USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 821 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 87 SER OG : rot 158:sc= 0.351 USER MOD Set 1.2: A 89 GLN : amide:sc= -2.19 K(o=-1.8,f=0.38) USER MOD Set 2.1: A 80 GLN : amide:sc= -1.12 K(o=-2.1,f=-3.9) USER MOD Set 2.2: A 84 THR OG1 : rot -140:sc= -1.03 USER MOD Set 3.1: A 44 SER OG : rot 30:sc= 1.01 USER MOD Set 3.2: A 51 SER OG : rot 166:sc= 0.523 USER MOD Set 3.3: A 52 THR OG1 : rot -6:sc= 0.514 USER MOD Set 4.1: A 50 HIS : no HD1:sc= -0.0852 K(o=-0.13,f=-0.7) USER MOD Set 4.2: A 105 CYS SG : rot 180:sc= -0.045 USER MOD Set 5.1: A 45 LYS NZ :NH3+ 165:sc= 0.122 (180deg=0) USER MOD Set 5.2: A 48 CYS SG : rot -0:sc= -0.331 USER MOD Set 6.1: A 41 MET CE :methyl 170:sc= -8.1! (180deg=-8.6!) USER MOD Set 6.2: A 94 ASN : amide:sc= -2.2 K(o=-10,f=-13) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -35:sc= 0.526 USER MOD Single : A 65 TYR OH : rot -58:sc= 0.0014 USER MOD Single : A 66 ASN : amide:sc= -5.29! C(o=-5.3!,f=-8.6!) USER MOD Single : A 72 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.26) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 170:sc= 0.0202 USER MOD Single : A 98 ASN : amide:sc= -12.7! C(o=-13!,f=-14!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-0.81) USER MOD Single : A 108 THR OG1 : rot -120:sc= -2.14 USER MOD Single : A 110 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.12) USER MOD Single : A 112 HIS : no HD1:sc= -0.856 X(o=-0.86,f=-0.86) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 114 ASN : amide:sc= -1.91 K(o=-1.9,f=-15!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 119 LYS NZ :NH3+ -121:sc= -0.118 (180deg=-1.23) USER MOD Single : A 122 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.009) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 4.031 2.216 -1.711 1.00 63.20 N ATOM 2 CA ALA A 23 4.178 1.648 -3.046 1.00 34.31 C ATOM 3 C ALA A 23 4.294 0.128 -2.985 1.00 55.02 C ATOM 4 O ALA A 23 4.074 -0.561 -3.982 1.00 0.22 O ATOM 5 CB ALA A 23 5.390 2.244 -3.744 1.00 4.01 C ATOM 0 HA ALA A 23 3.285 1.896 -3.620 1.00 34.31 H new ATOM 0 HB1 ALA A 23 5.487 1.810 -4.739 1.00 4.01 H new ATOM 0 HB2 ALA A 23 5.266 3.324 -3.829 1.00 4.01 H new ATOM 0 HB3 ALA A 23 6.287 2.026 -3.165 1.00 4.01 H new ATOM 11 N ARG A 24 4.639 -0.388 -1.811 1.00 24.21 N ATOM 12 CA ARG A 24 4.787 -1.826 -1.621 1.00 62.45 C ATOM 13 C ARG A 24 3.552 -2.569 -2.124 1.00 22.32 C ATOM 14 O ARG A 24 3.645 -3.709 -2.576 1.00 60.50 O ATOM 15 CB ARG A 24 5.022 -2.146 -0.145 1.00 21.42 C ATOM 16 CG ARG A 24 4.050 -1.450 0.792 1.00 33.04 C ATOM 17 CD ARG A 24 3.603 -2.371 1.917 1.00 43.10 C ATOM 18 NE ARG A 24 2.447 -1.838 2.634 1.00 23.41 N ATOM 19 CZ ARG A 24 1.952 -2.385 3.739 1.00 63.24 C ATOM 20 NH1 ARG A 24 2.510 -3.473 4.251 1.00 31.55 N ATOM 21 NH2 ARG A 24 0.897 -1.843 4.334 1.00 65.02 N ATOM 0 H ARG A 24 4.822 0.168 -0.976 1.00 24.21 H new ATOM 0 HA ARG A 24 5.650 -2.157 -2.198 1.00 62.45 H new ATOM 0 HB2 ARG A 24 4.945 -3.223 0.001 1.00 21.42 H new ATOM 0 HB3 ARG A 24 6.039 -1.860 0.122 1.00 21.42 H new ATOM 0 HG2 ARG A 24 4.522 -0.562 1.213 1.00 33.04 H new ATOM 0 HG3 ARG A 24 3.180 -1.112 0.230 1.00 33.04 H new ATOM 0 HD2 ARG A 24 3.355 -3.350 1.507 1.00 43.10 H new ATOM 0 HD3 ARG A 24 4.427 -2.517 2.615 1.00 43.10 H new ATOM 0 HE ARG A 24 1.995 -1.001 2.266 1.00 23.41 H new ATOM 0 HH11 ARG A 24 3.321 -3.892 3.797 1.00 31.55 H new ATOM 0 HH12 ARG A 24 2.128 -3.891 5.099 1.00 31.55 H new ATOM 0 HH21 ARG A 24 0.465 -1.006 3.943 1.00 65.02 H new ATOM 0 HH22 ARG A 24 0.518 -2.264 5.182 1.00 65.02 H new ATOM 35 N GLU A 25 2.398 -1.914 -2.039 1.00 63.55 N ATOM 36 CA GLU A 25 1.146 -2.515 -2.484 1.00 25.21 C ATOM 37 C GLU A 25 1.022 -2.452 -4.004 1.00 23.25 C ATOM 38 O GLU A 25 0.496 -3.370 -4.632 1.00 51.52 O ATOM 39 CB GLU A 25 -0.044 -1.806 -1.835 1.00 1.24 C ATOM 40 CG GLU A 25 -0.062 -1.911 -0.319 1.00 5.31 C ATOM 41 CD GLU A 25 -1.275 -1.243 0.298 1.00 63.24 C ATOM 42 OE1 GLU A 25 -2.184 -0.844 -0.460 1.00 63.44 O ATOM 43 OE2 GLU A 25 -1.316 -1.119 1.540 1.00 0.41 O ATOM 0 H GLU A 25 2.304 -0.969 -1.667 1.00 63.55 H new ATOM 0 HA GLU A 25 1.147 -3.562 -2.180 1.00 25.21 H new ATOM 0 HB2 GLU A 25 -0.027 -0.753 -2.118 1.00 1.24 H new ATOM 0 HB3 GLU A 25 -0.968 -2.228 -2.231 1.00 1.24 H new ATOM 0 HG2 GLU A 25 -0.045 -2.962 -0.031 1.00 5.31 H new ATOM 0 HG3 GLU A 25 0.843 -1.456 0.084 1.00 5.31 H new ATOM 50 N GLU A 26 1.511 -1.361 -4.587 1.00 32.44 N ATOM 51 CA GLU A 26 1.453 -1.179 -6.033 1.00 0.31 C ATOM 52 C GLU A 26 2.464 -2.080 -6.736 1.00 2.21 C ATOM 53 O GLU A 26 2.375 -2.307 -7.943 1.00 50.12 O ATOM 54 CB GLU A 26 1.718 0.284 -6.394 1.00 41.23 C ATOM 55 CG GLU A 26 0.774 0.831 -7.451 1.00 51.22 C ATOM 56 CD GLU A 26 0.613 2.337 -7.367 1.00 2.32 C ATOM 57 OE1 GLU A 26 -0.028 2.812 -6.405 1.00 50.03 O ATOM 58 OE2 GLU A 26 1.127 3.040 -8.261 1.00 41.15 O ATOM 0 H GLU A 26 1.951 -0.592 -4.081 1.00 32.44 H new ATOM 0 HA GLU A 26 0.453 -1.454 -6.369 1.00 0.31 H new ATOM 0 HB2 GLU A 26 1.634 0.893 -5.494 1.00 41.23 H new ATOM 0 HB3 GLU A 26 2.744 0.382 -6.750 1.00 41.23 H new ATOM 0 HG2 GLU A 26 1.148 0.564 -8.440 1.00 51.22 H new ATOM 0 HG3 GLU A 26 -0.202 0.358 -7.341 1.00 51.22 H new ATOM 65 N LEU A 27 3.424 -2.589 -5.973 1.00 3.12 N ATOM 66 CA LEU A 27 4.454 -3.465 -6.522 1.00 55.31 C ATOM 67 C LEU A 27 3.829 -4.600 -7.327 1.00 44.01 C ATOM 68 O LEU A 27 4.162 -4.801 -8.495 1.00 62.13 O ATOM 69 CB LEU A 27 5.317 -4.037 -5.396 1.00 71.41 C ATOM 70 CG LEU A 27 6.082 -5.321 -5.723 1.00 73.03 C ATOM 71 CD1 LEU A 27 7.469 -5.289 -5.101 1.00 75.15 C ATOM 72 CD2 LEU A 27 5.307 -6.539 -5.242 1.00 62.22 C ATOM 0 H LEU A 27 3.511 -2.411 -4.973 1.00 3.12 H new ATOM 0 HA LEU A 27 5.083 -2.875 -7.189 1.00 55.31 H new ATOM 0 HB2 LEU A 27 6.037 -3.276 -5.094 1.00 71.41 H new ATOM 0 HB3 LEU A 27 4.676 -4.229 -4.535 1.00 71.41 H new ATOM 0 HG LEU A 27 6.194 -5.390 -6.805 1.00 73.03 H new ATOM 0 HD11 LEU A 27 7.998 -6.210 -5.344 1.00 75.15 H new ATOM 0 HD12 LEU A 27 8.024 -4.437 -5.494 1.00 75.15 H new ATOM 0 HD13 LEU A 27 7.380 -5.197 -4.019 1.00 75.15 H new ATOM 0 HD21 LEU A 27 5.865 -7.444 -5.483 1.00 62.22 H new ATOM 0 HD22 LEU A 27 5.164 -6.477 -4.163 1.00 62.22 H new ATOM 0 HD23 LEU A 27 4.335 -6.570 -5.735 1.00 62.22 H new ATOM 84 N ARG A 28 2.922 -5.337 -6.695 1.00 71.03 N ATOM 85 CA ARG A 28 2.251 -6.451 -7.354 1.00 21.24 C ATOM 86 C ARG A 28 1.611 -6.003 -8.664 1.00 64.31 C ATOM 87 O ARG A 28 1.459 -6.795 -9.595 1.00 15.24 O ATOM 88 CB ARG A 28 1.186 -7.049 -6.431 1.00 75.24 C ATOM 89 CG ARG A 28 1.700 -7.378 -5.040 1.00 73.41 C ATOM 90 CD ARG A 28 1.173 -6.396 -4.005 1.00 60.31 C ATOM 91 NE ARG A 28 -0.286 -6.403 -3.937 1.00 12.22 N ATOM 92 CZ ARG A 28 -0.974 -5.979 -2.883 1.00 21.43 C ATOM 93 NH1 ARG A 28 -0.340 -5.518 -1.815 1.00 23.15 N ATOM 94 NH2 ARG A 28 -2.301 -6.016 -2.897 1.00 60.41 N ATOM 0 H ARG A 28 2.635 -5.183 -5.728 1.00 71.03 H new ATOM 0 HA ARG A 28 2.998 -7.212 -7.578 1.00 21.24 H new ATOM 0 HB2 ARG A 28 0.356 -6.348 -6.346 1.00 75.24 H new ATOM 0 HB3 ARG A 28 0.791 -7.957 -6.887 1.00 75.24 H new ATOM 0 HG2 ARG A 28 1.399 -8.390 -4.770 1.00 73.41 H new ATOM 0 HG3 ARG A 28 2.790 -7.359 -5.040 1.00 73.41 H new ATOM 0 HD2 ARG A 28 1.583 -6.646 -3.026 1.00 60.31 H new ATOM 0 HD3 ARG A 28 1.520 -5.392 -4.249 1.00 60.31 H new ATOM 0 HE ARG A 28 -0.805 -6.752 -4.743 1.00 12.22 H new ATOM 0 HH11 ARG A 28 0.679 -5.488 -1.801 1.00 23.15 H new ATOM 0 HH12 ARG A 28 -0.871 -5.193 -1.007 1.00 23.15 H new ATOM 0 HH21 ARG A 28 -2.793 -6.370 -3.717 1.00 60.41 H new ATOM 0 HH22 ARG A 28 -2.829 -5.690 -2.087 1.00 60.41 H new ATOM 108 N ARG A 29 1.239 -4.730 -8.729 1.00 52.21 N ATOM 109 CA ARG A 29 0.614 -4.176 -9.926 1.00 11.24 C ATOM 110 C ARG A 29 1.667 -3.797 -10.962 1.00 53.11 C ATOM 111 O ARG A 29 1.371 -3.701 -12.154 1.00 4.31 O ATOM 112 CB ARG A 29 -0.229 -2.951 -9.566 1.00 43.25 C ATOM 113 CG ARG A 29 -1.670 -3.043 -10.039 1.00 34.43 C ATOM 114 CD ARG A 29 -2.494 -3.956 -9.143 1.00 5.23 C ATOM 115 NE ARG A 29 -3.756 -3.340 -8.746 1.00 54.31 N ATOM 116 CZ ARG A 29 -4.822 -3.274 -9.535 1.00 52.04 C ATOM 117 NH1 ARG A 29 -4.779 -3.785 -10.758 1.00 44.14 N ATOM 118 NH2 ARG A 29 -5.936 -2.697 -9.103 1.00 2.34 N ATOM 0 H ARG A 29 1.359 -4.062 -7.968 1.00 52.21 H new ATOM 0 HA ARG A 29 -0.034 -4.940 -10.355 1.00 11.24 H new ATOM 0 HB2 ARG A 29 -0.218 -2.818 -8.484 1.00 43.25 H new ATOM 0 HB3 ARG A 29 0.231 -2.063 -10.000 1.00 43.25 H new ATOM 0 HG2 ARG A 29 -2.114 -2.048 -10.052 1.00 34.43 H new ATOM 0 HG3 ARG A 29 -1.695 -3.417 -11.063 1.00 34.43 H new ATOM 0 HD2 ARG A 29 -2.696 -4.891 -9.666 1.00 5.23 H new ATOM 0 HD3 ARG A 29 -1.917 -4.207 -8.253 1.00 5.23 H new ATOM 0 HE ARG A 29 -3.823 -2.938 -7.811 1.00 54.31 H new ATOM 0 HH11 ARG A 29 -3.925 -4.230 -11.095 1.00 44.14 H new ATOM 0 HH12 ARG A 29 -5.600 -3.733 -11.362 1.00 44.14 H new ATOM 0 HH21 ARG A 29 -5.975 -2.303 -8.163 1.00 2.34 H new ATOM 0 HH22 ARG A 29 -6.754 -2.647 -9.711 1.00 2.34 H new ATOM 132 N ARG A 30 2.894 -3.581 -10.501 1.00 61.21 N ATOM 133 CA ARG A 30 3.990 -3.211 -11.388 1.00 40.42 C ATOM 134 C ARG A 30 4.587 -4.444 -12.060 1.00 74.23 C ATOM 135 O ARG A 30 5.056 -4.379 -13.197 1.00 54.11 O ATOM 136 CB ARG A 30 5.075 -2.466 -10.609 1.00 24.41 C ATOM 137 CG ARG A 30 5.024 -0.957 -10.783 1.00 70.02 C ATOM 138 CD ARG A 30 6.218 -0.280 -10.129 1.00 12.11 C ATOM 139 NE ARG A 30 5.810 0.677 -9.104 1.00 4.00 N ATOM 140 CZ ARG A 30 5.325 1.883 -9.376 1.00 63.34 C ATOM 141 NH1 ARG A 30 5.187 2.278 -10.635 1.00 34.55 N ATOM 142 NH2 ARG A 30 4.976 2.697 -8.388 1.00 43.10 N ATOM 0 H ARG A 30 3.154 -3.656 -9.518 1.00 61.21 H new ATOM 0 HA ARG A 30 3.592 -2.555 -12.162 1.00 40.42 H new ATOM 0 HB2 ARG A 30 4.978 -2.704 -9.550 1.00 24.41 H new ATOM 0 HB3 ARG A 30 6.052 -2.827 -10.929 1.00 24.41 H new ATOM 0 HG2 ARG A 30 5.003 -0.713 -11.845 1.00 70.02 H new ATOM 0 HG3 ARG A 30 4.102 -0.571 -10.348 1.00 70.02 H new ATOM 0 HD2 ARG A 30 6.864 -1.036 -9.683 1.00 12.11 H new ATOM 0 HD3 ARG A 30 6.806 0.233 -10.890 1.00 12.11 H new ATOM 0 HE ARG A 30 5.903 0.404 -8.126 1.00 4.00 H new ATOM 0 HH11 ARG A 30 5.454 1.655 -11.397 1.00 34.55 H new ATOM 0 HH12 ARG A 30 4.814 3.205 -10.841 1.00 34.55 H new ATOM 0 HH21 ARG A 30 5.080 2.397 -7.419 1.00 43.10 H new ATOM 0 HH22 ARG A 30 4.604 3.623 -8.598 1.00 43.10 H new ATOM 156 N LEU A 31 4.566 -5.566 -11.351 1.00 33.12 N ATOM 157 CA LEU A 31 5.104 -6.815 -11.877 1.00 71.32 C ATOM 158 C LEU A 31 4.215 -7.366 -12.988 1.00 2.21 C ATOM 159 O LEU A 31 4.698 -8.004 -13.924 1.00 51.41 O ATOM 160 CB LEU A 31 5.240 -7.848 -10.758 1.00 31.31 C ATOM 161 CG LEU A 31 5.954 -7.376 -9.491 1.00 50.31 C ATOM 162 CD1 LEU A 31 5.700 -8.339 -8.343 1.00 34.52 C ATOM 163 CD2 LEU A 31 7.447 -7.227 -9.744 1.00 4.41 C ATOM 0 H LEU A 31 4.182 -5.637 -10.409 1.00 33.12 H new ATOM 0 HA LEU A 31 6.090 -6.609 -12.294 1.00 71.32 H new ATOM 0 HB2 LEU A 31 4.242 -8.189 -10.483 1.00 31.31 H new ATOM 0 HB3 LEU A 31 5.775 -8.712 -11.152 1.00 31.31 H new ATOM 0 HG LEU A 31 5.553 -6.401 -9.214 1.00 50.31 H new ATOM 0 HD11 LEU A 31 6.217 -7.986 -7.451 1.00 34.52 H new ATOM 0 HD12 LEU A 31 4.630 -8.395 -8.145 1.00 34.52 H new ATOM 0 HD13 LEU A 31 6.071 -9.329 -8.609 1.00 34.52 H new ATOM 0 HD21 LEU A 31 7.939 -6.890 -8.831 1.00 4.41 H new ATOM 0 HD22 LEU A 31 7.862 -8.188 -10.047 1.00 4.41 H new ATOM 0 HD23 LEU A 31 7.611 -6.496 -10.535 1.00 4.41 H new ATOM 175 N ARG A 32 2.915 -7.114 -12.878 1.00 63.11 N ATOM 176 CA ARG A 32 1.959 -7.584 -13.874 1.00 42.52 C ATOM 177 C ARG A 32 1.831 -6.583 -15.019 1.00 32.43 C ATOM 178 O ARG A 32 1.541 -6.959 -16.155 1.00 3.31 O ATOM 179 CB ARG A 32 0.592 -7.815 -13.229 1.00 35.12 C ATOM 180 CG ARG A 32 -0.327 -8.704 -14.052 1.00 10.02 C ATOM 181 CD ARG A 32 -0.875 -9.856 -13.223 1.00 52.15 C ATOM 182 NE ARG A 32 -1.442 -10.910 -14.061 1.00 62.21 N ATOM 183 CZ ARG A 32 -1.946 -12.040 -13.579 1.00 21.35 C ATOM 184 NH1 ARG A 32 -1.954 -12.262 -12.271 1.00 4.41 N ATOM 185 NH2 ARG A 32 -2.443 -12.952 -14.404 1.00 12.23 N ATOM 0 H ARG A 32 2.499 -6.587 -12.110 