A 26 -5.641 17.492 -2.949 1.00 34.45 H new ATOM 0 HB2 GLU A 26 -4.398 16.848 -5.025 1.00 51.11 H new ATOM 0 HB3 GLU A 26 -5.833 17.184 -5.974 1.00 51.11 H new ATOM 0 HG2 GLU A 26 -4.378 19.287 -4.342 1.00 74.04 H new ATOM 0 HG3 GLU A 26 -4.023 18.948 -6.024 1.00 74.04 H new ATOM 213 N ARG A 27 -8.330 17.498 -4.852 1.00 71.43 N ATOM 214 CA ARG A 27 -9.622 18.099 -5.010 1.00 55.31 C ATOM 215 C ARG A 27 -10.427 18.024 -3.735 1.00 42.02 C ATOM 216 O ARG A 27 -10.894 19.020 -3.285 1.00 54.45 O ATOM 217 CB ARG A 27 -10.448 17.505 -6.154 1.00 11.23 C ATOM 218 CG ARG A 27 -9.907 17.679 -7.576 1.00 62.22 C ATOM 219 CD ARG A 27 -9.419 19.093 -7.852 1.00 24.42 C ATOM 220 NE ARG A 27 -10.309 20.145 -7.308 1.00 64.35 N ATOM 221 CZ ARG A 27 -9.871 21.246 -6.668 1.00 72.32 C ATOM 222 NH1 ARG A 27 -8.575 21.403 -6.413 1.00 71.34 N1+ ATOM 223 NH2 ARG A 27 -10.747 22.138 -6.227 1.00 3.22 N ATOM 0 H ARG A 27 -8.126 16.749 -5.514 1.00 71.43 H new ATOM 0 HA ARG A 27 -9.414 19.139 -5.262 1.00 55.31 H new ATOM 0 HB2 ARG A 27 -10.565 16.438 -5.966 1.00 11.23 H new ATOM 0 HB3 ARG A 27 -11.444 17.947 -6.116 1.00 11.23 H new ATOM 0 HG2 ARG A 27 -9.087 16.979 -7.736 1.00 62.22 H new ATOM 0 HG3 ARG A 27 -10.689 17.423 -8.291 1.00 62.22 H new ATOM 0 HD2 ARG A 27 -8.424 19.215 -7.425 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -9.323 19.231 -8.929 1.00 24.42 H new ATOM 0 HE ARG A 27 -11.315 20.028 -7.425 1.00 64.35 H new ATOM 0 HH11 ARG A 27 -7.908 20.688 -6.703 1.00 71.34 H new ATOM 0 HH12 ARG A 27 -8.248 22.239 -5.928 1.00 71.34 H new ATOM 0 HH21 ARG A 27 -11.745 21.988 -6.373 1.00 3.22 H new ATOM 0 HH22 ARG A 27 -10.423 22.974 -5.741 1.00 3.22 H new ATOM 237 N LEU A 28 -10.537 16.837 -3.142 1.00 11.13 N ATOM 238 CA LEU A 28 -11.350 16.627 -1.932 1.00 13.11 C ATOM 239 C LEU A 28 -11.075 17.607 -0.807 1.00 51.31 C ATOM 240 O LEU A 28 -12.024 18.110 -0.178 1.00 33.44 O ATOM 241 CB LEU A 28 -11.311 15.171 -1.438 1.00 71.32 C ATOM 242 CG LEU A 28 -12.176 14.196 -2.230 1.00 45.50 C ATOM 243 CD1 LEU A 28 -12.074 12.814 -1.650 1.00 73.03 C ATOM 244 CD2 LEU A 28 -13.625 14.645 -2.231 1.00 4.01 C ATOM 0 H LEU A 28 -10.071 15.995 -3.479 1.00 11.13 H new ATOM 0 HA LEU A 28 -12.369 16.839 -2.256 1.00 13.11 H new ATOM 0 HB2 LEU A 28 -10.279 14.822 -1.465 1.00 71.32 H new ATOM 0 HB3 LEU A 28 -11.627 15.149 -0.395 1.00 71.32 H new ATOM 0 HG LEU A 28 -11.812 14.179 -3.257 1.00 45.50 H new ATOM 0 HD11 LEU A 28 -12.697 12.130 -2.227 1.00 73.03 H new ATOM 0 HD12 LEU A 28 -11.037 12.479 -1.688 1.00 73.03 H new ATOM 0 HD13 LEU A 28 -12.413 12.828 -0.614 1.00 73.03 H new ATOM 0 HD21 LEU A 28 -14.225 13.936 -2.801 1.00 4.01 H new ATOM 0 HD22 LEU A 28 -13.993 14.690 -1.206 1.00 4.01 H new ATOM 0 HD23 LEU A 28 -13.700 15.632 -2.687 1.00 4.01 H new ATOM 256 N ILE A 29 -9.813 17.910 -0.587 1.00 4.32 N ATOM 257 CA ILE A 29 -9.423 18.855 0.446 1.00 1.05 C ATOM 258 C ILE A 29 -9.999 20.241 0.123 1.00 61.15 C ATOM 259 O ILE A 29 -10.684 20.849 0.941 1.00 13.44 O ATOM 260 CB ILE A 29 -7.871 18.902 0.597 1.00 43.04 C ATOM 261 CG1 ILE A 29 -7.370 17.502 0.958 1.00 62.24 C ATOM 262 CG2 ILE A 29 -7.441 19.909 1.668 1.00 1.01 C ATOM 263 CD1 ILE A 29 -5.877 17.378 1.149 1.00 21.11 C ATOM 0 H ILE A 29 -9.033 17.514 -1.112 1.00 4.32 H new ATOM 0 HA ILE A 29 -9.831 18.527 1.402 1.00 1.05 H new ATOM 0 HB ILE A 29 -7.435 19.226 -0.348 1.00 43.04 H new ATOM 0 HG12 ILE A 29 -7.864 17.183 1.876 1.00 62.24 H new ATOM 0 HG13 ILE A 29 -7.678 16.811 0.173 1.00 62.24 H new ATOM 0 HG21 ILE A 29 -6.354 19.915 1.746 1.00 1.01 H new ATOM 0 HG22 ILE A 29 -7.791 20.904 1.393 1.00 1.01 H new ATOM 0 HG23 ILE A 29 -7.872 19.625 2.628 1.00 1.01 H new ATOM 0 HD11 ILE A 29 -5.627 16.348 1.402 1.00 21.11 H new ATOM 0 HD12 ILE A 29 -5.368 17.660 0.227 1.00 21.11 H new ATOM 0 HD13 ILE A 29 -5.557 18.037 1.956 1.00 21.11 H new ATOM 275 N GLN A 30 -9.802 20.671 -1.101 1.00 53.44 N ATOM 276 CA GLN A 30 -10.287 21.962 -1.557 1.00 35.35 C ATOM 277 C GLN A 30 -11.816 21.996 -1.739 1.00 54.33 C ATOM 278 O GLN A 30 -12.476 22.934 -1.294 1.00 21.42 O ATOM 279 CB GLN A 30 -9.578 22.375 -2.848 1.00 5.21 C ATOM 280 CG GLN A 30 -8.223 23.060 -2.640 1.00 30.54 C ATOM 281 CD GLN A 30 -7.239 22.284 -1.776 1.00 52.31 C ATOM 282 OE1 GLN A 30 -7.204 22.455 -0.566 1.00 45.42 O ATOM 283 NE2 GLN A 30 -6.442 21.446 -2.375 1.00 74.10 N ATOM 0 H GLN A 30 -9.301 20.139 -1.813 1.00 53.44 H new ATOM 0 HA GLN A 30 -10.051 22.683 -0.774 1.00 35.35 H new ATOM 0 HB2 GLN A 30 -9.432 21.489 -3.466 1.00 5.21 H new ATOM 0 HB3 GLN A 30 -10.229 23.048 -3.405 1.00 5.21 H new ATOM 0 HG2 GLN A 30 -7.768 23.236 -3.615 1.00 30.54 H new ATOM 0 HG3 GLN A 30 -8.392 24.036 -2.186 1.00 30.54 H new ATOM 0 HE21 GLN A 30 -6.496 21.325 -3.386 1.00 74.10 H new ATOM 0 HE22 GLN A 30 -5.764 20.910 -1.833 1.00 74.10 H new ATOM 292 N GLU A 31 -12.362 20.952 -2.355 1.00 34.02 N ATOM 293 CA GLU A 31 -13.786 20.846 -2.677 1.00 74.42 C ATOM 294 C GLU A 31 -14.691 21.000 -1.468 1.00 40.22 C ATOM 295 O GLU A 31 -15.623 21.806 -1.497 1.00 2.11 O ATOM 296 CB GLU A 31 -14.123 19.534 -3.397 1.00 14.24 C ATOM 297 CG GLU A 31 -13.540 19.381 -4.802 1.00 23.23 C ATOM 298 CD GLU A 31 -13.966 20.477 -5.753 1.00 73.34 C ATOM 299 OE1 GLU A 31 -15.180 20.726 -5.873 1.00 63.31 O ATOM 300 OE2 GLU A 31 -13.095 21.069 -6.405 1.00 4.42 O1- ATOM 0 H GLU A 31 -11.820 20.140 -2.651 1.00 34.02 H new ATOM 0 HA GLU A 31 -13.979 21.683 -3.349 1.00 74.42 H new ATOM 0 HB2 GLU A 31 -13.770 18.704 -2.785 1.00 14.24 H new ATOM 0 HB3 GLU A 31 -15.207 19.444 -3.462 1.00 14.24 H new ATOM 0 HG2 GLU A 31 -12.452 19.370 -4.736 1.00 23.23 H new ATOM 0 HG3 GLU A 31 -13.844 18.417 -5.210 1.00 23.23 H new ATOM 307 N LEU A 32 -14.464 20.226 -0.416 1.00 31.21 N ATOM 308 CA LEU A 32 -15.325 20.357 0.747 1.00 35.01 C ATOM 309 C LEU A 32 -14.689 21.182 1.857 1.00 31.31 C ATOM 310 O LEU A 32 -15.246 21.264 2.945 1.00 13.54 O ATOM 311 CB LEU A 32 -15.736 18.998 1.276 1.00 41.51 C ATOM 312 CG LEU A 32 -16.586 18.128 0.372 1.00 30.24 C ATOM 313 CD1 LEU A 32 -16.813 16.802 1.047 1.00 53.53 C ATOM 314 CD2 LEU A 32 -17.919 18.802 0.066 1.00 61.14 C ATOM 0 H LEU A 32 -13.723 19.529 -0.343 1.00 31.21 H new ATOM 0 HA LEU A 32 -16.214 20.892 0.413 1.00 35.01 H new ATOM 0 HB2 LEU A 32 -14.830 18.444 1.523 1.00 41.51 H new ATOM 0 HB3 LEU A 32 -16.281 19.149 2.208 1.00 41.51 H new ATOM 0 HG LEU A 32 -16.066 17.977 -0.574 1.00 30.24 H new ATOM 0 HD11 LEU A 32 -17.424 16.167 0.405 1.00 53.53 H new ATOM 0 HD12 LEU A 32 -15.854 16.318 1.229 1.00 53.53 H new ATOM 0 HD13 LEU A 32 -17.326 16.960 1.996 1.00 53.53 H new ATOM 0 HD21 LEU A 32 -18.511 18.158 -0.584 1.00 61.14 H new ATOM 0 HD22 LEU A 32 -18.461 18.976 0.996 1.00 61.14 H new ATOM 0 HD23 LEU A 32 -17.739 19.755 -0.432 1.00 61.14 H new ATOM 326 N ASN A 33 -13.524 21.793 1.572 1.00 74.44 N ATOM 327 CA ASN A 33 -12.798 22.633 2.572 1.00 22.34 C ATOM 328 C ASN A 33 -12.392 21.782 3.768 1.00 52.20 C ATOM 329 O ASN A 33 -12.384 22.235 4.918 1.00 52.03 O ATOM 330 CB ASN A 33 -13.643 23.857 3.043 1.00 1.14 C ATOM 331 CG ASN A 33 -13.790 24.988 2.016 1.00 3.02 C ATOM 332 OD1 ASN A 33 -13.932 26.148 2.383 1.00 22.44 O ATOM 333 ND2 ASN A 33 -13.751 24.679 0.739 1.00 23.11 N ATOM 0 H ASN A 33 -13.059 21.728 0.666 1.00 74.44 H new ATOM 0 HA ASN A 33 -11.907 23.027 2.083 1.00 22.34 H new ATOM 0 HB2 ASN A 33 -14.638 23.506 3.317 1.00 1.14 H new ATOM 0 HB3 ASN A 33 -13.189 24.265 3.946 1.00 1.14 H new ATOM 0 HD21 ASN A 33 -13.840 25.411 0.034 1.00 23.11 H new ATOM 0 HD22 ASN A 33 -13.632 23.707 0.453 1.00 23.11 H new ATOM 340 N LEU A 34 -11.997 20.567 3.473 1.00 75.54 N ATOM 341 CA LEU A 34 -11.634 19.612 4.482 1.00 24.25 C ATOM 342 C LEU A 34 -10.221 19.907 4.926 1.00 44.04 C ATOM 343 O LEU A 34 -9.344 20.084 4.104 1.00 10.00 O ATOM 344 CB LEU A 34 -11.706 18.179 3.904 1.00 70.14 C ATOM 345 CG LEU A 34 -13.028 17.781 3.225 1.00 22.21 C ATOM 346 CD1 LEU A 34 -12.949 16.394 2.596 1.00 60.32 C ATOM 347 CD2 LEU A 34 -14.183 17.845 4.194 1.00 41.51 C ATOM 0 H LEU A 34 -11.919 20.215 2.519 1.00 75.54 H new ATOM 0 HA LEU A 34 -12.320 19.683 5.326 1.00 24.25 H new ATOM 0 HB2 LEU A 34 -10.901 18.062 