USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 21 ASN : amide:sc= -0.227 K(o=-0.66,f=-11!) USER MOD Set 1.2: A 27 SER OG : rot 110:sc= -0.432 USER MOD Single : A 5 HIS :FLIP no HD1:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.246 F(o=-1.2!,f=-0.25) USER MOD Single : A 15 HIS : no HD1:sc= 0.935 K(o=0.93,f=-5.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= 1.25 (180deg=0.382) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 2.34 (180deg=2.24) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 0.994 (180deg=0.2) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0483 F(o=-1.8!,f=-0.048) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.114) USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00565) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.211 F(o=-1.5,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -8.448 -6.929 -9.455 1.00 53.33 N ATOM 35 CA VAL A 3 -8.136 -6.201 -8.219 1.00 50.45 C ATOM 36 C VAL A 3 -7.294 -7.050 -7.261 1.00 65.54 C ATOM 37 O VAL A 3 -6.419 -6.530 -6.573 1.00 64.43 O ATOM 38 CB VAL A 3 -9.415 -5.695 -7.499 1.00 14.42 C ATOM 39 CG1 VAL A 3 -10.254 -6.848 -6.967 1.00 75.20 C ATOM 40 CG2 VAL A 3 -9.059 -4.721 -6.378 1.00 61.25 C ATOM 0 HA VAL A 3 -7.551 -5.331 -8.516 1.00 50.45 H new ATOM 0 HB VAL A 3 -10.017 -5.164 -8.237 1.00 14.42 H new ATOM 0 HG11 VAL A 3 -11.140 -6.454 -6.470 1.00 75.20 H new ATOM 0 HG12 VAL A 3 -10.557 -7.489 -7.794 1.00 75.20 H new ATOM 0 HG13 VAL A 3 -9.666 -7.428 -6.255 1.00 75.20 H new ATOM 0 HG21 VAL A 3 -9.971 -4.380 -5.889 1.00 61.25 H new ATOM 0 HG22 VAL A 3 -8.422 -5.222 -5.649 1.00 61.25 H new ATOM 0 HG23 VAL A 3 -8.529 -3.864 -6.795 1.00 61.25 H new ATOM 50 N ASP A 4 -7.538 -8.358 -7.250 1.00 11.02 N ATOM 51 CA ASP A 4 -6.761 -9.282 -6.428 1.00 12.24 C ATOM 52 C ASP A 4 -5.284 -9.224 -6.803 1.00 64.41 C ATOM 53 O ASP A 4 -4.406 -9.234 -5.939 1.00 61.22 O ATOM 54 CB ASP A 4 -7.275 -10.717 -6.599 1.00 71.10 C ATOM 55 CG ASP A 4 -8.680 -10.908 -6.071 1.00 72.02 C ATOM 56 OD1 ASP A 4 -9.648 -10.540 -6.777 1.00 23.32 O ATOM 57 OD2 ASP A 4 -8.831 -11.433 -4.948 1.00 51.42 O ATOM 0 H ASP A 4 -8.270 -8.803 -7.803 1.00 11.02 H new ATOM 0 HA ASP A 4 -6.876 -8.982 -5.386 1.00 12.24 H new ATOM 0 HB2 ASP A 4 -7.251 -10.982 -7.656 1.00 71.10 H new ATOM 0 HB3 ASP A 4 -6.602 -11.402 -6.083 1.00 71.10 H new ATOM 62 N HIS A 5 -5.019 -9.147 -8.098 1.00 24.21 N ATOM 63 CA HIS A 5 -3.656 -9.105 -8.601 1.00 14.21 C ATOM 64 C HIS A 5 -3.089 -7.696 -8.463 1.00 63.53 C ATOM 65 O HIS A 5 -1.878 -7.517 -8.353 1.00 22.13 O ATOM 66 CB HIS A 5 -3.610 -9.559 -10.062 1.00 21.22 C ATOM 67 CG HIS A 5 -2.290 -10.143 -10.478 1.00 63.53 C ATOM 68 ND1 HIS A 5 -1.079 -10.144 -9.867 1.00 42.20 N flip ATOM 69 CD2 HIS A 5 -2.119 -10.849 -11.647 1.00 1.52 C flip ATOM 70 CE1 HIS A 5 -0.215 -10.845 -10.670 1.00 11.35 C flip ATOM 71 NE2 HIS A 5 -0.871 -11.259 -11.737 1.00 10.20 N flip ATOM 0 H HIS A 5 -5.735 -9.112 -8.823 1.00 24.21 H new ATOM 0 HA HIS A 5 -3.045 -9.787 -8.010 1.00 14.21 H new ATOM 0 HB2 HIS A 5 -4.392 -10.300 -10.226 1.00 21.22 H new ATOM 0 HB3 HIS A 5 -3.838 -8.708 -10.704 1.00 21.22 H new ATOM 0 HD2 HIS A 5 -2.891 -11.038 -12.379 1.00 1.52 H new ATOM 0 HE1 HIS A 5 0.829 -11.028 -10.463 1.00 11.35 H new ATOM 0 HE2 HIS A 5 -0.477 -11.805 -12.503 1.00 10.20 H new ATOM 80 N GLU A 6 -3.968 -6.697 -8.468 1.00 53.44 N ATOM 81 CA GLU A 6 -3.549 -5.312 -8.268 1.00 53.52 C ATOM 82 C GLU A 6 -3.028 -5.130 -6.844 1.00 71.14 C ATOM 83 O GLU A 6 -2.160 -4.297 -6.588 1.00 43.44 O ATOM 84 CB GLU A 6 -4.702 -4.337 -8.526 1.00 50.42 C ATOM 85 CG GLU A 6 -5.463 -4.592 -9.821 1.00 72.51 C ATOM 86 CD GLU A 6 -4.584 -4.610 -11.055 1.00 74.11 C ATOM 87 OE1 GLU A 6 -4.066 -5.693 -11.403 1.00 2.52 O ATOM 88 OE2 GLU A 6 -4.444 -3.558 -11.711 1.00 21.15 O ATOM 0 H GLU A 6 -4.971 -6.820 -8.608 1.00 53.44 H new ATOM 0 HA GLU A 6 -2.755 -5.093 -8.981 1.00 53.52 H new ATOM 0 HB2 GLU A 6 -5.401 -4.391 -7.691 1.00 50.42 H new ATOM 0 HB3 GLU A 6 -4.306 -3.322 -8.545 1.00 50.42 H new ATOM 0 HG2 GLU A 6 -5.983 -5.547 -9.743 1.00 72.51 H new ATOM 0 HG3 GLU A 6 -6.225 -3.822 -9.941 1.00 72.51 H new ATOM 95 N VAL A 7 -3.562 -5.921 -5.919 1.00 53.02 N ATOM 96 CA VAL A 7 -3.062 -5.940 -4.551 1.00 63.05 C ATOM 97 C VAL A 7 -1.624 -6.464 -4.532 1.00 40.53 C ATOM 98 O VAL A 7 -0.780 -5.983 -3.778 1.00 43.23 O ATOM 99 CB VAL A 7 -3.944 -6.816 -3.631 1.00 52.34 C ATOM 100 CG1 VAL A 7 -3.454 -6.753 -2.194 1.00 25.35 C ATOM 101 CG2 VAL A 7 -5.403 -6.390 -3.709 1.00 71.53 C ATOM 0 H VAL A 7 -4.341 -6.557 -6.093 1.00 53.02 H new ATOM 0 HA VAL A 7 -3.092 -4.918 -4.172 1.00 63.05 H new