1.00 63.11 H new ATOM 0 HA ARG A 32 2.327 -8.527 -14.278 1.00 42.52 H new ATOM 0 HB2 ARG A 32 0.735 -8.265 -12.246 1.00 35.12 H new ATOM 0 HB3 ARG A 32 0.107 -6.852 -13.071 1.00 35.12 H new ATOM 0 HG2 ARG A 32 -1.153 -8.111 -14.444 1.00 10.02 H new ATOM 0 HG3 ARG A 32 0.218 -9.098 -14.910 1.00 10.02 H new ATOM 0 HD2 ARG A 32 -0.077 -10.272 -12.607 1.00 52.15 H new ATOM 0 HD3 ARG A 32 -1.640 -9.482 -12.543 1.00 52.15 H new ATOM 0 HE ARG A 32 -1.451 -10.770 -15.071 1.00 62.21 H new ATOM 0 HH11 ARG A 32 -1.572 -11.564 -11.633 1.00 4.41 H new ATOM 0 HH12 ARG A 32 -2.342 -13.131 -11.904 1.00 4.41 H new ATOM 0 HH21 ARG A 32 -2.438 -12.786 -15.410 1.00 12.23 H new ATOM 0 HH22 ARG A 32 -2.830 -13.819 -14.032 1.00 12.23 H new ATOM 199 N ASP A 33 2.048 -5.309 -14.712 1.00 4.01 N ATOM 200 CA ASP A 33 1.958 -4.255 -15.715 1.00 64.02 C ATOM 201 C ASP A 33 3.268 -4.123 -16.484 1.00 41.03 C ATOM 202 O ASP A 33 3.284 -3.685 -17.636 1.00 20.44 O ATOM 203 CB ASP A 33 1.603 -2.922 -15.054 1.00 5.21 C ATOM 204 CG ASP A 33 1.083 -1.903 -16.048 1.00 55.15 C ATOM 205 OD1 ASP A 33 1.911 -1.213 -16.680 1.00 74.11 O ATOM 206 OD2 ASP A 33 -0.152 -1.795 -16.196 1.00 20.14 O ATOM 0 H ASP A 33 2.288 -4.981 -13.776 1.00 4.01 H new ATOM 0 HA ASP A 33 1.170 -4.524 -16.419 1.00 64.02 H new ATOM 0 HB2 ASP A 33 0.850 -3.091 -14.284 1.00 5.21 H new ATOM 0 HB3 ASP A 33 2.485 -2.521 -14.555 1.00 5.21 H new ATOM 211 N LEU A 34 4.367 -4.502 -15.841 1.00 3.11 N ATOM 212 CA LEU A 34 5.684 -4.425 -16.464 1.00 3.23 C ATOM 213 C LEU A 34 5.719 -5.224 -17.762 1.00 70.01 C ATOM 214 O LEU A 34 6.566 -4.988 -18.625 1.00 23.42 O ATOM 215 CB LEU A 34 6.756 -4.943 -15.503 1.00 73.00 C ATOM 216 CG LEU A 34 8.113 -5.272 -16.126 1.00 73.30 C ATOM 217 CD1 LEU A 34 8.665 -4.066 -16.869 1.00 5.33 C ATOM 218 CD2 LEU A 34 9.091 -5.737 -15.057 1.00 61.21 C ATOM 0 H LEU A 34 4.372 -4.866 -14.888 1.00 3.11 H new ATOM 0 HA LEU A 34 5.888 -3.380 -16.697 1.00 3.23 H new ATOM 0 HB2 LEU A 34 6.908 -4.197 -14.723 1.00 73.00 H new ATOM 0 HB3 LEU A 34 6.375 -5.840 -15.015 1.00 73.00 H new ATOM 0 HG LEU A 34 7.977 -6.082 -16.842 1.00 73.30 H new ATOM 0 HD11 LEU A 34 9.631 -4.319 -17.306 1.00 5.33 H new ATOM 0 HD12 LEU A 34 7.973 -3.778 -17.660 1.00 5.33 H new ATOM 0 HD13 LEU A 34 8.787 -3.235 -16.174 1.00 5.33 H new ATOM 0 HD21 LEU A 34 10.052 -5.967 -15.518 1.00 61.21 H new ATOM 0 HD22 LEU A 34 9.223 -4.948 -14.317 1.00 61.21 H new ATOM 0 HD23 LEU A 34 8.700 -6.630 -14.569 1.00 61.21 H new ATOM 230 N ILE A 35 4.794 -6.168 -17.896 1.00 34.53 N ATOM 231 CA ILE A 35 4.717 -7.000 -19.090 1.00 50.10 C ATOM 232 C ILE A 35 3.961 -6.288 -20.207 1.00 70.31 C ATOM 233 O ILE A 35 4.141 -6.596 -21.385 1.00 10.42 O ATOM 234 CB ILE A 35 4.030 -8.346 -18.796 1.00 24.22 C ATOM 235 CG1 ILE A 35 4.622 -8.981 -17.535 1.00 55.35 C ATOM 236 CG2 ILE A 35 4.173 -9.285 -19.985 1.00 43.25 C ATOM 237 CD1 ILE A 35 3.630 -9.103 -16.399 1.00 71.11 C ATOM 0 H ILE A 35 4.086 -6.376 -17.191 1.00 34.53 H new ATOM 0 HA ILE A 35 5.742 -7.188 -19.410 1.00 50.10 H new ATOM 0 HB ILE A 35 2.969 -8.166 -18.626 1.00 24.22 H new ATOM 0 HG12 ILE A 35 5.004 -9.972 -17.781 1.00 55.35 H new ATOM 0 HG13 ILE A 35 5.472 -8.385 -17.202 1.00 55.35 H new ATOM 0 HG21 ILE A 35 3.682 -10.232 -19.762 1.00 43.25 H new ATOM 0 HG22 ILE A 35 3.709 -8.834 -20.862 1.00 43.25 H new ATOM 0 HG23 ILE A 35 5.230 -9.462 -20.184 1.00 43.25 H new ATOM 0 HD11 ILE A 35 4.117 -9.561 -15.538 1.00 71.11 H new ATOM 0 HD12 ILE A 35 3.266 -8.113 -16.126 1.00 71.11 H new ATOM 0 HD13 ILE A 35 2.791 -9.724 -16.714 1.00 71.11 H new ATOM 249 N GLU A 36 3.115 -5.336 -19.829 1.00 11.44 N ATOM 250 CA GLU A 36 2.331 -4.580 -20.799 1.00 21.23 C ATOM 251 C GLU A 36 3.188 -3.517 -21.480 1.00 61.41 C ATOM 252 O GLU A 36 2.946 -3.151 -22.629 1.00 34.30 O ATOM 253 CB GLU A 36 1.130 -3.923 -20.117 1.00 61.42 C ATOM 254 CG GLU A 36 0.087 -3.402 -21.091 1.00 50.45 C ATOM 255 CD GLU A 36 -1.252 -3.140 -20.429 1.00 44.25 C ATOM 256 OE1 GLU A 36 -1.387 -3.441 -19.225 1.00 45.53 O ATOM 257 OE2 GLU A 36 -2.164 -2.635 -21.116 1.00 41.43 O ATOM 0 H GLU A 36 2.955 -5.069 -18.858 1.00 11.44 H new ATOM 0 HA GLU A 36 1.972 -5.275 -21.559 1.00 21.23 H new ATOM 0 HB2 GLU A 36 0.662 -4.646 -19.449 1.00 61.42 H new ATOM 0 HB3 GLU A 36 1.481 -3.098 -19.498 1.00 61.42 H new ATOM 0 HG2 GLU A 36 0.449 -2.480 -21.546 1.00 50.45 H new ATOM 0 HG3 GLU A 36 -0.045 -4.125 -21.896 1.00 50.45 H new ATOM 264 N GLY A 37 4.192 -3.024 -20.761 1.00 31.14 N ATOM 265 CA GLY A 37 5.070 -2.008 -21.311 1.00 14.54 C ATOM 266 C GLY A 37 6.289 -2.600 -21.990 1.00 15.52 C ATOM 267 O GLY A 37 7.123 -1.871 -22.527 1.00 22.14 O ATOM 0 H GLY A 37 4.413 -3.310 -19.807 1.00 31.14 H new ATOM 0 HA2 GLY A 37 4.516 -1.404 -22.029 1.00 14.54 H new ATOM 0 HA3 GLY A 37 5.392 -1.339 -20.513 1.00 14.54 H new ATOM 271 N ASN A 38 6.392 -3.924 -21.966 1.00 2.10 N ATOM 272 CA ASN A 38 7.521 -4.614 -22.583 1.00 13.42 C ATOM 273 C ASN A 38 7.055 -5.862 -23.326 1.00 14.41 C ATOM 274 O ASN A 38 6.325 -6.687 -22.776 1.00 30.42 O ATOM 275 CB ASN A 38 8.555 -4.994 -21.522 1.00 54.11 C ATOM 276 CG ASN A 38 9.701 -4.004 -21.452 1.00 4.04 C ATOM 277 OD1 ASN A 38 10.702 -4.146 -22.153 1.00 61.12 O ATOM 278 ND2 ASN A 38 9.560 -2.995 -20.600 1.00 42.11 N ATOM 0 H ASN A 38 5.709 -4.541 -21.527 1.00 2.10 H new ATOM 0 HA ASN A 38 7.981 -3.936 -23.302 1.00 13.42 H new ATOM 0 HB2 ASN A 38 8.068 -5.052 -20.548 1.00 54.11 H new ATOM 0 HB3 ASN A 38 8.949 -5.987 -21.741 1.00 54.11 H new ATOM 0 HD21 ASN A 38 10.299 -2.299 -20.507 1.00 42.11 H new ATOM 0 HD22 ASN A 38 8.712 -2.917 -20.038 1.00 42.11 H new ATOM 285 N ARG A 39 7.481 -5.993 -24.577 1.00 64.30 N ATOM 286 CA ARG A 39 7.108 -7.141 -25.395 1.00 51.24 C ATOM 287 C ARG A 39 7.398 -8.447 -24.663 1.00 74.34 C ATOM 288 O ARG A 39 6.545 -9.333 -24.591 1.00 33.30 O ATOM 289 CB ARG A 39 7.862 -7.111 -26.727 1.00 52.01 C ATOM 290 CG ARG A 39 6.967 -7.323 -27.938 1.00 22.33 C ATOM 291 CD ARG A 39 6.582 -8.785 -28.095 1.00 34.40 C ATOM 292 NE ARG A 39 6.595 -9.208 -29.493 1.00 3.51 N ATOM 293 CZ ARG A 39 7.709 -9.423 -30.185 1.00 53.41 C ATOM 294 NH1 ARG A 39 8.892 -9.255 -29.611 1.00 23.52 N ATOM 295 NH2 ARG A 39 7.640 -9.804 -31.454 1.00 63.44 N ATOM 0 H ARG A 39 8.085 -5.319 -25.047 1.00 64.30 H new ATOM 0 HA ARG A 39 6.037 -7.085 -25.590 1.00 51.24 H new ATOM 0 HB2 ARG A 39 8.371 -6.152 -26.825 1.00 52.01 H new ATOM 0 HB3 ARG A 39 8.633 -7.882 -26.716 1.00 52.01 H new ATOM 0 HG2 ARG A 39 6.067 -6.717 -27.837 1.00 22.33 H new ATOM 0 HG3 ARG A 39 7.482 -6.982 -28.836 1.00 22.33 H new ATOM 0 HD2 ARG A 39 7.272 -9.405 -27.522 1.00 34.40 H new ATOM 0 HD3 ARG A 39 5.588 -8.945 -27.677 1.00 34.40 H new ATOM 0 HE ARG A 39 5.701 -9.346 -29.964 1.00 3.51 H new ATOM 0 HH11 ARG A 39 8.949 -8.960 -28.636 1.00 23.52 H new ATOM 0 HH12 ARG A 39 9.746 -9.421 -30.144 1.00 23.52 H new ATOM 0 HH21 ARG A 39 6.731 -9.932 -31.899 1.00 63.44 H new ATOM 0 HH22 ARG A 39 8.496 -9.969 -31.984 1.00 63.44 H new ATOM 309 N VAL A 40 8.606 -8.562 -24.122 1.00 71.15 N ATOM 310 CA VAL A 40 9.008 -9.760 -23.396 1.00 60.30 C ATOM 311 C VAL A 40 9.722 -9.402 -22.097 1.00 64.33 C ATOM 312 O VAL A 40 10.781 -8.775 -22.113 1.00 64.30 O ATOM 313 CB VAL A 40 9.932 -10.650 -24.249 1.00 4.33 C ATOM 314 CG1 VAL A 40 9.736 -12.117 -23.896 1.00 31.13 C ATOM 315 CG2 VAL A 40 9.682 -10.412 -25.731 1.00 5.35 C ATOM 0 H VAL A 40 9.324 -7.839 -24.173 1.00 71.15 H new ATOM 0 HA VAL A 40 8.096 -10.311 -23.166 1.00 60.30 H new ATOM 0 HB VAL A 40 10.966 -10.384 -24.031 1.00 4.33 H new ATOM 0 HG11 VAL A 40 10.397 -12.730 -24.509 1.00 31.13 H new ATOM 0 HG12 VAL A 40 9.970 -12.272 -22.843 1.00 31.13 H new ATOM 0 HG13 VAL A 40 8.700 -12.401 -24.083 1.00 31.13 H new ATOM 0 HG21 VAL A 40 10.343 -11.049 -26.318 1.00 5.35 H new ATOM 0 HG22 VAL A 40 8.645 -10.649 -25.968 1.00 5.35 H new ATOM 0 HG23 VAL A 40 9.878 -9.367 -25.970 1.00 5.35 H new ATOM 325 N MET A 41 9.135 -9.804 -20.975 1.00 43.13 N ATOM 326 CA MET A 41 9.716 -9.526 -19.668 1.00 23.34 C ATOM 327 C MET A 41 9.765 -10.791 -18.815 1.00 21.03 C ATOM 328 O MET A 41 8.835 -11.597 -18.831 1.00 60.11 O ATOM 329 CB MET A 41 8.912 -8.442 -18.947 1.00 71.32 C ATOM 330 CG MET A 41 9.298 -8.269 -17.488 1.00 15.04 C ATOM 331 SD MET A 41 7.992 -8.791 -16.358 1.00 21.52 S ATOM 332 CE MET A 41 8.630 -10.372 -15.811 1.00 65.32 C ATOM 0 H MET A 41 8.258 -10.323 -20.945 1.00 43.13 H new ATOM 0 HA MET A 41 10.735 -9.171 -19.820 1.00 23.34 H new ATOM 0 HB2 MET A 41 9.050 -7.493 -19.466 1.00 71.32 H new ATOM 0 HB3 MET A 41 7.852 -8.687 -19.007 1.00 71.32 H new ATOM 0 HG2 MET A 41 10.201 -8.844 -17.284 1.00 15.04 H new ATOM 0 HG3 MET A 41 9.538 -7.222 -17.301 1.00 15.04 H new ATOM 0 HE1 MET A 41 8.029 -10.739 -14.979 1.00 65.32 H new ATOM 0 HE2 MET A 41 8.586 -11.086 -16.633 1.00 65.32 H new ATOM 0 HE3 MET A 41 9.664 -10.255 -15.487 1.00 65.32 H new ATOM 342 N ILE A 42 10.854 -10.956 -18.072 1.00 24.15 N ATOM 343 CA ILE A 42 11.022 -12.122 -17.213 1.00 23.05 C ATOM 344 C ILE A 42 11.683 -11.741 -15.892 1.00 51.51 C ATOM 345 O ILE A 42 12.553 -10.871 -15.849 1.00 10.20 O ATOM 346 CB ILE A 42 11.866 -13.211 -17.901 1.00 1.15 C ATOM 347 CG1 ILE A 42 13.324 -12.761 -18.013 1.00 64.45 C ATOM 348 CG2 ILE A 42 11.297 -13.534 -19.275 1.00 2.45 C ATOM 349 CD1 ILE A 42 14.213 -13.766 -18.713 1.00 23.12 C ATOM 0 H ILE A 42 11.633 -10.298 -18.047 1.00 24.15 H new ATOM 0 HA ILE A 42 10.025 -12.516 -17.017 1.00 23.05 H new ATOM 0 HB ILE A 42 11.830 -14.116 -17.294 1.00 1.15 H new ATOM 0 HG12 ILE A 42 13.364 -11.815 -18.553 1.00 64.45 H new ATOM 0 HG13 ILE A 42 13.716 -12.575 -17.013 1.00 64.45 H new ATOM 0 HG21 ILE A 42 11.905 -14.305 -19.748 1.00 2.45 H new ATOM 0 HG22 ILE A 42 10.273 -13.892 -19.170 1.00 2.45 H new ATOM 0 HG23 ILE A 42 11.305 -12.636 -19.893 1.00 2.45 H new ATOM 0 HD11 ILE A 42 15.232 -13.382 -18.757 1.00 23.12 H new ATOM 0 HD12 ILE A 42 14.203 -14.706 -18.162 1.00 23.12 H new ATOM 0 HD13 ILE A 42 13.845 -13.935 -19.725 1.00 23.12 H new ATOM 361 N PHE A 43 11.264 -12.398 -14.816 1.00 30.55 N ATOM 362 CA PHE A 43 11.816 -12.130 -13.493 1.00 51.43 C ATOM 363 C PHE A 43 12.752 -13.253 -13.056 1.00 10.05 C ATOM 364 O PHE A 43 12.540 -14.418 -13.390 1.00 45.10 O ATOM 365 CB PHE A 43 10.689 -11.964 -12.471 1.00 40.34 C ATOM 366 CG PHE A 43 9.861 -10.729 -12.688 1.00 72.35 C ATOM 367 CD1 PHE A 43 10.463 -9.521 -13.000 1.00 72.33 C ATOM 368 CD2 PHE A 43 8.480 -10.778 -12.582 1.00 13.42 C ATOM 369 CE1 PHE A 43 9.702 -8.383 -13.200 1.00 22.51 C ATOM 370 CE2 PHE A 43 7.715 -9.644 -12.781 1.00 31.11 C ATOM 371 CZ PHE A 43 8.327 -8.446 -13.091 1.00 61.24 C ATOM 0 H PHE A 43 10.544 -13.120 -14.834 1.00 30.55 H new ATOM 0 HA PHE A 43 12.388 -11.204 -13.547 1.00 51.43 H new ATOM 0 HB2 PHE A 43 10.040 -12.839 -12.512 1.00 40.34 H new ATOM 0 HB3 PHE A 43 11.119 -11.933 -11.470 1.00 40.34 H new ATOM 0 HD1 PHE A 43 11.538 -9.467 -13.088 1.00 72.33 H new ATOM 0 HD2 PHE A 43 7.996 -11.713 -12.341 1.00 13.42 H new ATOM 0 HE1 PHE A 43 10.183 -7.447 -13.441 1.00 22.51 H new ATOM 0 HE2 PHE A 43 6.640 -9.695 -12.694 1.00 31.11 H new ATOM 0 HZ PHE A 43 7.731 -7.559 -13.248 1.00 61.24 H new ATOM 381 N SER A 44 13.789 -12.892 -12.306 1.00 70.12 N ATOM 382 CA SER A 44 14.761 -13.868 -11.826 1.00 11.21 C ATOM 383 C SER A 44 15.403 -13.399 -10.524 1.00 43.55 C ATOM 384 O SER A 44 14.905 -12.486 -9.865 1.00 72.12 O ATOM 385 CB SER A 44 15.841 -14.106 -12.884 1.00 73.31 C ATOM 386 OG SER A 44 16.051 -15.492 -13.093 1.00 54.42 O ATOM 0 H SER A 44 13.977 -11.932 -12.018 1.00 70.12 H new ATOM 0 HA SER A 44 14.236 -14.804 -11.636 1.00 11.21 H new ATOM 0 HB2 SER A 44 15.547 -13.634 -13.821 1.00 73.31 H new ATOM 0 HB3 SER A 44 16.773 -13.637 -12.569 1.00 73.31 H new ATOM 0 HG SER A 44 15.219 -15.979 -12.917 1.00 54.42 H new ATOM 392 N LYS A 45 16.515 -14.030 -10.159 1.00 14.01 N ATOM 393 CA LYS A 45 17.228 -13.678 -8.938 1.00 24.43 C ATOM 394 C LYS A 45 18.737 -13.736 -9.153 1.00 70.15 C ATOM 395 O LYS A 45 19.206 -13.900 -10.280 1.00 4.44 O ATOM 396 CB LYS A 45 16.829 -14.621 -7.800 1.00 51.20 C