3.179 1.00 70.14 H new ATOM 0 HB3 LEU A 34 -11.511 17.474 4.712 1.00 70.14 H new ATOM 0 HG LEU A 34 -13.201 18.504 2.428 1.00 22.21 H new ATOM 0 HD11 LEU A 34 -13.903 16.152 2.128 1.00 60.32 H new ATOM 0 HD12 LEU A 34 -12.161 16.380 1.843 1.00 60.32 H new ATOM 0 HD13 LEU A 34 -12.726 15.657 3.367 1.00 60.32 H new ATOM 0 HD21 LEU A 34 -15.102 17.558 3.684 1.00 41.51 H new ATOM 0 HD22 LEU A 34 -14.000 17.162 5.024 1.00 41.51 H new ATOM 0 HD23 LEU A 34 -14.282 18.861 4.576 1.00 41.51 H new ATOM 359 N THR A 35 -10.001 19.987 6.204 1.00 70.40 N ATOM 360 CA THR A 35 -8.670 20.208 6.697 1.00 51.31 C ATOM 361 C THR A 35 -7.875 18.883 6.591 1.00 13.40 C ATOM 362 O THR A 35 -8.476 17.834 6.443 1.00 1.21 O ATOM 363 CB THR A 35 -8.707 20.741 8.156 1.00 75.13 C ATOM 364 OG1 THR A 35 -9.475 19.863 8.990 1.00 61.20 O ATOM 365 CG2 THR A 35 -9.309 22.140 8.205 1.00 62.33 C ATOM 0 H THR A 35 -10.720 19.903 6.923 1.00 70.40 H new ATOM 0 HA THR A 35 -8.171 20.968 6.095 1.00 51.31 H new ATOM 0 HB THR A 35 -7.682 20.783 8.524 1.00 75.13 H new ATOM 0 HG1 THR A 35 -10.429 19.991 8.809 1.00 61.20 H new ATOM 0 HG21 THR A 35 -9.325 22.493 9.236 1.00 62.33 H new ATOM 0 HG22 THR A 35 -8.707 22.817 7.599 1.00 62.33 H new ATOM 0 HG23 THR A 35 -10.327 22.112 7.815 1.00 62.33 H new ATOM 373 N PRO A 36 -6.529 18.890 6.659 1.00 44.32 N ATOM 374 CA PRO A 36 -5.732 17.640 6.538 1.00 45.32 C ATOM 375 C PRO A 36 -6.012 16.629 7.672 1.00 1.03 C ATOM 376 O PRO A 36 -5.663 15.472 7.576 1.00 70.11 O ATOM 377 CB PRO A 36 -4.279 18.130 6.598 1.00 64.41 C ATOM 378 CG PRO A 36 -4.347 19.583 6.260 1.00 12.10 C ATOM 379 CD PRO A 36 -5.663 20.073 6.792 1.00 72.32 C ATOM 0 HA PRO A 36 -5.978 17.100 5.624 1.00 45.32 H new ATOM 0 HB2 PRO A 36 -3.851 17.975 7.588 1.00 64.41 H new ATOM 0 HB3 PRO A 36 -3.651 17.589 5.890 1.00 64.41 H new ATOM 0 HG2 PRO A 36 -3.517 20.127 6.711 1.00 12.10 H new ATOM 0 HG3 PRO A 36 -4.281 19.736 5.183 1.00 12.10 H new ATOM 0 HD2 PRO A 36 -5.583 20.402 7.828 1.00 72.32 H new ATOM 0 HD3 PRO A 36 -6.042 20.918 6.218 1.00 72.32 H new ATOM 387 N GLN A 37 -6.657 17.091 8.732 1.00 52.41 N ATOM 388 CA GLN A 37 -7.022 16.222 9.853 1.00 51.10 C ATOM 389 C GLN A 37 -8.480 15.791 9.706 1.00 43.45 C ATOM 390 O GLN A 37 -9.028 15.096 10.542 1.00 21.33 O ATOM 391 CB GLN A 37 -6.824 16.955 11.182 1.00 11.25 C ATOM 392 CG GLN A 37 -5.397 17.432 11.421 1.00 73.23 C ATOM 393 CD GLN A 37 -5.209 18.135 12.760 1.00 2.32 C ATOM 394 OE1 GLN A 37 -4.143 18.095 13.340 1.00 63.31 O ATOM 395 NE2 GLN A 37 -6.241 18.783 13.253 1.00 4.04 N ATOM 0 H GLN A 37 -6.941 18.064 8.845 1.00 52.41 H new ATOM 0 HA GLN A 37 -6.380 15.341 9.846 1.00 51.10 H new ATOM 0 HB2 GLN A 37 -7.493 17.815 11.214 1.00 11.25 H new ATOM 0 HB3 GLN A 37 -7.116 16.293 11.997 1.00 11.25 H new ATOM 0 HG2 GLN A 37 -4.723 16.577 11.370 1.00 73.23 H new ATOM 0 HG3 GLN A 37 -5.110 18.112 10.619 1.00 73.23 H new ATOM 0 HE21 GLN A 37 -7.124 18.799 12.743 1.00 4.04 H new ATOM 0 HE22 GLN A 37 -6.159 19.270 14.146 1.00 4.04 H new ATOM 404 N GLN A 38 -9.086 16.257 8.644 1.00 62.31 N ATOM 405 CA GLN A 38 -10.453 15.990 8.314 1.00 35.41 C ATOM 406 C GLN A 38 -10.464 15.180 7.025 1.00 71.33 C ATOM 407 O GLN A 38 -11.499 14.671 6.590 1.00 11.44 O ATOM 408 CB GLN A 38 -11.100 17.346 8.092 1.00 51.33 C ATOM 409 CG GLN A 38 -12.578 17.383 7.880 1.00 35.40 C ATOM 410 CD GLN A 38 -13.050 18.829 7.784 1.00 34.24 C ATOM 411 OE1 GLN A 38 -12.419 19.733 8.345 1.00 62.22 O ATOM 412 NE2 GLN A 38 -14.146 19.066 7.117 1.00 31.33 N ATOM 0 H GLN A 38 -8.618 16.855 7.963 1.00 62.31 H new ATOM 0 HA GLN A 38 -10.983 15.434 9.088 1.00 35.41 H new ATOM 0 HB2 GLN A 38 -10.869 17.973 8.953 1.00 51.33 H new ATOM 0 HB3 GLN A 38 -10.625 17.807 7.226 1.00 51.33 H new ATOM 0 HG2 GLN A 38 -12.837 16.845 6.968 1.00 35.40 H new ATOM 0 HG3 GLN A 38 -13.085 16.879 8.703 1.00 35.40 H new ATOM 0 HE21 GLN A 38 -14.644 18.299 6.665 1.00 31.33 H new ATOM 0 HE22 GLN A 38 -14.505 20.018 7.047 1.00 31.33 H new ATOM 421 N LEU A 39 -9.293 15.068 6.425 1.00 53.23 N ATOM 422 CA LEU A 39 -9.143 14.380 5.196 1.00 53.53 C ATOM 423 C LEU A 39 -7.822 13.636 5.187 1.00 51.43 C ATOM 424 O LEU A 39 -6.813 14.097 4.657 1.00 74.15 O ATOM 425 CB LEU A 39 -9.303 15.352 3.995 1.00 4.03 C ATOM 426 CG LEU A 39 -9.586 14.745 2.605 1.00 64.14 C ATOM 427 CD1 LEU A 39 -8.322 14.264 1.916 1.00 21.44 C ATOM 428 CD2 LEU A 39 -10.573 13.598 2.718 1.00 54.42 C ATOM 0 H LEU A 39 -8.427 15.460 6.794 1.00 53.23 H new ATOM 0 HA LEU A 39 -9.935 13.638 5.090 1.00 53.53 H new ATOM 0 HB2 LEU A 39 -10.114 16.042 4.229 1.00 4.03 H new ATOM 0 HB3 LEU A 39 -8.391 15.945 3.921 1.00 4.03 H new ATOM 0 HG LEU A 39 -10.014 15.540 1.995 1.00 64.14 H new ATOM 0 HD11 LEU A 39 -8.575 13.846 0.942 1.00 21.44 H new ATOM 0 HD12 LEU A 39 -7.638 15.102 1.784 1.00 21.44 H new ATOM 0 HD13 LEU A 39 -7.844 13.498 2.527 1.00 21.44 H new ATOM 0 HD21 LEU A 39 -10.761 13.181 1.729 1.00 54.42 H new ATOM 0 HD22 LEU A 39 -10.159 12.824 3.365 1.00 54.42 H new ATOM 0 HD23 LEU A 39 -11.508 13.963 3.142 1.00 54.42 H new ATOM 440 N HIS A 40 -7.827 12.563 5.891 1.00 60.20 N ATOM 441 CA HIS A 40 -6.754 11.626 5.923 1.00 61.44 C ATOM 442 C HIS A 40 -7.313 10.302 5.374 1.00 64.02 C ATOM 443 O HIS A 40 -8.529 10.172 5.219 1.00 11.45 O ATOM 444 CB HIS A 40 -6.151 11.502 7.354 1.00 25.02 C ATOM 445 CG HIS A 40 -5.041 10.486 7.474 1.00 31.22 C ATOM 446 ND1 HIS A 40 -5.158 9.341 8.194 1.00 61.33 N ATOM 447 CD2 HIS A 40 -3.821 10.426 6.881 1.00 31.22 C ATOM 448 CE1 HIS A 40 -4.081 8.610 8.032 1.00 13.21 C ATOM 449 NE2 HIS A 40 -3.211 9.220 7.236 1.00 50.20 N ATOM 0 H HIS A 40 -8.611 12.299 6.488 1.00 60.20 H new ATOM 0 HA HIS A 40 -5.917 11.950 5.304 1.00 61.44 H new ATOM 0 HB2 HIS A 40 -5.771 12.476 7.661 1.00 25.02 H new ATOM 0 HB3 HIS A 40 -6.947 11.237 8.050 1.00 25.02 H new ATOM 0 HD2 HIS A 40 -3.393 11.184 6.242 1.00 31.22 H new ATOM 0 HE1 HIS A 40 -3.923 7.642 8.485 1.00 13.21 H new ATOM 0 HE2 HIS A 40 -2.294 8.881 6.946 1.00 50.20 H new ATOM 457 N GLU A 41 -6.442 9.375 5.038 1.00 21.31 N ATOM 458 CA GLU A 41 -6.773 8.109 4.371 1.00 11.40 C ATOM 459 C GLU A 41 -7.985 7.352 5.020 1.00 12.13 C ATOM 460 O GLU A 41 -8.801 6.743 4.307 1.00 62.12 O ATOM 461 CB GLU A 41 -5.508 7.220 4.374 1.00 12.42 C ATOM 462 CG GLU A 41 -5.547 6.030 3.425 1.00 42.03 C ATOM 463 CD GLU A 41 -5.676 6.463 1.979 1.00 35.13 C ATOM 464 OE1 GLU A 41 -4.656 6.605 1.283 1.00 40.03 O ATOM 465 OE2 GLU A 41 -6.797 6.713 1.534 1.00 4.44 O1- ATOM 0 H GLU A 41 -5.444 9.475 5.223 1.00 21.31 H new ATOM 0 HA GLU A 41 -7.090 8.338 3.354 1.00 11.40 H new ATOM 0 HB2 GLU A 41 -4.648 7.839 4.119 1.00 12.42 H new ATOM 0 HB3 GLU A 41 -5.346 6.851 5.387 1.00 12.42 H new ATOM 0 HG2 GLU A 41 -4.639 5.439 3.547 1.00 42.03 H new ATOM 0 HG3 GLU A 41 -6.386 5.385 3.687 1.00 42.03 H new ATOM 472 N GLU A 42 -8.146 7.462 6.339 1.00 54.55 N ATOM 473 CA GLU A 42 -9.169 6.689 7.049 1.00 55.40 C ATOM 474 C GLU A 42 -10.431 7.540 7.322 1.00 3.22 C ATOM 475 O GLU A 42 -11.418 7.051 7.879 1.00 50.42 O ATOM 476 CB GLU A 42 -8.592 6.152 8.394 1.00 40.02 C ATOM 477 CG GLU A 42 -8.656 7.126 9.586 1.00 11.52 C ATOM 478 CD GLU A 42 -7.799 8.343 9.417 1.00 24.24 C ATOM 479 OE1 GLU A 42 -8.151 9.237 8.612 1.00 1.44 O ATOM 480 OE2 GLU A 42 -6.753 8.411 10.046 1.00 75.30 O1- ATOM 0 H GLU A 42 -7.587 8.073 6.934 1.00 54.55 H new ATOM 0 HA GLU A 42 -9.457 5.851 6.415 1.00 55.40 H new ATOM 0 HB2 GLU A 42 -9.131 5.243 8.662 1.00 40.02 H new ATOM 0 HB3 GLU A 42 -7.551 5.870 8.235 1.00 40.02 H new ATOM 0 HG2 GLU A 42 -9.690 7.438 9.733 1.00 11.52 H new ATOM 0 HG3 GLU A 42 -8.350 6.600 10.490 1.00 11.52 H new ATOM 487 N SER A 43 -10.386 8.792 6.928 1.00 44.32 N ATOM 488 CA SER A 43 -11.444 9.721 7.219 1.00 32.33 C ATOM 489 C SER A 43 -12.726 9.401 6.436 1.00 2.30 C ATOM 490 O SER A 43 -12.700 9.186 5.204 1.00 63.35 O ATOM 491 CB SER A 43 -10.963 11.140 6.947 1.00 61.11 C ATOM 492 OG SER A 43 -9.748 11.410 7.659 1.00 44.55 O ATOM 0 H SER A 43 -9.612 9.191 6.397 1.00 44.32 H new ATOM 0 HA SER A 43 -11.701 9.629 8.274 1.00 32.33 H new ATOM 0 HB2 SER A 43 -10.801 11.275 5.878 1.00 61.11 H new ATOM 0 HB3 SER A 43 -11.731 