ATOM 0 HB VAL A 7 -3.868 -7.846 -3.979 1.00 52.34 H new ATOM 0 HG11 VAL A 7 -4.089 -7.377 -1.565 1.00 25.35 H new ATOM 0 HG12 VAL A 7 -2.427 -7.114 -2.144 1.00 25.35 H new ATOM 0 HG13 VAL A 7 -3.494 -5.723 -1.841 1.00 25.35 H new ATOM 0 HG21 VAL A 7 -6.002 -7.022 -3.053 1.00 71.53 H new ATOM 0 HG22 VAL A 7 -5.496 -5.350 -3.396 1.00 71.53 H new ATOM 0 HG23 VAL A 7 -5.758 -6.493 -4.735 1.00 71.53 H new ATOM 111 N ASN A 8 -1.350 -7.450 -5.386 1.00 34.00 N ATOM 112 CA ASN A 8 0.011 -7.960 -5.565 1.00 61.20 C ATOM 113 C ASN A 8 0.880 -6.853 -6.143 1.00 12.44 C ATOM 114 O ASN A 8 2.040 -6.701 -5.777 1.00 34.31 O ATOM 115 CB ASN A 8 0.008 -9.176 -6.505 1.00 51.14 C ATOM 116 CG ASN A 8 1.306 -9.987 -6.513 1.00 65.35 C ATOM 117 OD1 ASN A 8 2.451 -9.345 -6.319 1.00 11.03 O flip ATOM 118 ND2 ASN A 8 1.272 -11.202 -6.715 1.00 32.21 N flip ATOM 0 H ASN A 8 -2.051 -7.912 -5.965 1.00 34.00 H new ATOM 0 HA ASN A 8 0.410 -8.276 -4.601 1.00 61.20 H new ATOM 0 HB2 ASN A 8 -0.813 -9.834 -6.221 1.00 51.14 H new ATOM 0 HB3 ASN A 8 -0.195 -8.832 -7.519 1.00 51.14 H new ATOM 0 HD21 ASN A 8 0.377 -11.670 -6.861 1.00 32.21 H new ATOM 0 HD22 ASN A 8 2.138 -11.740 -6.736 1.00 32.21 H new ATOM 125 N LEU A 9 0.296 -6.072 -7.037 1.00 4.34 N ATOM 126 CA LEU A 9 0.986 -4.941 -7.627 1.00 74.41 C ATOM 127 C LEU A 9 1.314 -3.918 -6.540 1.00 61.11 C ATOM 128 O LEU A 9 2.391 -3.325 -6.526 1.00 73.43 O ATOM 129 CB LEU A 9 0.112 -4.319 -8.720 1.00 4.35 C ATOM 130 CG LEU A 9 0.660 -3.051 -9.366 1.00 34.50 C ATOM 131 CD1 LEU A 9 1.944 -3.341 -10.122 1.00 64.01 C ATOM 132 CD2 LEU A 9 -0.382 -2.439 -10.287 1.00 45.14 C ATOM 0 H LEU A 9 -0.659 -6.203 -7.370 1.00 4.34 H new ATOM 0 HA LEU A 9 1.920 -5.273 -8.081 1.00 74.41 H new ATOM 0 HB2 LEU A 9 -0.045 -5.063 -9.501 1.00 4.35 H new ATOM 0 HB3 LEU A 9 -0.865 -4.094 -8.293 1.00 4.35 H new ATOM 0 HG LEU A 9 0.891 -2.334 -8.578 1.00 34.50 H new ATOM 0 HD11 LEU A 9 2.316 -2.421 -10.574 1.00 64.01 H new ATOM 0 HD12 LEU A 9 2.691 -3.734 -9.433 1.00 64.01 H new ATOM 0 HD13 LEU A 9 1.748 -4.076 -10.903 1.00 64.01 H new ATOM 0 HD21 LEU A 9 0.021 -1.534 -10.742 1.00 45.14 H new ATOM 0 HD22 LEU A 9 -0.642 -3.153 -11.068 1.00 45.14 H new ATOM 0 HD23 LEU A 9 -1.274 -2.189 -9.712 1.00 45.14 H new ATOM 144 N LEU A 10 0.372 -3.742 -5.621 1.00 74.11 N ATOM 145 CA LEU A 10 0.547 -2.865 -4.473 1.00 63.44 C ATOM 146 C LEU A 10 1.716 -3.322 -3.605 1.00 43.10 C ATOM 147 O LEU A 10 2.601 -2.533 -3.275 1.00 51.12 O ATOM 148 CB LEU A 10 -0.742 -2.840 -3.646 1.00 21.14 C ATOM 149 CG LEU A 10 -0.699 -2.004 -2.366 1.00 4.12 C ATOM 150 CD1 LEU A 10 -0.536 -0.529 -2.691 1.00 24.05 C ATOM 151 CD2 LEU A 10 -1.957 -2.242 -1.544 1.00 21.21 C ATOM 0 H LEU A 10 -0.536 -4.205 -5.652 1.00 74.11 H new ATOM 0 HA LEU A 10 0.769 -1.861 -4.835 1.00 63.44 H new ATOM 0 HB2 LEU A 10 -1.548 -2.463 -4.276 1.00 21.14 H new ATOM 0 HB3 LEU A 10 -0.999 -3.865 -3.379 1.00 21.14 H new ATOM 0 HG LEU A 10 0.164 -2.313 -1.777 1.00 4.12 H new ATOM 0 HD11 LEU A 10 -0.508 0.047 -1.766 1.00 24.05 H new ATOM 0 HD12 LEU A 10 0.393 -0.378 -3.241 1.00 24.05 H new ATOM 0 HD13 LEU A 10 -1.376 -0.196 -3.300 1.00 24.05 H new ATOM 0 HD21 LEU A 10 -1.916 -1.642 -0.635 1.00 21.21 H new ATOM 0 HD22 LEU A 10 -2.832 -1.957 -2.128 1.00 21.21 H new ATOM 0 HD23 LEU A 10 -2.025 -3.297 -1.280 1.00 21.21 H new ATOM 163 N VAL A 11 1.724 -4.603 -3.250 1.00 25.01 N ATOM 164 CA VAL A 11 2.756 -5.139 -2.370 1.00 70.14 C ATOM 165 C VAL A 11 4.130 -5.105 -3.040 1.00 32.41 C ATOM 166 O VAL A 11 5.149 -4.979 -2.359 1.00 44.51 O ATOM 167 CB VAL A 11 2.436 -6.572 -1.869 1.00 35.54 C ATOM 168 CG1 VAL A 11 1.070 -6.615 -1.205 1.00 33.25 C ATOM 169 CG2 VAL A 11 2.520 -7.603 -2.987 1.00 0.40 C ATOM 0 H VAL A 11 1.031 -5.286 -3.556 1.00 25.01 H new ATOM 0 HA VAL A 11 2.775 -4.489 -1.495 1.00 70.14 H new ATOM 0 HB VAL A 11 3.195 -6.832 -1.131 1.00 35.54 H new ATOM 0 HG11 VAL A 11 0.865 -7.629 -0.861 1.00 33.25 H new ATOM 0 HG12 VAL A 11 1.057 -5.933 -0.355 1.00 33.25 H new ATOM 0 HG13 VAL A 11 0.307 -6.314 -1.923 1.00 33.25 H new ATOM 0 HG21 VAL A 11 2.288 -8.591 -2.589 1.00 0.40 H new ATOM 0 HG22 VAL A 11 1.805 -7.350 -3.770 1.00 0.40 H new ATOM 0 HG23 VAL A 11 3.527 -7.607 -3.404 1.00 0.40 H new ATOM 179 N GLU A 12 4.160 -5.211 -4.371 1.00 3.31 N ATOM 180 CA GLU A 12 5.408 -5.079 -5.118 1.00 1.21 C ATOM 181 C GLU A 12 5.998 -3.689 -4.916 1.00 43.43 C ATOM 182 O GLU A 12 7.199 -3.540 -4.695 1.00 32.11 O ATOM 183 CB GLU A 12 5.191 -5.332 -6.612 1.00 32.14 C ATOM 184 CG GLU A 12 4.886 -6.780 -6.953 1.00 1.22 C ATOM 185 CD GLU A 12 4.780 -7.011 -8.447 1.00 62.54 C ATOM 186 OE1 GLU A 12 3.685 -6.806 -9.014 1.00 11.52 O ATOM 187 OE2 GLU A 12 5.795 -7.386 -9.071 1.00 2.53 O ATOM 0 H GLU A 12 3.338 -5.387 -4.949 1.00 3.31 H new ATOM 0 HA GLU A 12 6.103 -5.828 -4.739 1.00 1.21 H new ATOM 0 HB2 GLU A 12 4.370 -4.706 -6.961 1.00 32.14 H new ATOM 0 HB3 GLU A 12 6.083 -5.021 -7.156 1.00 32.14 H new ATOM 0 HG2 GLU A 12 5.668 -7.419 -6.544 1.00 1.22 H new ATOM 0 HG3 GLU A 12 3.951 -7.074 -6.475 1.00 1.22 H new ATOM 194 N GLU A 13 5.139 -2.678 -4.970 1.00 4.33 N ATOM 195 CA GLU A 13 5.562 -1.297 -4.769 1.00 4.22 C ATOM 196 C GLU A 13 5.997 -1.063 -3.327 1.00 5.02 C ATOM 197 O GLU A 13 6.925 -0.301 -3.066 1.00 34.31 O ATOM 198 CB GLU A 13 4.437 -0.340 -5.148 1.00 34.31 C ATOM 199 CG GLU A 13 4.095 -0.385 -6.627 1.00 33.03 C ATOM 200 CD GLU A 13 5.271 -0.004 -7.505 1.00 25.15 C ATOM 201 OE1 GLU A 13 6.184 -0.838 -7.695 1.00 42.35 O ATOM 202 OE2 GLU A 13 5.299 1.134 -8.001 1.00 55.44 O ATOM 0 H GLU A 13 4.142 -2.789 -5.152 1.00 4.33 H new ATOM 0 HA GLU A 13 6.419 -1.106 -5.415 1.00 4.22 H new ATOM 0 HB2 GLU A 13 3.548 -0.585 -4.567 1.00 34.31 H new ATOM 0 HB3 GLU A 13 4.725 0.676 -4.878 1.00 34.31 H new ATOM 0 HG2 GLU A 13 3.760 -1.389 -6.889 1.00 33.03 H new ATOM 0 HG3 GLU A 13 3.263 0.291 -6.825 1.00 33.03 H new ATOM 209 N ILE A 14 5.329 -1.732 -2.396 1.00 1.45 N ATOM 210 CA ILE A 14 5.719 -1.686 -0.992 1.00 72.25 C ATOM 211 C ILE A 14 7.116 -2.283 -0.820 1.00 43.04 C ATOM 212 O ILE A 14 7.922 -1.804 -0.025 1.00 34.33 O ATOM 213 CB ILE A 14 4.703 -2.446 -0.108 1.00 62.01 C ATOM 214 CG1 ILE A 14 3.315 -1.816 -0.259 1.00 12.21 C ATOM 215 CG2 ILE A 14 5.143 -2.438 1.353 1.00 25.12 C ATOM 216 CD1 ILE A 14 2.214 -2.590 0.430 1.00 24.22 C ATOM 0 H ILE A 14 4.513 -2.314 -2.588 1.00 1.45 H new ATOM 0 HA ILE A 14 5.731 -0.644 -0.674 1.00 72.25 H new ATOM 0 HB ILE A 14 4.658 -3.484 -0.437 1.00 62.01 H new ATOM 0 HG12 ILE A 14 3.341 -0.803 0.143 1.00 12.21 H new ATOM 0 HG13 ILE A 14 3.078 -1.732 -1.320 1.00 12.21 H new ATOM 0 HG21 ILE A 14 4.413 -2.978 1.956 1.00 25.12 H new ATOM 0 HG22 ILE A 14 6.116 -2.921 1.443 1.00 25.12 H new ATOM 0 HG23 ILE A 14 5.215 -1.409 1.706 1.00 25.12 H new ATOM 0 HD11 ILE A 14 1.262 -2.082 0.278 1.00 24.22 H new ATOM 0 HD12 ILE A 14 2.159 -3.595 0.012 1.00 24.22 H new ATOM 0 HD13 ILE A 14 2.426 -2.652 1.497 1.00 24.22 H new ATOM 228 N HIS A 15 7.397 -3.324 -1.590 1.00 32.54 N ATOM 229 CA HIS A 15 8.719 -3.939 -1.604 1.00 70.31 C ATOM 230 C HIS A 15 9.750 -3.031 -2.273 1.00 34.31 C ATOM 231 O HIS A 15 10.930 -3.070 -1.934 1.00 23.33 O ATOM 232 CB HIS A 15 8.687 -5.289 -2.328 1.00 25.41 C ATOM 233 CG HIS A 15 8.400 -6.461 -1.439 1.00 54.43 C ATOM 234 ND1 HIS A 15 9.383 -7.127 -0.742 1.00 54.45 N ATOM 235 CD2 HIS A 15 7.243 -7.105 -1.158 1.00 45.23 C ATOM 236 CE1 HIS A 15 8.844 -8.131 -0.074 1.00 54.31 C ATOM 237 NE2 HIS A 15 7.548 -8.139 -0.309 1.00 74.01 N ATOM 0 H HIS A 15 6.724 -3.764 -2.217 1.00 32.54 H new ATOM 0 HA HIS A 15 9.011 -4.095 -0.565 1.00 70.31 H new ATOM 0 HB2 HIS A 15 7.931 -5.249 -3.112 1.00 25.41 H new ATOM 0 HB3 HIS A 15 9.647 -5.447 -2.819 1.00 25.41 H new ATOM 0 HD2 HIS A 15 6.262 -6.852 -1.532 1.00 45.23 H new ATOM 0 HE1 HIS A 15 9.376 -8.827 0.558 1.00 54.31 H new ATOM 0 HE2 HIS A 15 6.880 -8.806 0.077 1.00 74.01 H new ATOM 246 N ARG A 16 9.296 -2.228 -3.231 1.00 71.24 N ATOM 247 CA ARG A 16 10.189 -1.406 -4.041 1.00 3.05 C ATOM 248 C ARG A 16 10.527 -0.080 -3.359 1.00 4.11 C ATOM 249 O ARG A 16 11.681 0.348 -3.353 1.00 13.13 O ATOM 250 CB ARG A 16 9.555 -1.140 -5.415 1.00 22.55 C ATOM 251 CG ARG A 16 10.433 -0.311 -6.340 1.00 30.00 C ATOM 252 CD ARG A 16 9.818 -0.137 -7.726 1.00 62.24 C ATOM 253 NE ARG A 16 8.591 0.662 -7.708 1.00 71.50 N ATOM 254 CZ ARG A 16 8.561 1.992 -7.859 1.00 21.32 C ATOM 255 NH1 ARG A 16 9.691 2.682 -7.980 1.00 55.40 N ATOM 256 NH2 ARG A 16 7.397 2.626 -7.896 1.00 31.41 N ATOM 0 H ARG A 16 8.308 -2.129 -3.466 1.00 71.24 H new ATOM 0 HA ARG A 16 11.120 -1.959 -4.165 1.00 3.05 H new ATOM 0 HB2 ARG A 16 9.335 -2.093 -5.895 1.00 22.55 H new ATOM 0 HB3 ARG A 16 8.604 -0.627 -5.274 1.00 22.55 H new ATOM 0 HG2 ARG A 16 10.601 0.670 -5.895 1.00 30.00 H new ATOM 0 HG3 ARG A 16 11.408 -0.789 -6.436 1.00 30.00 H new ATOM 0 HD2 ARG A 16 10.546 0.338 -8.384 1.00 62.24 H new ATOM 0 HD3 ARG A 16 9.601 -1.118 -8.147 1.00 62.24 H new ATOM 0 HE ARG A 16 7.705 0.176 -7.572 1.00 71.50 H new ATOM 0 HH11 ARG A 16 10.589 2.198 -7.958 1.00 55.40 H new ATOM 0 HH12 ARG A 16 9.660 3.695 -8.095 1.00 55.40 H new ATOM 0 HH21 ARG A 16 6.527 2.101 -7.809 1.00 31.41 H new ATOM 0 HH22 ARG A 16 7.372 3.639 -8.011 1.00 31.41 H new ATOM 270 N LEU A 17 9.521 0.574 -2.799 1.00 71.12 N