ATOM 397 CG LYS A 45 15.494 -14.274 -7.163 1.00 24.42 C ATOM 398 CD LYS A 45 15.535 -14.448 -5.654 1.00 55.30 C ATOM 399 CE LYS A 45 14.506 -15.463 -5.182 1.00 21.23 C ATOM 400 NZ LYS A 45 14.959 -16.186 -3.961 1.00 3.43 N ATOM 0 H LYS A 45 16.941 -14.788 -10.692 1.00 14.01 H new ATOM 0 HA LYS A 45 16.955 -12.657 -8.670 1.00 24.43 H new ATOM 0 HB2 LYS A 45 16.786 -15.641 -8.183 1.00 51.20 H new ATOM 0 HB3 LYS A 45 17.604 -14.601 -7.034 1.00 51.20 H new ATOM 0 HG2 LYS A 45 15.231 -13.244 -7.405 1.00 24.42 H new ATOM 0 HG3 LYS A 45 14.714 -14.909 -7.582 1.00 24.42 H new ATOM 0 HD2 LYS A 45 16.531 -14.770 -5.351 1.00 55.30 H new ATOM 0 HD3 LYS A 45 15.350 -13.489 -5.171 1.00 55.30 H new ATOM 0 HE2 LYS A 45 13.564 -14.955 -4.975 1.00 21.23 H new ATOM 0 HE3 LYS A 45 14.313 -16.181 -5.979 1.00 21.23 H new ATOM 0 HZ1 LYS A 45 14.150 -16.674 -3.526 1.00 3.43 H new ATOM 0 HZ2 LYS A 45 15.685 -16.884 -4.220 1.00 3.43 H new ATOM 0 HZ3 LYS A 45 15.359 -15.506 -3.283 1.00 3.43 H new ATOM 414 N SER A 46 19.492 -13.602 -8.067 1.00 52.10 N ATOM 415 CA SER A 46 20.947 -13.636 -8.138 1.00 24.53 C ATOM 416 C SER A 46 21.456 -15.075 -8.180 1.00 13.20 C ATOM 417 O SER A 46 22.262 -15.436 -9.037 1.00 12.14 O ATOM 418 CB SER A 46 21.555 -12.903 -6.941 1.00 30.22 C ATOM 419 OG SER A 46 22.951 -13.135 -6.856 1.00 54.31 O ATOM 0 H SER A 46 19.119 -13.469 -7.127 1.00 52.10 H new ATOM 0 HA SER A 46 21.253 -13.134 -9.056 1.00 24.53 H new ATOM 0 HB2 SER A 46 21.366 -11.833 -7.031 1.00 30.22 H new ATOM 0 HB3 SER A 46 21.071 -13.236 -6.023 1.00 30.22 H new ATOM 0 HG SER A 46 23.316 -12.654 -6.084 1.00 54.31 H new ATOM 425 N TYR A 47 20.977 -15.892 -7.247 1.00 52.31 N ATOM 426 CA TYR A 47 21.384 -17.289 -7.174 1.00 33.41 C ATOM 427 C TYR A 47 20.167 -18.210 -7.148 1.00 63.05 C ATOM 428 O TYR A 47 19.875 -18.843 -6.133 1.00 3.54 O ATOM 429 CB TYR A 47 22.244 -17.528 -5.932 1.00 62.04 C ATOM 430 CG TYR A 47 21.605 -17.044 -4.650 1.00 42.24 C ATOM 431 CD1 TYR A 47 21.531 -15.687 -4.358 1.00 31.14 C ATOM 432 CD2 TYR A 47 21.077 -17.942 -3.731 1.00 44.32 C ATOM 433 CE1 TYR A 47 20.949 -15.240 -3.188 1.00 14.03 C ATOM 434 CE2 TYR A 47 20.492 -17.504 -2.560 1.00 0.44 C ATOM 435 CZ TYR A 47 20.430 -16.152 -2.293 1.00 12.53 C ATOM 436 OH TYR A 47 19.850 -15.711 -1.125 1.00 32.20 O ATOM 0 H TYR A 47 20.307 -15.610 -6.532 1.00 52.31 H new ATOM 0 HA TYR A 47 21.971 -17.517 -8.064 1.00 33.41 H new ATOM 0 HB2 TYR A 47 22.452 -18.594 -5.844 1.00 62.04 H new ATOM 0 HB3 TYR A 47 23.203 -17.026 -6.062 1.00 62.04 H new ATOM 0 HD1 TYR A 47 21.935 -14.970 -5.058 1.00 31.14 H new ATOM 0 HD2 TYR A 47 21.125 -19.001 -3.936 1.00 44.32 H new ATOM 0 HE1 TYR A 47 20.901 -14.182 -2.975 1.00 14.03 H new ATOM 0 HE2 TYR A 47 20.085 -18.216 -1.857 1.00 0.44 H new ATOM 0 HH TYR A 47 19.534 -16.480 -0.606 1.00 32.20 H new ATOM 446 N CYS A 48 19.462 -18.280 -8.272 1.00 13.50 N ATOM 447 CA CYS A 48 18.277 -19.122 -8.379 1.00 53.44 C ATOM 448 C CYS A 48 18.173 -19.740 -9.770 1.00 54.13 C ATOM 449 O CYS A 48 17.712 -19.111 -10.723 1.00 4.21 O ATOM 450 CB CYS A 48 17.018 -18.309 -8.075 1.00 0.14 C ATOM 451 SG CYS A 48 16.929 -17.694 -6.377 1.00 2.54 S ATOM 0 H CYS A 48 19.691 -17.764 -9.121 1.00 13.50 H new ATOM 0 HA CYS A 48 18.367 -19.926 -7.649 1.00 53.44 H new ATOM 0 HB2 CYS A 48 16.971 -17.462 -8.760 1.00 0.14 H new ATOM 0 HB3 CYS A 48 16.142 -18.928 -8.272 1.00 0.14 H new ATOM 0 HG CYS A 48 17.981 -18.082 -5.719 1.00 2.54 H new ATOM 457 N PRO A 49 18.613 -21.001 -9.892 1.00 2.21 N ATOM 458 CA PRO A 49 18.581 -21.731 -11.162 1.00 65.01 C ATOM 459 C PRO A 49 17.162 -22.081 -11.595 1.00 21.11 C ATOM 460 O PRO A 49 16.216 -21.951 -10.818 1.00 32.33 O ATOM 461 CB PRO A 49 19.378 -23.003 -10.860 1.00 53.42 C ATOM 462 CG PRO A 49 19.245 -23.192 -9.389 1.00 42.11 C ATOM 463 CD PRO A 49 19.175 -21.812 -8.798 1.00 50.44 C ATOM 0 HA PRO A 49 18.989 -21.140 -11.982 1.00 65.01 H new ATOM 0 HB2 PRO A 49 18.981 -23.858 -11.407 1.00 53.42 H new ATOM 0 HB3 PRO A 49 20.422 -22.895 -11.153 1.00 53.42 H new ATOM 0 HG2 PRO A 49 18.349 -23.765 -9.149 1.00 42.11 H new ATOM 0 HG3 PRO A 49 20.094 -23.745 -8.988 1.00 42.11 H new ATOM 0 HD2 PRO A 49 18.541 -21.786 -7.912 1.00 50.44 H new ATOM 0 HD3 PRO A 49 20.159 -21.453 -8.496 1.00 50.44 H new ATOM 471 N HIS A 50 17.020 -22.525 -12.840 1.00 13.04 N ATOM 472 CA HIS A 50 15.714 -22.896 -13.375 1.00 5.15 C ATOM 473 C HIS A 50 14.968 -21.667 -13.886 1.00 43.23 C ATOM 474 O HIS A 50 14.459 -21.659 -15.007 1.00 73.24 O ATOM 475 CB HIS A 50 14.882 -23.602 -12.304 1.00 63.14 C ATOM 476 CG HIS A 50 14.030 -24.710 -12.843 1.00 70.33 C ATOM 477 ND1 HIS A 50 13.597 -25.768 -12.073 1.00 35.24 N ATOM 478 CD2 HIS A 50 13.529 -24.919 -14.082 1.00 64.45 C ATOM 479 CE1 HIS A 50 12.868 -26.582 -12.815 1.00 41.13 C ATOM 480 NE2 HIS A 50 12.811 -26.089 -14.040 1.00 71.40 N ATOM 0 H HIS A 50 17.792 -22.637 -13.497 1.00 13.04 H new ATOM 0 HA HIS A 50 15.872 -23.578 -14.210 1.00 5.15 H new ATOM 0 HB2 HIS A 50 15.550 -24.005 -11.543 1.00 63.14 H new ATOM 0 HB3 HIS A 50 14.243 -22.870 -11.811 1.00 63.14 H new ATOM 0 HD2 HIS A 50 13.668 -24.284 -14.944 1.00 64.45 H new ATOM 0 HE1 HIS A 50 12.399 -27.495 -12.478 1.00 41.13 H new ATOM 0 HE2 HIS A 50 12.315 -26.509 -14.826 1.00 71.40 H new ATOM 488 N SER A 51 14.908 -20.629 -13.057 1.00 44.22 N ATOM 489 CA SER A 51 14.221 -19.396 -13.424 1.00 24.42 C ATOM 490 C SER A 51 15.068 -18.568 -14.386 1.00 71.23 C ATOM 491 O SER A 51 14.543 -17.780 -15.174 1.00 1.25 O ATOM 492 CB SER A 51 13.899 -18.576 -12.174 1.00 23.13 C ATOM 493 OG SER A 51 13.719 -17.207 -12.495 1.00 13.12 O ATOM 0 H SER A 51 15.327 -20.618 -12.127 1.00 44.22 H new ATOM 0 HA SER A 51 13.290 -19.662 -13.925 1.00 24.42 H new ATOM 0 HB2 SER A 51 12.996 -18.964 -11.703 1.00 23.13 H new ATOM 0 HB3 SER A 51 14.706 -18.680 -11.449 1.00 23.13 H new ATOM 0 HG SER A 51 13.300 -16.746 -11.739 1.00 13.12 H new ATOM 499 N THR A 52 16.383 -18.752 -14.317 1.00 32.25 N ATOM 500 CA THR A 52 17.303 -18.022 -15.179 1.00 2.02 C ATOM 501 C THR A 52 17.461 -18.715 -16.526 1.00 60.12 C ATOM 502 O THR A 52 17.463 -18.066 -17.573 1.00 22.43 O ATOM 503 CB THR A 52 18.690 -17.876 -14.523 1.00 55.54 C ATOM 504 OG1 THR A 52 18.621 -16.957 -13.429 1.00 15.24 O ATOM 505 CG2 THR A 52 19.718 -17.391 -15.535 1.00 54.14 C ATOM 0 H THR A 52 16.834 -19.401 -13.672 1.00 32.25 H new ATOM 0 HA THR A 52 16.875 -17.031 -15.332 1.00 2.02 H new ATOM 0 HB THR A 52 18.998 -18.855 -14.155 1.00 55.54 H new ATOM 0 HG1 THR A 52 17.732 -16.544 -13.404 1.00 15.24 H new ATOM 0 HG21 THR A 52 20.689 -17.295 -15.050 1.00 54.14 H new ATOM 0 HG22 THR A 52 19.790 -18.108 -16.353 1.00 54.14 H new ATOM 0 HG23 THR A 52 19.412 -16.422 -15.929 1.00 54.14 H new ATOM 513 N ARG A 53 17.591 -20.038 -16.494 1.00 53.25 N ATOM 514 CA ARG A 53 17.750 -20.820 -17.715 1.00 11.40 C ATOM 515 C ARG A 53 16.660 -20.476 -18.726 1.00 54.24 C ATOM 516 O ARG A 53 16.925 -20.339 -19.920 1.00 22.42 O ATOM 517 CB ARG A 53 17.713 -22.315 -17.397 1.00 53.23 C ATOM 518 CG ARG A 53 16.837 -23.118 -18.345 1.00 61.10 C ATOM 519 CD ARG A 53 16.882 -24.603 -18.022 1.00 30.40 C ATOM 520 NE ARG A 53 17.177 -25.411 -19.202 1.00 24.41 N ATOM 521 CZ ARG A 53 17.270 -26.737 -19.181 1.00 54.00 C ATOM 522 NH1 ARG A 53 17.091 -27.399 -18.046 1.00 73.32 N ATOM 523 NH2 ARG A 53 17.541 -27.402 -20.297 1.00 14.20 N ATOM 0 H ARG A 53 17.589 -20.590 -15.636 1.00 53.25 H new ATOM 0 HA ARG A 53 18.718 -20.573 -18.152 1.00 11.40 H new ATOM 0 HB2 ARG A 53 18.728 -22.710 -17.431 1.00 53.23 H new ATOM 0 HB3 ARG A 53 17.352 -22.452 -16.378 1.00 53.23 H new ATOM 0 HG2 ARG A 53 15.809 -22.762 -18.282 1.00 61.10 H new ATOM 0 HG3 ARG A 53 17.167 -22.958 -19.371 1.00 61.10 H new ATOM 0 HD2 ARG A 53 17.639 -24.785 -17.259 1.00 30.40 H new ATOM 0 HD3 ARG A 53 15.925 -24.912 -17.601 1.00 30.40 H new ATOM 0 HE ARG A 53 17.320 -24.932 -20.091 1.00 24.41 H new ATOM 0 HH11 ARG A 53 16.881 -26.891 -17.187 1.00 73.32 H new ATOM 0 HH12 ARG A 53 17.163 -28.416 -18.032 1.00 73.32 H new ATOM 0 HH21 ARG A 53 17.678 -26.896 -21.172 1.00 14.20 H new ATOM 0 HH22 ARG A 53 17.612 -28.419 -20.280 1.00 14.20 H new ATOM 537 N VAL A 54 15.429 -20.339 -18.240 1.00 23.33 N ATOM 538 CA VAL A 54 14.299 -20.012 -19.100 1.00 15.13 C ATOM 539 C VAL A 54 14.585 -18.768 -19.933 1.00 13.30 C ATOM 540 O VAL A 54 13.986 -18.564 -20.989 1.00 14.52 O ATOM 541 CB VAL A 54 13.016 -19.782 -18.278 1.00 25.44 C ATOM 542 CG1 VAL A 54 13.067 -18.435 -17.573 1.00 62.33 C ATOM 543 CG2 VAL A 54 11.788 -19.882 -19.169 1.00 13.22 C ATOM 0 H VAL A 54 15.190 -20.450 -17.255 1.00 23.33 H new ATOM 0 HA VAL A 54 14.149 -20.864 -19.763 1.00 15.13 H new ATOM 0 HB VAL A 54 12.948 -20.560 -17.517 1.00 25.44 H new ATOM 0 HG11 VAL A 54 12.153 -18.291 -16.998 1.00 62.33 H new ATOM 0 HG12 VAL A 54 13.926 -18.408 -16.902 1.00 62.33 H new ATOM 0 HG13 VAL A 54 13.159 -17.640 -18.313 1.00 62.33 H new ATOM 0 HG21 VAL A 54 10.891 -19.717 -18.572 1.00 13.22 H new ATOM 0 HG22 VAL A 54 11.846 -19.128 -19.954 1.00 13.22 H new ATOM 0 HG23 VAL A 54 11.746 -20.873 -19.621 1.00 13.22 H new ATOM 553 N LYS A 55 15.504 -17.939 -19.451 1.00 41.02 N ATOM 554 CA LYS A 55 15.872 -16.714 -20.152 1.00 10.42 C ATOM 555 C LYS A 55 16.657 -17.028 -21.422 1.00 23.12 C ATOM 556 O LYS A 55 16.605 -16.278 -22.396 1.00 23.41 O ATOM 557 CB LYS A 55 16.701 -15.808 -19.238 1.00 21.41 C ATOM 558 CG LYS A 55 18.201 -15.988 -19.401 1.00 22.31 C ATOM 559 CD LYS A 55 18.974 -15.188 -18.367 1.00 24.24 C ATOM 560 CE LYS A 55 20.427 -15.633 -18.291 1.00 41.01 C ATOM 561 NZ LYS A 55 21.231 -14.751 -17.399 1.00 63.25 N ATOM 0 H LYS A 55 16.008 -18.093 -18.578 1.00 41.02 H new ATOM 0 HA LYS A 55 14.955 -16.196 -20.432 1.00 10.42 H new ATOM 0 HB2 LYS A 55 16.444 -14.768 -19.441 1.00 21.41 H new ATOM 0 HB3 LYS A 55 16.430 -16.007 -18.201 1.00 21.41 H new ATOM 0 HG2 LYS A 55 18.454 -17.044 -19.308 1.00 22.31 H new ATOM 0 HG3 LYS A 55 18.499 -15.675 -20.402 1.00 22.31 H new ATOM 0 HD2 LYS A 55 18.929 -14.128 -18.618 1.00 24.24 H new ATOM 0 HD3 LYS A 55 18.505 -15.305 -17.390 1.00 24.24 H new ATOM 0 HE2 LYS A 55 20.474 -16.659 -17.926 1.00 41.01 H new ATOM 0 HE3 LYS A 55 20.861 -15.630 -19.291 1.00 41.01 H new ATOM 0 HZ1 LYS A 55 22.215 -15.087 -17.374 1.00 63.25 H new ATOM 0 HZ2 LYS A 55 21.207 -13.776 -17.761 1.00 63.25 H new ATOM 0 HZ3 LYS A 55 20.833 -14.773 -16.438 1.00 63.25 H new ATOM 575 N GLU A 56 17.383 -18.142 -21.403 1.00 75.34 N ATOM 576 CA GLU A 56 18.178 -18.555 -22.553 1.00 41.45 C ATOM 577 C GLU A 56 17.281 -18.893 -23.742 1.00 2.14 C ATOM 578 O GLU A 56 17.730 -18.912 -24.888 1.00 2.01 O ATOM 579 CB GLU A 56 19.046 -19.763 -22.196 1.00 52.22 C ATOM 580 CG GLU A 56 20.216 -19.423 -21.288 1.00 24.30 C ATOM 581 CD GLU A 56 20.869 -20.656 -20.693 1.00 64.02 C ATOM 582 OE1 GLU A 56 20.175 -21.410 -19.980 1.00 12.30 O ATOM 583 OE2 GLU A 56 22.075 -20.867 -20.941 1.00 53.44 O ATOM 0 H GLU A 56 17.437 -18.774 -20.604 1.00 75.34 H new ATOM 0 HA GLU A 56 18.824 -17.723 -22.832 1.00 41.45 H new ATOM 0 HB2 GLU A 56 18.425 -20.515 -21.709 1.00 52.22 H new ATOM 0 HB3 GLU A 56 19.427 -20.210 -23.114 1.00 52.22 H new ATOM 0 HG2 GLU A 56 20.959 -18.860 -21.853 1.00 24.30 H new ATOM 0 HG3 GLU A 56 19.870 -18.775 -20.483 1.00 24.30 H new ATOM 590 N LEU A 57 16.011 -19.160 -23.458 1.00 50.13 N ATOM 591 CA LEU A 57 15.049 -19.498 -24.502 1.00 64.22 C ATOM 592 C LEU A 57 14.831 -18.319 -25.446 1.00 24.35 C ATOM 593 O LEU A 57 15.151 -18.393 -26.632 1.00 34.52 O ATOM 594 CB LEU A 57 13.718 -19.920 -23.879 1.00 33.45 C ATOM 595 CG LEU A 57 13.650 -21.352 -23.346 1.00 74.25 C ATOM 596 CD1 LEU A 57 13.910 -22.350 -24.464 1.00 2.23 C ATOM 597 CD2 LEU A 57 14.644 -21.547 -22.212 1.00 32.21 C ATOM 0 H LEU A 57 15.623 -19.149 -22.515 1.00 50.13 H new ATOM 0 HA LEU A 57 15.454 -20.330 -25.078 1.00 64.22 H new ATOM 0 HB2 LEU A 57 13.491 -19.238 -23.060 1.00 33.45 H new ATOM 0 HB3 LEU A 57 12.934 -19.794 -24.626 1.00 33.45 H new ATOM 0 HG LEU A 57 12.647 -21.527 -22.956 1.00 74.25 H new ATOM 0 HD11 LEU A 57 13.858 -23.364 -24.066 1.00 2.23 H new