11.853 7.246 1.00 61.11 H new ATOM 0 HG SER A 43 -9.357 10.567 7.971 1.00 44.55 H new ATOM 498 N ASN A 44 -13.837 9.337 7.164 1.00 63.11 N ATOM 499 CA ASN A 44 -15.139 9.050 6.581 1.00 53.52 C ATOM 500 C ASN A 44 -15.640 10.265 5.828 1.00 64.33 C ATOM 501 O ASN A 44 -15.979 11.287 6.420 1.00 43.52 O ATOM 502 CB ASN A 44 -16.157 8.610 7.663 1.00 32.50 C ATOM 503 CG ASN A 44 -17.536 8.184 7.106 1.00 63.22 C ATOM 504 OD1 ASN A 44 -18.013 8.675 6.080 1.00 11.14 O ATOM 505 ND2 ASN A 44 -18.190 7.290 7.798 1.00 35.23 N ATOM 0 H ASN A 44 -13.858 9.483 8.173 1.00 63.11 H new ATOM 0 HA ASN A 44 -15.031 8.220 5.883 1.00 53.52 H new ATOM 0 HB2 ASN A 44 -15.734 7.779 8.226 1.00 32.50 H new ATOM 0 HB3 ASN A 44 -16.300 9.431 8.365 1.00 32.50 H new ATOM 0 HD21 ASN A 44 -19.114 6.985 7.493 1.00 35.23 H new ATOM 0 HD22 ASN A 44 -17.777 6.897 8.644 1.00 35.23 H new ATOM 512 N LEU A 45 -15.710 10.125 4.534 1.00 42.53 N ATOM 513 CA LEU A 45 -16.090 11.201 3.642 1.00 52.42 C ATOM 514 C LEU A 45 -17.563 11.595 3.718 1.00 61.23 C ATOM 515 O LEU A 45 -17.901 12.741 3.468 1.00 72.50 O ATOM 516 CB LEU A 45 -15.647 10.889 2.223 1.00 75.03 C ATOM 517 CG LEU A 45 -14.155 11.117 1.949 1.00 5.13 C ATOM 518 CD1 LEU A 45 -13.754 10.455 0.669 1.00 23.50 C ATOM 519 CD2 LEU A 45 -13.870 12.617 1.872 1.00 5.10 C ATOM 0 H LEU A 45 -15.503 9.249 4.055 1.00 42.53 H new ATOM 0 HA LEU A 45 -15.561 12.089 3.988 1.00 52.42 H new ATOM 0 HB2 LEU A 45 -15.887 9.849 2.003 1.00 75.03 H new ATOM 0 HB3 LEU A 45 -16.226 11.503 1.533 1.00 75.03 H new ATOM 0 HG LEU A 45 -13.575 10.681 2.763 1.00 5.13 H new ATOM 0 HD11 LEU A 45 -12.693 10.626 0.488 1.00 23.50 H new ATOM 0 HD12 LEU A 45 -13.943 9.384 0.739 1.00 23.50 H new ATOM 0 HD13 LEU A 45 -14.334 10.873 -0.154 1.00 23.50 H new ATOM 0 HD21 LEU A 45 -12.809 12.776 1.677 1.00 5.10 H new ATOM 0 HD22 LEU A 45 -14.457 13.058 1.066 1.00 5.10 H new ATOM 0 HD23 LEU A 45 -14.140 13.088 2.817 1.00 5.10 H new ATOM 531 N ILE A 46 -18.429 10.686 4.112 1.00 41.20 N ATOM 532 CA ILE A 46 -19.847 11.031 4.229 1.00 50.51 C ATOM 533 C ILE A 46 -20.034 11.929 5.460 1.00 21.14 C ATOM 534 O ILE A 46 -20.807 12.878 5.447 1.00 52.42 O ATOM 535 CB ILE A 46 -20.765 9.766 4.312 1.00 51.11 C ATOM 536 CG1 ILE A 46 -20.655 8.912 3.029 1.00 53.34 C ATOM 537 CG2 ILE A 46 -22.225 10.136 4.586 1.00 61.02 C ATOM 538 CD1 ILE A 46 -21.096 9.592 1.754 1.00 44.44 C ATOM 0 H ILE A 46 -18.194 9.723 4.354 1.00 41.20 H new ATOM 0 HA ILE A 46 -20.150 11.565 3.328 1.00 50.51 H new ATOM 0 HB ILE A 46 -20.411 9.171 5.154 1.00 51.11 H new ATOM 0 HG12 ILE A 46 -19.618 8.596 2.912 1.00 53.34 H new ATOM 0 HG13 ILE A 46 -21.250 8.009 3.163 1.00 53.34 H new ATOM 0 HG21 ILE A 46 -22.827 9.229 4.636 1.00 61.02 H new ATOM 0 HG22 ILE A 46 -22.293 10.669 5.534 1.00 61.02 H new ATOM 0 HG23 ILE A 46 -22.596 10.774 3.783 1.00 61.02 H new ATOM 0 HD11 ILE A 46 -20.978 8.905 0.916 1.00 44.44 H new ATOM 0 HD12 ILE A 46 -22.143 9.883 1.840 1.00 44.44 H new ATOM 0 HD13 ILE A 46 -20.486 10.479 1.585 1.00 44.44 H new ATOM 550 N GLN A 47 -19.226 11.673 6.481 1.00 73.01 N ATOM 551 CA GLN A 47 -19.260 12.450 7.718 1.00 13.11 C ATOM 552 C GLN A 47 -18.481 13.741 7.541 1.00 31.25 C ATOM 553 O GLN A 47 -18.545 14.635 8.372 1.00 4.21 O ATOM 554 CB GLN A 47 -18.686 11.658 8.891 1.00 24.44 C ATOM 555 CG GLN A 47 -19.444 10.382 9.222 1.00 3.43 C ATOM 556 CD GLN A 47 -18.856 9.635 10.412 1.00 21.34 C ATOM 557 OE1 GLN A 47 -18.918 8.418 10.484 1.00 73.22 O ATOM 558 NE2 GLN A 47 -18.297 10.354 11.359 1.00 53.53 N ATOM 0 H GLN A 47 -18.532 10.926 6.478 1.00 73.01 H new ATOM 0 HA GLN A 47 -20.302 12.678 7.941 1.00 13.11 H new ATOM 0 HB2 GLN A 47 -17.650 11.403 8.668 1.00 24.44 H new ATOM 0 HB3 GLN A 47 -18.674 12.298 9.774 1.00 24.44 H new ATOM 0 HG2 GLN A 47 -20.485 10.628 9.432 1.00 3.43 H new ATOM 0 HG3 GLN A 47 -19.441 9.727 8.351 1.00 3.43 H new ATOM 0 HE21 GLN A 47 -18.259 11.370 11.273 1.00 53.53 H new ATOM 0 HE22 GLN A 47 -17.901 9.897 12.180 1.00 53.53 H new ATOM 567 N ALA A 48 -17.733 13.813 6.453 1.00 2.41 N ATOM 568 CA ALA A 48 -16.994 15.005 6.097 1.00 32.41 C ATOM 569 C ALA A 48 -17.920 15.961 5.358 1.00 51.33 C ATOM 570 O ALA A 48 -17.566 17.100 5.072 1.00 31.51 O ATOM 571 CB ALA A 48 -15.789 14.646 5.236 1.00 72.35 C ATOM 0 H ALA A 48 -17.623 13.043 5.793 1.00 2.41 H new ATOM 0 HA ALA A 48 -16.625 15.490 7.001 1.00 32.41 H new ATOM 0 HB1 ALA A 48 -15.244 15.554 4.977 1.00 72.35 H new ATOM 0 HB2 ALA A 48 -15.133 13.974 5.790 1.00 72.35 H new ATOM 0 HB3 ALA A 48 -16.127 14.153 4.325 1.00 72.35 H new ATOM 577 N GLY A 49 -19.109 15.463 5.053 1.00 53.45 N ATOM 578 CA GLY A 49 -20.124 16.250 4.421 1.00 14.34 C ATOM 579 C GLY A 49 -20.096 16.160 2.916 1.00 60.20 C ATOM 580 O GLY A 49 -20.341 17.141 2.222 1.00 3.03 O ATOM 0 H GLY A 49 -19.385 14.499 5.242 1.00 53.45 H new ATOM 0 HA2 GLY A 49 -21.101 15.926 4.780 1.00 14.34 H new ATOM 0 HA3 GLY A 49 -20.004 17.292 4.718 1.00 14.34 H new ATOM 584 N LEU A 50 -19.798 14.991 2.406 1.00 65.42 N ATOM 585 CA LEU A 50 -19.777 14.783 0.986 1.00 43.32 C ATOM 586 C LEU A 50 -21.157 14.378 0.550 1.00 22.02 C ATOM 587 O LEU A 50 -21.601 13.250 0.810 1.00 2.15 O ATOM 588 CB LEU A 50 -18.726 13.722 0.634 1.00 25.11 C ATOM 589 CG LEU A 50 -18.040 13.886 -0.707 1.00 5.43 C ATOM 590 CD1 LEU A 50 -16.584 13.474 -0.590 1.00 11.11 C ATOM 591 CD2 LEU A 50 -18.718 13.039 -1.741 1.00 23.51 C ATOM 0 H LEU A 50 -19.566 14.167 2.960 1.00 65.42 H new ATOM 0 HA LEU A 50 -19.499 15.697 0.460 1.00 43.32 H new ATOM 0 HB2 LEU A 50 -17.963 13.723 1.413 1.00 25.11 H new ATOM 0 HB3 LEU A 50 -19.205 12.743 0.658 1.00 25.11 H new ATOM 0 HG LEU A 50 -18.100 14.932 -1.008 1.00 5.43 H new ATOM 0 HD11 LEU A 50 -16.093 13.593 -1.556 1.00 11.11 H new ATOM 0 HD12 LEU A 50 -16.087 14.102 0.149 1.00 11.11 H new ATOM 0 HD13 LEU A 50 -16.525 12.431 -0.279 1.00 11.11 H new ATOM 0 HD21 LEU A 50 -18.216 13.165 -2.701 1.00 23.51 H new ATOM 0 HD22 LEU A 50 -18.671 11.992 -1.442 1.00 23.51 H new ATOM 0 HD23 LEU A 50 -19.761 13.343 -1.834 1.00 23.51 H new ATOM 603 N ASP A 51 -21.859 15.323 -0.047 1.00 70.04 N ATOM 604 CA ASP A 51 -23.206 15.101 -0.524 1.00 41.42 C ATOM 605 C ASP A 51 -23.183 14.094 -1.661 1.00 12.34 C ATOM 606 O ASP A 51 -22.129 13.804 -2.242 1.00 55.52 O ATOM 607 CB ASP A 51 -23.871 16.411 -0.991 1.00 34.12 C ATOM 608 CG ASP A 51 -23.276 16.947 -2.273 1.00 53.24 C ATOM 609 OD1 ASP A 51 -22.299 17.706 -2.212 1.00 64.31 O ATOM 610 OD2 ASP A 51 -23.769 16.567 -3.355 1.00 55.31 O1- ATOM 0 H ASP A 51 -21.509 16.266 -0.214 1.00 70.04 H new ATOM 0 HA ASP A 51 -23.797 14.710 0.304 1.00 41.42 H new ATOM 0 HB2 ASP A 51 -24.938 16.240 -1.135 1.00 34.12 H new ATOM 0 HB3 ASP A 51 -23.771 17.163 -0.208 1.00 34.12 H new ATOM 615 N SER A 52 -24.323 13.584 -2.009 1.00 50.44 N ATOM 616 CA SER A 52 -24.373 12.544 -2.981 1.00 54.23 C ATOM 617 C SER A 52 -24.202 13.018 -4.420 1.00 4.15 C ATOM 618 O SER A 52 -23.925 12.209 -5.295 1.00 43.23 O ATOM 619 CB SER A 52 -25.587 11.700 -2.801 1.00 32.50 C ATOM 620 OG SER A 52 -25.618 11.194 -1.473 1.00 13.01 O ATOM 0 H SER A 52 -25.227 13.871 -1.635 1.00 50.44 H new ATOM 0 HA SER A 52 -23.497 11.922 -2.797 1.00 54.23 H new ATOM 0 HB2 SER A 52 -26.484 12.287 -2.999 1.00 32.50 H new ATOM 0 HB3 SER A 52 -25.580 10.877 -3.515 1.00 32.50 H new ATOM 0 HG SER A 52 -25.440 10.230 -1.486 1.00 13.01 H new ATOM 626 N ILE A 53 -24.322 14.305 -4.682 1.00 3.22 N ATOM 627 CA ILE A 53 -24.066 14.755 -6.021 1.00 61.24 C ATOM 628 C ILE A 53 -22.587 14.943 -6.139 1.00 4.31 C ATOM 629 O ILE A 53 -22.018 14.633 -7.153 1.00 72.35 O ATOM 630 CB ILE A 53 -24.784 16.061 -6.437 1.00 64.33 C ATOM 631 CG1 ILE A 53 -26.310 15.941 -6.218 1.00 21.33 C ATOM 632 CG2 ILE A 53 -24.475 16.361 -7.924 1.00 5.02 C ATOM 633 CD1 ILE A 53 -26.981 14.815 -6.996 1.00 71.44 C ATOM 0 H ILE A 53 -24.585 15.026 -4.011 1.00 3.22 H new ATOM 0 HA ILE A 53 -24.466 13.998 -6.696 1.00 61.24 H new ATOM 0 HB ILE A 53 -24.420 16.881 -5.818 1.00 64.33 H new ATOM 0 HG12 ILE A 53 -26.500 15.792 -5.155 1.00 21.33 H new ATOM 0 HG13 ILE A 53 -26.778 16.885 -6.496 1.00 21.33 H new ATOM 0 HG21 ILE A 53 -24.979 17.280 -8.222 1.00 5.02 