ATOM 271 CA LEU A 17 9.708 1.898 -2.215 1.00 73.01 C ATOM 272 C LEU A 17 9.722 1.845 -0.691 1.00 54.12 C ATOM 273 O LEU A 17 9.915 2.867 -0.032 1.00 0.14 O ATOM 274 CB LEU A 17 8.604 2.847 -2.692 1.00 72.13 C ATOM 275 CG LEU A 17 8.580 3.116 -4.197 1.00 73.22 C ATOM 276 CD1 LEU A 17 7.421 4.029 -4.558 1.00 32.33 C ATOM 277 CD2 LEU A 17 9.897 3.724 -4.652 1.00 13.31 C ATOM 0 H LEU A 17 8.569 0.213 -2.735 1.00 71.12 H new ATOM 0 HA LEU A 17 10.677 2.270 -2.547 1.00 73.01 H new ATOM 0 HB2 LEU A 17 7.639 2.433 -2.398 1.00 72.13 H new ATOM 0 HB3 LEU A 17 8.715 3.798 -2.171 1.00 72.13 H new ATOM 0 HG LEU A 17 8.443 2.165 -4.712 1.00 73.22 H new ATOM 0 HD11 LEU A 17 7.421 4.209 -5.633 1.00 32.33 H new ATOM 0 HD12 LEU A 17 6.482 3.557 -4.269 1.00 32.33 H new ATOM 0 HD13 LEU A 17 7.527 4.977 -4.032 1.00 32.33 H new ATOM 0 HD21 LEU A 17 9.861 3.908 -5.726 1.00 13.31 H new ATOM 0 HD22 LEU A 17 10.064 4.665 -4.128 1.00 13.31 H new ATOM 0 HD23 LEU A 17 10.712 3.035 -4.429 1.00 13.31 H new ATOM 289 N GLY A 18 9.515 0.659 -0.138 1.00 22.34 N ATOM 290 CA GLY A 18 9.459 0.519 1.302 1.00 23.12 C ATOM 291 C GLY A 18 10.707 -0.110 1.881 1.00 43.32 C ATOM 292 O GLY A 18 11.671 -0.383 1.165 1.00 44.00 O ATOM 0 H GLY A 18 9.385 -0.208 -0.660 1.00 22.34 H new ATOM 0 HA2 GLY A 18 9.311 1.501 1.752 1.00 23.12 H new ATOM 0 HA3 GLY A 18 8.594 -0.088 1.570 1.00 23.12 H new ATOM 296 N SER A 19 10.691 -0.325 3.184 1.00 22.10 N ATOM 297 CA SER A 19 11.805 -0.929 3.888 1.00 11.22 C ATOM 298 C SER A 19 11.279 -1.818 5.013 1.00 23.10 C ATOM 299 O SER A 19 10.153 -1.629 5.477 1.00 21.24 O ATOM 300 CB SER A 19 12.712 0.166 4.446 1.00 34.03 C ATOM 301 OG SER A 19 13.158 1.030 3.410 1.00 5.25 O ATOM 0 H SER A 19 9.902 -0.085 3.784 1.00 22.10 H new ATOM 0 HA SER A 19 12.384 -1.545 3.200 1.00 11.22 H new ATOM 0 HB2 SER A 19 12.173 0.742 5.199 1.00 34.03 H new ATOM 0 HB3 SER A 19 13.570 -0.285 4.944 1.00 34.03 H new ATOM 0 HG SER A 19 13.736 1.725 3.789 1.00 5.25 H new ATOM 307 N LYS A 20 12.074 -2.789 5.439 1.00 72.12 N ATOM 308 CA LYS A 20 11.647 -3.712 6.482 1.00 40.53 C ATOM 309 C LYS A 20 11.880 -3.131 7.866 1.00 61.12 C ATOM 310 O LYS A 20 12.923 -2.537 8.144 1.00 21.25 O ATOM 311 CB LYS A 20 12.352 -5.064 6.365 1.00 3.01 C ATOM 312 CG LYS A 20 11.794 -5.944 5.263 1.00 12.30 C ATOM 313 CD LYS A 20 12.380 -7.346 5.319 1.00 32.02 C ATOM 314 CE LYS A 20 11.860 -8.213 4.184 1.00 40.42 C ATOM 315 NZ LYS A 20 12.303 -9.624 4.315 1.00 5.15 N ATOM 0 H LYS A 20 13.014 -2.958 5.081 1.00 72.12 H new ATOM 0 HA LYS A 20 10.577 -3.868 6.342 1.00 40.53 H new ATOM 0 HB2 LYS A 20 13.414 -4.897 6.183 1.00 3.01 H new ATOM 0 HB3 LYS A 20 12.271 -5.591 7.316 1.00 3.01 H new ATOM 0 HG2 LYS A 20 10.709 -5.998 5.353 1.00 12.30 H new ATOM 0 HG3 LYS A 20 12.011 -5.496 4.293 1.00 12.30 H new ATOM 0 HD2 LYS A 20 13.467 -7.289 5.266 1.00 32.02 H new ATOM 0 HD3 LYS A 20 12.131 -7.808 6.274 1.00 32.02 H new ATOM 0 HE2 LYS A 20 10.771 -8.175 4.168 1.00 40.42 H new ATOM 0 HE3 LYS A 20 12.207 -7.811 3.232 1.00 40.42 H new ATOM 0 HZ1 LYS A 20 11.927 -10.181 3.521 1.00 5.15 H new ATOM 0 HZ2 LYS A 20 13.342 -9.664 4.304 1.00 5.15 H new ATOM 0 HZ3 LYS A 20 11.951 -10.017 5.211 1.00 5.15 H new ATOM 329 N ASN A 21 10.887 -3.293 8.718 1.00 64.14 N ATOM 330 CA ASN A 21 10.972 -2.841 10.099 1.00 41.14 C ATOM 331 C ASN A 21 11.587 -3.931 10.975 1.00 44.54 C ATOM 332 O ASN A 21 11.984 -4.986 10.476 1.00 11.24 O ATOM 333 CB ASN A 21 9.585 -2.429 10.621 1.00 50.21 C ATOM 334 CG ASN A 21 8.541 -3.531 10.532 1.00 12.43 C ATOM 335 OD1 ASN A 21 8.846 -4.717 10.650 1.00 42.23 O ATOM 336 ND2 ASN A 21 7.296 -3.144 10.309 1.00 22.00 N ATOM 0 H ASN A 21 10.002 -3.739 8.478 1.00 64.14 H new ATOM 0 HA ASN A 21 11.618 -1.964 10.141 1.00 41.14 H new ATOM 0 HB2 ASN A 21 9.678 -2.113 11.660 1.00 50.21 H new ATOM 0 HB3 ASN A 21 9.236 -1.565 10.055 1.00 50.21 H new ATOM 0 HD21 ASN A 21 6.553 -3.838 10.230 1.00 22.00 H new ATOM 0 HD22 ASN A 21 7.079 -2.152 10.216 1.00 22.00 H new ATOM 343 N ALA A 22 11.649 -3.681 12.277 1.00 21.44 N ATOM 344 CA ALA A 22 12.279 -4.609 13.213 1.00 1.22 C ATOM 345 C ALA A 22 11.507 -5.921 13.327 1.00 24.14 C ATOM 346 O ALA A 22 12.021 -6.911 13.850 1.00 63.31 O ATOM 347 CB ALA A 22 12.412 -3.958 14.578 1.00 62.22 C ATOM 0 H ALA A 22 11.269 -2.840 12.712 1.00 21.44 H new ATOM 0 HA ALA A 22 13.269 -4.848 12.825 1.00 1.22 H new ATOM 0 HB1 ALA A 22 12.883 -4.656 15.270 1.00 62.22 H new ATOM 0 HB2 ALA A 22 13.025 -3.061 14.495 1.00 62.22 H new ATOM 0 HB3 ALA A 22 11.424 -3.689 14.951 1.00 62.22 H new ATOM 353 N ASP A 23 10.280 -5.930 12.832 1.00 12.32 N ATOM 354 CA ASP A 23 9.439 -7.116 12.906 1.00 25.31 C ATOM 355 C ASP A 23 9.687 -8.018 11.701 1.00 43.42 C ATOM 356 O ASP A 23 9.294 -9.181 11.691 1.00 54.30 O ATOM 357 CB ASP A 23 7.961 -6.718 12.981 1.00 34.10 C ATOM 358 CG ASP A 23 7.050 -7.897 13.249 1.00 53.11 C ATOM 359 OD1 ASP A 23 6.925 -8.301 14.426 1.00 71.13 O ATOM 360 OD2 ASP A 23 6.453 -8.423 12.293 1.00 11.55 O ATOM 0 H ASP A 23 9.843 -5.130 12.374 1.00 12.32 H new ATOM 0 HA ASP A 23 9.695 -7.668 13.810 1.00 25.31 H new ATOM 0 HB2 ASP A 23 7.829 -5.976 13.768 1.00 34.10 H new ATOM 0 HB3 ASP A 23 7.669 -6.244 12.044 1.00 34.10 H new ATOM 365 N GLY A 24 10.364 -7.474 10.697 1.00 55.00 N ATOM 366 CA GLY A 24 10.647 -8.228 9.491 1.00 12.31 C ATOM 367 C GLY A 24 9.626 -7.965 8.407 1.00 43.45 C ATOM 368 O GLY A 24 9.671 -8.569 7.333 1.00 23.10 O ATOM 0 H GLY A 24 10.723 -6.519 10.697 1.00 55.00 H new ATOM 0 HA2 GLY A 24 11.640 -7.967 9.125 1.00 12.31 H new ATOM 0 HA3 GLY A 24 10.663 -9.293 9.724 1.00 12.31 H new ATOM 372 N LYS A 25 8.710 -7.056 8.693 1.00 1.22 N ATOM 373 CA LYS A 25 7.658 -6.704 7.759 1.00 72.04 C ATOM 374 C LYS A 25 8.034 -5.455 6.978 1.00 31.54 C ATOM 375 O LYS A 25 8.742 -4.586 7.484 1.00 43.21 O ATOM 376 CB LYS A 25 6.348 -6.463 8.504 1.00 34.43 C ATOM 377 CG LYS A 25 5.709 -7.721 9.066 1.00 40.02 C ATOM 378 CD LYS A 25 4.434 -7.392 9.826 1.00 3.50 C ATOM 379 CE LYS A 25 3.662 -8.644 10.218 1.00 14.55 C ATOM 380 NZ LYS A 25 4.474 -9.575 11.042 1.00 52.10 N ATOM 0 H LYS A 25 8.675 -6.544 9.575 1.00 1.22 H new ATOM 0 HA LYS A 25 7.529 -7.533 7.063 1.00 72.04 H new ATOM 0 HB2 LYS A 25 6.531 -5.766 9.322 1.00 34.43 H new ATOM 0 HB3 LYS A 25 5.642 -5.982 7.827 1.00 34.43 H new ATOM 0 HG2 LYS A 25 5.484 -8.413 8.254 1.00 40.02 H new ATOM 0 HG3 LYS A 25 6.412 -8.225 9.729 1.00 40.02 H new ATOM 0 HD2 LYS A 25 4.683 -6.825 10.723 1.00 3.50 H new ATOM 0 HD3 LYS A 25 3.800 -6.754 9.211 1.00 3.50 H new ATOM 0 HE2 LYS A 25 2.768 -8.358 10.772 1.00 14.55 H new ATOM 0 HE3 LYS A 25 3.327 -9.158 9.317 1.00 14.55 H new ATOM 0 HZ1 LYS A 25 3.843 -10.176 11.610 1.00 52.10 H new ATOM 0 HZ2 LYS A 25 5.054 -10.173 10.420 1.00 52.10 H new ATOM 0 HZ3 LYS A 25 5.094 -9.029 11.674 1.00 52.10 H new ATOM 394 N LEU A 26 7.571 -5.374 5.741 1.00 51.13 N ATOM 395 CA LEU A 26 7.781 -4.192 4.927 1.00 12.13 C ATOM 396 C LEU A 26 6.928 -3.047 5.431 1.00 51.20 C ATOM 397 O LEU A 26 5.841 -3.251 5.963 1.00 5.20 O ATOM 398 CB LEU A 26 7.430 -4.471 3.460 1.00 12.01 C ATOM 399 CG LEU A 26 8.448 -5.284 2.652 1.00 41.34 C ATOM 400 CD1 LEU A 26 9.785 -4.561 2.584 1.00 2.34 C ATOM 401 CD2 LEU A 26 8.621 -6.685 3.219 1.00 45.52 C ATOM 0 H LEU A 26 7.046 -6.116 5.279 1.00 51.13 H new ATOM 0 HA LEU A 26 8.835 -3.921 4.997 1.00 12.13 H new ATOM 0 HB2 LEU A 26 6.476 -4.997 3.432 1.00 12.01 H new ATOM 0 HB3 LEU A 26 7.282 -3.515 2.958 1.00 12.01 H new ATOM 0 HG LEU A 26 8.059 -5.384 1.639 1.00 41.34 H new ATOM 0 HD11 LEU A 26 10.492 -5.156 2.006 1.00 2.34 H new ATOM 0 HD12 LEU A 26 9.650 -3.591 2.105 1.00 2.34 H new ATOM 0 HD13 LEU A 26 10.172 -4.417 3.593 1.00 2.34 H new ATOM 0 HD21 LEU A 26 9.350 -7.232 2.621 1.00 45.52 H new ATOM 0 HD22 LEU A 26 8.972 -6.620 4.249 1.00 45.52 H new ATOM 0 HD23 LEU A 26 7.665 -7.208 3.194 1.00 45.52 H new ATOM 413 N SER A 27 7.444 -1.848 5.304 1.00 64.25 N ATOM 414 CA SER A 27 6.667 -0.660 5.554 1.00 25.22 C ATOM 415 C SER A 27 7.075 0.411 4.561 1.00 41.02 C ATOM 416 O SER A 27 8.251 0.530 4.217 1.00 34.11 O ATOM 417 CB SER A 27 6.880 -0.177 6.986 1.00 43.31 C ATOM 418 OG SER A 27 6.609 -1.208 7.922 1.00 54.12 O ATOM 0 H SER A 27 8.409 -1.670 5.026 1.00 64.25 H new ATOM 0 HA SER A 27 5.607 -0.882 5.431 1.00 25.22 H new ATOM 0 HB2 SER A 27 7.907 0.167 7.107 1.00 43.31 H new ATOM 0 HB3 SER A 27 6.232 0.677 7.184 1.00 43.31 H new ATOM 0 HG SER A 27 7.447 -1.503 8.336 1.00 54.12 H new ATOM 424 N VAL A 28 6.114 1.176 4.094 1.00 11.43 N ATOM 425 CA VAL A 28 6.382 2.194 3.099 1.00 44.13 C ATOM 426 C VAL A 28 5.586 3.450 3.408 1.00 41.44 C ATOM 427 O VAL A 28 4.450 3.375 3.876 1.00 13.24 O ATOM 428 CB VAL A 28 6.043 1.679 1.680 1.00 3.34 C ATOM 429 CG1 VAL A 28 4.584 1.265 1.594 1.00 63.33 C ATOM 430 CG2 VAL A 28 6.368 2.721 0.619 1.00 22.13 C ATOM 0 H VAL A 28 5.139 1.114 4.386 1.00 11.43 H new ATOM 0 HA VAL A 28 7.445 2.433 3.130 1.00 44.13 H new ATOM 0 HB VAL A 28 6.663 0.804 1.488 1.00 3.34 H new ATOM 0 HG11 VAL A 28 4.366 0.906 0.588 1.00 63.33 H new ATOM 0 HG12 VAL A 28 4.388 0.470 2.313 1.00 63.33 H new ATOM 0 HG13 VAL A 28 3.949 2.122 1.819 1.00 63.33 H new ATOM 0 HG21 VAL A 28 6.118 2.327 -0.366 1.00 22.13 H new ATOM 0 HG22 VAL A 28 5.788 3.625 0.807 1.00 22.13 H new ATOM 