ATOM 0 HD12 LEU A 57 13.158 -22.227 -25.244 1.00 2.23 H new ATOM 0 HD13 LEU A 57 14.901 -22.176 -24.884 1.00 2.23 H new ATOM 0 HD21 LEU A 57 14.581 -22.572 -21.845 1.00 32.21 H new ATOM 0 HD22 LEU A 57 15.653 -21.353 -22.575 1.00 32.21 H new ATOM 0 HD23 LEU A 57 14.411 -20.857 -21.401 1.00 32.21 H new ATOM 609 N PHE A 58 14.288 -17.232 -24.909 1.00 20.44 N ATOM 610 CA PHE A 58 14.028 -16.036 -25.702 1.00 24.44 C ATOM 611 C PHE A 58 15.301 -15.558 -26.396 1.00 54.23 C ATOM 612 O PHE A 58 15.288 -15.230 -27.583 1.00 21.23 O ATOM 613 CB PHE A 58 13.468 -14.922 -24.816 1.00 70.30 C ATOM 614 CG PHE A 58 12.153 -15.269 -24.178 1.00 31.15 C ATOM 615 CD1 PHE A 58 11.247 -16.089 -24.829 1.00 12.11 C ATOM 616 CD2 PHE A 58 11.824 -14.773 -22.925 1.00 72.45 C ATOM 617 CE1 PHE A 58 10.036 -16.410 -24.244 1.00 61.13 C ATOM 618 CE2 PHE A 58 10.615 -15.091 -22.336 1.00 31.42 C ATOM 619 CZ PHE A 58 9.719 -15.910 -22.997 1.00 31.21 C ATOM 0 H PHE A 58 14.019 -17.154 -23.928 1.00 20.44 H new ATOM 0 HA PHE A 58 13.291 -16.288 -26.464 1.00 24.44 H new ATOM 0 HB2 PHE A 58 14.192 -14.691 -24.035 1.00 70.30 H new ATOM 0 HB3 PHE A 58 13.346 -14.019 -25.414 1.00 70.30 H new ATOM 0 HD1 PHE A 58 11.489 -16.483 -25.805 1.00 12.11 H new ATOM 0 HD2 PHE A 58 12.520 -14.132 -22.404 1.00 72.45 H new ATOM 0 HE1 PHE A 58 9.339 -17.051 -24.762 1.00 61.13 H new ATOM 0 HE2 PHE A 58 10.370 -14.700 -21.360 1.00 31.42 H new ATOM 0 HZ PHE A 58 8.773 -16.158 -22.539 1.00 31.21 H new ATOM 629 N SER A 59 16.398 -15.519 -25.646 1.00 41.11 N ATOM 630 CA SER A 59 17.677 -15.077 -26.187 1.00 44.05 C ATOM 631 C SER A 59 18.112 -15.963 -27.351 1.00 11.54 C ATOM 632 O SER A 59 18.527 -15.470 -28.399 1.00 44.25 O ATOM 633 CB SER A 59 18.748 -15.089 -25.094 1.00 63.01 C ATOM 634 OG SER A 59 19.766 -14.140 -25.367 1.00 33.23 O ATOM 0 H SER A 59 16.426 -15.788 -24.663 1.00 41.11 H new ATOM 0 HA SER A 59 17.554 -14.059 -26.556 1.00 44.05 H new ATOM 0 HB2 SER A 59 18.290 -14.869 -24.130 1.00 63.01 H new ATOM 0 HB3 SER A 59 19.185 -16.085 -25.020 1.00 63.01 H new ATOM 0 HG SER A 59 20.437 -14.166 -24.653 1.00 33.23 H new ATOM 640 N SER A 60 18.012 -17.275 -27.156 1.00 44.43 N ATOM 641 CA SER A 60 18.398 -18.231 -28.187 1.00 32.31 C ATOM 642 C SER A 60 17.322 -18.332 -29.265 1.00 3.53 C ATOM 643 O SER A 60 17.483 -19.046 -30.255 1.00 3.00 O ATOM 644 CB SER A 60 18.645 -19.608 -27.568 1.00 3.35 C ATOM 645 OG SER A 60 19.084 -20.535 -28.546 1.00 11.02 O ATOM 0 H SER A 60 17.667 -17.699 -26.295 1.00 44.43 H new ATOM 0 HA SER A 60 19.319 -17.877 -28.649 1.00 32.31 H new ATOM 0 HB2 SER A 60 19.392 -19.527 -26.778 1.00 3.35 H new ATOM 0 HB3 SER A 60 17.728 -19.971 -27.104 1.00 3.35 H new ATOM 0 HG SER A 60 18.642 -20.344 -29.399 1.00 11.02 H new ATOM 651 N LEU A 61 16.224 -17.611 -29.064 1.00 65.43 N ATOM 652 CA LEU A 61 15.120 -17.618 -30.018 1.00 24.53 C ATOM 653 C LEU A 61 15.274 -16.494 -31.038 1.00 35.14 C ATOM 654 O LEU A 61 14.717 -16.555 -32.133 1.00 1.31 O ATOM 655 CB LEU A 61 13.785 -17.478 -29.284 1.00 10.34 C ATOM 656 CG LEU A 61 12.536 -17.439 -30.164 1.00 53.52 C ATOM 657 CD1 LEU A 61 12.334 -16.047 -30.743 1.00 51.00 C ATOM 658 CD2 LEU A 61 12.635 -18.472 -31.277 1.00 32.14 C ATOM 0 H LEU A 61 16.075 -17.015 -28.250 1.00 65.43 H new ATOM 0 HA LEU A 61 15.137 -18.570 -30.549 1.00 24.53 H new ATOM 0 HB2 LEU A 61 13.688 -18.310 -28.587 1.00 10.34 H new ATOM 0 HB3 LEU A 61 13.814 -16.565 -28.689 1.00 10.34 H new ATOM 0 HG LEU A 61 11.672 -17.682 -29.546 1.00 53.52 H new ATOM 0 HD11 LEU A 61 11.440 -16.039 -31.367 1.00 51.00 H new ATOM 0 HD12 LEU A 61 12.217 -15.329 -29.931 1.00 51.00 H new ATOM 0 HD13 LEU A 61 13.200 -15.775 -31.346 1.00 51.00 H new ATOM 0 HD21 LEU A 61 11.737 -18.430 -31.893 1.00 32.14 H new ATOM 0 HD22 LEU A 61 13.509 -18.260 -31.893 1.00 32.14 H new ATOM 0 HD23 LEU A 61 12.730 -19.467 -30.842 1.00 32.14 H new ATOM 670 N GLY A 62 16.035 -15.468 -30.669 1.00 53.43 N ATOM 671 CA GLY A 62 16.251 -14.345 -31.564 1.00 35.43 C ATOM 672 C GLY A 62 15.462 -13.117 -31.153 1.00 21.44 C ATOM 673 O GLY A 62 15.461 -12.107 -31.857 1.00 74.33 O ATOM 0 H GLY A 62 16.506 -15.394 -29.767 1.00 53.43 H new ATOM 0 HA2 GLY A 62 17.313 -14.100 -31.586 1.00 35.43 H new ATOM 0 HA3 GLY A 62 15.969 -14.632 -32.577 1.00 35.43 H new ATOM 677 N VAL A 63 14.789 -13.203 -30.009 1.00 54.15 N ATOM 678 CA VAL A 63 13.992 -12.091 -29.507 1.00 5.05 C ATOM 679 C VAL A 63 14.579 -11.536 -28.214 1.00 12.34 C ATOM 680 O VAL A 63 15.123 -12.279 -27.397 1.00 0.03 O ATOM 681 CB VAL A 63 12.533 -12.514 -29.255 1.00 13.34 C ATOM 682 CG1 VAL A 63 12.328 -12.886 -27.794 1.00 42.44 C ATOM 683 CG2 VAL A 63 11.578 -11.405 -29.670 1.00 70.13 C ATOM 0 H VAL A 63 14.780 -14.031 -29.413 1.00 54.15 H new ATOM 0 HA VAL A 63 14.010 -11.317 -30.274 1.00 5.05 H new ATOM 0 HB VAL A 63 12.319 -13.394 -29.862 1.00 13.34 H new ATOM 0 HG11 VAL A 63 11.291 -13.182 -27.636 1.00 42.44 H new ATOM 0 HG12 VAL A 63 12.986 -13.715 -27.534 1.00 42.44 H new ATOM 0 HG13 VAL A 63 12.560 -12.027 -27.164 1.00 42.44 H new ATOM 0 HG21 VAL A 63 10.551 -11.721 -29.485 1.00 70.13 H new ATOM 0 HG22 VAL A 63 11.791 -10.506 -29.091 1.00 70.13 H new ATOM 0 HG23 VAL A 63 11.707 -11.192 -30.731 1.00 70.13 H new ATOM 693 N VAL A 64 14.465 -10.224 -28.034 1.00 12.51 N ATOM 694 CA VAL A 64 14.982 -9.567 -26.839 1.00 24.12 C ATOM 695 C VAL A 64 13.942 -9.555 -25.725 1.00 50.41 C ATOM 696 O VAL A 64 12.739 -9.583 -25.984 1.00 53.22 O ATOM 697 CB VAL A 64 15.417 -8.120 -27.137 1.00 1.11 C ATOM 698 CG1 VAL A 64 16.183 -7.539 -25.958 1.00 35.14 C ATOM 699 CG2 VAL A 64 16.255 -8.066 -28.405 1.00 60.15 C ATOM 0 H VAL A 64 14.019 -9.594 -28.701 1.00 12.51 H new ATOM 0 HA VAL A 64 15.851 -10.139 -26.514 1.00 24.12 H new ATOM 0 HB VAL A 64 14.523 -7.516 -27.293 1.00 1.11 H new ATOM 0 HG11 VAL A 64 16.482 -6.516 -26.187 1.00 35.14 H new ATOM 0 HG12 VAL A 64 15.546 -7.541 -25.073 1.00 35.14 H new ATOM 0 HG13 VAL A 64 17.070 -8.143 -25.768 1.00 35.14 H new ATOM 0 HG21 VAL A 64 16.554 -7.036 -28.600 1.00 60.15 H new ATOM 0 HG22 VAL A 64 17.144 -8.684 -28.280 1.00 60.15 H new ATOM 0 HG23 VAL A 64 15.669 -8.439 -29.245 1.00 60.15 H new ATOM 709 N TYR A 65 14.414 -9.512 -24.484 1.00 1.13 N ATOM 710 CA TYR A 65 13.524 -9.497 -23.328 1.00 2.11 C ATOM 711 C TYR A 65 14.140 -8.709 -22.176 1.00 41.04 C ATOM 712 O TYR A 65 15.335 -8.418 -22.178 1.00 62.23 O ATOM 713 CB TYR A 65 13.217 -10.926 -22.876 1.00 51.33 C ATOM 714 CG TYR A 65 14.453 -11.761 -22.628 1.00 74.11 C ATOM 715 CD1 TYR A 65 15.149 -12.337 -23.684 1.00 51.11 C ATOM 716 CD2 TYR A 65 14.923 -11.976 -21.339 1.00 3.34 C ATOM 717 CE1 TYR A 65 16.278 -13.102 -23.462 1.00 40.11 C ATOM 718 CE2 TYR A 65 16.052 -12.738 -21.107 1.00 61.03 C ATOM 719 CZ TYR A 65 16.726 -13.299 -22.172 1.00 31.23 C ATOM 720 OH TYR A 65 17.850 -14.059 -21.945 1.00 70.44 O ATOM 0 H TYR A 65 15.407 -9.487 -24.252 1.00 1.13 H new ATOM 0 HA TYR A 65 12.595 -9.008 -23.623 1.00 2.11 H new ATOM 0 HB2 TYR A 65 12.624 -10.890 -21.962 1.00 51.33 H new ATOM 0 HB3 TYR A 65 12.605 -11.414 -23.634 1.00 51.33 H new ATOM 0 HD1 TYR A 65 14.802 -12.184 -24.695 1.00 51.11 H new ATOM 0 HD2 TYR A 65 14.397 -11.540 -20.503 1.00 3.34 H new ATOM 0 HE1 TYR A 65 16.807 -13.543 -24.294 1.00 40.11 H new ATOM 0 HE2 TYR A 65 16.405 -12.893 -20.098 1.00 61.03 H new ATOM 0 HH TYR A 65 17.718 -14.957 -22.314 1.00 70.44 H new ATOM 730 N ASN A 66 13.313 -8.369 -21.193 1.00 4.44 N ATOM 731 CA ASN A 66 13.776 -7.614 -20.034 1.00 24.04 C ATOM 732 C ASN A 66 14.104 -8.548 -18.872 1.00 13.02 C ATOM 733 O ASN A 66 13.246 -9.300 -18.407 1.00 0.44 O ATOM 734 CB ASN A 66 12.715 -6.599 -19.602 1.00 75.22 C ATOM 735 CG ASN A 66 13.187 -5.717 -18.463 1.00 41.11 C ATOM 736 OD1 ASN A 66 12.476 -5.524 -17.477 1.00 32.23 O ATOM 737 ND2 ASN A 66 14.393 -5.176 -18.593 1.00 70.34 N ATOM 0 H ASN A 66 12.321 -8.604 -21.175 1.00 4.44 H new ATOM 0 HA ASN A 66 14.684 -7.082 -20.318 1.00 24.04 H new ATOM 0 HB2 ASN A 66 12.446 -5.974 -20.454 1.00 75.22 H new ATOM 0 HB3 ASN A 66 11.812 -7.129 -19.297 1.00 75.22 H new ATOM 0 HD21 ASN A 66 14.764 -4.574 -17.858 1.00 70.34 H new ATOM 0 HD22 ASN A 66 14.949 -5.363 -19.428 1.00 70.34 H new ATOM 744 N ILE A 67 15.348 -8.494 -18.409 1.00 55.43 N ATOM 745 CA ILE A 67 15.787 -9.334 -17.302 1.00 2.23 C ATOM 746 C ILE A 67 15.919 -8.523 -16.016 1.00 65.34 C ATOM 747 O ILE A 67 16.740 -7.609 -15.927 1.00 63.00 O ATOM 748 CB ILE A 67 17.137 -10.010 -17.610 1.00 32.23 C ATOM 749 CG1 ILE A 67 17.130 -10.589 -19.025 1.00 73.42 C ATOM 750 CG2 ILE A 67 17.428 -11.098 -16.587 1.00 3.35 C ATOM 751 CD1 ILE A 67 17.836 -9.716 -20.039 1.00 32.21 C ATOM 0 H ILE A 67 16.069 -7.878 -18.783 1.00 55.43 H new ATOM 0 HA ILE A 67 15.027 -10.103 -17.168 1.00 2.23 H new ATOM 0 HB ILE A 67 17.926 -9.260 -17.549 1.00 32.23 H new ATOM 0 HG12 ILE A 67 17.604 -11.570 -19.010 1.00 73.42 H new ATOM 0 HG13 ILE A 67 16.098 -10.739 -19.342 1.00 73.42 H new ATOM 0 HG21 ILE A 67 18.385 -11.567 -16.817 1.00 3.35 H new ATOM 0 HG22 ILE A 67 17.469 -10.659 -15.590 1.00 3.35 H new ATOM 0 HG23 ILE A 67 16.639 -11.849 -16.620 1.00 3.35 H new ATOM 0 HD11 ILE A 67 17.792 -10.189 -21.020 1.00 32.21 H new ATOM 0 HD12 ILE A 67 17.348 -8.742 -20.083 1.00 32.21 H new ATOM 0 HD13 ILE A 67 18.878 -9.587 -19.745 1.00 32.21 H new ATOM 763 N LEU A 68 15.107 -8.865 -15.023 1.00 2.14 N ATOM 764 CA LEU A 68 15.133 -8.171 -13.740 1.00 54.32 C ATOM 765 C LEU A 68 15.265 -9.162 -12.588 1.00 2.05 C ATOM 766 O LEU A 68 14.531 -10.146 -12.516 1.00 63.54 O ATOM 767 CB LEU A 68 13.865 -7.334 -13.564 1.00 42.32 C ATOM 768 CG LEU A 68 13.390 -6.568 -14.800 1.00 1.14 C ATOM 769 CD1 LEU A 68 12.248 -5.631 -14.441 1.00 34.12 C ATOM 770 CD2 LEU A 68 14.543 -5.792 -15.422 1.00 23.01 C ATOM 0 H LEU A 68 14.422 -9.619 -15.081 1.00 2.14 H new ATOM 0 HA LEU A 68 16.001 -7.511 -13.730 1.00 54.32 H new ATOM 0 HB2 LEU A 68 13.061 -7.993 -13.238 1.00 42.32 H new ATOM 0 HB3 LEU A 68 14.035 -6.618 -12.760 1.00 42.32 H new ATOM 0 HG LEU A 68 13.025 -7.288 -15.532 1.00 1.14 H new ATOM 0 HD11 LEU A 68 11.923 -5.095 -15.333 1.00 34.12 H new ATOM 0 HD12 LEU A 68 11.415 -6.209 -14.042 1.00 34.12 H new ATOM 0 HD13 LEU A 68 12.586 -4.916 -13.691 1.00 34.12 H new ATOM 0 HD21 LEU A 68 14.187 -5.253 -16.300 1.00 23.01 H new ATOM 0 HD22 LEU A 68 14.937 -5.082 -14.695 1.00 23.01 H new ATOM 0 HD23 LEU A 68 15.331 -6.485 -15.716 1.00 23.01 H new ATOM 782 N GLU A 69 16.205 -8.891 -11.686 1.00 62.25 N ATOM 783 CA GLU A 69 16.432 -9.759 -10.537 1.00 33.21 C ATOM 784 C GLU A 69 15.856 -9.141 -9.266 1.00 51.42 C ATOM 785 O GLU A 69 16.348 -8.121 -8.780 1.00 13.53 O ATOM 786 CB GLU A 69 17.929 -10.021 -10.355 1.00 74.41 C ATOM 787 CG GLU A 69 18.646 -10.371 -11.648 1.00 51.11 C ATOM 788 CD GLU A 69 19.645 -9.309 -12.066 1.00 73.42 C ATOM 789 OE1 GLU A 69 19.303 -8.110 -11.992 1.00 41.24 O ATOM 790 OE2 GLU A 69 20.769 -9.678 -12.467 1.00 52.23 O ATOM 0 H GLU A 69 16.820 -8.078 -11.730 1.00 62.25 H new ATOM 0 HA GLU A 69 15.924 -10.705 -10.724 1.00 33.21 H new ATOM 0 HB2 GLU A 69 18.394 -9.137 -9.919 1.00 74.41 H new ATOM 0 HB3 GLU A 69 18.063 -10.835 -9.643 1.00 74.41 H new ATOM 0 HG2 GLU A 69 19.163 -11.323 -11.527 1.00 51.11 H new ATOM 0 HG3 GLU A 69 17.911 -10.506 -12.442 1.00 51.11 H new ATOM 797 N LEU A 70 14.809 -9.763 -8.734 1.00 44.32 N ATOM 798 CA LEU A 70 14.165 -9.274 -7.520 1.00 72.53 C ATOM 799 C LEU A 70 15.045 -9.520 -6.299 1.00 70.41 C ATOM 800 O LEU A 70 14.752 -9.040 -5.204 1.00 53.11 O ATOM 801 CB LEU A 70 12.808 -9.955 -7.331 1.00 2.40 C ATOM 802 CG LEU A 70 12.735 -11.429 -7.729 1.00 72.33 C ATOM 803 CD1 LEU A 70 11.965 -12.227 -6.688 1.00 10.44 C ATOM 804 CD2 LEU A 70 12.094 -11.580 -9.100 1.00 53.11 C ATOM 0 H LEU A 70 14.388 -10.606 -9.124 1.00 44.32 H new ATOM 0 HA LEU A 70 14.015 -8.199 -7.625 1.00 72.53 H new ATOM 0 HB2 LEU A 70 12.523 -9.868 -6.282 1.00 2.40 H new ATOM 0 HB3 LEU A 70 12.065 -9.406 -7.909 1.00 2.40 H new ATOM 0 HG LEU A 70 13.751 -11.822 -7.779 1.00 72.33 H new ATOM 0 HD11 LEU A 70 11.924 -13.274 -6.989 1.00 10.44 H new ATOM 0 HD12 LEU A 