H new ATOM 0 HG22 ILE A 53 -23.399 16.478 -8.056 1.00 5.02 H new ATOM 0 HG23 ILE A 53 -24.829 15.536 -8.543 1.00 5.02 H new ATOM 0 HD11 ILE A 53 -28.049 14.809 -6.779 1.00 71.44 H new ATOM 0 HD12 ILE A 53 -26.829 14.970 -8.064 1.00 71.44 H new ATOM 0 HD13 ILE A 53 -26.546 13.860 -6.702 1.00 71.44 H new ATOM 645 N ARG A 54 -21.963 15.424 -5.059 1.00 63.31 N ATOM 646 CA ARG A 54 -20.514 15.552 -4.975 1.00 62.42 C ATOM 647 C ARG A 54 -19.930 14.172 -5.249 1.00 4.20 C ATOM 648 O ARG A 54 -19.030 14.004 -6.065 1.00 75.50 O ATOM 649 CB ARG A 54 -20.141 15.953 -3.550 1.00 25.02 C ATOM 650 CG ARG A 54 -19.106 17.043 -3.408 1.00 21.22 C ATOM 651 CD ARG A 54 -19.620 18.365 -3.962 1.00 32.45 C ATOM 652 NE ARG A 54 -18.748 19.487 -3.589 1.00 71.33 N ATOM 653 CZ ARG A 54 -17.761 19.989 -4.341 1.00 21.13 C ATOM 654 NH1 ARG A 54 -17.449 19.441 -5.504 1.00 42.14 N1+ ATOM 655 NH2 ARG A 54 -17.059 21.031 -3.927 1.00 2.45 N ATOM 0 H ARG A 54 -22.453 15.734 -4.220 1.00 63.31 H new ATOM 0 HA ARG A 54 -20.142 16.294 -5.681 1.00 62.42 H new ATOM 0 HB2 ARG A 54 -21.048 16.274 -3.037 1.00 25.02 H new ATOM 0 HB3 ARG A 54 -19.777 15.067 -3.030 1.00 25.02 H new ATOM 0 HG2 ARG A 54 -18.843 17.164 -2.357 1.00 21.22 H new ATOM 0 HG3 ARG A 54 -18.196 16.755 -3.934 1.00 21.22 H new ATOM 0 HD2 ARG A 54 -19.688 18.302 -5.048 1.00 32.45 H new ATOM 0 HD3 ARG A 54 -20.628 18.548 -3.590 1.00 32.45 H new ATOM 0 HE ARG A 54 -18.908 19.920 -2.680 1.00 71.33 H new ATOM 0 HH11 ARG A 54 -17.963 18.626 -5.838 1.00 42.14 H new ATOM 0 HH12 ARG A 54 -16.695 19.834 -6.067 1.00 42.14 H new ATOM 0 HH21 ARG A 54 -17.267 21.461 -3.026 1.00 2.45 H new ATOM 0 HH22 ARG A 54 -16.309 21.405 -4.509 1.00 2.45 H new ATOM 669 N LEU A 55 -20.541 13.202 -4.594 1.00 25.21 N ATOM 670 CA LEU A 55 -20.207 11.796 -4.674 1.00 44.23 C ATOM 671 C LEU A 55 -20.387 11.292 -6.117 1.00 52.04 C ATOM 672 O LEU A 55 -19.500 10.660 -6.684 1.00 74.45 O ATOM 673 CB LEU A 55 -21.150 11.045 -3.698 1.00 72.21 C ATOM 674 CG LEU A 55 -20.785 9.620 -3.249 1.00 64.23 C ATOM 675 CD1 LEU A 55 -19.310 9.496 -2.956 1.00 62.23 C ATOM 676 CD2 LEU A 55 -21.527 9.320 -1.965 1.00 12.50 C ATOM 0 H LEU A 55 -21.321 13.384 -3.962 1.00 25.21 H new ATOM 0 HA LEU A 55 -19.167 11.622 -4.399 1.00 44.23 H new ATOM 0 HB2 LEU A 55 -21.248 11.656 -2.801 1.00 72.21 H new ATOM 0 HB3 LEU A 55 -22.135 11.000 -4.163 1.00 72.21 H new ATOM 0 HG LEU A 55 -21.052 8.931 -4.050 1.00 64.23 H new ATOM 0 HD11 LEU A 55 -19.086 8.477 -2.641 1.00 62.23 H new ATOM 0 HD12 LEU A 55 -18.740 9.732 -3.854 1.00 62.23 H new ATOM 0 HD13 LEU A 55 -19.038 10.189 -2.160 1.00 62.23 H new ATOM 0 HD21 LEU A 55 -21.281 8.312 -1.630 1.00 12.50 H new ATOM 0 HD22 LEU A 55 -21.235 10.039 -1.199 1.00 12.50 H new ATOM 0 HD23 LEU A 55 -22.600 9.393 -2.140 1.00 12.50 H new ATOM 688 N MET A 56 -21.508 11.639 -6.720 1.00 54.14 N ATOM 689 CA MET A 56 -21.836 11.189 -8.062 1.00 63.15 C ATOM 690 C MET A 56 -21.027 11.924 -9.125 1.00 54.14 C ATOM 691 O MET A 56 -20.792 11.392 -10.216 1.00 53.42 O ATOM 692 CB MET A 56 -23.338 11.311 -8.317 1.00 3.22 C ATOM 693 CG MET A 56 -23.797 10.775 -9.665 1.00 13.53 C ATOM 694 SD MET A 56 -25.589 10.737 -9.819 1.00 70.22 S ATOM 695 CE MET A 56 -26.002 9.581 -8.505 1.00 1.21 C ATOM 0 H MET A 56 -22.216 12.239 -6.296 1.00 54.14 H new ATOM 0 HA MET A 56 -21.563 10.136 -8.134 1.00 63.15 H new ATOM 0 HB2 MET A 56 -23.871 10.780 -7.529 1.00 3.22 H new ATOM 0 HB3 MET A 56 -23.622 12.361 -8.242 1.00 3.22 H new ATOM 0 HG2 MET A 56 -23.381 11.395 -10.459 1.00 13.53 H new ATOM 0 HG3 MET A 56 -23.402 9.769 -9.805 1.00 13.53 H new ATOM 0 HE1 MET A 56 -26.941 9.080 -8.742 1.00 1.21 H new ATOM 0 HE2 MET A 56 -25.209 8.839 -8.410 1.00 1.21 H new ATOM 0 HE3 MET A 56 -26.107 10.122 -7.564 1.00 1.21 H new ATOM 705 N ARG A 57 -20.578 13.135 -8.811 1.00 45.31 N ATOM 706 CA ARG A 57 -19.747 13.880 -9.728 1.00 13.11 C ATOM 707 C ARG A 57 -18.433 13.141 -9.927 1.00 50.05 C ATOM 708 O ARG A 57 -17.895 13.075 -11.040 1.00 64.15 O ATOM 709 CB ARG A 57 -19.467 15.319 -9.253 1.00 74.32 C ATOM 710 CG ARG A 57 -20.684 16.231 -9.251 1.00 73.21 C ATOM 711 CD ARG A 57 -21.316 16.347 -10.637 1.00 23.55 C ATOM 712 NE ARG A 57 -22.501 17.224 -10.632 1.00 13.41 N ATOM 713 CZ ARG A 57 -23.391 17.336 -11.639 1.00 75.22 C ATOM 714 NH1 ARG A 57 -23.233 16.618 -12.760 1.00 71.14 N1+ ATOM 715 NH2 ARG A 57 -24.441 18.160 -11.517 1.00 31.41 N ATOM 0 H ARG A 57 -20.778 13.612 -7.932 1.00 45.31 H new ATOM 0 HA ARG A 57 -20.292 13.959 -10.669 1.00 13.11 H new ATOM 0 HB2 ARG A 57 -19.055 15.281 -8.244 1.00 74.32 H new ATOM 0 HB3 ARG A 57 -18.702 15.757 -9.894 1.00 74.32 H new ATOM 0 HG2 ARG A 57 -21.423 15.848 -8.547 1.00 73.21 H new ATOM 0 HG3 ARG A 57 -20.394 17.222 -8.901 1.00 73.21 H new ATOM 0 HD2 ARG A 57 -20.580 16.737 -11.340 1.00 23.55 H new ATOM 0 HD3 ARG A 57 -21.600 15.356 -10.990 1.00 23.55 H new ATOM 0 HE ARG A 57 -22.661 17.792 -9.800 1.00 13.41 H new ATOM 0 HH11 ARG A 57 -22.438 15.985 -12.853 1.00 71.14 H new ATOM 0 HH12 ARG A 57 -23.907 16.704 -13.520 1.00 71.14 H new ATOM 0 HH21 ARG A 57 -24.567 18.702 -10.662 1.00 31.41 H new ATOM 0 HH22 ARG A 57 -25.114 18.245 -12.279 1.00 31.41 H new ATOM 729 N TRP A 58 -17.960 12.531 -8.841 1.00 30.23 N ATOM 730 CA TRP A 58 -16.733 11.763 -8.851 1.00 25.24 C ATOM 731 C TRP A 58 -16.836 10.538 -9.725 1.00 41.12 C ATOM 732 O TRP A 58 -15.853 10.121 -10.320 1.00 52.22 O ATOM 733 CB TRP A 58 -16.297 11.361 -7.447 1.00 31.34 C ATOM 734 CG TRP A 58 -15.801 12.488 -6.606 1.00 25.42 C ATOM 735 CD1 TRP A 58 -16.214 12.823 -5.356 1.00 15.51 C ATOM 736 CD2 TRP A 58 -14.794 13.435 -6.963 1.00 61.22 C ATOM 737 NE1 TRP A 58 -15.496 13.897 -4.899 1.00 52.31 N ATOM 738 CE2 TRP A 58 -14.620 14.291 -5.876 1.00 61.10 C ATOM 739 CE3 TRP A 58 -14.013 13.631 -8.097 1.00 35.42 C ATOM 740 CZ2 TRP A 58 -13.691 15.323 -5.897 1.00 44.53 C ATOM 741 CZ3 TRP A 58 -13.108 14.655 -8.112 1.00 51.42 C ATOM 742 CH2 TRP A 58 -12.953 15.481 -7.022 1.00 33.03 C ATOM 0 H TRP A 58 -18.423 12.560 -7.933 1.00 30.23 H new ATOM 0 HA TRP A 58 -15.973 12.421 -9.272 1.00 25.24 H new ATOM 0 HB2 TRP A 58 -17.139 10.889 -6.940 1.00 31.34 H new ATOM 0 HB3 TRP A 58 -15.511 10.610 -7.526 1.00 31.34 H new ATOM 0 HD1 TRP A 58 -16.993 12.318 -4.804 1.00 15.51 H new ATOM 0 HE1 TRP A 58 -15.597 14.332 -3.982 1.00 52.31 H new ATOM 0 HE3 TRP A 58 -14.120 12.983 -8.954 1.00 35.42 H new ATOM 0 HZ2 TRP A 58 -13.561 15.976 -5.047 1.00 44.53 H new ATOM 0 HZ3 TRP A 58 -12.505 14.819 -8.993 1.00 51.42 H new ATOM 0 HH2 TRP A 58 -12.224 16.276 -7.065 1.00 33.03 H new ATOM 753 N LEU A 59 -18.037 9.994 -9.847 1.00 12.24 N ATOM 754 CA LEU A 59 -18.274 8.799 -10.654 1.00 1.43 C ATOM 755 C LEU A 59 -17.884 9.051 -12.123 1.00 71.44 C ATOM 756 O LEU A 59 -17.519 8.128 -12.860 1.00 2.23 O ATOM 757 CB LEU A 59 -19.746 8.366 -10.544 1.00 31.04 C ATOM 758 CG LEU A 59 -20.135 7.064 -11.248 1.00 33.21 C ATOM 759 CD1 LEU A 59 -19.372 5.878 -10.670 1.00 11.00 C ATOM 760 CD2 LEU A 59 -21.635 6.835 -11.150 1.00 0.23 C ATOM 0 H LEU A 59 -18.873 10.363 -9.394 1.00 12.24 H new ATOM 0 HA LEU A 59 -17.649 7.991 -10.273 1.00 1.43 H new ATOM 0 HB2 LEU A 59 -19.994 8.268 -9.487 1.00 31.04 H new ATOM 0 HB3 LEU A 59 -20.367 9.168 -10.944 1.00 31.04 H new ATOM 0 HG LEU A 59 -19.865 7.155 -12.300 1.00 33.21 H new ATOM 0 HD11 LEU A 59 -19.669 4.967 -11.189 1.00 11.00 H new ATOM 0 HD12 LEU A 59 -18.301 6.037 -10.798 1.00 11.00 H new ATOM 0 HD13 LEU A 59 -19.600 5.781 -9.608 1.00 11.00 H new ATOM 0 HD21 LEU A 59 -21.895 5.905 -11.656 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -21.926 6.771 -10.101 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -22.161 7.664 -11.623 1.00 0.23 H new ATOM 772 N HIS A 60 -17.954 10.298 -12.540 1.00 52.33 N ATOM 773 CA HIS A 60 -17.545 10.668 -13.879 1.00 63.10 C ATOM 774 C HIS A 60 -16.015 10.816 -13.913 1.00 33.35 C ATOM 775 O HIS A 60 -15.353 10.340 -14.831 1.00 1.54 O ATOM 776 CB HIS A 60 -18.231 11.982 -14.300 1.00 14.31 C ATOM 777 CG HIS A 60 -17.967 12.394 -15.724 1.00 12.31 C ATOM 778 ND1 HIS A 60 -17.126 13.422 -16.090 1.00 70.53 N ATOM 779 CD2 HIS A 60 -18.475 11.901 -16.878 1.00 