0 HG23 VAL A 28 7.431 2.958 0.656 1.00 22.13 H new ATOM 440 N LYS A 29 6.193 4.601 3.175 1.00 41.30 N ATOM 441 CA LYS A 29 5.530 5.865 3.426 1.00 1.14 C ATOM 442 C LYS A 29 4.457 6.117 2.387 1.00 41.43 C ATOM 443 O LYS A 29 4.696 5.992 1.183 1.00 10.41 O ATOM 444 CB LYS A 29 6.532 7.010 3.421 1.00 2.13 C ATOM 445 CG LYS A 29 7.618 6.851 4.457 1.00 22.42 C ATOM 446 CD LYS A 29 7.085 6.976 5.876 1.00 73.33 C ATOM 447 CE LYS A 29 8.197 6.777 6.893 1.00 53.24 C ATOM 448 NZ LYS A 29 7.722 6.931 8.292 1.00 42.12 N ATOM 0 H LYS A 29 7.143 4.684 2.813 1.00 41.30 H new ATOM 0 HA LYS A 29 5.065 5.812 4.410 1.00 1.14 H new ATOM 0 HB2 LYS A 29 6.988 7.082 2.434 1.00 2.13 H new ATOM 0 HB3 LYS A 29 6.004 7.947 3.597 1.00 2.13 H new ATOM 0 HG2 LYS A 29 8.094 5.878 4.335 1.00 22.42 H new ATOM 0 HG3 LYS A 29 8.387 7.605 4.292 1.00 22.42 H new ATOM 0 HD2 LYS A 29 6.633 7.958 6.014 1.00 73.33 H new ATOM 0 HD3 LYS A 29 6.300 6.238 6.040 1.00 73.33 H new ATOM 0 HE2 LYS A 29 8.628 5.784 6.766 1.00 53.24 H new ATOM 0 HE3 LYS A 29 8.993 7.496 6.702 1.00 53.24 H new ATOM 0 HZ1 LYS A 29 8.474 6.638 8.948 1.00 42.12 H new ATOM 0 HZ2 LYS A 29 7.477 7.926 8.468 1.00 42.12 H new ATOM 0 HZ3 LYS A 29 6.882 6.336 8.441 1.00 42.12 H new ATOM 462 N PHE A 30 3.283 6.471 2.867 1.00 2.11 N ATOM 463 CA PHE A 30 2.144 6.736 2.001 1.00 42.22 C ATOM 464 C PHE A 30 2.461 7.874 1.045 1.00 62.25 C ATOM 465 O PHE A 30 2.105 7.831 -0.130 1.00 52.22 O ATOM 466 CB PHE A 30 0.911 7.088 2.830 1.00 13.34 C ATOM 467 CG PHE A 30 -0.345 7.211 2.015 1.00 64.42 C ATOM 468 CD1 PHE A 30 -1.074 6.087 1.668 1.00 33.10 C ATOM 469 CD2 PHE A 30 -0.795 8.452 1.595 1.00 35.12 C ATOM 470 CE1 PHE A 30 -2.226 6.199 0.914 1.00 33.24 C ATOM 471 CE2 PHE A 30 -1.946 8.569 0.841 1.00 54.43 C ATOM 472 CZ PHE A 30 -2.664 7.440 0.501 1.00 71.02 C ATOM 0 H PHE A 30 3.088 6.584 3.862 1.00 2.11 H new ATOM 0 HA PHE A 30 1.936 5.834 1.425 1.00 42.22 H new ATOM 0 HB2 PHE A 30 0.766 6.323 3.593 1.00 13.34 H new ATOM 0 HB3 PHE A 30 1.090 8.028 3.351 1.00 13.34 H new ATOM 0 HD1 PHE A 30 -0.739 5.112 1.990 1.00 33.10 H new ATOM 0 HD2 PHE A 30 -0.239 9.339 1.860 1.00 35.12 H new ATOM 0 HE1 PHE A 30 -2.784 5.314 0.648 1.00 33.24 H new ATOM 0 HE2 PHE A 30 -2.284 9.542 0.518 1.00 54.43 H new ATOM 0 HZ PHE A 30 -3.566 7.528 -0.087 1.00 71.02 H new ATOM 482 N GLY A 31 3.144 8.885 1.565 1.00 60.21 N ATOM 483 CA GLY A 31 3.522 10.032 0.759 1.00 20.52 C ATOM 484 C GLY A 31 4.378 9.649 -0.432 1.00 62.44 C ATOM 485 O GLY A 31 4.236 10.220 -1.513 1.00 23.44 O ATOM 0 H GLY A 31 3.446 8.932 2.538 1.00 60.21 H new ATOM 0 HA2 GLY A 31 2.622 10.537 0.408 1.00 20.52 H new ATOM 0 HA3 GLY A 31 4.066 10.744 1.379 1.00 20.52 H new ATOM 489 N VAL A 32 5.244 8.661 -0.240 1.00 21.43 N ATOM 490 CA VAL A 32 6.137 8.214 -1.300 1.00 60.33 C ATOM 491 C VAL A 32 5.342 7.478 -2.368 1.00 44.13 C ATOM 492 O VAL A 32 5.475 7.756 -3.563 1.00 42.23 O ATOM 493 CB VAL A 32 7.249 7.284 -0.766 1.00 52.21 C ATOM 494 CG1 VAL A 32 8.192 6.868 -1.885 1.00 74.42 C ATOM 495 CG2 VAL A 32 8.018 7.957 0.360 1.00 51.44 C ATOM 0 H VAL A 32 5.346 8.155 0.640 1.00 21.43 H new ATOM 0 HA VAL A 32 6.610 9.100 -1.723 1.00 60.33 H new ATOM 0 HB VAL A 32 6.776 6.386 -0.369 1.00 52.21 H new ATOM 0 HG11 VAL A 32 8.966 6.214 -1.484 1.00 74.42 H new ATOM 0 HG12 VAL A 32 7.631 6.338 -2.655 1.00 74.42 H new ATOM 0 HG13 VAL A 32 8.655 7.754 -2.319 1.00 74.42 H new ATOM 0 HG21 VAL A 32 8.796 7.285 0.722 1.00 51.44 H new ATOM 0 HG22 VAL A 32 8.474 8.875 -0.009 1.00 51.44 H new ATOM 0 HG23 VAL A 32 7.335 8.194 1.176 1.00 51.44 H new ATOM 505 N LEU A 33 4.498 6.554 -1.921 1.00 53.04 N ATOM 506 CA LEU A 33 3.664 5.780 -2.830 1.00 1.40 C ATOM 507 C LEU A 33 2.704 6.675 -3.594 1.00 55.33 C ATOM 508 O LEU A 33 2.608 6.586 -4.810 1.00 61.02 O ATOM 509 CB LEU A 33 2.860 4.731 -2.061 1.00 12.14 C ATOM 510 CG LEU A 33 3.627 3.475 -1.653 1.00 32.40 C ATOM 511 CD1 LEU A 33 2.689 2.487 -0.981 1.00 41.11 C ATOM 512 CD2 LEU A 33 4.296 2.838 -2.860 1.00 75.11 C ATOM 0 H LEU A 33 4.374 6.324 -0.935 1.00 53.04 H new ATOM 0 HA LEU A 33 4.329 5.286 -3.539 1.00 1.40 H new ATOM 0 HB2 LEU A 33 2.457 5.197 -1.161 1.00 12.14 H new ATOM 0 HB3 LEU A 33 2.009 4.432 -2.673 1.00 12.14 H new ATOM 0 HG LEU A 33 4.405 3.758 -0.944 1.00 32.40 H new ATOM 0 HD11 LEU A 33 3.245 1.595 -0.694 1.00 41.11 H new ATOM 0 HD12 LEU A 33 2.254 2.945 -0.093 1.00 41.11 H new ATOM 0 HD13 LEU A 33 1.894 2.211 -1.674 1.00 41.11 H new ATOM 0 HD21 LEU A 33 4.837 1.945 -2.547 1.00 75.11 H new ATOM 0 HD22 LEU A 33 3.538 2.565 -3.594 1.00 75.11 H new ATOM 0 HD23 LEU A 33 4.994 3.547 -3.306 1.00 75.11 H new ATOM 524 N