70 12.467 -12.146 -5.724 1.00 10.44 H new ATOM 0 HD13 LEU A 70 10.952 -11.834 -6.604 1.00 10.44 H new ATOM 0 HD21 LEU A 70 12.050 -12.636 -9.367 1.00 53.11 H new ATOM 0 HD22 LEU A 70 11.084 -11.170 -9.077 1.00 53.11 H new ATOM 0 HD23 LEU A 70 12.687 -11.043 -9.840 1.00 53.11 H new ATOM 816 N ASP A 71 16.125 -10.268 -6.495 1.00 73.51 N ATOM 817 CA ASP A 71 17.050 -10.576 -5.411 1.00 42.42 C ATOM 818 C ASP A 71 18.057 -9.446 -5.221 1.00 1.04 C ATOM 819 O ASP A 71 18.952 -9.536 -4.380 1.00 11.54 O ATOM 820 CB ASP A 71 17.784 -11.888 -5.694 1.00 15.54 C ATOM 821 CG ASP A 71 18.026 -12.698 -4.436 1.00 61.20 C ATOM 822 OD1 ASP A 71 17.783 -12.166 -3.333 1.00 20.45 O ATOM 823 OD2 ASP A 71 18.460 -13.863 -4.555 1.00 62.11 O ATOM 0 H ASP A 71 16.382 -10.673 -7.395 1.00 73.51 H new ATOM 0 HA ASP A 71 16.473 -10.684 -4.493 1.00 42.42 H new ATOM 0 HB2 ASP A 71 17.202 -12.482 -6.399 1.00 15.54 H new ATOM 0 HB3 ASP A 71 18.739 -11.671 -6.172 1.00 15.54 H new ATOM 828 N GLN A 72 17.905 -8.385 -6.006 1.00 40.44 N ATOM 829 CA GLN A 72 18.803 -7.239 -5.925 1.00 23.33 C ATOM 830 C GLN A 72 18.035 -5.970 -5.572 1.00 51.45 C ATOM 831 O GLN A 72 18.629 -4.930 -5.291 1.00 2.41 O ATOM 832 CB GLN A 72 19.545 -7.050 -7.249 1.00 1.30 C ATOM 833 CG GLN A 72 20.561 -8.143 -7.538 1.00 43.45 C ATOM 834 CD GLN A 72 21.591 -8.289 -6.436 1.00 34.51 C ATOM 835 OE1 GLN A 72 22.371 -7.373 -6.173 1.00 43.01 O ATOM 836 NE2 GLN A 72 21.599 -9.445 -5.782 1.00 2.12 N ATOM 0 H GLN A 72 17.168 -8.295 -6.706 1.00 40.44 H new ATOM 0 HA GLN A 72 19.529 -7.433 -5.136 1.00 23.33 H new ATOM 0 HB2 GLN A 72 18.819 -7.016 -8.061 1.00 1.30 H new ATOM 0 HB3 GLN A 72 20.054 -6.086 -7.236 1.00 1.30 H new ATOM 0 HG2 GLN A 72 20.041 -9.091 -7.671 1.00 43.45 H new ATOM 0 HG3 GLN A 72 21.068 -7.923 -8.477 1.00 43.45 H new ATOM 0 HE21 GLN A 72 20.935 -10.177 -6.033 1.00 2.12 H new ATOM 0 HE22 GLN A 72 22.269 -9.600 -5.029 1.00 2.12 H new ATOM 845 N VAL A 73 16.708 -6.062 -5.592 1.00 4.44 N ATOM 846 CA VAL A 73 15.859 -4.921 -5.274 1.00 12.12 C ATOM 847 C VAL A 73 15.721 -4.741 -3.766 1.00 3.53 C ATOM 848 O VAL A 73 16.347 -5.457 -2.986 1.00 23.33 O ATOM 849 CB VAL A 73 14.455 -5.077 -5.890 1.00 42.34 C ATOM 850 CG1 VAL A 73 14.545 -5.156 -7.407 1.00 33.31 C ATOM 851 CG2 VAL A 73 13.759 -6.305 -5.324 1.00 53.22 C ATOM 0 H VAL A 73 16.199 -6.915 -5.825 1.00 4.44 H new ATOM 0 HA VAL A 73 16.340 -4.041 -5.700 1.00 12.12 H new ATOM 0 HB VAL A 73 13.862 -4.200 -5.630 1.00 42.34 H new ATOM 0 HG11 VAL A 73 13.545 -5.266 -7.826 1.00 33.31 H new ATOM 0 HG12 VAL A 73 15.001 -4.244 -7.792 1.00 33.31 H new ATOM 0 HG13 VAL A 73 15.154 -6.014 -7.691 1.00 33.31 H new ATOM 0 HG21 VAL A 73 12.769 -6.400 -5.770 1.00 53.22 H new ATOM 0 HG22 VAL A 73 14.347 -7.194 -5.553 1.00 53.22 H new ATOM 0 HG23 VAL A 73 13.662 -6.202 -4.243 1.00 53.22 H new ATOM 861 N ASP A 74 14.898 -3.779 -3.363 1.00 53.22 N ATOM 862 CA ASP A 74 14.677 -3.504 -1.948 1.00 43.04 C ATOM 863 C ASP A 74 13.421 -4.210 -1.448 1.00 15.44 C ATOM 864 O ASP A 74 13.313 -4.547 -0.268 1.00 44.44 O ATOM 865 CB ASP A 74 14.560 -1.997 -1.711 1.00 23.43 C ATOM 866 CG ASP A 74 15.911 -1.331 -1.550 1.00 45.14 C ATOM 867 OD1 ASP A 74 16.910 -1.883 -2.058 1.00 1.41 O ATOM 868 OD2 ASP A 74 15.972 -0.256 -0.916 1.00 20.23 O ATOM 0 H ASP A 74 14.373 -3.176 -3.997 1.00 53.22 H new ATOM 0 HA ASP A 74 15.533 -3.885 -1.391 1.00 43.04 H new ATOM 0 HB2 ASP A 74 14.030 -1.541 -2.547 1.00 23.43 H new ATOM 0 HB3 ASP A 74 13.961 -1.818 -0.818 1.00 23.43 H new ATOM 873 N ASP A 75 12.471 -4.428 -2.352 1.00 0.44 N ATOM 874 CA ASP A 75 11.222 -5.093 -2.003 1.00 30.43 C ATOM 875 C ASP A 75 11.304 -6.589 -2.287 1.00 23.33 C ATOM 876 O ASP A 75 10.300 -7.230 -2.593 1.00 63.14 O ATOM 877 CB ASP A 75 10.057 -4.478 -2.780 1.00 11.21 C ATOM 878 CG ASP A 75 10.218 -2.983 -2.976 1.00 33.13 C ATOM 879 OD1 ASP A 75 9.798 -2.220 -2.081 1.00 50.44 O ATOM 880 OD2 ASP A 75 10.762 -2.577 -4.024 1.00 4.31 O ATOM 0 H ASP A 75 12.543 -4.153 -3.332 1.00 0.44 H new ATOM 0 HA ASP A 75 11.052 -4.953 -0.936 1.00 30.43 H new ATOM 0 HB2 ASP A 75 9.977 -4.963 -3.753 1.00 11.21 H new ATOM 0 HB3 ASP A 75 9.126 -4.674 -2.249 1.00 11.21 H new ATOM 885 N GLY A 76 12.510 -7.141 -2.183 1.00 41.10 N ATOM 886 CA GLY A 76 12.702 -8.557 -2.432 1.00 71.35 C ATOM 887 C GLY A 76 11.736 -9.422 -1.646 1.00 50.35 C ATOM 888 O GLY A 76 11.507 -10.580 -1.992 1.00 72.14 O ATOM 0 H GLY A 76 13.357 -6.632 -1.931 1.00 41.10 H new ATOM 0 HA2 GLY A 76 12.578 -8.755 -3.497 1.00 71.35 H new ATOM 0 HA3 GLY A 76 13.724 -8.833 -2.173 1.00 71.35 H new ATOM 892 N ALA A 77 11.168 -8.857 -0.586 1.00 11.30 N ATOM 893 CA ALA A 77 10.221 -9.583 0.251 1.00 65.43 C ATOM 894 C ALA A 77 8.847 -9.650 -0.406 1.00 63.45 C ATOM 895 O ALA A 77 8.314 -10.735 -0.644 1.00 44.12 O ATOM 896 CB ALA A 77 10.121 -8.931 1.622 1.00 60.03 C ATOM 0 H ALA A 77 11.347 -7.899 -0.286 1.00 11.30 H new ATOM 0 HA ALA A 77 10.587 -10.602 0.371 1.00 65.43 H new ATOM 0 HB1 ALA A 77 9.410 -9.483 2.237 1.00 60.03 H new ATOM 0 HB2 ALA A 77 11.100 -8.940 2.102 1.00 60.03 H new ATOM 0 HB3 ALA A 77 9.781 -7.901 1.511 1.00 60.03 H new ATOM 902 N SER A 78 8.278 -8.485 -0.698 1.00 12.15 N ATOM 903 CA SER A 78 6.963 -8.412 -1.323 1.00 62.23 C ATOM 904 C SER A 78 7.049 -8.752 -2.809 1.00 31.33 C ATOM 905 O SER A 78 6.254 -9.539 -3.324 1.00 24.40 O ATOM 906 CB SER A 78 6.365 -7.016 -1.143 1.00 20.44 C ATOM 907 OG SER A 78 7.382 -6.032 -1.060 1.00 31.34 O ATOM 0 H SER A 78 8.707 -7.579 -0.512 1.00 12.15 H new ATOM 0 HA SER A 78 6.316 -9.142 -0.836 1.00 62.23 H new ATOM 0 HB2 SER A 78 5.703 -6.790 -1.979 1.00 20.44 H new ATOM 0 HB3 SER A 78 5.756 -6.991 -0.239 1.00 20.44 H new ATOM 0 HG SER A 78 6.974 -5.148 -0.947 1.00 31.34 H new ATOM 913 N VAL A 79 8.019 -8.153 -3.492 1.00 12.11 N ATOM 914 CA VAL A 79 8.211 -8.391 -4.917 1.00 72.44 C ATOM 915 C VAL A 79 8.171 -9.882 -5.235 1.00 11.12 C ATOM 916 O VAL A 79 7.582 -10.298 -6.233 1.00 24.44 O ATOM 917 CB VAL A 79 9.548 -7.809 -5.409 1.00 2.51 C ATOM 918 CG1 VAL A 79 10.704 -8.716 -5.014 1.00 71.03 C ATOM 919 CG2 VAL A 79 9.515 -7.597 -6.915 1.00 5.23 C ATOM 0 H VAL A 79 8.685 -7.499 -3.081 1.00 12.11 H new ATOM 0 HA VAL A 79 7.393 -7.889 -5.434 1.00 72.44 H new ATOM 0 HB VAL A 79 9.700 -6.840 -4.933 1.00 2.51 H new ATOM 0 HG11 VAL A 79 11.641 -8.288 -5.371 1.00 71.03 H new ATOM 0 HG12 VAL A 79 10.738 -8.810 -3.929 1.00 71.03 H new ATOM 0 HG13 VAL A 79 10.562 -9.701 -5.459 1.00 71.03 H new ATOM 0 HG21 VAL A 79 10.468 -7.185 -7.245 1.00 5.23 H new ATOM 0 HG22 VAL A 79 9.340 -8.551 -7.413 1.00 5.23 H new ATOM 0 HG23 VAL A 79 8.713 -6.903 -7.167 1.00 5.23 H new ATOM 929 N GLN A 80 8.800 -10.681 -4.379 1.00 23.23 N ATOM 930 CA GLN A 80 8.838 -12.126 -4.569 1.00 54.31 C ATOM 931 C GLN A 80 7.622 -12.791 -3.931 1.00 54.43 C ATOM 932 O GLN A 80 7.229 -13.890 -4.318 1.00 52.35 O ATOM 933 CB GLN A 80 10.121 -12.707 -3.975 1.00 63.01 C ATOM 934 CG GLN A 80 10.516 -14.047 -4.573 1.00 63.55 C ATOM 935 CD GLN A 80 10.318 -15.199 -3.607 1.00 71.44 C ATOM 936 OE1 GLN A 80 9.486 -15.129 -2.703 1.00 30.33 O ATOM 937 NE2 GLN A 80 11.083 -16.268 -3.795 1.00 22.02 N ATOM 0 H GLN A 80 9.290 -10.352 -3.547 1.00 23.23 H new ATOM 0 HA GLN A 80 8.819 -12.326 -5.640 1.00 54.31 H new ATOM 0 HB2 GLN A 80 10.935 -11.998 -4.125 1.00 63.01 H new ATOM 0 HB3 GLN A 80 9.993 -12.822 -2.899 1.00 63.01 H new ATOM 0 HG2 GLN A 80 9.927 -14.227 -5.472 1.00 63.55 H new ATOM 0 HG3 GLN A 80 11.562 -14.010 -4.879 1.00 63.55 H new ATOM 0 HE21 GLN A 80 11.760 -16.283 -4.558 1.00 22.02 H new ATOM 0 HE22 GLN A 80 10.993 -17.074 -3.177 1.00 22.02 H new ATOM 946 N GLU A 81 7.031 -12.115 -2.951 1.00 2.43 N ATOM 947 CA GLU A 81 5.861 -12.641 -2.258 1.00 15.41 C ATOM 948 C GLU A 81 4.687 -12.804 -3.220 1.00 13.41 C ATOM 949 O GLU A 81 3.991 -13.818 -3.202 1.00 70.14 O ATOM 950 CB GLU A 81 5.464 -11.716 -1.104 1.00 74.54 C ATOM 951 CG GLU A 81 4.185 -12.137 -0.401 1.00 35.02 C ATOM 952 CD GLU A 81 4.319 -13.469 0.310 1.00 24.43 C ATOM 953 OE1 GLU A 81 4.298 -14.513 -0.375 1.00 1.34 O ATOM 954 OE2 GLU A 81 4.448 -13.467 1.553 1.00 73.55 O ATOM 0 H GLU A 81 7.343 -11.202 -2.619 1.00 2.43 H new ATOM 0 HA GLU A 81 6.119 -13.621 -1.856 1.00 15.41 H new ATOM 0 HB2 GLU A 81 6.276 -11.687 -0.377 1.00 74.54 H new ATOM 0 HB3 GLU A 81 5.342 -10.703 -1.487 1.00 74.54 H new ATOM 0 HG2 GLU A 81 3.903 -11.371 0.321 1.00 35.02 H new ATOM 0 HG3 GLU A 81 3.378 -12.199 -1.131 1.00 35.02 H new ATOM 961 N VAL A 82 4.474 -11.795 -4.059 1.00 53.03 N ATOM 962 CA VAL A 82 3.385 -11.825 -5.030 1.00 72.21 C ATOM 963 C VAL A 82 3.811 -12.532 -6.311 1.00 23.11 C ATOM 964 O VAL A 82 2.973 -13.010 -7.077 1.00 72.23 O ATOM 965 CB VAL A 82 2.903 -10.404 -5.377 1.00 2.41 C ATOM 966 CG1 VAL A 82 4.059 -9.558 -5.889 1.00 14.21 C ATOM 967 CG2 VAL A 82 1.777 -10.458 -6.399 1.00 21.44 C ATOM 0 H VAL A 82 5.040 -10.947 -4.086 1.00 53.03 H new ATOM 0 HA VAL A 82 2.565 -12.376 -4.569 1.00 72.21 H new ATOM 0 HB VAL A 82 2.517 -9.938 -4.470 1.00 2.41 H new ATOM 0 HG11 VAL A 82 3.699 -8.557 -6.129 1.00 14.21 H new ATOM 0 HG12 VAL A 82 4.830 -9.492 -5.121 1.00 14.21 H new ATOM 0 HG13 VAL A 82 4.478 -10.018 -6.784 1.00 14.21 H new ATOM 0 HG21 VAL A 82 1.449 -9.445 -6.633 1.00 21.44 H new ATOM 0 HG22 VAL A 82 2.134 -10.943 -7.308 1.00 21.44 H new ATOM 0 HG23 VAL A 82 0.941 -11.025 -5.990 1.00 21.44 H new ATOM 977 N LEU A 83 5.118 -12.598 -6.538 1.00 44.33 N ATOM 978 CA LEU A 83 5.657 -13.248 -7.728 1.00 50.04 C ATOM 979 C LEU A 83 5.668 -14.764 -7.562 1.00 1.33 C ATOM 980 O LEU A 83 5.245 -15.501 -8.454 1.00 30.11 O ATOM 981 CB LEU A 83 7.073 -12.744 -8.012 1.00 5.11 C ATOM 982 CG LEU A 83 7.317 -12.182 -9.412 1.00 41.30 C ATOM 983 CD1 LEU A 83 8.561 -11.306 -9.426 1.00 71.43 C ATOM 984 CD2 LEU A 83 7.445 -13.310 -10.426 1.00 1.24 C ATOM 0 H LEU A 83 5.825 -12.209 -5.914 1.00 44.33 H new ATOM 0 HA LEU A 83 5.014 -12.998 -8.571 1.00 50.04 H new ATOM 0 HB2 LEU A 83 7.314 -11.969 -7.284 1.00 5.11 H new ATOM 0 HB3 LEU A 83 7.770 -13.566 -7.846 1.00 5.11 H new ATOM 0 HG LEU A 83 6.461 -11.567 -9.690 1.00 41.30 H new ATOM 0 HD11 LEU A 83 8.719 -10.915 -10.431 1.00 71.43 H new ATOM 0 HD12 LEU A 83 8.430 -10.477 -8.730 1.00 71.43 H new ATOM 0 HD13 LEU A 83 9.426 -11.898 -9.127 1.00 71.43 H new ATOM 0 HD21 LEU A 83 7.618 -12.890 -11.417 1.00 1.24 H new ATOM 0 HD22 LEU A 83 8.282 -13.952 -10.152 1.00 1.24 H new ATOM 0 HD23 LEU A 83 6.526 -13.896 -10.436 1.00 1.24 H new ATOM 996 N THR A 84 6.151 -15.225 -6.413 1.00 24.22 N ATOM 997 CA THR A 84 6.216 -16.652 -6.129 1.00 24.31 C ATOM 998 C THR A 84 4.838 -17.296 -6.229 1.00 23.24 C ATOM 999 O THR A 84 4.721 -18.498 -6.466 1.00 10.21 O ATOM 1000 CB THR A 84 6.796 -16.921 -4.726 1.00 13.01 C ATOM 1001 OG1 THR A 84 8.201 -16.648 -4.716 1.00 2.10 O ATOM 1002 CG2 THR A 84 6.551 -18.362 -4.306 1.00 71.33 C ATOM 0 H THR A 84 6.503 -14.630 -5.663 1.00 24.22 H new ATOM 0 HA THR A 84 6.875 -17.093 -6.877 1.00 24.31 H new ATOM 0 HB THR A 84 6.294 -16.263 -4.017 1.00 13.01 H new ATOM 0 HG1 THR A 84 8.663 -17.328 -4.182 1.00 2.10 H new ATOM 0 HG21 THR A 84 6.969 -18.528 -3.313 1.00 71.33 H new ATOM 0 HG22 THR A 84 5.479 -18.558 -4.286 1.00 71.33 H new ATOM 0 HG23 THR A 84 7.029 -19.035 -5.018 1.00 71.33 H new ATOM 1010 N GLU A 85 3.798 -16.489 -6.047 1.00 40.23 N ATOM 1011 CA GLU A 85 2.428 -16.982 -6.117 1.00 52.13 C ATOM 1012 C GLU A 85 1.946 -17.047 -7.564 1.00 64.33 C ATOM 1013 O GLU A 85 0.888 -17.606 -7.852 1.00 12.31 O ATOM 1014 CB GLU A 85 1.497 -16.085 -5.299 1.00 31.23 C ATOM 1015 CG GLU A 85 1.001 -16.731 -4.016 1.00 62.52 C ATOM 1016 CD GLU A 85 -0.273 -16.094 -3.497 1.00 33.35 C ATOM 1017 OE1 GLU A 85 -1.340 -16.319 -4.105 1.00 61.24 O ATOM 1018 OE2 GLU A 85 -0.203 -15.372 -2.481 1.00 12.23 O ATOM 0 H GLU A 85 3.878 -15.491 -5.850 1.00 40.23 H new ATOM 0 HA GLU A 85 2.410 -17.989 -5.700 1.00 52.13 H new ATOM 0 HB2 GLU A 85 2.021 -15.162 -5.052 1.00 31.23 H new ATOM 0 HB3 GLU A 85 0.639 -15.810 -5.913 1.00 31.23 H new ATOM 0 HG2 GLU A 85 0.826 -17.792 -4.192 1.00 62.52 H new ATOM 0 HG3 GLU A 85 1.776 -16.658 -3.253 