14.23 C ATOM 780 CE1 HIS A 60 -17.150 13.517 -17.424 1.00 74.11 C ATOM 781 NE2 HIS A 60 -17.955 12.615 -17.948 1.00 71.21 N ATOM 0 H HIS A 60 -18.291 11.074 -11.970 1.00 52.33 H new ATOM 0 HA HIS A 60 -17.844 9.892 -14.583 1.00 63.10 H new ATOM 0 HB2 HIS A 60 -19.307 11.877 -14.159 1.00 14.31 H new ATOM 0 HB3 HIS A 60 -17.898 12.780 -13.636 1.00 14.31 H new ATOM 0 HD2 HIS A 60 -19.174 11.082 -16.954 1.00 14.23 H new ATOM 0 HE1 HIS A 60 -16.584 14.238 -17.996 1.00 74.11 H new ATOM 0 HE2 HIS A 60 -18.155 12.471 -18.938 1.00 71.21 H new ATOM 789 N TRP A 61 -15.479 11.412 -12.855 1.00 53.35 N ATOM 790 CA TRP A 61 -14.052 11.697 -12.719 1.00 33.34 C ATOM 791 C TRP A 61 -13.243 10.387 -12.693 1.00 43.11 C ATOM 792 O TRP A 61 -12.186 10.304 -13.288 1.00 75.05 O ATOM 793 CB TRP A 61 -13.826 12.499 -11.425 1.00 51.33 C ATOM 794 CG TRP A 61 -12.463 13.146 -11.263 1.00 62.02 C ATOM 795 CD1 TRP A 61 -12.162 14.470 -11.451 1.00 64.12 C ATOM 796 CD2 TRP A 61 -11.236 12.517 -10.865 1.00 2.20 C ATOM 797 NE1 TRP A 61 -10.832 14.700 -11.185 1.00 43.32 N ATOM 798 CE2 TRP A 61 -10.245 13.517 -10.836 1.00 64.04 C ATOM 799 CE3 TRP A 61 -10.880 11.209 -10.532 1.00 22.30 C ATOM 800 CZ2 TRP A 61 -8.937 13.245 -10.493 1.00 3.45 C ATOM 801 CZ3 TRP A 61 -9.581 10.946 -10.193 1.00 4.51 C ATOM 802 CH2 TRP A 61 -8.624 11.961 -10.177 1.00 73.13 C ATOM 0 H TRP A 61 -16.031 11.717 -12.053 1.00 53.35 H new ATOM 0 HA TRP A 61 -13.712 12.283 -13.573 1.00 33.34 H new ATOM 0 HB2 TRP A 61 -14.584 13.280 -11.370 1.00 51.33 H new ATOM 0 HB3 TRP A 61 -13.992 11.834 -10.577 1.00 51.33 H new ATOM 0 HD1 TRP A 61 -12.868 15.225 -11.763 1.00 64.12 H new ATOM 0 HE1 TRP A 61 -10.362 15.604 -11.239 1.00 43.32 H new ATOM 0 HE3 TRP A 61 -11.617 10.419 -10.542 1.00 22.30 H new ATOM 0 HZ2 TRP A 61 -8.189 14.024 -10.476 1.00 3.45 H new ATOM 0 HZ3 TRP A 61 -9.292 9.938 -9.934 1.00 4.51 H new ATOM 0 HH2 TRP A 61 -7.607 11.720 -9.906 1.00 73.13 H new ATOM 813 N PHE A 62 -13.747 9.378 -11.991 1.00 21.04 N ATOM 814 CA PHE A 62 -13.082 8.070 -11.938 1.00 75.23 C ATOM 815 C PHE A 62 -12.987 7.452 -13.313 1.00 22.20 C ATOM 816 O PHE A 62 -11.917 7.066 -13.777 1.00 22.30 O ATOM 817 CB PHE A 62 -13.834 7.086 -11.036 1.00 23.04 C ATOM 818 CG PHE A 62 -13.749 7.364 -9.577 1.00 72.40 C ATOM 819 CD1 PHE A 62 -12.566 7.188 -8.916 1.00 71.04 C ATOM 820 CD2 PHE A 62 -14.856 7.758 -8.861 1.00 64.43 C ATOM 821 CE1 PHE A 62 -12.478 7.400 -7.560 1.00 41.33 C ATOM 822 CE2 PHE A 62 -14.781 7.981 -7.510 1.00 45.10 C ATOM 823 CZ PHE A 62 -13.589 7.799 -6.860 1.00 51.52 C ATOM 0 H PHE A 62 -14.610 9.435 -11.451 1.00 21.04 H new ATOM 0 HA PHE A 62 -12.086 8.252 -11.534 1.00 75.23 H new ATOM 0 HB2 PHE A 62 -14.884 7.083 -11.327 1.00 23.04 H new ATOM 0 HB3 PHE A 62 -13.449 6.083 -11.221 1.00 23.04 H new ATOM 0 HD1 PHE A 62 -11.689 6.879 -9.465 1.00 71.04 H new ATOM 0 HD2 PHE A 62 -15.798 7.894 -9.371 1.00 64.43 H new ATOM 0 HE1 PHE A 62 -11.538 7.253 -7.048 1.00 41.33 H new ATOM 0 HE2 PHE A 62 -15.656 8.298 -6.962 1.00 45.10 H new ATOM 0 HZ PHE A 62 -13.523 7.970 -5.796 1.00 51.52 H new ATOM 833 N ARG A 63 -14.104 7.405 -13.979 1.00 71.10 N ATOM 834 CA ARG A 63 -14.210 6.734 -15.249 1.00 24.42 C ATOM 835 C ARG A 63 -13.430 7.443 -16.380 1.00 1.15 C ATOM 836 O ARG A 63 -13.221 6.863 -17.434 1.00 40.42 O ATOM 837 CB ARG A 63 -15.670 6.405 -15.583 1.00 30.33 C ATOM 838 CG ARG A 63 -16.302 5.422 -14.593 1.00 61.02 C ATOM 839 CD ARG A 63 -17.781 5.188 -14.883 1.00 64.40 C ATOM 840 NE ARG A 63 -18.579 6.408 -14.683 1.00 13.52 N ATOM 841 CZ ARG A 63 -19.837 6.604 -15.105 1.00 53.44 C ATOM 842 NH1 ARG A 63 -20.498 5.627 -15.744 1.00 13.00 N1+ ATOM 843 NH2 ARG A 63 -20.441 7.773 -14.864 1.00 72.53 N ATOM 0 H ARG A 63 -14.973 7.832 -13.658 1.00 71.10 H new ATOM 0 HA ARG A 63 -13.704 5.773 -15.158 1.00 24.42 H new ATOM 0 HB2 ARG A 63 -16.252 7.327 -15.593 1.00 30.33 H new ATOM 0 HB3 ARG A 63 -15.722 5.985 -16.587 1.00 30.33 H new ATOM 0 HG2 ARG A 63 -15.770 4.472 -14.636 1.00 61.02 H new ATOM 0 HG3 ARG A 63 -16.188 5.805 -13.579 1.00 61.02 H new ATOM 0 HD2 ARG A 63 -17.899 4.841 -15.910 1.00 64.40 H new ATOM 0 HD3 ARG A 63 -18.158 4.397 -14.234 1.00 64.40 H new ATOM 0 HE ARG A 63 -18.135 7.175 -14.177 1.00 13.52 H new ATOM 0 HH11 ARG A 63 -20.044 4.729 -15.911 1.00 13.00 H new ATOM 0 HH12 ARG A 63 -21.455 5.782 -16.062 1.00 13.00 H new ATOM 0 HH21 ARG A 63 -19.945 8.509 -14.362 1.00 72.53 H new ATOM 0 HH22 ARG A 63 -21.398 7.928 -15.182 1.00 72.53 H new ATOM 857 N LYS A 64 -13.010 8.690 -16.109 1.00 11.24 N ATOM 858 CA LYS A 64 -12.132 9.521 -16.982 1.00 52.14 C ATOM 859 C LYS A 64 -10.933 8.726 -17.542 1.00 21.24 C ATOM 860 O LYS A 64 -10.665 8.759 -18.730 1.00 53.52 O ATOM 861 CB LYS A 64 -11.624 10.713 -16.136 1.00 4.42 C ATOM 862 CG LYS A 64 -10.433 11.511 -16.679 1.00 55.45 C ATOM 863 CD LYS A 64 -10.021 12.647 -15.708 1.00 32.31 C ATOM 864 CE LYS A 64 -9.598 12.143 -14.300 1.00 63.43 C ATOM 865 NZ LYS A 64 -8.325 11.376 -14.293 1.00 74.50 N1+ ATOM 0 H LYS A 64 -13.275 9.173 -15.250 1.00 11.24 H new ATOM 0 HA LYS A 64 -12.709 9.859 -17.843 1.00 52.14 H new ATOM 0 HB2 LYS A 64 -12.455 11.404 -15.995 1.00 4.42 H new ATOM 0 HB3 LYS A 64 -11.354 10.335 -15.150 1.00 4.42 H new ATOM 0 HG2 LYS A 64 -9.587 10.842 -16.838 1.00 55.45 H new ATOM 0 HG3 LYS A 64 -10.690 11.936 -17.649 1.00 55.45 H new ATOM 0 HD2 LYS A 64 -9.195 13.206 -16.147 1.00 32.31 H new ATOM 0 HD3 LYS A 64 -10.855 13.341 -15.600 1.00 32.31 H new ATOM 0 HE2 LYS A 64 -9.499 12.999 -13.633 1.00 63.43 H new ATOM 0 HE3 LYS A 64 -10.392 11.515 -13.896 1.00 63.43 H new ATOM 0 HZ1 LYS A 64 -8.319 10.721 -13.485 1.00 74.50 H new ATOM 0 HZ2 LYS A 64 -8.241 10.835 -15.177 1.00 74.50 H new ATOM 0 HZ3 LYS A 64 -7.524 12.034 -14.212 1.00 74.50 H new ATOM 879 N ASN A 65 -10.238 8.006 -16.676 1.00 72.11 N ATOM 880 CA ASN A 65 -9.051 7.225 -17.102 1.00 25.30 C ATOM 881 C ASN A 65 -9.428 5.800 -17.355 1.00 60.13 C ATOM 882 O ASN A 65 -8.573 4.937 -17.496 1.00 54.23 O ATOM 883 CB ASN A 65 -7.951 7.240 -16.038 1.00 45.14 C ATOM 884 CG ASN A 65 -7.234 8.555 -15.885 1.00 60.52 C ATOM 885 OD1 ASN A 65 -7.771 9.616 -16.189 1.00 54.33 O ATOM 886 ND2 ASN A 65 -6.039 8.505 -15.362 1.00 10.41 N ATOM 0 H ASN A 65 -10.458 7.936 -15.683 1.00 72.11 H new ATOM 0 HA ASN A 65 -8.677 7.692 -18.013 1.00 25.30 H new ATOM 0 HB2 ASN A 65 -8.391 6.969 -15.078 1.00 45.14 H new ATOM 0 HB3 ASN A 65 -7.219 6.470 -16.282 1.00 45.14 H new ATOM 0 HD21 ASN A 65 -5.520 9.367 -15.193 1.00 10.41 H new ATOM 0 HD22 ASN A 65 -5.625 7.604 -15.122 1.00 10.41 H new ATOM 893 N GLY A 66 -10.705 5.553 -17.414 1.00 13.54 N ATOM 894 CA GLY A 66 -11.169 4.221 -17.583 1.00 5.31 C ATOM 895 C GLY A 66 -11.210 3.480 -16.271 1.00 1.13 C ATOM 896 O GLY A 66 -11.303 2.257 -16.255 1.00 22.01 O ATOM 0 H GLY A 66 -11.437 6.261 -17.347 1.00 13.54 H new ATOM 0 HA2 GLY A 66 -12.165 4.235 -18.026 1.00 5.31 H new ATOM 0 HA3 GLY A 66 -10.518 3.693 -18.280 1.00 5.31 H new ATOM 900 N TYR A 67 -11.170 4.219 -15.148 1.00 21.54 N ATOM 901 CA TYR A 67 -11.216 3.577 -13.848 1.00 62.10 C ATOM 902 C TYR A 67 -12.530 2.925 -13.614 1.00 33.14 C ATOM 903 O TYR A 67 -13.535 3.217 -14.300 1.00 12.54 O ATOM 904 CB TYR A 67 -10.805 4.469 -12.686 1.00 70.42 C ATOM 905 CG TYR A 67 -9.376 4.894 -12.771 1.00 51.03 C ATOM 906 CD1 TYR A 67 -8.381 3.962 -13.009 1.00 53.51 C ATOM 907 CD2 TYR A 67 -9.017 6.213 -12.619 1.00 60.44 C ATOM 908 CE1 TYR A 67 -7.075 4.336 -13.108 1.00 5.13 C ATOM 909 CE2 TYR A 67 -7.698 6.594 -12.708 1.00 25.25 C ATOM 910 CZ TYR A 67 -6.732 5.646 -12.960 1.00 63.15 C ATOM 911 OH TYR A 67 -5.420 6.014 -13.074 1.00 22.10 O ATOM 0 H TYR A 67 -11.107 5.237 -15.125 1.00 21.54 H new ATOM 0 HA TYR A 67 -10.450 2.802 -13.881 1.00 62.10 H new ATOM 0 HB2 TYR A 67 -11.443 5.352 -12.667 1.00 70.42 H new ATOM 0 HB3 TYR A 67 -10.968 3.937 -11.748 1.00 70.42 H new ATOM 0 HD1 TYR A 67 -8.645 2.920 -13.118 1.00 53.51 H new ATOM 0 HD2 TYR A 67 -9.777 6.956 -12.428 1.00 60.44 H new ATOM 0 HE1 TYR A 67 -6.313 3.596 -13.303 1.00 5.13 H new ATOM 0 HE2 TYR A 67 -7.422 7.630 -12.581 1.00 25.25 H new ATOM 0 HH TYR A 67 -4.994 5.984 -12.192 1.00 22.10 H new