PHE A 34 2.030 7.561 -2.876 1.00 34.23 N ATOM 525 CA PHE A 34 1.013 8.418 -3.472 1.00 31.53 C ATOM 526 C PHE A 34 1.621 9.321 -4.541 1.00 22.34 C ATOM 527 O PHE A 34 1.031 9.531 -5.599 1.00 33.03 O ATOM 528 CB PHE A 34 0.334 9.257 -2.387 1.00 55.21 C ATOM 529 CG PHE A 34 -0.827 10.073 -2.882 1.00 61.22 C ATOM 530 CD1 PHE A 34 -2.048 9.472 -3.143 1.00 62.32 C ATOM 531 CD2 PHE A 34 -0.700 11.439 -3.077 1.00 52.33 C ATOM 532 CE1 PHE A 34 -3.120 10.217 -3.595 1.00 72.24 C ATOM 533 CE2 PHE A 34 -1.769 12.189 -3.529 1.00 65.20 C ATOM 534 CZ PHE A 34 -2.982 11.577 -3.786 1.00 3.01 C ATOM 0 H PHE A 34 2.169 7.706 -1.876 1.00 34.23 H new ATOM 0 HA PHE A 34 0.265 7.785 -3.950 1.00 31.53 H new ATOM 0 HB2 PHE A 34 -0.013 8.595 -1.594 1.00 55.21 H new ATOM 0 HB3 PHE A 34 1.072 9.926 -1.944 1.00 55.21 H new ATOM 0 HD1 PHE A 34 -2.163 8.409 -2.991 1.00 62.32 H new ATOM 0 HD2 PHE A 34 0.244 11.922 -2.874 1.00 52.33 H new ATOM 0 HE1 PHE A 34 -4.065 9.736 -3.799 1.00 72.24 H new ATOM 0 HE2 PHE A 34 -1.657 13.252 -3.681 1.00 65.20 H new ATOM 0 HZ PHE A 34 -3.820 12.162 -4.136 1.00 3.01 H new ATOM 544 N ARG A 35 2.809 9.832 -4.265 1.00 70.30 N ATOM 545 CA ARG A 35 3.492 10.728 -5.186 1.00 14.10 C ATOM 546 C ARG A 35 3.954 9.989 -6.441 1.00 42.02 C ATOM 547 O ARG A 35 3.656 10.409 -7.561 1.00 61.43 O ATOM 548 CB ARG A 35 4.684 11.374 -4.482 1.00 13.02 C ATOM 549 CG ARG A 35 5.480 12.325 -5.354 1.00 41.31 C ATOM 550 CD ARG A 35 6.694 12.844 -4.609 1.00 43.31 C ATOM 551 NE ARG A 35 7.489 13.767 -5.413 1.00 44.40 N ATOM 552 CZ ARG A 35 8.808 13.896 -5.301 1.00 21.13 C ATOM 553 NH1 ARG A 35 9.490 13.094 -4.489 1.00 51.14 N ATOM 554 NH2 ARG A 35 9.446 14.819 -6.010 1.00 43.24 N ATOM 0 H ARG A 35 3.324 9.641 -3.406 1.00 70.30 H new ATOM 0 HA ARG A 35 2.790 11.502 -5.498 1.00 14.10 H new ATOM 0 HB2 ARG A 35 4.325 11.916 -3.607 1.00 13.02 H new ATOM 0 HB3 ARG A 35 5.348 10.588 -4.121 1.00 13.02 H new ATOM 0 HG2 ARG A 35 5.796 11.814 -6.264 1.00 41.31 H new ATOM 0 HG3 ARG A 35 4.850 13.160 -5.660 1.00 41.31 H new ATOM 0 HD2 ARG A 35 6.370 13.347 -3.698 1.00 43.31 H new ATOM 0 HD3 ARG A 35 7.317 12.003 -4.305 1.00 43.31 H new ATOM 0 HE ARG A 35 7.006 14.346 -6.100 1.00 44.40 H new ATOM 0 HH11 ARG A 35 9.002 12.378 -3.951 1.00 51.14 H new ATOM 0 HH12 ARG A 35 10.502 13.194 -4.404 1.00 51.14 H new ATOM 0 HH21 ARG A 35 8.925 15.429 -6.640 1.00 43.24 H new ATOM 0 HH22 ARG A 35 10.458 14.919 -5.925 1.00 43.24 H new ATOM 568 N ASP A 36 4.664 8.879 -6.256 1.00 45.25 N ATOM 569 CA ASP A 36 5.213 8.136 -7.388 1.00 32.33 C ATOM 570 C ASP A 36 4.096 7.492 -8.195 1.00 74.44 C ATOM 571 O ASP A 36 4.149 7.452 -9.428 1.00 15.31 O ATOM 572 CB ASP A 36 6.209 7.072 -6.916 1.00 70.22 C ATOM 573 CG ASP A 36 6.945 6.411 -8.070 1.00 21.04 C ATOM 574 OD1 ASP A 36 7.751 7.097 -8.739 1.00 62.03 O ATOM 575 OD2 ASP A 36 6.747 5.204 -8.302 1.00 53.21 O ATOM 0 H ASP A 36 4.872 8.477 -5.342 1.00 45.25 H new ATOM 0 HA ASP A 36 5.745 8.841 -8.027 1.00 32.33 H new ATOM 0 HB2 ASP A 36 6.933 7.530 -6.242 1.00 70.22 H new ATOM 0 HB3 ASP A 36 5.679 6.311 -6.344 1.00 70.22 H new ATOM 580 N ASP A 37 3.073 7.012 -7.497 1.00 55.52 N ATOM 581 CA ASP A 37 1.905 6.430 -8.146 1.00 74.33 C ATOM 582 C ASP A 37 1.173 7.455 -8.985 1.00 64.42 C ATOM 583 O ASP A 37 0.875 7.206 -10.137 1.00 40.35 O ATOM 584 CB ASP A 37 0.942 5.830 -7.127 1.00 54.54 C ATOM 585 CG ASP A 37 -0.449 5.670 -7.700 1.00 74.04 C ATOM 586 OD1 ASP A 37 -0.619 4.853 -8.629 1.00 4.14 O ATOM 587 OD2 ASP A 37 -1.362 6.394 -7.248 1.00 72.13 O ATOM 0 H ASP A 37 3.029 7.015 -6.478 1.00 55.52 H new ATOM 0 HA ASP A 37 2.270 5.635 -8.796 1.00 74.33 H new ATOM 0 HB2 ASP A 37 1.315 4.859 -6.801 1.00 54.54 H new ATOM 0 HB3 ASP A 37 0.901 6.469 -6.245 1.00 54.54 H new ATOM 592 N LYS A 38 0.897 8.613 -8.426 1.00 60.21 N ATOM 593 CA LYS A 38 0.159 9.630 -9.156 1.00 20.11 C ATOM 594 C LYS A 38 0.997 10.215 -10.289 1.00 45.54 C ATOM 595 O LYS A 38 0.475 10.894 -11.172 1.00 2.30 O ATOM 596 CB LYS A 38 -0.349 10.709 -8.203 1.00 61.22 C ATOM 597 CG LYS A 38 -1.545 10.233 -7.390 1.00 15.14 C ATOM 598 CD LYS A 38 -2.725 9.889 -8.292 1.00 43.22 C ATOM 599 CE LYS A 38 -3.833 9.183 -7.526 1.00 73.54 C ATOM 600 NZ LYS A 38 -3.557 7.731 -7.333 1.00 3.23 N ATOM 0 H LYS A 38 1.168 8.876 -7.478 1.00 60.21 H new ATOM 0 HA LYS A 38 -0.710 9.161 -9.617 1.00 20.11 H new ATOM 0 HB2 LYS A 38 0.454 11.004 -7.528 1.00 61.22 H new ATOM 0 HB3 LYS A 38 -0.628 11.595 -8.774 1.00 61.22 H new ATOM 0 HG2 LYS A 38 -1.264 9.357 -6.805 1.00 15.14 H new ATOM 0 HG3 LYS A 38 -1.839 11.009 -6.683 1.00 15.14 H new ATOM 0 HD2 LYS A 38 -3.118 10.801 -8.741 1.00 43.22 H