1.00 62.52 H new ATOM 1025 N ILE A 86 2.732 -16.472 -8.469 1.00 35.23 N ATOM 1026 CA ILE A 86 2.387 -16.465 -9.884 1.00 54.13 C ATOM 1027 C ILE A 86 2.579 -17.845 -10.504 1.00 40.42 C ATOM 1028 O ILE A 86 1.776 -18.285 -11.325 1.00 74.51 O ATOM 1029 CB ILE A 86 3.232 -15.441 -10.665 1.00 60.12 C ATOM 1030 CG1 ILE A 86 3.045 -14.040 -10.080 1.00 71.31 C ATOM 1031 CG2 ILE A 86 2.857 -15.459 -12.140 1.00 50.22 C ATOM 1032 CD1 ILE A 86 3.798 -12.966 -10.831 1.00 3.33 C ATOM 0 H ILE A 86 3.611 -16.005 -8.247 1.00 35.23 H new ATOM 0 HA ILE A 86 1.336 -16.183 -9.951 1.00 54.13 H new ATOM 0 HB ILE A 86 4.283 -15.715 -10.574 1.00 60.12 H new ATOM 0 HG12 ILE A 86 1.983 -13.794 -10.079 1.00 71.31 H new ATOM 0 HG13 ILE A 86 3.373 -14.043 -9.040 1.00 71.31 H new ATOM 0 HG21 ILE A 86 3.463 -14.730 -12.678 1.00 50.22 H new ATOM 0 HG22 ILE A 86 3.037 -16.453 -12.549 1.00 50.22 H new ATOM 0 HG23 ILE A 86 1.802 -15.207 -12.250 1.00 50.22 H new ATOM 0 HD11 ILE A 86 3.619 -11.999 -10.360 1.00 3.33 H new ATOM 0 HD12 ILE A 86 4.865 -13.188 -10.810 1.00 3.33 H new ATOM 0 HD13 ILE A 86 3.454 -12.936 -11.865 1.00 3.33 H new ATOM 1044 N SER A 87 3.650 -18.523 -10.103 1.00 44.24 N ATOM 1045 CA SER A 87 3.950 -19.853 -10.621 1.00 42.23 C ATOM 1046 C SER A 87 3.974 -20.882 -9.494 1.00 53.31 C ATOM 1047 O SER A 87 3.976 -22.087 -9.740 1.00 13.42 O ATOM 1048 CB SER A 87 5.295 -19.848 -11.350 1.00 44.25 C ATOM 1049 OG SER A 87 5.189 -20.466 -12.621 1.00 5.04 O ATOM 0 H SER A 87 4.324 -18.174 -9.422 1.00 44.24 H new ATOM 0 HA SER A 87 3.164 -20.128 -11.325 1.00 42.23 H new ATOM 0 HB2 SER A 87 5.644 -18.822 -11.469 1.00 44.25 H new ATOM 0 HB3 SER A 87 6.040 -20.370 -10.749 1.00 44.25 H new ATOM 0 HG SER A 87 5.918 -20.155 -13.198 1.00 5.04 H new ATOM 1055 N ASN A 88 3.990 -20.395 -8.257 1.00 64.25 N ATOM 1056 CA ASN A 88 4.015 -21.270 -7.093 1.00 34.44 C ATOM 1057 C ASN A 88 5.199 -22.229 -7.156 1.00 25.14 C ATOM 1058 O ASN A 88 5.070 -23.412 -6.841 1.00 24.42 O ATOM 1059 CB ASN A 88 2.709 -22.062 -6.996 1.00 72.14 C ATOM 1060 CG ASN A 88 1.485 -21.168 -7.063 1.00 74.22 C ATOM 1061 OD1 ASN A 88 1.148 -20.485 -6.096 1.00 44.44 O ATOM 1062 ND2 ASN A 88 0.813 -21.170 -8.208 1.00 72.43 N ATOM 0 H ASN A 88 3.986 -19.399 -8.036 1.00 64.25 H new ATOM 0 HA ASN A 88 4.122 -20.647 -6.205 1.00 34.44 H new ATOM 0 HB2 ASN A 88 2.668 -22.791 -7.805 1.00 72.14 H new ATOM 0 HB3 ASN A 88 2.696 -22.623 -6.061 1.00 72.14 H new ATOM 0 HD21 ASN A 88 -0.019 -20.589 -8.312 1.00 72.43 H new ATOM 0 HD22 ASN A 88 1.129 -21.752 -8.984 1.00 72.43 H new ATOM 1069 N GLN A 89 6.353 -21.711 -7.566 1.00 15.43 N ATOM 1070 CA GLN A 89 7.560 -22.521 -7.670 1.00 52.31 C ATOM 1071 C GLN A 89 8.662 -21.976 -6.767 1.00 14.11 C ATOM 1072 O GLN A 89 8.712 -20.779 -6.484 1.00 11.14 O ATOM 1073 CB GLN A 89 8.048 -22.562 -9.120 1.00 14.01 C ATOM 1074 CG GLN A 89 7.443 -23.696 -9.932 1.00 44.00 C ATOM 1075 CD GLN A 89 6.565 -23.199 -11.065 1.00 21.45 C ATOM 1076 OE1 GLN A 89 5.429 -23.646 -11.226 1.00 73.01 O ATOM 1077 NE2 GLN A 89 7.089 -22.271 -11.856 1.00 11.34 N ATOM 0 H GLN A 89 6.477 -20.734 -7.831 1.00 15.43 H new ATOM 0 HA GLN A 89 7.317 -23.533 -7.346 1.00 52.31 H new ATOM 0 HB2 GLN A 89 7.810 -21.614 -9.602 1.00 14.01 H new ATOM 0 HB3 GLN A 89 9.134 -22.660 -9.127 1.00 14.01 H new ATOM 0 HG2 GLN A 89 8.244 -24.312 -10.341 1.00 44.00 H new ATOM 0 HG3 GLN A 89 6.854 -24.335 -9.274 1.00 44.00 H new ATOM 0 HE21 GLN A 89 8.035 -21.930 -11.685 1.00 11.34 H new ATOM 0 HE22 GLN A 89 6.546 -21.899 -12.635 1.00 11.34 H new ATOM 1086 N LYS A 90 9.542 -22.862 -6.315 1.00 64.35 N ATOM 1087 CA LYS A 90 10.645 -22.472 -5.444 1.00 53.53 C ATOM 1088 C LYS A 90 11.333 -21.215 -5.968 1.00 74.11 C ATOM 1089 O LYS A 90 11.673 -20.314 -5.201 1.00 35.10 O ATOM 1090 CB LYS A 90 11.659 -23.612 -5.328 1.00 44.53 C ATOM 1091 CG LYS A 90 12.344 -23.680 -3.975 1.00 75.43 C ATOM 1092 CD LYS A 90 13.439 -24.733 -3.957 1.00 65.43 C ATOM 1093 CE LYS A 90 12.961 -26.025 -3.312 1.00 10.23 C ATOM 1094 NZ LYS A 90 13.827 -26.428 -2.169 1.00 0.52 N ATOM 0 H LYS A 90 9.513 -23.857 -6.538 1.00 64.35 H new ATOM 0 HA LYS A 90 10.237 -22.257 -4.456 1.00 53.53 H new ATOM 0 HB2 LYS A 90 11.153 -24.558 -5.518 1.00 44.53 H new ATOM 0 HB3 LYS A 90 12.416 -23.494 -6.104 1.00 44.53 H new ATOM 0 HG2 LYS A 90 12.770 -22.706 -3.733 1.00 75.43 H new ATOM 0 HG3 LYS A 90 11.607 -23.906 -3.204 1.00 75.43 H new ATOM 0 HD2 LYS A 90 13.768 -24.934 -4.976 1.00 65.43 H new ATOM 0 HD3 LYS A 90 14.303 -24.352 -3.413 1.00 65.43 H new ATOM 0 HE2 LYS A 90 11.936 -25.900 -2.964 1.00 10.23 H new ATOM 0 HE3 LYS A 90 12.950 -26.820 -4.057 1.00 10.23 H new ATOM 0 HZ1 LYS A 90 13.468 -27.313 -1.757 1.00 0.52 H new ATOM 0 HZ2 LYS A 90 14.801 -26.573 -2.505 1.00 0.52 H new ATOM 0 HZ3 LYS A 90 13.818 -25.680 -1.446 1.00 0.52 H new ATOM 1108 N THR A 91 11.535 -21.161 -7.282 1.00 3.44 N ATOM 1109 CA THR A 91 12.183 -20.015 -7.908 1.00 22.11 C ATOM 1110 C THR A 91 11.160 -18.961 -8.318 1.00 34.51 C ATOM 1111 O THR A 91 9.970 -19.092 -8.031 1.00 41.31 O ATOM 1112 CB THR A 91 12.994 -20.437 -9.148 1.00 11.44 C ATOM 1113 OG1 THR A 91 12.376 -21.564 -9.777 1.00 42.24 O ATOM 1114 CG2 THR A 91 14.425 -20.784 -8.765 1.00 61.43 C ATOM 0 H THR A 91 11.259 -21.897 -7.932 1.00 3.44 H new ATOM 0 HA THR A 91 12.860 -19.591 -7.167 1.00 22.11 H new ATOM 0 HB THR A 91 13.014 -19.599 -9.845 1.00 11.44 H new ATOM 0 HG1 THR A 91 12.799 -21.726 -10.646 1.00 42.24 H new ATOM 0 HG21 THR A 91 14.979 -21.079 -9.656 1.00 61.43 H new ATOM 0 HG22 THR A 91 14.902 -19.914 -8.313 1.00 61.43 H new ATOM 0 HG23 THR A 91 14.421 -21.608 -8.051 1.00 61.43 H new ATOM 1122 N VAL A 92 11.631 -17.917 -8.992 1.00 55.20 N ATOM 1123 CA VAL A 92 10.756 -16.841 -9.444 1.00 24.45 C ATOM 1124 C VAL A 92 10.710 -16.773 -10.966 1.00 71.13 C ATOM 1125 O VAL A 92 10.964 -15.733 -11.574 1.00 34.44 O ATOM 1126 CB VAL A 92 11.214 -15.478 -8.893 1.00 41.42 C ATOM 1127 CG1 VAL A 92 10.070 -14.476 -8.931 1.00 12.04 C ATOM 1128 CG2 VAL A 92 11.756 -15.628 -7.480 1.00 34.23 C ATOM 0 H VAL A 92 12.613 -17.793 -9.237 1.00 55.20 H new ATOM 0 HA VAL A 92 9.759 -17.062 -9.063 1.00 24.45 H new ATOM 0 HB VAL A 92 12.017 -15.101 -9.526 1.00 41.42 H new ATOM 0 HG11 VAL A 92 10.412 -13.519 -8.538 1.00 12.04 H new ATOM 0 HG12 VAL A 92 9.734 -14.347 -9.960 1.00 12.04 H new ATOM 0 HG13 VAL A 92 9.244 -14.844 -8.323 1.00 12.04 H new ATOM 0 HG21 VAL A 92 12.075 -14.655 -7.107 1.00 34.23 H new ATOM 0 HG22 VAL A 92 10.976 -16.027 -6.832 1.00 34.23 H new ATOM 0 HG23 VAL A 92 12.606 -16.310 -7.487 1.00 34.23 H new ATOM 1138 N PRO A 93 10.377 -17.908 -11.599 1.00 60.51 N ATOM 1139 CA PRO A 93 10.288 -18.003 -13.060 1.00 23.23 C ATOM 1140 C PRO A 93 9.102 -17.227 -13.619 1.00 54.24 C ATOM 1141 O PRO A 93 7.955 -17.477 -13.250 1.00 62.13 O ATOM 1142 CB PRO A 93 10.112 -19.504 -13.307 1.00 53.52 C ATOM 1143 CG PRO A 93 9.500 -20.024 -12.053 1.00 61.50 C ATOM 1144 CD PRO A 93 10.061 -19.186 -10.939 1.00 2.44 C ATOM 0 HA PRO A 93 11.163 -17.577 -13.551 1.00 23.23 H new ATOM 0 HB2 PRO A 93 9.470 -19.691 -14.168 1.00 53.52 H new ATOM 0 HB3 PRO A 93 11.068 -19.987 -13.511 1.00 53.52 H new ATOM 0 HG2 PRO A 93 8.413 -19.948 -12.089 1.00 61.50 H new ATOM 0 HG3 PRO A 93 9.742 -21.077 -11.909 1.00 61.50 H new ATOM 0 HD2 PRO A 93 9.339 -19.054 -10.133 1.00 2.44 H new ATOM 0 HD3 PRO A 93 10.949 -19.642 -10.501 1.00 2.44 H new ATOM 1152 N ASN A 94 9.385 -16.285 -14.513 1.00 41.41 N ATOM 1153 CA ASN A 94 8.339 -15.472 -15.124 1.00 24.01 C ATOM 1154 C ASN A 94 8.575 -15.321 -16.624 1.00 44.43 C ATOM 1155 O ASN A 94 9.576 -14.744 -17.050 1.00 63.15 O ATOM 1156 CB ASN A 94 8.285 -14.093 -14.464 1.00 41.30 C ATOM 1157 CG ASN A 94 7.062 -13.922 -13.584 1.00 3.41 C ATOM 1158 OD1 ASN A 94 6.436 -12.862 -13.571 1.00 70.11 O ATOM 1159 ND2 ASN A 94 6.718 -14.967 -12.840 1.00 74.30 N ATOM 0 H ASN A 94 10.329 -16.066 -14.830 1.00 41.41 H new ATOM 0 HA ASN A 94 7.385 -15.977 -14.973 1.00 24.01 H new ATOM 0 HB2 ASN A 94 9.184 -13.944 -13.866 1.00 41.30 H new ATOM 0 HB3 ASN A 94 8.285 -13.323 -15.236 1.00 41.30 H new ATOM 0 HD21 ASN A 94 5.906 -14.910 -12.226 1.00 74.30 H new ATOM 0 HD22 ASN A 94 7.266 -15.826 -12.883 1.00 74.30 H new ATOM 1166 N ILE A 95 7.647 -15.842 -17.418 1.00 74.24 N ATOM 1167 CA ILE A 95 7.753 -15.764 -18.870 1.00 53.34 C ATOM 1168 C ILE A 95 6.441 -15.297 -19.492 1.00 70.34 C ATOM 1169 O ILE A 95 5.524 -16.091 -19.703 1.00 64.34 O ATOM 1170 CB ILE A 95 8.143 -17.123 -19.481 1.00 0.22 C ATOM 1171 CG1 ILE A 95 7.547 -18.266 -18.657 1.00 73.51 C ATOM 1172 CG2 ILE A 95 9.657 -17.253 -19.559 1.00 53.13 C ATOM 1173 CD1 ILE A 95 8.430 -18.713 -17.515 1.00 23.53 C ATOM 0 H ILE A 95 6.813 -16.323 -17.081 1.00 74.24 H new ATOM 0 HA ILE A 95 8.536 -15.039 -19.091 1.00 53.34 H new ATOM 0 HB ILE A 95 7.740 -17.180 -20.492 1.00 0.22 H new ATOM 0 HG12 ILE A 95 6.583 -17.951 -18.258 1.00 73.51 H new ATOM 0 HG13 ILE A 95 7.358 -19.116 -19.313 1.00 73.51 H new ATOM 0 HG21 ILE A 95 9.917 -18.218 -19.993 1.00 53.13 H new ATOM 0 HG22 ILE A 95 10.059 -16.455 -20.183 1.00 53.13 H new ATOM 0 HG23 ILE A 95 10.081 -17.179 -18.557 1.00 53.13 H new ATOM 0 HD11 ILE A 95 7.943 -19.526 -16.975 1.00 23.53 H new ATOM 0 HD12 ILE A 95 9.386 -19.060 -17.908 1.00 23.53 H new ATOM 0 HD13 ILE A 95 8.599 -17.877 -16.837 1.00 23.53 H new ATOM 1185 N PHE A 96 6.359 -14.004 -19.788 1.00 32.13 N ATOM 1186 CA PHE A 96 5.160 -13.431 -20.387 1.00 52.45 C ATOM 1187 C PHE A 96 5.518 -12.533 -21.568 1.00 24.24 C ATOM 1188 O PHE A 96 6.142 -11.486 -21.398 1.00 50.33 O ATOM 1189 CB PHE A 96 4.374 -12.633 -19.345 1.00 12.23 C ATOM 1190 CG PHE A 96 4.200 -13.357 -18.041 1.00 74.45 C ATOM 1191 CD1 PHE A 96 3.800 -14.684 -18.019 1.00 65.21 C ATOM 1192 CD2 PHE A 96 4.435 -12.713 -16.838 1.00 11.31 C ATOM 1193 CE1 PHE A 96 3.639 -15.354 -16.821 1.00 22.43 C ATOM 1194 CE2 PHE A 96 4.277 -13.378 -15.637 1.00 13.35 C ATOM 1195 CZ PHE A 96 3.877 -14.700 -15.628 1.00 34.22 C ATOM 0 H PHE A 96 7.109 -13.333 -19.623 1.00 32.13 H new ATOM 0 HA PHE A 96 4.539 -14.250 -20.751 1.00 52.45 H new ATOM 0 HB2 PHE A 96 4.885 -11.688 -19.161 1.00 12.23 H new ATOM 0 HB3 PHE A 96 3.392 -12.390 -19.750 1.00 12.23 H new ATOM 0 HD1 PHE A 96 3.612 -15.200 -18.949 1.00 65.21 H new ATOM 0 HD2 PHE A 96 4.745 -11.679 -16.838 1.00 11.31 H new ATOM 0 HE1 PHE A 96 3.327 -16.388 -16.818 1.00 22.43 H new ATOM 0 HE2 PHE A 96 4.466 -12.864 -14.706 1.00 13.35 H new ATOM 0 HZ PHE A 96 3.751 -15.221 -14.690 1.00 34.22 H new ATOM 1205 N VAL A 97 5.120 -12.952 -22.764 1.00 70.53 N ATOM 1206 CA VAL A 97 5.397 -12.187 -23.975 1.00 32.14 C ATOM 1207 C VAL A 97 4.108 -11.824 -24.702 1.00 71.35 C ATOM 1208 O VAL A 97 3.167 -12.614 -24.751 1.00 33.23 O ATOM 1209 CB VAL A 97 6.315 -12.968 -24.934 1.00 55.11 C ATOM 1210 CG1 VAL A 97 5.654 -14.270 -25.363 1.00 0.32 C ATOM 1211 CG2 VAL A 97 6.668 -12.115 -26.144 1.00 73.41 C ATOM 0 H VAL A 97 4.604 -13.818 -22.921 1.00 70.53 H new ATOM 0 HA VAL A 97 5.904 -11.273 -23.664 1.00 32.14 H new ATOM 0 HB VAL A 97 7.238 -13.213 -24.409 1.00 55.11 H new ATOM 0 HG11 VAL A 97 6.317 -14.809 -26.040 1.00 0.32 H new ATOM 0 HG12 VAL A 97 5.456 -14.884 -24.485 1.00 0.32 H new ATOM 0 HG13 VAL A 97 4.715 -14.051 -25.872 1.00 0.32 H new ATOM 0 HG21 VAL A 97 7.317 -12.682 -26.812 1.00 73.41 H new ATOM 0 HG22 VAL A 97 5.756 -11.839 -26.673 1.00 73.41 H new ATOM 0 HG23 VAL A 97 7.184 -11.213 -25.815 1.00 73.41 H new ATOM 1221 N ASN A 98 4.074 -10.622 -25.269 1.00 42.11 N ATOM 1222 CA ASN A 98 2.900 -10.153 -25.997 1.00 33.12 C ATOM 1223 C ASN A 98 1.661 -10.180 -25.106 1.00 23.04 C ATOM 1224 O ASN A 98 0.557 -10.470 -25.566 1.00 3.24 O ATOM 1225 CB ASN A 98 2.666 -11.015 -27.239 1.00 61.31 C ATOM 1226 CG ASN A 98 3.896 -11.811 -27.630 1.00 74.41 C ATOM 1227 OD1 ASN A 98 4.044 -12.972 -27.249 1.00 71.33 O ATOM 1228 ND2 ASN A 98 4.786 -11.188 -28.394 1.00 74.43 N ATOM 0 H ASN A 98 4.845 -9.955 -25.238 1.00 42.11 H new ATOM 0 HA ASN A 98 3.082 -9.124 -26.306 1.00 33.12 H new ATOM 0 HB2 ASN A 98 1.838 -11.699 -27.053 1.00 61.31 H new ATOM 0 HB3 ASN A 98 