ATOM 921 N ARG A 68 -12.571 2.092 -12.641 1.00 31.14 N ATOM 922 CA ARG A 68 -13.687 1.167 -12.534 1.00 61.02 C ATOM 923 C ARG A 68 -14.181 1.070 -11.126 1.00 42.34 C ATOM 924 O ARG A 68 -13.525 0.433 -10.288 1.00 50.31 O ATOM 925 CB ARG A 68 -13.276 -0.266 -12.976 1.00 53.31 C ATOM 926 CG ARG A 68 -12.692 -0.473 -14.375 1.00 34.01 C ATOM 927 CD ARG A 68 -13.729 -0.360 -15.464 1.00 64.43 C ATOM 928 NE ARG A 68 -14.036 1.026 -15.833 1.00 43.22 N ATOM 929 CZ ARG A 68 -14.487 1.431 -17.029 1.00 2.11 C ATOM 930 NH1 ARG A 68 -14.793 0.536 -17.982 1.00 71.24 N1+ ATOM 931 NH2 ARG A 68 -14.617 2.741 -17.270 1.00 51.24 N ATOM 0 H ARG A 68 -11.867 2.015 -11.907 1.00 31.14 H new ATOM 0 HA ARG A 68 -14.469 1.557 -13.185 1.00 61.02 H new ATOM 0 HB2 ARG A 68 -12.545 -0.635 -12.257 1.00 53.31 H new ATOM 0 HB3 ARG A 68 -14.157 -0.902 -12.890 1.00 53.31 H new ATOM 0 HG2 ARG A 68 -11.908 0.264 -14.549 1.00 34.01 H new ATOM 0 HG3 ARG A 68 -12.223 -1.456 -14.426 1.00 34.01 H new ATOM 0 HD2 ARG A 68 -13.378 -0.894 -16.347 1.00 64.43 H new ATOM 0 HD3 ARG A 68 -14.645 -0.853 -15.136 1.00 64.43 H new ATOM 0 HE ARG A 68 -13.895 1.742 -15.120 1.00 43.22 H new ATOM 0 HH11 ARG A 68 -14.683 -0.461 -17.799 1.00 71.24 H new ATOM 0 HH12 ARG A 68 -15.135 0.854 -18.889 1.00 71.24 H new ATOM 0 HH21 ARG A 68 -14.374 3.419 -16.548 1.00 51.24 H new ATOM 0 HH22 ARG A 68 -14.959 3.061 -18.176 1.00 51.24 H new ATOM 945 N LEU A 69 -15.286 1.703 -10.846 1.00 24.12 N ATOM 946 CA LEU A 69 -15.935 1.529 -9.568 1.00 34.13 C ATOM 947 C LEU A 69 -17.373 1.929 -9.641 1.00 64.13 C ATOM 948 O LEU A 69 -17.758 2.752 -10.491 1.00 20.02 O ATOM 949 CB LEU A 69 -15.172 2.209 -8.387 1.00 4.21 C ATOM 950 CG LEU A 69 -14.908 3.727 -8.437 1.00 22.33 C ATOM 951 CD1 LEU A 69 -16.170 4.543 -8.171 1.00 11.12 C ATOM 952 CD2 LEU A 69 -13.819 4.090 -7.448 1.00 34.34 C ATOM 0 H LEU A 69 -15.759 2.345 -11.482 1.00 24.12 H new ATOM 0 HA LEU A 69 -15.904 0.464 -9.338 1.00 34.13 H new ATOM 0 HB2 LEU A 69 -15.730 2.003 -7.474 1.00 4.21 H new ATOM 0 HB3 LEU A 69 -14.207 1.711 -8.290 1.00 4.21 H new ATOM 0 HG LEU A 69 -14.580 3.974 -9.447 1.00 22.33 H new ATOM 0 HD11 LEU A 69 -15.932 5.606 -8.217 1.00 11.12 H new ATOM 0 HD12 LEU A 69 -16.922 4.306 -8.924 1.00 11.12 H new ATOM 0 HD13 LEU A 69 -16.558 4.300 -7.182 1.00 11.12 H new ATOM 0 HD21 LEU A 69 -13.636 5.164 -7.487 1.00 34.34 H new ATOM 0 HD22 LEU A 69 -14.133 3.812 -6.442 1.00 34.34 H new ATOM 0 HD23 LEU A 69 -12.903 3.556 -7.703 1.00 34.34 H new ATOM 964 N THR A 70 -18.149 1.334 -8.811 1.00 52.22 N ATOM 965 CA THR A 70 -19.517 1.636 -8.692 1.00 53.01 C ATOM 966 C THR A 70 -19.629 2.598 -7.530 1.00 43.41 C ATOM 967 O THR A 70 -18.885 2.493 -6.552 1.00 35.42 O ATOM 968 CB THR A 70 -20.301 0.370 -8.348 1.00 20.14 C ATOM 969 OG1 THR A 70 -19.717 -0.745 -9.023 1.00 71.21 O ATOM 970 CG2 THR A 70 -21.757 0.504 -8.782 1.00 51.42 C ATOM 0 H THR A 70 -17.833 0.600 -8.177 1.00 52.22 H new ATOM 0 HA THR A 70 -19.911 2.052 -9.619 1.00 53.01 H new ATOM 0 HB THR A 70 -20.265 0.221 -7.269 1.00 20.14 H new ATOM 0 HG1 THR A 70 -18.910 -1.030 -8.546 1.00 71.21 H new ATOM 0 HG21 THR A 70 -22.298 -0.408 -8.528 1.00 51.42 H new ATOM 0 HG22 THR A 70 -22.213 1.351 -8.269 1.00 51.42 H new ATOM 0 HG23 THR A 70 -21.802 0.665 -9.859 1.00 51.42 H new ATOM 978 N LEU A 71 -20.548 3.502 -7.594 1.00 3.02 N ATOM 979 CA LEU A 71 -20.651 4.505 -6.557 1.00 75.24 C ATOM 980 C LEU A 71 -21.199 3.894 -5.280 1.00 73.30 C ATOM 981 O LEU A 71 -20.916 4.358 -4.190 1.00 25.24 O ATOM 982 CB LEU A 71 -21.536 5.620 -6.994 1.00 41.25 C ATOM 983 CG LEU A 71 -21.434 6.898 -6.199 1.00 11.55 C ATOM 984 CD1 LEU A 71 -20.078 7.474 -6.408 1.00 72.41 C ATOM 985 CD2 LEU A 71 -22.508 7.879 -6.619 1.00 52.22 C ATOM 0 H LEU A 71 -21.238 3.578 -8.341 1.00 3.02 H new ATOM 0 HA LEU A 71 -19.652 4.897 -6.366 1.00 75.24 H new ATOM 0 HB2 LEU A 71 -21.314 5.846 -8.037 1.00 41.25 H new ATOM 0 HB3 LEU A 71 -22.569 5.274 -6.956 1.00 41.25 H new ATOM 0 HG LEU A 71 -21.584 6.687 -5.140 1.00 11.55 H new ATOM 0 HD11 LEU A 71 -19.985 8.400 -5.841 1.00 72.41 H new ATOM 0 HD12 LEU A 71 -19.324 6.763 -6.069 1.00 72.41 H new ATOM 0 HD13 LEU A 71 -19.930 7.682 -7.468 1.00 72.41 H new ATOM 0 HD21 LEU A 71 -22.415 8.793 -6.033 1.00 52.22 H new ATOM 0 HD22 LEU A 71 -22.393 8.113 -7.677 1.00 52.22 H new ATOM 0 HD23 LEU A 71 -23.490 7.438 -6.450 1.00 52.22 H new ATOM 997 N ARG A 72 -21.952 2.801 -5.428 1.00 71.40 N ATOM 998 CA ARG A 72 -22.517 2.090 -4.284 1.00 70.22 C ATOM 999 C ARG A 72 -21.399 1.532 -3.396 1.00 10.20 C ATOM 1000 O ARG A 72 -21.602 1.299 -2.197 1.00 34.41 O ATOM 1001 CB ARG A 72 -23.493 0.972 -4.746 1.00 53.31 C ATOM 1002 CG ARG A 72 -24.081 0.116 -3.624 1.00 52.12 C ATOM 1003 CD ARG A 72 -24.763 0.984 -2.603 1.00 2.34 C ATOM 1004 NE ARG A 72 -25.256 0.228 -1.433 1.00 11.51 N ATOM 1005 CZ ARG A 72 -24.724 0.310 -0.187 1.00 30.31 C ATOM 1006 NH1 ARG A 72 -23.522 0.866 -0.007 1.00 13.22 N1+ ATOM 1007 NH2 ARG A 72 -25.361 -0.241 0.856 1.00 54.45 N ATOM 0 H ARG A 72 -22.184 2.390 -6.332 1.00 71.40 H new ATOM 0 HA ARG A 72 -23.096 2.797 -3.690 1.00 70.22 H new ATOM 0 HB2 ARG A 72 -24.313 1.433 -5.297 1.00 53.31 H new ATOM 0 HB3 ARG A 72 -22.968 0.319 -5.443 1.00 53.31 H new ATOM 0 HG2 ARG A 72 -24.794 -0.597 -4.038 1.00 52.12 H new ATOM 0 HG3 ARG A 72 -23.290 -0.463 -3.148 1.00 52.12 H new ATOM 0 HD2 ARG A 72 -24.067 1.751 -2.265 1.00 2.34 H new ATOM 0 HD3 ARG A 72 -25.600 1.499 -3.074 1.00 2.34 H new ATOM 0 HE ARG A 72 -26.050 -0.398 -1.571 1.00 11.51 H new ATOM 0 HH11 ARG A 72 -23.003 1.229 -0.807 1.00 13.22 H new ATOM 0 HH12 ARG A 72 -23.123 0.927 0.930 1.00 13.22 H new ATOM 0 HH21 ARG A 72 -26.248 -0.724 0.715 1.00 54.45 H new ATOM 0 HH22 ARG A 72 -24.958 -0.178 1.791 1.00 54.45 H new ATOM 1021 N GLU A 73 -20.217 1.408 -3.974 1.00 31.42 N ATOM 1022 CA GLU A 73 -19.054 0.891 -3.251 1.00 44.34 C ATOM 1023 C GLU A 73 -18.514 1.974 -2.335 1.00 24.22 C ATOM 1024 O GLU A 73 -18.041 1.708 -1.230 1.00 41.21 O ATOM 1025 CB GLU A 73 -17.970 0.422 -4.222 1.00 23.44 C ATOM 1026 CG GLU A 73 -18.401 -0.736 -5.099 1.00 1.14 C ATOM 1027 CD GLU A 73 -17.363 -1.118 -6.141 1.00 1.44 C ATOM 1028 OE1 GLU A 73 -17.502 -0.702 -7.305 1.00 71.03 O ATOM 1029 OE2 GLU A 73 -16.390 -1.822 -5.817 1.00 61.24 O1- ATOM 0 H GLU A 73 -20.031 1.658 -4.945 1.00 31.42 H new ATOM 0 HA GLU A 73 -19.360 0.030 -2.656 1.00 44.34 H new ATOM 0 HB2 GLU A 73 -17.676 1.258 -4.857 1.00 23.44 H new ATOM 0 HB3 GLU A 73 -17.088 0.128 -3.654 1.00 23.44 H new ATOM 0 HG2 GLU A 73 -18.610 -1.601 -4.470 1.00 1.14 H new ATOM 0 HG3 GLU A 73 -19.332 -0.475 -5.602 1.00 1.14 H new ATOM 1036 N LEU A 74 -18.668 3.210 -2.770 1.00 24.21 N ATOM 1037 CA LEU A 74 -18.211 4.357 -1.993 1.00 45.11 C ATOM 1038 C LEU A 74 -19.168 4.596 -0.826 1.00 32.23 C ATOM 1039 O LEU A 74 -18.811 5.199 0.172 1.00 75.45 O ATOM 1040 CB LEU A 74 -18.091 5.620 -2.863 1.00 64.30 C ATOM 1041 CG LEU A 74 -17.300 5.483 -4.178 1.00 44.22 C ATOM 1042 CD1 LEU A 74 -17.038 6.842 -4.789 1.00 63.33 C ATOM 1043 CD2 LEU A 74 -15.999 4.735 -3.977 1.00 22.52 C ATOM 0 H LEU A 74 -19.107 3.451 -3.659 1.00 24.21 H new ATOM 0 HA LEU A 74 -17.216 4.136 -1.607 1.00 45.11 H new ATOM 0 HB2 LEU A 74 -19.097 5.963 -3.105 1.00 64.30 H new ATOM 0 HB3 LEU A 74 -17.623 6.402 -2.265 1.00 64.30 H new ATOM 0 HG LEU A 74 -17.913 4.901 -4.866 1.00 44.22 H new ATOM 0 HD11 LEU A 74 -16.478 6.722 -5.717 1.00 63.33 H new ATOM 0 HD12 LEU A 74 -17.987 7.336 -4.999 1.00 63.33 H new ATOM 0 HD13 LEU A 74 -16.460 7.449 -4.092 1.00 63.33 H new ATOM 0 HD21 LEU A 74 -15.472 4.660 -4.928 1.00 22.52 H new ATOM 0 HD22 LEU A 74 -15.378 5.271 -3.259 1.00 22.52 H new ATOM 0 HD23 LEU A 74 -16.209 3.735 -3.599 1.00 22.52 H new ATOM 1055 N TYR A 75 -20.392 4.103 -0.977 1.00 53.23 N ATOM 1056 CA TYR A 75 -21.385 4.140 0.095 1.00 54.05 C ATOM 1057 C TYR A 75 -21.248 2.897 0.985 1.00 21.33 C ATOM 1058 O TYR A 75 -22.028 2.703 1.911 1.00 31.14 O ATOM 1059 CB TYR A 75 -22.821 4.134 -0.443 1.00 62.11 C ATOM 1060 CG TYR A 75 -23.342 5.361 -1.146 1.00 73.22 C ATOM 1061 CD1 TYR A 75 -24.052 6.324 -0.443 1.00 33.33 C ATOM 1062 CD2 TYR A 75 -23.200 5.522 -2.510 1.00 