2.370 -10.376 -28.071 1.00 61.31 H new ATOM 0 HD21 ASN A 98 5.634 -11.673 -28.689 1.00 74.43 H new ATOM 0 HD22 ASN A 98 4.622 -10.225 -28.686 1.00 74.43 H new ATOM 1235 N LYS A 99 1.854 -9.875 -23.826 1.00 74.31 N ATOM 1236 CA LYS A 99 0.754 -9.861 -22.869 1.00 73.51 C ATOM 1237 C LYS A 99 0.107 -11.239 -22.763 1.00 61.32 C ATOM 1238 O LYS A 99 -1.108 -11.356 -22.605 1.00 50.14 O ATOM 1239 CB LYS A 99 -0.295 -8.825 -23.281 1.00 35.24 C ATOM 1240 CG LYS A 99 0.254 -7.413 -23.387 1.00 24.31 C ATOM 1241 CD LYS A 99 0.862 -7.152 -24.755 1.00 73.42 C ATOM 1242 CE LYS A 99 0.886 -5.666 -25.080 1.00 72.30 C ATOM 1243 NZ LYS A 99 0.972 -5.420 -26.546 1.00 71.21 N ATOM 0 H LYS A 99 2.762 -9.634 -23.428 1.00 74.31 H new ATOM 0 HA LYS A 99 1.158 -9.592 -21.893 1.00 73.51 H new ATOM 0 HB2 LYS A 99 -0.721 -9.114 -24.242 1.00 35.24 H new ATOM 0 HB3 LYS A 99 -1.109 -8.836 -22.556 1.00 35.24 H new ATOM 0 HG2 LYS A 99 -0.545 -6.696 -23.200 1.00 24.31 H new ATOM 0 HG3 LYS A 99 1.009 -7.256 -22.616 1.00 24.31 H new ATOM 0 HD2 LYS A 99 1.877 -7.549 -24.785 1.00 73.42 H new ATOM 0 HD3 LYS A 99 0.290 -7.683 -25.516 1.00 73.42 H new ATOM 0 HE2 LYS A 99 -0.013 -5.193 -24.685 1.00 72.30 H new ATOM 0 HE3 LYS A 99 1.736 -5.199 -24.583 1.00 72.30 H new ATOM 0 HZ1 LYS A 99 0.986 -4.396 -26.726 1.00 71.21 H new ATOM 0 HZ2 LYS A 99 1.843 -5.849 -26.920 1.00 71.21 H new ATOM 0 HZ3 LYS A 99 0.147 -5.843 -27.018 1.00 71.21 H new ATOM 1257 N VAL A 100 0.929 -12.281 -22.848 1.00 73.33 N ATOM 1258 CA VAL A 100 0.438 -13.651 -22.759 1.00 51.24 C ATOM 1259 C VAL A 100 1.256 -14.464 -21.763 1.00 41.13 C ATOM 1260 O VAL A 100 2.388 -14.106 -21.433 1.00 55.22 O ATOM 1261 CB VAL A 100 0.475 -14.351 -24.131 1.00 20.02 C ATOM 1262 CG1 VAL A 100 1.787 -15.100 -24.312 1.00 22.01 C ATOM 1263 CG2 VAL A 100 -0.711 -15.291 -24.281 1.00 63.15 C ATOM 0 H VAL A 100 1.938 -12.202 -22.978 1.00 73.33 H new ATOM 0 HA VAL A 100 -0.595 -13.595 -22.416 1.00 51.24 H new ATOM 0 HB VAL A 100 0.407 -13.592 -24.910 1.00 20.02 H new ATOM 0 HG11 VAL A 100 1.796 -15.588 -25.286 1.00 22.01 H new ATOM 0 HG12 VAL A 100 2.618 -14.398 -24.251 1.00 22.01 H new ATOM 0 HG13 VAL A 100 1.888 -15.851 -23.529 1.00 22.01 H new ATOM 0 HG21 VAL A 100 -0.669 -15.777 -25.256 1.00 63.15 H new ATOM 0 HG22 VAL A 100 -0.677 -16.047 -23.497 1.00 63.15 H new ATOM 0 HG23 VAL A 100 -1.638 -14.723 -24.198 1.00 63.15 H new ATOM 1273 N HIS A 101 0.678 -15.562 -21.286 1.00 51.44 N ATOM 1274 CA HIS A 101 1.355 -16.428 -20.328 1.00 33.23 C ATOM 1275 C HIS A 101 2.040 -17.592 -21.037 1.00 62.00 C ATOM 1276 O HIS A 101 1.406 -18.340 -21.781 1.00 20.12 O ATOM 1277 CB HIS A 101 0.358 -16.960 -19.297 1.00 73.11 C ATOM 1278 CG HIS A 101 -0.870 -17.562 -19.907 1.00 52.23 C ATOM 1279 ND1 HIS A 101 -2.000 -16.828 -20.205 1.00 23.21 N ATOM 1280 CD2 HIS A 101 -1.143 -18.835 -20.277 1.00 61.00 C ATOM 1281 CE1 HIS A 101 -2.914 -17.625 -20.729 1.00 70.24 C ATOM 1282 NE2 HIS A 101 -2.418 -18.848 -20.784 1.00 41.31 N ATOM 0 H HIS A 101 -0.258 -15.873 -21.547 1.00 51.44 H new ATOM 0 HA HIS A 101 2.116 -15.838 -19.817 1.00 33.23 H new ATOM 0 HB2 HIS A 101 0.852 -17.710 -18.679 1.00 73.11 H new ATOM 0 HB3 HIS A 101 0.063 -16.146 -18.635 1.00 73.11 H new ATOM 0 HD2 HIS A 101 -0.480 -19.683 -20.189 1.00 61.00 H new ATOM 0 HE1 HIS A 101 -3.899 -17.327 -21.057 1.00 70.24 H new ATOM 0 HE2 HIS A 101 -2.904 -19.669 -21.145 1.00 41.31 H new ATOM 1290 N VAL A 102 3.341 -17.738 -20.802 1.00 41.02 N ATOM 1291 CA VAL A 102 4.113 -18.810 -21.418 1.00 32.13 C ATOM 1292 C VAL A 102 4.150 -20.045 -20.524 1.00 20.15 C ATOM 1293 O VAL A 102 3.999 -21.171 -20.996 1.00 44.20 O ATOM 1294 CB VAL A 102 5.557 -18.363 -21.715 1.00 32.10 C ATOM 1295 CG1 VAL A 102 6.360 -19.509 -22.312 1.00 35.02 C ATOM 1296 CG2 VAL A 102 5.559 -17.159 -22.644 1.00 63.24 C ATOM 0 H VAL A 102 3.882 -17.127 -20.190 1.00 41.02 H new ATOM 0 HA VAL A 102 3.616 -19.058 -22.356 1.00 32.13 H new ATOM 0 HB VAL A 102 6.029 -18.072 -20.777 1.00 32.10 H new ATOM 0 HG11 VAL A 102 7.377 -19.174 -22.515 1.00 35.02 H new ATOM 0 HG12 VAL A 102 6.386 -20.341 -21.608 1.00 35.02 H new ATOM 0 HG13 VAL A 102 5.893 -19.835 -23.242 1.00 35.02 H new ATOM 0 HG21 VAL A 102 6.587 -16.856 -22.844 1.00 63.24 H new ATOM 0 HG22 VAL A 102 5.069 -17.422 -23.582 1.00 63.24 H new ATOM 0 HG23 VAL A 102 5.023 -16.335 -22.173 1.00 63.24 H new ATOM 1306 N GLY A 103 4.350 -19.824 -19.228 1.00 30.24 N ATOM 1307 CA GLY A 103 4.402 -20.929 -18.287 1.00 42.31 C ATOM 1308 C GLY A 103 5.778 -21.105 -17.676 1.00 2.24 C ATOM 1309 O GLY A 103 6.061 -20.572 -16.604 1.00 64.30 O ATOM 0 H GLY A 103 4.477 -18.901 -18.813 1.00 30.24 H new ATOM 0 HA2 GLY A 103 3.674 -20.761 -17.493 1.00 42.31 H new ATOM 0 HA3 GLY A 103 4.113 -21.849 -18.795 1.00 42.31 H new ATOM 1313 N GLY A 104 6.635 -21.857 -18.359 1.00 22.04 N ATOM 1314 CA GLY A 104 7.978 -22.091 -17.861 1.00 0.34 C ATOM 1315 C GLY A 104 8.091 -23.388 -17.083 1.00 74.32 C ATOM 1316 O GLY A 104 7.081 -23.969 -16.682 1.00 44.12 O ATOM 0 H GLY A 104 6.423 -22.309 -19.249 1.00 22.04 H new ATOM 0 HA2 GLY A 104 8.674 -22.112 -18.699 1.00 0.34 H new ATOM 0 HA3 GLY A 104 8.275 -21.260 -17.221 1.00 0.34 H new ATOM 1320 N CYS A 105 9.320 -23.845 -16.872 1.00 1.53 N ATOM 1321 CA CYS A 105 9.561 -25.083 -16.140 1.00 51.43 C ATOM 1322 C CYS A 105 9.099 -26.291 -16.949 1.00 53.13 C ATOM 1323 O CYS A 105 9.107 -27.420 -16.457 1.00 45.44 O ATOM 1324 CB CYS A 105 8.841 -25.051 -14.792 1.00 11.02 C ATOM 1325 SG CYS A 105 9.510 -26.203 -13.569 1.00 41.23 S ATOM 0 H CYS A 105 10.166 -23.377 -17.198 1.00 1.53 H new ATOM 0 HA CYS A 105 10.634 -25.172 -15.968 1.00 51.43 H new ATOM 0 HB2 CYS A 105 8.893 -24.040 -14.389 1.00 11.02 H new ATOM 0 HB3 CYS A 105 7.787 -25.278 -14.950 1.00 11.02 H new ATOM 0 HG CYS A 105 8.836 -26.100 -12.462 1.00 41.23 H new ATOM 1331 N ASP A 106 8.692 -26.045 -18.190 1.00 5.33 N ATOM 1332 CA ASP A 106 8.226 -27.113 -19.067 1.00 14.33 C ATOM 1333 C ASP A 106 7.625 -26.539 -20.347 1.00 74.42 C ATOM 1334 O ASP A 106 7.829 -27.078 -21.435 1.00 21.13 O ATOM 1335 CB ASP A 106 7.191 -27.979 -18.346 1.00 45.30 C ATOM 1336 CG ASP A 106 6.275 -27.163 -17.455 1.00 30.43 C ATOM 1337 OD1 ASP A 106 5.485 -26.361 -17.993 1.00 11.31 O ATOM 1338 OD2 ASP A 106 6.348 -27.329 -16.219 1.00 35.12 O ATOM 0 H ASP A 106 8.675 -25.116 -18.611 1.00 5.33 H new ATOM 0 HA ASP A 106 9.083 -27.732 -19.334 1.00 14.33 H new ATOM 0 HB2 ASP A 106 6.593 -28.515 -19.083 1.00 45.30 H new ATOM 0 HB3 ASP A 106 7.704 -28.729 -17.745 1.00 45.30 H new ATOM 1343 N ARG A 107 6.881 -25.447 -20.208 1.00 44.24 N ATOM 1344 CA ARG A 107 6.248 -24.803 -21.352 1.00 44.11 C ATOM 1345 C ARG A 107 7.277 -24.050 -22.190 1.00 72.14 C ATOM 1346 O ARG A 107 7.460 -24.336 -23.374 1.00 64.31 O ATOM 1347 CB ARG A 107 5.154 -23.841 -20.883 1.00 70.43 C ATOM 1348 CG ARG A 107 3.846 -23.989 -21.644 1.00 23.31 C ATOM 1349 CD ARG A 107 4.036 -23.741 -23.132 1.00 63.43 C ATOM 1350 NE ARG A 107 2.767 -23.742 -23.854 1.00 72.30 N ATOM 1351 CZ ARG A 107 1.871 -22.765 -23.766 1.00 61.21 C ATOM 1352 NH1 ARG A 107 2.106 -21.715 -22.992 1.00 52.31 N ATOM 1353 NH2 ARG A 107 0.739 -22.838 -24.454 1.00 11.42 N ATOM 0 H ARG A 107 6.702 -24.990 -19.314 1.00 44.24 H new ATOM 0 HA ARG A 107 5.798 -25.579 -21.971 1.00 44.11 H new ATOM 0 HB2 ARG A 107 4.968 -24.005 -19.822 1.00 70.43 H new ATOM 0 HB3 ARG A 107 5.512 -22.817 -20.989 1.00 70.43 H new ATOM 0 HG2 ARG A 107 3.445 -24.991 -21.489 1.00 23.31 H new ATOM 0 HG3 ARG A 107 3.112 -23.287 -21.248 1.00 23.31 H new ATOM 0 HD2 ARG A 107 4.536 -22.783 -23.279 1.00 63.43 H new ATOM 0 HD3 ARG A 107 4.689 -24.508 -23.547 1.00 63.43 H new ATOM 0 HE ARG A 107 2.557 -24.536 -24.459 1.00 72.30 H new ATOM 0 HH11 ARG A 107 2.976 -21.656 -22.463 1.00 52.31 H new ATOM 0 HH12 ARG A 107 1.417 -20.966 -22.926 1.00 52.31 H new ATOM 0 HH21 ARG A 107 0.556 -23.645 -25.051 1.00 11.42 H new ATOM 0 HH22 ARG A 107 0.052 -22.088 -24.386 1.00 11.42 H new ATOM 1367 N THR A 108 7.947 -23.085 -21.569 1.00 30.01 N ATOM 1368 CA THR A 108 8.956 -22.290 -22.256 1.00 41.43 C ATOM 1369 C THR A 108 10.068 -23.172 -22.811 1.00 4.34 C ATOM 1370 O THR A 108 10.803 -22.769 -23.713 1.00 62.33 O ATOM 1371 CB THR A 108 9.574 -21.233 -21.320 1.00 55.02 C ATOM 1372 OG1 THR A 108 8.539 -20.440 -20.728 1.00 21.12 O ATOM 1373 CG2 THR A 108 10.536 -20.334 -22.080 1.00 4.12 C ATOM 0 H THR A 108 7.809 -22.835 -20.590 1.00 30.01 H new ATOM 0 HA THR A 108 8.451 -21.785 -23.079 1.00 41.43 H new ATOM 0 HB THR A 108 10.128 -21.751 -20.537 1.00 55.02 H new ATOM 0 HG1 THR A 108 8.667 -19.500 -20.973 1.00 21.12 H new ATOM 0 HG21 THR A 108 10.960 -19.596 -21.399 1.00 4.12 H new ATOM 0 HG22 THR A 108 11.338 -20.937 -22.506 1.00 4.12 H new ATOM 0 HG23 THR A 108 10.001 -19.823 -22.881 1.00 4.12 H new ATOM 1381 N PHE A 109 10.187 -24.378 -22.266 1.00 62.44 N ATOM 1382 CA PHE A 109 11.210 -25.319 -22.707 1.00 64.33 C ATOM 1383 C PHE A 109 10.724 -26.132 -23.903 1.00 42.40 C ATOM 1384 O PHE A 109 11.310 -26.077 -24.983 1.00 43.43 O ATOM 1385 CB PHE A 109 11.598 -26.257 -21.562 1.00 72.55 C ATOM 1386 CG PHE A 109 12.263 -25.557 -20.412 1.00 51.11 C ATOM 1387 CD1 PHE A 109 13.219 -24.580 -20.639 1.00 25.25 C ATOM 1388 CD2 PHE A 109 11.931 -25.875 -19.105 1.00 11.24 C ATOM 1389 CE1 PHE A 109 13.833 -23.934 -19.581 1.00 24.10 C ATOM 1390 CE2 PHE A 109 12.541 -25.232 -18.044 1.00 3.41 C ATOM 1391 CZ PHE A 109 13.493 -24.260 -18.283 1.00 40.22 C ATOM 0 H PHE A 109 9.588 -24.727 -21.518 1.00 62.44 H new ATOM 0 HA PHE A 109 12.086 -24.747 -23.012 1.00 64.33 H new ATOM 0 HB2 PHE A 109 10.704 -26.764 -21.200 1.00 72.55 H new ATOM 0 HB3 PHE A 109 12.268 -27.027 -21.945 1.00 72.55 H new ATOM 0 HD1 PHE A 109 13.488 -24.320 -21.652 1.00 25.25 H new ATOM 0 HD2 PHE A 109 11.187 -26.634 -18.913 1.00 11.24 H new ATOM 0 HE1 PHE A 109 14.578 -23.175 -19.770 1.00 24.10 H new ATOM 0 HE2 PHE A 109 12.274 -25.489 -17.030 1.00 3.41 H new ATOM 0 HZ PHE A 109 13.971 -23.756 -17.456 1.00 40.22 H new ATOM 1401 N GLN A 110 9.648 -26.886 -23.700 1.00 71.02 N ATOM 1402 CA GLN A 110 9.084 -27.711 -24.761 1.00 53.13 C ATOM 1403 C GLN A 110 8.631 -26.852 -25.938 1.00 0.35 C ATOM 1404 O GLN A 110 8.881 -27.186 -27.095 1.00 33.13 O ATOM 1405 CB GLN A 110 7.905 -28.527 -24.228 1.00 62.50 C ATOM 1406 CG GLN A 110 7.754 -29.885 -24.895 1.00 62.12 C ATOM 1407 CD GLN A 110 8.860 -30.849 -24.514 1.00 72.22 C ATOM 1408 OE1 GLN A 110 9.539 -31.407 -25.377 1.00 2.31 O ATOM 1409 NE2 GLN A 110 9.047 -31.052 -23.215 1.00 42.24 N ATOM 0 H GLN A 110 9.150 -26.942 -22.811 1.00 71.02 H new ATOM 0 HA GLN A 110 9.861 -28.391 -25.109 1.00 53.13 H new ATOM 0 HB2 GLN A 110 8.029 -28.670 -23.155 1.00 62.50 H new ATOM 0 HB3 GLN A 110 6.986 -27.958 -24.370 1.00 62.50 H new ATOM 0 HG2 GLN A 110 6.791 -30.316 -24.620 1.00 62.12 H new ATOM 0 HG3 GLN A 110 7.747 -29.755 -25.977 1.00 62.12 H new ATOM 0 HE21 GLN A 110 8.461 -30.569 -22.534 1.00 42.24 H new ATOM 0 HE22 GLN A 110 9.776 -31.691 -22.898 1.00 42.24 H new ATOM 1418 N ALA A 111 7.965 -25.743 -25.632 1.00 12.34 N ATOM 1419 CA ALA A 111 7.480 -24.835 -26.664 1.00 13.42 C ATOM 1420 C ALA A 111 8.610 -24.406 -27.593 1.00 51.05 C ATOM 1421 O ALA A 111 8.406 -24.234 -28.796 1.00 5.35 O ATOM 1422 CB ALA A 111 6.825 -23.616 -26.029 1.00 21.43 C ATOM 0 H ALA A 111 7.749 -25.452 -24.678 1.00 12.34 H new ATOM 0 HA ALA A 111 6.737 -25.365 -27.259 1.00 13.42 H new ATOM 0 HB1 ALA A 111 6.467 -22.946 -26.811 1.00 21.43 H new ATOM 0 HB2 ALA A 111 5.985 -23.934 -25.412 1.00 21.43 H new ATOM 0 HB3 ALA A 111 7.553 -23.093 -25.409 1.00 21.43 H new ATOM 1428 N HIS A 112 9.802 -24.236 -27.029 1.00 52.45 N ATOM 1429 CA HIS A 112 10.964 -23.826 -27.810 1.00 31.25 C ATOM 1430 C HIS A 112 11.467 -24.975 -28.679 1.00 13.12 C ATOM 1431 O HIS A 112 12.226 -24.763 -29.624 1.00 2.43 O ATOM 1432 CB HIS A 112 12.082 -23.345 -26.884 1.00 21.34 C ATOM 1433 CG HIS A 112 13.368 -23.059 -27.595 1.00 3.30 C ATOM 1434 ND1 HIS A 112 13.517 -22.020 -28.491 1.00 23.51 N ATOM 1435 CD2 HIS A 112 14.569 -23.680 -27.538 1.00 1.32 C ATOM 1436 CE1 HIS A 112 14.754 -22.018 -28.955 1.00 43.34 C ATOM 1437 NE2 HIS A 112 15.413 -23.014 -28.393 1.00 11.35 N ATOM 0 H HIS A 112 9.988 -24.376 -26.036 1.00 52.45 H new ATOM 0 HA HIS A 112 10.663 -23.006 -28.461 1.00 31.25 H new ATOM 0 HB2 HIS A 112 11.753 -22.442 -26.369 1.00 21.34 H new ATOM 0 HB3 HIS A 112 12.260 -24.101 -26.119 1.00 21.34 H new ATOM 0 HD2 HIS A 112 14.818 -24.539 -26.933 1.00 1.32 H new ATOM 0 HE1 HIS A 112 15.158 -21.319 -29.673 1.00 43.34 H new ATOM 0 HE2 HIS A 112 16.390 -23.251 -28.566 1.00 11.35 H new ATOM 1445 N GLN A 113 11.038 -26.190 -28.352 1.00 40.51 N ATOM 1446 CA GLN A 113 11.446 -27.371 -29.102 1.00 71.22 C ATOM 1447 C GLN A 113 10.494 -27.633 -30.265 1.00 24.21 C ATOM 1448 O GLN A 113 10.915 -27.713 -31.419 1.00 12.51 O ATOM 1449 CB GLN A 113 11.497 -28.593 -28.184 1.00 52.22 C ATOM 1450 CG GLN A 113 12.461 -28.439 -27.019 1.00 11.45 C ATOM 1451 CD GLN A 113 13.872 -28.869 -27.368 1.00 72.44 C ATOM 1452 OE1 GLN A 113 14.112 -30.027 -27.713 1.00 10.33 O ATOM 1453 NE2 GLN A 113 14.814 -27.939 -27.280 1.00 44.53 N ATOM 0 H GLN A 113 10.408 -26.382 -27.573 1.00 40.51 H new ATOM 0 HA GLN A 113 12.442 -27.188 -29.505 1.00 71.22 H new ATOM 0 HB2 GLN A 113 10.497 -28.786 -27.795 1.00 52.22 H new ATOM 0 HB3 GLN A 113 11.785 -29.466 -28.770 1.00 52.22 H new ATOM 0 HG2 GLN A 113 12.472 -27.398 -26.697 1.00 11.45 H new ATOM 0 HG3 GLN A 113 12.103 -29.030 -26.176 1.00 11.45 H new ATOM 0 HE21 GLN A 113 14.570 -26.992 -26.990 1.00 44.53 H new ATOM 0 HE22 GLN A 113 15.782 -28.171 -27.502 1.00 44.53 H new ATOM 1462 N ASN A 114 9.210 -27.766 -29.953 1.00 14.23 N ATOM 1463 CA ASN A 114 8.197 -28.020 -30.972 1.00 1.24 C ATOM 1464 C ASN A 114 7.928 -26.764 -31.796 1.00 14.02 C ATOM 1465 O ASN A 114 7.391 -26.836 -32.900 1.00 62.10 O ATOM 1466 CB ASN A 114 6.900 -28.506 -30.322 1.00 60.23 C ATOM 1467 CG ASN A 114 6.558 -27.731 -29.064 1.00 63.51 C ATOM 1468 OD1 ASN A 114 6.373 -26.516 -29.101 1.00 42.34 O ATOM 1469 ND2 ASN A 114 6.474 -28.436 -27.941 1.00 75.34 N ATOM 0 H ASN A 114 8.845 -27.702 -29.003 1.00 14.23 H new ATOM 0 HA ASN A 114 8.574 -28.796 -31.638 1.00 1.24 H new ATOM 0 HB2 ASN A 114 6.082 -28.413 -31.036 1.00 60.23 H new ATOM 0 HB3 ASN A 114 6.993 -29.565 -30.079 1.00 60.23 H new ATOM 0 HD21 ASN A 114 6.248 -27.970 -27.062 1.00 75.34 H new ATOM 0 HD22 ASN A 114 6.636 -29.443 -27.958 1.00 75.34 H new ATOM 1476 N GLY A 115 8.304 -25.611 -31.249 1.00 65.32 N ATOM 1477 CA GLY A 115 8.095 -24.356 -31.946 1.00 21.21 C ATOM 1478 C GLY A 115 6.928 -23.568 -31.385 1.00 24.24 C ATOM 1479 O GLY A 115 6.641 -22.461 -31.840 1.00 75.05 O ATOM 0 H GLY A 115 8.750 -25.525 -30.336 1.00 65.32 H new ATOM 0 HA2 GLY A 115 9.001 -23.753 -31.882 1.00 21.21 H new ATOM 0 HA3 GLY A 115 7.920 -24.556 -33.003 1.00 21.21 H new ATOM 1483 N LEU A 116 6.254 -24.139 -30.393 1.00 34.45 N ATOM 1484 CA LEU A 116 5.110 -23.483 -29.768 1.00 72.52 C ATOM 1485 C LEU A 116 5.519 -22.154 -29.142 1.00 74.14 C ATOM 1486 O LEU A 116 4.676 -21.296 -28.876 1.00 62.11 O ATOM 1487 CB LEU A 116 4.494 -24.394 -28.704 1.00 44.11 C ATOM 1488 CG LEU A 116 3.127 -23.968 -28.167 1.00 72.54 C ATOM 1489 CD1 LEU A 116 3.285 -22.935 -27.063 1.00 50.34 C ATOM 1490 CD2 LEU A 116 2.259 -23.422 -29.291 1.00 41.02 C ATOM 0 H LEU A 116 6.479 -25.055 -30.004 1.00 34.45 H new ATOM 0 HA LEU A 116 4.368 -23.285 -30.542 1.00 72.52 H new ATOM 0 HB2 LEU A 116 4.402 -25.397 -29.122 1.00 44.11 H new ATOM 0 HB3 LEU A 116 5.187 -24.460 -27.865 1.00 44.11 H new ATOM 0 HG LEU A 116 2.634 -24.845 -27.747 1.00 72.54 H new ATOM 0 HD11 LEU A 116 2.302 -22.644 -26.693 1.00 50.34 H new ATOM 0 HD12 LEU A 116 3.868 -23.361 -26.247 1.00 50.34 H new ATOM 0 HD13 LEU A 116 3.799 -22.058 -27.456 1.00 50.34 H new ATOM 0 HD21 LEU A 116 1.290 -23.124 -28.890 1.00 41.02 H new ATOM 0 HD22 LEU A 116 2.747 -22.557 -29.741 1.00 41.02 H new ATOM 0 HD23 LEU A 116 2.117 -24.193 -30.048 1.00 41.02 H new ATOM 1502 N LEU A 117 6.817 -21.990 -28.912 1.00 1.00 N ATOM 1503 CA LEU A 117 7.338 -20.763 -28.320 1.00 25.25 C ATOM 1504 C LEU A 117 7.641 -19.724 -29.395 1.00 62.22 C ATOM 1505 O LEU A 117 7.218 -18.573 -29.296 1.00 32.34 O ATOM 1506 CB LEU A 117 8.603 -21.061 -27.512 1.00 63.14 C ATOM 1507 CG LEU A 117 8.922 -20.086 -26.378 1.00 75.34 C ATOM 1508 CD1 LEU A 117 7.850 -20.153 -25.301 1.00 5.02 C ATOM 1509 CD2 LEU A 117 10.292 -20.383 -25.789 1.00 2.22 C ATOM 0 H LEU A 117 7.527 -22.690 -29.126 1.00 1.00 H new ATOM 0 HA LEU A 117 6.575 -20.358 -27.655 1.00 25.25 H new ATOM 0 HB2 LEU A 117 8.512 -22.061 -27.089 1.00 63.14 H new ATOM 0 HB3 LEU A 117 9.451 -21.080 -28.197 1.00 63.14 H new ATOM 0 HG LEU A 117 8.936 -19.075 -26.786 1.00 75.34 H new ATOM 0 HD11 LEU A 117 8.093 -19.453 -24.502 1.00 5.02 H new ATOM 0 HD12 LEU A 117 6.884 -19.890 -25.732 1.00 5.02 H new ATOM 0 HD13 LEU A 117 7.804 -21.164 -24.896 1.00 5.02 H new ATOM 0 HD21 LEU A 117 10.502 -19.679 -24.983 1.00 2.22 H new ATOM 0 HD22 LEU A 117 10.306 -21.400 -25.396 1.00 2.22 H new ATOM 0 HD23 LEU A 117 11.051 -20.283 -26.565 1.00 2.22 H new ATOM 1521 N GLN A 118 8.374 -20.141 -30.422 1.00 64.14 N ATOM 1522 CA GLN A 118 8.733 -19.246 -31.518 1.00 34.05 C ATOM 1523 C GLN A 118 7.485 -18.681 -32.188 1.00 32.12 C ATOM 1524 O GLN A 118 7.482 -17.546 -32.665 1.00 3.11 O ATOM 1525 CB GLN A 118 9.590 -19.984 -32.547 1.00 44.23 C ATOM 1526 CG GLN A 118 8.796 -20.923 -33.439 1.00 73.34 C ATOM 1527 CD GLN A 118 9.616 -21.467 -34.592 1.00 2.15 C ATOM 1528 OE1 GLN A 118 10.797 -21.781 -34.435 1.00 54.50 O ATOM 1529 NE2 GLN A 118 8.994 -21.582 -35.759 1.00 63.54 N ATOM 0 H GLN A 118 8.731 -21.092 -30.519 1.00 64.14 H new ATOM 0 HA GLN A 118 9.308 -18.418 -31.105 1.00 34.05 H new ATOM 0 HB2 GLN A 118 10.105 -19.253 -33.170 1.00 44.23 H new ATOM 0 HB3 GLN A 118 10.358 -20.555 -32.025 1.00 44.23 H new ATOM 0 HG2 GLN A 118 8.420 -21.754 -32.842 1.00 73.34 H new ATOM 0 HG3 GLN A 118 7.927 -20.395 -33.833 1.00 73.34 H new ATOM 0 HE21 GLN A 118 8.015 -21.310 -35.844 1.00 63.54 H new ATOM 0 HE22 GLN A 118 9.495 -21.942 -36.571 1.00 63.54 H new ATOM 1538 N LYS A 119 6.424 -19.481 -32.223 1.00 44.42 N ATOM 1539 CA LYS A 119 5.169 -19.061 -32.834 1.00 30.11 C ATOM 1540 C LYS A 119 4.424 -18.084 -31.932 1.00 12.13 C ATOM 1541 O LYS A 119 3.577 -17.318 -32.394 1.00 12.11 O ATOM 1542 CB LYS A 119 4.287 -20.279 -33.124 1.00 13.23 C ATOM 1543 CG LYS A 119 3.808 -20.994 -31.872 1.00 52.32 C ATOM 1544 CD LYS A 119 2.658 -21.940 -32.176 1.00 42.15 C ATOM 1545 CE LYS A 119 1.346 -21.425 -31.605 1.00 61.21 C ATOM 1546 NZ LYS A 119 0.302 -22.486 -31.570 1.00 34.24 N ATOM 0 H LYS A 119 6.409 -20.424 -31.835 1.00 44.42 H new ATOM 0 HA LYS A 119 5.401 -18.556 -33.772 1.00 30.11 H new ATOM 0 HB2 LYS A 119 3.421 -19.960 -33.704 1.00 13.23 H new ATOM 0 HB3 LYS A 119 4.844 -20.982 -33.743 1.00 13.23 H new ATOM 0 HG2 LYS A 119 4.634 -21.553 -31.433 1.00 52.32 H new ATOM 0 HG3 LYS A 119 3.491 -20.260 -31.131 1.00 52.32 H new ATOM 0 HD2 LYS A 119 2.563 -22.064 -33.255 1.00 42.15 H new ATOM 0 HD3 LYS A 119 2.875 -22.924 -31.760 1.00 42.15 H new ATOM 0 HE2 LYS A 119 1.513 -21.046 -30.597 1.00 61.21 H new ATOM 0 HE3 LYS A 119 0.992 -20.587 -32.206 1.00 61.21 H new ATOM 0 HZ1 LYS A 119 -0.518 -22.185 -32.134 1.00 34.24 H new ATOM 0 HZ2 LYS A 119 0.689 -23.367 -31.965 1.00 34.24 H new ATOM 0 HZ3 LYS A 119 0.005 -22.648 -30.587 1.00 34.24 H new ATOM 1560 N LEU A 120 4.744 -18.114 -30.643 1.00 2.24 N ATOM 1561 CA LEU A 120 4.106 -17.229 -29.674 1.00 53.42 C ATOM 1562 C LEU A 120 4.780 -15.860 -29.661 1.00 14.10 C ATOM 1563 O LEU A 120 4.111 -14.826 -29.674 1.00 35.41 O ATOM 1564 CB LEU A 120 4.156 -17.848 -28.277 1.00 12.22 C ATOM 1565 CG LEU A 120 3.612 -16.983 -27.139 1.00 73.12 C ATOM 1566 CD1 LEU A 120 2.167 -17.349 -26.834 1.00 43.31 C ATOM 1567 CD2 LEU A 120 4.476 -17.133 -25.896 1.00 31.12 C ATOM 0 H LEU A 120 5.442 -18.742 -30.244 1.00 2.24 H new ATOM 0 HA LEU A 120 3.065 -17.098 -29.969 1.00 53.42 H new ATOM 0 HB2 LEU A 120 3.596 -18.783 -28.296 1.00 12.22 H new ATOM 0 HB3 LEU A 120 5.192 -18.101 -28.051 1.00 12.22 H new ATOM 0 HG LEU A 120 3.642 -15.940 -27.454 1.00 73.12 H new ATOM 0 HD11 LEU A 120 1.797 -16.723 -26.022 1.00 43.31 H new ATOM 0 HD12 LEU A 120 1.556 -17.189 -27.722 1.00 43.31 H new ATOM 0 HD13 LEU A 120 2.112 -18.397 -26.539 1.00 43.31 H new ATOM 0 HD21 LEU A 120 4.074 -16.511 -25.096 1.00 31.12 H new ATOM 0 HD22 LEU A 120 4.478 -18.176 -25.578 1.00 31.12 H new ATOM 0 HD23 LEU A 120 5.496 -16.820 -26.122 1.00 31.12 H new ATOM 1579 N LEU A 121 6.108 -15.861 -29.638 1.00 14.24 N ATOM 1580 CA LEU A 121 6.874 -14.619 -29.624 1.00 73.33 C ATOM 1581 C LEU A 121 6.604 -13.800 -30.882 1.00 73.01 C ATOM 1582 O LEU A 121 6.752 -12.579 -30.883 1.00 3.13 O ATOM 1583 CB LEU A 121 8.369 -14.921 -29.510 1.00 2.32 C ATOM 1584 CG LEU A 121 8.782 -15.839 -28.359 1.00 5.31 C ATOM 1585 CD1 LEU A 121 10.264 -15.680 -28.054 1.00 42.44 C ATOM 1586 CD2 LEU A 121 7.948 -15.550 -27.120 1.00 13.34 C ATOM 0 H LEU A 121 6.677 -16.707 -29.629 1.00 14.24 H new ATOM 0 HA LEU A 121 6.560 -14.036 -28.758 1.00 73.33 H new ATOM 0 HB2 LEU A 121 8.701 -15.372 -30.445 1.00 2.32 H new ATOM 0 HB3 LEU A 121 8.903 -13.977 -29.405 1.00 2.32 H new ATOM 0 HG LEU A 121 8.602 -16.871 -28.661 1.00 5.31 H new ATOM 0 HD11 LEU A 121 10.539 -16.341 -27.232 1.00 42.44 H new ATOM 0 HD12 LEU A 121 10.847 -15.938 -28.938 1.00 42.44 H new ATOM 0 HD13 LEU A 121 10.469 -14.647 -27.773 1.00 42.44 H new ATOM 0 HD21 LEU A 121 8.256 -16.213 -26.311 1.00 13.34 H new ATOM 0 HD22 LEU A 121 8.095 -14.514 -26.816 1.00 13.34 H new ATOM 0 HD23 LEU A 121 6.894 -15.716 -27.344 1.00 13.34 H new ATOM 1598 N GLN A 122 6.203 -14.481 -31.951 1.00 63.04 N ATOM 1599 CA GLN A 122 5.911 -13.815 -33.215 1.00 34.40 C ATOM 1600 C GLN A 122 4.701 -12.898 -33.080 1.00 52.34 C ATOM 1601 O GLN A 122 4.529 -11.961 -33.860 1.00 74.41 O ATOM 1602 CB GLN A 122 5.662 -14.850 -34.315 1.00 12.33 C ATOM 1603 CG GLN A 122 6.913 -15.601 -34.738 1.00 60.12 C ATOM 1604 CD GLN A 122 7.375 -15.227 -36.133 1.00 3.21 C ATOM 1605 OE1 GLN A 122 8.528 -14.844 -36.335 1.00 23.03 O ATOM 1606 NE2 GLN A 122 6.477 -15.334 -37.103 1.00 54.04 N ATOM 0 H GLN A 122 6.073 -15.493 -31.967 1.00 63.04 H new ATOM 0 HA GLN A 122 6.775 -13.208 -33.485 1.00 34.40 H new ATOM 0 HB2 GLN A 122 4.919 -15.567 -33.966 1.00 12.33 H new ATOM 0 HB3 GLN A 122 5.238 -14.348 -35.185 1.00 12.33 H new ATOM 0 HG2 GLN A 122 7.713 -15.395 -34.027 1.00 60.12 H new ATOM 0 HG3 GLN A 122 6.719 -16.673 -34.699 1.00 60.12 H new ATOM 0 HE21 GLN A 122 5.533 -15.656 -36.891 1.00 54.04 H new ATOM 0 HE22 GLN A 122 6.731 -15.095 -38.062 1.00 54.04 H new ATOM 1615 N ASP A 123 3.864 -13.174 -32.085 1.00 41.23 N ATOM 1616 CA ASP A 123 2.669 -12.372 -31.847 1.00 33.25 C ATOM 1617 C ASP A 123 1.895 -12.896 -30.641 1.00 1.40 C ATOM 1618 O ASP A 123 1.562 -12.139 -29.729 1.00 55.15 O ATOM 1619 CB ASP A 123 1.771 -12.376 -33.085 1.00 40.23 C ATOM 1620 CG ASP A 123 1.188 -11.008 -33.382 1.00 12.13 C ATOM 1621 OD1 ASP A 123 0.222 -10.613 -32.694 1.00 41.24 O ATOM 1622 OD2 ASP A 123 1.697 -10.332 -34.300 1.00 23.53 O ATOM 0 H ASP A 123 3.991 -13.946 -31.431 1.00 41.23 H new ATOM 0 HA ASP A 123 2.983 -11.349 -31.639 1.00 33.25 H new ATOM 0 HB2 ASP A 123 2.346 -12.718 -33.946 1.00 40.23 H new ATOM 0 HB3 ASP A 123 0.960 -13.090 -32.940 1.00 40.23 H new ATOM 1627 N ASP A 124 1.614 -14.194 -30.644 1.00 14.33 N ATOM 1628 CA ASP A 124 0.878 -14.819 -29.550 1.00 3.22 C ATOM 1629 C ASP A 124 0.708 -16.315 -29.794 1.00 63.12 C ATOM 1630 O ASP A 124 -0.336 -16.761 -30.271 1.00 72.13 O ATOM 1631 CB ASP A 124 -0.490 -14.157 -29.384 1.00 33.33 C ATOM 1632 CG ASP A 124 -1.199 -13.952 -30.708 1.00 30.33 C ATOM 1633 OD1 ASP A 124 -0.874 -12.971 -31.409 1.00 14.52 O ATOM 1634 OD2 ASP A 124 -2.078 -14.773 -31.044 1.00 4.01 O ATOM 0 H ASP A 124 1.884 -14.834 -31.391 1.00 14.33 H new ATOM 0 HA ASP A 124 1.452 -14.682 -28.634 1.00 3.22 H new ATOM 0 HB2 ASP A 124 -1.112 -14.773 -28.734 1.00 33.33 H new ATOM 0 HB3 ASP A 124 -0.367 -13.194 -28.888 1.00 33.33 H new TER 1639 ASP A 124