42.00 C ATOM 1063 CE1 TYR A 75 -24.603 7.409 -1.083 1.00 62.33 C ATOM 1064 CE2 TYR A 75 -23.735 6.612 -3.158 1.00 21.12 C ATOM 1065 CZ TYR A 75 -24.442 7.548 -2.440 1.00 4.44 C ATOM 1066 OH TYR A 75 -24.991 8.621 -3.079 1.00 53.13 O ATOM 0 H TYR A 75 -20.724 3.669 -1.838 1.00 53.23 H new ATOM 0 HA TYR A 75 -21.201 5.061 0.649 1.00 54.05 H new ATOM 0 HB2 TYR A 75 -22.910 3.296 -1.134 1.00 62.11 H new ATOM 0 HB3 TYR A 75 -23.486 3.928 0.396 1.00 62.11 H new ATOM 0 HD1 TYR A 75 -24.174 6.219 0.625 1.00 33.33 H new ATOM 0 HD2 TYR A 75 -22.660 4.780 -3.078 1.00 42.00 H new ATOM 0 HE1 TYR A 75 -25.158 8.147 -0.523 1.00 62.33 H new ATOM 0 HE2 TYR A 75 -23.601 6.731 -4.223 1.00 21.12 H new ATOM 0 HH TYR A 75 -24.785 8.572 -4.036 1.00 53.13 H new ATOM 1076 N ALA A 76 -20.335 2.011 0.643 1.00 71.11 N ATOM 1077 CA ALA A 76 -20.135 0.804 1.431 1.00 13.45 C ATOM 1078 C ALA A 76 -19.085 1.075 2.472 1.00 22.22 C ATOM 1079 O ALA A 76 -19.287 0.843 3.655 1.00 33.31 O ATOM 1080 CB ALA A 76 -19.746 -0.375 0.546 1.00 55.51 C ATOM 0 H ALA A 76 -19.722 2.099 -0.168 1.00 71.11 H new ATOM 0 HA ALA A 76 -21.069 0.533 1.923 1.00 13.45 H new ATOM 0 HB1 ALA A 76 -19.603 -1.262 1.163 1.00 55.51 H new ATOM 0 HB2 ALA A 76 -20.537 -0.562 -0.180 1.00 55.51 H new ATOM 0 HB3 ALA A 76 -18.819 -0.146 0.021 1.00 55.51 H new ATOM 1086 N ALA A 77 -17.973 1.587 2.023 1.00 44.42 N ATOM 1087 CA ALA A 77 -16.922 1.998 2.901 1.00 25.23 C ATOM 1088 C ALA A 77 -16.562 3.427 2.554 1.00 11.43 C ATOM 1089 O ALA A 77 -15.709 3.674 1.702 1.00 53.22 O ATOM 1090 CB ALA A 77 -15.711 1.077 2.786 1.00 53.21 C ATOM 0 H ALA A 77 -17.773 1.730 1.033 1.00 44.42 H new ATOM 0 HA ALA A 77 -17.256 1.938 3.937 1.00 25.23 H new ATOM 0 HB1 ALA A 77 -14.930 1.417 3.466 1.00 53.21 H new ATOM 0 HB2 ALA A 77 -16.002 0.059 3.047 1.00 53.21 H new ATOM 0 HB3 ALA A 77 -15.335 1.096 1.763 1.00 53.21 H new ATOM 1096 N PRO A 78 -17.244 4.405 3.143 1.00 71.12 N ATOM 1097 CA PRO A 78 -17.020 5.775 2.798 1.00 73.42 C ATOM 1098 C PRO A 78 -15.809 6.354 3.496 1.00 3.43 C ATOM 1099 O PRO A 78 -15.905 6.947 4.557 1.00 54.14 O ATOM 1100 CB PRO A 78 -18.300 6.491 3.236 1.00 14.11 C ATOM 1101 CG PRO A 78 -19.146 5.458 3.932 1.00 1.30 C ATOM 1102 CD PRO A 78 -18.272 4.264 4.174 1.00 44.21 C ATOM 0 HA PRO A 78 -16.813 5.890 1.734 1.00 73.42 H new ATOM 0 HB2 PRO A 78 -18.072 7.321 3.905 1.00 14.11 H new ATOM 0 HB3 PRO A 78 -18.825 6.909 2.377 1.00 14.11 H new ATOM 0 HG2 PRO A 78 -19.534 5.848 4.873 1.00 1.30 H new ATOM 0 HG3 PRO A 78 -20.006 5.188 3.319 1.00 1.30 H new ATOM 0 HD2 PRO A 78 -17.844 4.272 5.176 1.00 44.21 H new ATOM 0 HD3 PRO A 78 -18.824 3.330 4.070 1.00 44.21 H new ATOM 1110 N THR A 79 -14.685 6.167 2.880 1.00 32.14 N ATOM 1111 CA THR A 79 -13.405 6.646 3.329 1.00 44.31 C ATOM 1112 C THR A 79 -12.579 6.803 2.106 1.00 31.34 C ATOM 1113 O THR A 79 -12.851 6.109 1.131 1.00 22.30 O ATOM 1114 CB THR A 79 -12.710 5.613 4.250 1.00 52.34 C ATOM 1115 OG1 THR A 79 -12.845 4.296 3.686 1.00 41.44 O ATOM 1116 CG2 THR A 79 -13.268 5.643 5.655 1.00 2.14 C ATOM 0 H THR A 79 -14.627 5.649 2.003 1.00 32.14 H new ATOM 0 HA THR A 79 -13.525 7.573 3.890 1.00 44.31 H new ATOM 0 HB THR A 79 -11.655 5.877 4.316 1.00 52.34 H new ATOM 0 HG1 THR A 79 -12.403 3.644 4.269 1.00 41.44 H new ATOM 0 HG21 THR A 79 -12.752 4.903 6.267 1.00 2.14 H new ATOM 0 HG22 THR A 79 -13.121 6.634 6.084 1.00 2.14 H new ATOM 0 HG23 THR A 79 -14.333 5.413 5.628 1.00 2.14 H new ATOM 1124 N LEU A 80 -11.604 7.688 2.127 1.00 41.42 N ATOM 1125 CA LEU A 80 -10.724 7.888 0.981 1.00 70.32 C ATOM 1126 C LEU A 80 -10.153 6.579 0.474 1.00 54.33 C ATOM 1127 O LEU A 80 -10.233 6.267 -0.726 1.00 52.44 O ATOM 1128 CB LEU A 80 -9.559 8.702 1.373 1.00 25.13 C ATOM 1129 CG LEU A 80 -9.731 10.193 1.501 1.00 74.13 C ATOM 1130 CD1 LEU A 80 -8.478 10.746 2.082 1.00 43.54 C ATOM 1131 CD2 LEU A 80 -9.950 10.826 0.142 1.00 73.42 C ATOM 0 H LEU A 80 -11.396 8.286 2.927 1.00 41.42 H new ATOM 0 HA LEU A 80 -11.328 8.369 0.212 1.00 70.32 H new ATOM 0 HB2 LEU A 80 -9.201 8.327 2.332 1.00 25.13 H new ATOM 0 HB3 LEU A 80 -8.769 8.521 0.644 1.00 25.13 H new ATOM 0 HG LEU A 80 -10.595 10.406 2.130 1.00 74.13 H new ATOM 0 HD11 LEU A 80 -8.572 11.827 2.187 1.00 43.54 H new ATOM 0 HD12 LEU A 80 -8.303 10.300 3.061 1.00 43.54 H new ATOM 0 HD13 LEU A 80 -7.640 10.517 1.424 1.00 43.54 H new ATOM 0 HD21 LEU A 80 -10.072 11.903 0.258 1.00 73.42 H new ATOM 0 HD22 LEU A 80 -9.090 10.625 -0.496 1.00 73.42 H new ATOM 0 HD23 LEU A 80 -10.846 10.406 -0.315 1.00 73.42 H new ATOM 1143 N ALA A 81 -9.598 5.830 1.424 1.00 12.24 N ATOM 1144 CA ALA A 81 -8.924 4.544 1.207 1.00 33.43 C ATOM 1145 C ALA A 81 -9.681 3.624 0.279 1.00 71.25 C ATOM 1146 O ALA A 81 -9.091 3.020 -0.618 1.00 50.34 O ATOM 1147 CB ALA A 81 -8.690 3.847 2.539 1.00 1.14 C ATOM 0 H ALA A 81 -9.604 6.109 2.405 1.00 12.24 H new ATOM 0 HA ALA A 81 -7.973 4.770 0.725 1.00 33.43 H new ATOM 0 HB1 ALA A 81 -8.190 2.894 2.368 1.00 1.14 H new ATOM 0 HB2 ALA A 81 -8.066 4.476 3.174 1.00 1.14 H new ATOM 0 HB3 ALA A 81 -9.647 3.671 3.031 1.00 1.14 H new ATOM 1153 N ALA A 82 -10.982 3.538 0.465 1.00 24.11 N ATOM 1154 CA ALA A 82 -11.792 2.665 -0.348 1.00 44.32 C ATOM 1155 C ALA A 82 -11.800 3.112 -1.795 1.00 14.23 C ATOM 1156 O ALA A 82 -11.504 2.327 -2.671 1.00 74.12 O ATOM 1157 CB ALA A 82 -13.201 2.567 0.187 1.00 11.22 C ATOM 0 H ALA A 82 -11.497 4.063 1.172 1.00 24.11 H new ATOM 0 HA ALA A 82 -11.345 1.672 -0.304 1.00 44.32 H new ATOM 0 HB1 ALA A 82 -13.786 1.902 -0.448 1.00 11.22 H new ATOM 0 HB2 ALA A 82 -13.178 2.172 1.203 1.00 11.22 H new ATOM 0 HB3 ALA A 82 -13.658 3.557 0.193 1.00 11.22 H new ATOM 1163 N TRP A 83 -12.046 4.403 -2.028 1.00 71.11 N ATOM 1164 CA TRP A 83 -12.170 4.929 -3.399 1.00 31.44 C ATOM 1165 C TRP A 83 -10.810 4.782 -4.091 1.00 63.14 C ATOM 1166 O TRP A 83 -10.724 4.496 -5.286 1.00 35.01 O ATOM 1167 CB TRP A 83 -12.568 6.439 -3.452 1.00 74.10 C ATOM 1168 CG TRP A 83 -13.656 6.946 -2.531 1.00 1.12 C ATOM 1169 CD1 TRP A 83 -14.148 6.373 -1.408 1.00 4.43 C ATOM 1170 CD2 TRP A 83 -14.347 8.190 -2.667 1.00 10.01 C ATOM 1171 NE1 TRP A 83 -15.139 7.145 -0.872 1.00 72.20 N ATOM 1172 CE2 TRP A 83 -15.278 8.267 -1.625 1.00 2.04 C ATOM 1173 CE3 TRP A 83 -14.279 9.239 -3.585 1.00 10.15 C ATOM 1174 CZ2 TRP A 83 -16.134 9.348 -1.472 1.00 2.20 C ATOM 1175 CZ3 TRP A 83 -15.121 10.307 -3.430 1.00 43.53 C ATOM 1176 CH2 TRP A 83 -16.038 10.356 -2.385 1.00 74.44 C ATOM 0 H TRP A 83 -12.163 5.103 -1.295 1.00 71.11 H new ATOM 0 HA TRP A 83 -12.961 4.362 -3.890 1.00 31.44 H new ATOM 0 HB2 TRP A 83 -11.670 7.023 -3.252 1.00 74.10 H new ATOM 0 HB3 TRP A 83 -12.872 6.663 -4.474 1.00 74.10 H new ATOM 0 HD1 TRP A 83 -13.805 5.436 -0.994 1.00 4.43 H new ATOM 0 HE1 TRP A 83 -15.686 6.916 -0.042 1.00 72.20 H new ATOM 0 HE3 TRP A 83 -13.575 9.209 -4.403 1.00 10.15 H new ATOM 0 HZ2 TRP A 83 -16.848 9.389 -0.662 1.00 2.20 H new ATOM 0 HZ3 TRP A 83 -15.073 11.127 -4.132 1.00 43.53 H new ATOM 0 HH2 TRP A 83 -16.689 11.213 -2.295 1.00 74.44 H new ATOM 1187 N ASN A 84 -9.757 4.965 -3.293 1.00 13.55 N ATOM 1188 CA ASN A 84 -8.368 4.867 -3.744 1.00 75.41 C ATOM 1189 C ASN A 84 -8.075 3.432 -4.180 1.00 74.04 C ATOM 1190 O ASN A 84 -7.668 3.177 -5.323 1.00 3.34 O ATOM 1191 CB ASN A 84 -7.418 5.276 -2.584 1.00 21.13 C ATOM 1192 CG ASN A 84 -5.949 5.435 -2.994 1.00 2.21 C ATOM 1193 OD1 ASN A 84 -5.524 6.510 -3.392 1.00 33.34 O ATOM 1194 ND2 ASN A 84 -5.159 4.401 -2.869 1.00 51.21 N ATOM 0 H ASN A 84 -9.846 5.188 -2.302 1.00 13.55 H new ATOM 0 HA ASN A 84 -8.208 5.536 -4.589 1.00 75.41 H new ATOM 0 HB2 ASN A 84 -7.768 6.217 -2.159 1.00 21.13 H new ATOM 0 HB3 ASN A 84 -7.483 4.526 -1.796 1.00 21.13 H new ATOM 0 HD21 ASN A 84 -4.170 4.483 -3.105 1.00 51.21 H new ATOM 0 HD22 ASN A 84 -5.531 3.512 -2.535 1.00 51.21 H new ATOM 1201 N GLN A 85 -8.351 2.488 -3.289 1.00 55.24 N ATOM 1202 CA GLN A 85 -8.072 1.082 -3.548 1.00 22.21 C ATOM 1203 C GLN A 85 -8.978 0.485 -4.591 1.00 54.42 C ATOM 1204 O GLN A 85 -8.587 -0.456 -5.245 1.00 31.50 O ATOM 1205 CB GLN A 85 -8.088 0.231 -2.271 1.00 1.12 C ATOM 1206 CG GLN A 85 -7.007 0.609 -1.274 1.00 52.53 C ATOM 1207 CD GLN A 85 -5.646 0.687 -1.931 1.00 31.23 C ATOM 1208 OE1 GLN A 85 -5.253 1.743 -2.404 1.00 14.04 O ATOM 1209 NE2 GLN A 85 -4.949 -0.406 -1.989 1.00 10.31 N ATOM 0 H GLN A 85 -8.769 2.672 -2.377 1.00 55.24 H new ATOM 0 HA GLN A 85 -7.058 1.064 -3.948 1.00 22.21 H new ATOM 0 HB2 GLN A 85 -9.062 0.328 -1.792 1.00 1.12 H new ATOM 0 HB3 GLN A 85 -7.969 -0.818 -2.542 1.00 1.12 H new ATOM 0 HG2 GLN A 85 -7.249 1.571 -0.821 1.00 52.53 H new ATOM 0 HG3 GLN A 85 -6.981 -0.125 -0.469 1.00 52.53 H new ATOM 0 HE21 GLN A 85 -5.315 -1.266 -1.581 1.00 10.31 H new ATOM 0 HE22 GLN A 85 -4.035 -0.405 -2.443 1.00 10.31 H new ATOM 1218 N LEU A 86 -10.168 1.031 -4.779 1.00 2.12 N ATOM 1219 CA LEU A 86 -11.095 0.513 -5.793 1.00 43.20 C ATOM 1220 C LEU A 86 -10.539 0.622 -7.211 1.00 13.14 C ATOM 1221 O LEU A 86 -10.988 -0.077 -8.120 1.00 23.04 O ATOM 1222 CB LEU A 86 -12.469 1.144 -5.683 1.00 70.33 C ATOM 1223 CG LEU A 86 -13.254 0.776 -4.423 1.00 53.44 C ATOM 1224 CD1 LEU A 86 -14.560 1.495 -4.397 1.00 3.24 C ATOM 1225 CD2 LEU A 86 -13.475 -0.729 -4.322 1.00 72.25 C ATOM 0 H LEU A 86 -10.521 1.829 -4.250 1.00 2.12 H new ATOM 0 HA LEU A 86 -11.208 -0.551 -5.584 1.00 43.20 H new ATOM 0 HB2 LEU A 86 -12.358 2.228 -5.719 1.00 70.33 H new ATOM 0 HB3 LEU A 86 -13.055 0.854 -6.555 1.00 70.33 H new ATOM 0 HG LEU A 86 -12.663 1.084 -3.561 1.00 53.44 H new ATOM 0 HD11 LEU A 86 -15.107 1.223 -3.494 1.00 3.24 H new ATOM 0 HD12 LEU A 86 -14.383 2.571 -4.404 1.00 3.24 H new ATOM 0 HD13 LEU A 86 -15.145 1.218 -5.274 1.00 3.24 H new ATOM 0 HD21 LEU A 86 -14.036 -0.954 -3.415 1.00 72.25 H new ATOM 0 HD22 LEU A 86 -14.036 -1.073 -5.191 1.00 72.25 H new ATOM 0 HD23 LEU A 86 -12.511 -1.237 -4.288 1.00 72.25 H new ATOM 1237 N MET A 87 -9.543 1.480 -7.397 1.00 64.11 N ATOM 1238 CA MET A 87 -8.865 1.576 -8.678 1.00 3.25 C ATOM 1239 C MET A 87 -7.939 0.385 -8.867 1.00 43.11 C ATOM 1240 O MET A 87 -7.766 -0.114 -9.980 1.00 53.23 O ATOM 1241 CB MET A 87 -8.071 2.875 -8.813 1.00 13.02 C ATOM 1242 CG MET A 87 -8.920 4.119 -8.848 1.00 41.32 C ATOM 1243 SD MET A 87 -7.941 5.603 -9.099 1.00 23.33 S ATOM 1244 CE MET A 87 -9.251 6.788 -9.323 1.00 32.41 C ATOM 0 H MET A 87 -9.191 2.114 -6.680 1.00 64.11 H new ATOM 0 HA MET A 87 -9.631 1.575 -9.453 1.00 3.25 H new ATOM 0 HB2 MET A 87 -7.373 2.949 -7.979 1.00 13.02 H new ATOM 0 HB3 MET A 87 -7.475 2.830 -9.725 1.00 13.02 H new ATOM 0 HG2 MET A 87 -9.656 4.032 -9.647 1.00 41.32 H new ATOM 0 HG3 MET A 87 -9.474 4.205 -7.913 1.00 41.32 H new ATOM 0 HE1 MET A 87 -8.841 7.711 -9.734 1.00 32.41 H new ATOM 0 HE2 MET A 87 -9.994 6.383 -10.010 1.00 32.41 H new ATOM 0 HE3 MET A 87 -9.721 6.996 -8.362 1.00 32.41 H new ATOM 1254 N LEU A 88 -7.338 -0.061 -7.780 1.00 31.22 N ATOM 1255 CA LEU A 88 -6.452 -1.218 -7.825 1.00 63.45 C ATOM 1256 C LEU A 88 -7.152 -2.531 -7.523 1.00 62.34 C ATOM 1257 O LEU A 88 -6.644 -3.566 -7.838 1.00 61.55 O ATOM 1258 CB LEU A 88 -5.196 -1.055 -6.960 1.00 35.41 C ATOM 1259 CG LEU A 88 -4.133 -0.083 -7.489 1.00 12.31 C ATOM 1260 CD1 LEU A 88 -3.887 -0.294 -8.975 1.00 3.32 C ATOM 1261 CD2 LEU A 88 -4.481 1.347 -7.180 1.00 74.01 C ATOM 0 H LEU A 88 -7.444 0.356 -6.855 1.00 31.22 H new ATOM 0 HA LEU A 88 -6.125 -1.264 -8.864 1.00 63.45 H new ATOM 0 HB2 LEU A 88 -5.503 -0.721 -5.969 1.00 35.41 H new ATOM 0 HB3 LEU A 88 -4.734 -2.035 -6.838 1.00 35.41 H new ATOM 0 HG LEU A 88 -3.201 -0.301 -6.967 1.00 12.31 H new ATOM 0 HD11 LEU A 88 -3.129 0.409 -9.322 1.00 3.32 H new ATOM 0 HD12 LEU A 88 -3.541 -1.314 -9.145 1.00 3.32 H new ATOM 0 HD13 LEU A 88 -4.814 -0.128 -9.524 1.00 3.32 H new ATOM 0 HD21 LEU A 88 -3.704 2.003 -7.571 1.00 74.01 H new ATOM 0 HD22 LEU A 88 -5.435 1.598 -7.644 1.00 74.01 H new ATOM 0 HD23 LEU A 88 -4.557 1.478 -6.101 1.00 74.01 H new ATOM 1273 N SER A 89 -8.354 -2.482 -6.990 1.00 40.01 N ATOM 1274 CA SER A 89 -9.118 -3.705 -6.662 1.00 63.21 C ATOM 1275 C SER A 89 -9.690 -4.383 -7.930 1.00 54.32 C ATOM 1276 O SER A 89 -10.659 -5.144 -7.871 1.00 2.05 O ATOM 1277 CB SER A 89 -10.252 -3.357 -5.693 1.00 41.00 C ATOM 1278 OG SER A 89 -9.741 -2.771 -4.506 1.00 72.30 O ATOM 0 H SER A 89 -8.840 -1.613 -6.767 1.00 40.01 H new ATOM 0 HA SER A 89 -8.436 -4.413 -6.192 1.00 63.21 H new ATOM 0 HB2 SER A 89 -10.948 -2.669 -6.173 1.00 41.00 H new ATOM 0 HB3 SER A 89 -10.814 -4.258 -5.446 1.00 41.00 H new ATOM 0 HG SER A 89 -9.109 -2.059 -4.739 1.00 72.30 H new ATOM 1284 N ARG A 90 -9.080 -4.097 -9.060 1.00 41.11 N ATOM 1285 CA ARG A 90 -9.479 -4.638 -10.336 1.00 22.34 C ATOM 1286 C ARG A 90 -8.215 -5.157 -11.032 1.00 0.43 C ATOM 1287 O ARG A 90 -8.259 -5.621 -12.166 1.00 15.22 O ATOM 1288 CB ARG A 90 -10.074 -3.520 -11.225 1.00 42.31 C ATOM 1289 CG ARG A 90 -10.999 -2.517 -10.525 1.00 11.53 C ATOM 1290 CD ARG A 90 -12.228 -3.153 -9.893 1.00 14.42 C ATOM 1291 NE ARG A 90 -13.057 -2.139 -9.227 1.00 64.11 N ATOM 1292 CZ ARG A 90 -13.918 -2.350 -8.216 1.00 55.35 C ATOM 1293 NH1 ARG A 90 -14.008 -3.540 -7.625 1.00 52.52 N1+ ATOM 1294 NH2 ARG A 90 -14.651 -1.357 -7.776 1.00 34.33 N ATOM 0 H ARG A 90 -8.278 -3.470 -9.116 1.00 41.11 H new ATOM 0 HA ARG A 90 -10.220 -5.423 -10.187 1.00 22.34 H new ATOM 0 HB2 ARG A 90 -9.250 -2.968 -11.678 1.00 42.31 H new ATOM 0 HB3 ARG A 90 -10.629 -3.988 -12.038 1.00 42.31 H new ATOM 0 HG2 ARG A 90 -10.435 -1.994 -9.753 1.00 11.53 H new ATOM 0 HG3 ARG A 90 -11.320 -1.767 -11.248 1.00 11.53 H new ATOM 0 HD2 ARG A 90 -12.814 -3.662 -10.658 1.00 14.42 H new ATOM 0 HD3 ARG A 90 -11.921 -3.909 -9.171 1.00 14.42 H new ATOM 0 HE ARG A 90 -12.971 -1.180 -9.565 1.00 64.11 H new ATOM 0 HH11 ARG A 90 -13.418 -4.311 -7.938 1.00 52.52 H new ATOM 0 HH12 ARG A 90 -14.667 -3.681 -6.860 1.00 52.52 H new ATOM 0 HH21 ARG A 90 -14.566 -0.433 -8.200 1.00 34.33 H new ATOM 0 HH22 ARG A 90 -15.307 -1.508 -7.009 1.00 34.33 H new ATOM 1308 N SER A 91 -7.087 -5.049 -10.342 1.00 11.20 N ATOM 1309 CA SER A 91 -5.766 -5.334 -10.886 1.00 42.31 C ATOM 1310 C SER A 91 -4.814 -5.592 -9.677 1.00 64.50 C ATOM 1311 O SER A 91 -5.311 -5.817 -8.579 1.00 21.51 O ATOM 1312 CB SER A 91 -5.318 -4.084 -11.696 1.00 1.41 C ATOM 1313 OG SER A 91 -6.227 -3.792 -12.751 1.00 25.11 O ATOM 0 H SER A 91 -7.065 -4.754 -9.366 1.00 11.20 H new ATOM 0 HA SER A 91 -5.757 -6.205 -11.541 1.00 42.31 H new ATOM 0 HB2 SER A 91 -5.245 -3.225 -11.030 1.00 1.41 H new ATOM 0 HB3 SER A 91 -4.323 -4.254 -12.108 1.00 1.41 H new ATOM 0 HG SER A 91 -5.726 -3.518 -13.548 1.00 25.11 H new ATOM 1319 N PRO A 92 -3.462 -5.672 -9.848 1.00 14.41 N ATOM 1320 CA PRO A 92 -2.554 -5.694 -8.697 1.00 33.10 C ATOM 1321 C PRO A 92 -2.431 -4.291 -8.077 1.00 11.33 C ATOM 1322 O PRO A 92 -2.754 -3.300 -8.739 1.00 72.12 O ATOM 1323 CB PRO A 92 -1.201 -6.129 -9.300 1.00 45.40 C ATOM 1324 CG PRO A 92 -1.516 -6.605 -10.678 1.00 24.31 C ATOM 1325 CD PRO A 92 -2.721 -5.834 -11.109 1.00 72.15 C ATOM 0 HA PRO A 92 -2.900 -6.356 -7.904 1.00 33.10 H new ATOM 0 HB2 PRO A 92 -0.496 -5.298 -9.323 1.00 45.40 H new ATOM 0 HB3 PRO A 92 -0.742 -6.920 -8.706 1.00 45.40 H new ATOM 0 HG2 PRO A 92 -0.678 -6.431 -11.353 1.00 24.31 H new ATOM 0 HG3 PRO A 92 -1.714 -7.677 -10.686 1.00 24.31 H new ATOM 0 HD2 PRO A 92 -2.453 -4.873 -11.548 1.00 72.15 H new ATOM 0 HD3 PRO A 92 -3.303 -6.374 -11.855 1.00 72.15 H new ATOM 1333 N GLU A 93 -1.961 -4.245 -6.833 1.00 42.51 N ATOM 1334 CA GLU A 93 -1.773 -3.015 -6.045 1.00 40.42 C ATOM 1335 C GLU A 93 -0.855 -2.036 -6.789 1.00 73.11 C ATOM 1336 O GLU A 93 -1.335 -1.074 -7.402 1.00 64.11 O ATOM 1337 CB GLU A 93 -1.140 -3.400 -4.686 1.00 23.14 C ATOM 1338 CG GLU A 93 -0.930 -2.259 -3.683 1.00 1.11 C ATOM 1339 CD GLU A 93 -2.221 -1.696 -3.125 1.00 5.20 C ATOM 1340 OE1 GLU A 93 -2.849 -2.362 -2.284 1.00 51.43 O ATOM 1341 OE2 GLU A 93 -2.595 -0.557 -3.481 1.00 35.20 O1- ATOM 1342 OXT GLU A 93 0.374 -2.237 -6.797 1.00 38.64 O1- ATOM 0 H GLU A 93 -1.690 -5.086 -6.323 1.00 42.51 H new ATOM 0 HA GLU A 93 -2.735 -2.527 -5.890 1.00 40.42 H new ATOM 0 HB2 GLU A 93 -1.771 -4.155 -4.217 1.00 23.14 H new ATOM 0 HB3 GLU A 93 -0.174 -3.867 -4.879 1.00 23.14 H new ATOM 0 HG2 GLU A 93 -0.315 -2.620 -2.859 1.00 1.11 H new ATOM 0 HG3 GLU A 93 -0.374 -1.457 -4.169 1.00 1.11 H new TER 1349 GLU A 93