new ATOM 0 HD3 LYS A 38 -2.385 9.252 -9.109 1.00 43.22 H new ATOM 0 HE2 LYS A 38 -3.958 9.658 -6.553 1.00 73.54 H new ATOM 0 HE3 LYS A 38 -4.774 9.303 -8.062 1.00 73.54 H new ATOM 0 HZ1 LYS A 38 -4.146 7.366 -6.558 1.00 3.23 H new ATOM 0 HZ2 LYS A 38 -3.779 7.216 -8.209 1.00 3.23 H new ATOM 0 HZ3 LYS A 38 -2.553 7.597 -7.098 1.00 3.23 H new ATOM 614 N SER A 39 2.295 9.947 -10.260 1.00 33.20 N ATOM 615 CA SER A 39 3.189 10.361 -11.330 1.00 54.20 C ATOM 616 C SER A 39 3.245 9.298 -12.441 1.00 34.35 C ATOM 617 O SER A 39 3.535 9.606 -13.597 1.00 63.51 O ATOM 618 CB SER A 39 4.588 10.621 -10.762 1.00 41.15 C ATOM 619 OG SER A 39 5.433 11.233 -11.719 1.00 61.52 O ATOM 0 H SER A 39 2.754 9.442 -9.502 1.00 33.20 H new ATOM 0 HA SER A 39 2.806 11.282 -11.769 1.00 54.20 H new ATOM 0 HB2 SER A 39 4.511 11.260 -9.882 1.00 41.15 H new ATOM 0 HB3 SER A 39 5.029 9.680 -10.435 1.00 41.15 H new ATOM 0 HG SER A 39 6.317 11.386 -11.324 1.00 61.52 H new ATOM 625 N ALA A 40 2.960 8.045 -12.086 1.00 74.14 N ATOM 626 CA ALA A 40 3.035 6.936 -13.041 1.00 43.21 C ATOM 627 C ALA A 40 1.647 6.454 -13.461 1.00 0.04 C ATOM 628 O ALA A 40 1.457 5.968 -14.575 1.00 62.44 O ATOM 629 CB ALA A 40 3.822 5.784 -12.435 1.00 22.41 C ATOM 0 H ALA A 40 2.675 7.771 -11.146 1.00 74.14 H new ATOM 0 HA ALA A 40 3.544 7.300 -13.934 1.00 43.21 H new ATOM 0 HB1 ALA A 40 3.874 4.963 -13.150 1.00 22.41 H new ATOM 0 HB2 ALA A 40 4.831 6.120 -12.194 1.00 22.41 H new ATOM 0 HB3 ALA A 40 3.326 5.443 -11.526 1.00 22.41 H new ATOM 635 N ASN A 41 0.701 6.587 -12.542 1.00 11.53 N ATOM 636 CA ASN A 41 -0.688 6.167 -12.726 1.00 32.24 C ATOM 637 C ASN A 41 -0.796 4.651 -12.760 1.00 52.33 C ATOM 638 O ASN A 41 -1.379 4.069 -13.675 1.00 52.01 O ATOM 639 CB ASN A 41 -1.313 6.803 -13.972 1.00 42.43 C ATOM 640 CG ASN A 41 -1.406 8.313 -13.852 1.00 44.51 C ATOM 641 OD1 ASN A 41 -1.425 8.811 -12.620 1.00 33.52 O flip ATOM 642 ND2 ASN A 41 -1.435 9.029 -14.852 1.00 22.32 N flip ATOM 0 H ASN A 41 0.878 6.999 -11.626 1.00 11.53 H new ATOM 0 HA ASN A 41 -1.257 6.524 -11.868 1.00 32.24 H new ATOM 0 HB2 ASN A 41 -0.718 6.545 -14.848 1.00 42.43 H new ATOM 0 HB3 ASN A 41 -2.309 6.390 -14.130 1.00 42.43 H new ATOM 0 HD21 ASN A 41 -1.419 8.608 -15.781 1.00 22.32 H new ATOM 0 HD22 ASN A 41 -1.475 10.043 -14.752 1.00 22.32 H new ATOM 649 N LEU A 42 -0.214 4.019 -11.748 1.00 74.25 N ATOM 650 CA LEU A 42 -0.296 2.576 -11.596 1.00 1.13 C ATOM 651 C LEU A 42 -1.612 2.199 -10.930 1.00 72.11 C ATOM 652 O LEU A 42 -2.341 1.326 -11.407 1.00 52.40 O ATOM 653 CB LEU A 42 0.888 2.063 -10.773 1.00 44.31 C ATOM 654 CG LEU A 42 2.265 2.495 -11.287 1.00 32.31 C ATOM 655 CD1 LEU A 42 3.368 1.913 -10.421 1.00 62.01 C ATOM 656 CD2 LEU A 42 2.456 2.089 -12.739 1.00 1.30 C ATOM 0 H LEU A 42 0.322 4.488 -11.018 1.00 74.25 H new ATOM 0 HA LEU A 42 -0.257 2.112 -12.581 1.00 1.13 H new ATOM 0 HB2 LEU A 42 0.775 2.409 -9.746 1.00 44.31 H new ATOM 0 HB3 LEU A 42 0.850 0.974 -10.749 1.00 44.31 H new ATOM 0 HG LEU A 42 2.319 3.582 -11.229 1.00 32.31 H new ATOM 0 HD11 LEU A 42 4.338 2.232 -10.803 1.00 62.01 H new ATOM 0 HD12 LEU A 42 3.249 2.264 -9.396 1.00 62.01 H new ATOM 0 HD13 LEU A 42 3.310 0.825 -10.441 1.00 62.01 H new ATOM 0 HD21 LEU A 42 3.441 2.407 -13.079 1.00 1.30 H new ATOM 0 HD22 LEU A 42 2.374 1.006 -12.828 1.00 1.30 H new ATOM 0 HD23 LEU A 42 1.690 2.562 -13.353 1.00 1.30 H new ATOM 668 N PHE A 43 -1.917 2.884 -9.833 1.00 35.30 N ATOM 669 CA PHE A 43 -3.156 2.676 -9.106 1.00 44.15 C ATOM 670 C PHE A 43 -3.967 3.962 -9.116 1.00 3.24 C ATOM 671 O PHE A 43 -3.699 4.872 -8.327 1.00 62.10 O ATOM 672 CB PHE A 43 -2.886 2.291 -7.646 1.00 51.43 C ATOM 673 CG PHE A 43 -1.698 1.395 -7.425 1.00 73.42 C ATOM 674 CD1 PHE A 43 -1.835 0.018 -7.441 1.00 65.13 C ATOM 675 CD2 PHE A 43 -0.449 1.935 -7.163 1.00 74.10 C ATOM 676 CE1 PHE A 43 -0.750 -0.804 -7.203 1.00 21.04 C ATOM 677 CE2 PHE A 43 0.640 1.119 -6.933 1.00 3.52 C ATOM 678 CZ PHE A 43 0.488 -0.252 -6.949 1.00 52.24 C ATOM 0 H PHE A 43 -1.311 3.597 -9.427 1.00 35.30 H new ATOM 0 HA PHE A 43 -3.700 1.867 -9.593 1.00 44.15 H new ATOM 0 HB2 PHE A 43 -2.744 3.204 -7.067 1.00 51.43 H new ATOM 0 HB3 PHE A 43 -3.772 1.796 -7.248 1.00 51.43 H new ATOM 0 HD1 PHE A 43 -2.802 -0.420 -7.642 1.00 65.13 H new ATOM 0 HD2 PHE A 43 -0.326 3.008 -7.138 1.00 74.10 H new ATOM 0 HE1 PHE A 43 -0.871 -1.877 -7.216 1.00 21.04 H new ATOM 0 HE2 PHE A 43 1.610 1.553 -6.741 1.00 3.52 H new ATOM 0 HZ PHE A 43 1.338 -0.892 -6.763 1.00 52.24 H new ATOM 688 N GLU A 44 -4.934 4.063 -10.016 1.00 63.41 N ATOM 689 CA GLU A 44 -5.806 5.230 -10.044 1.00 0.20 C ATOM 690 C GLU A 44 -6.450 5.418 -8.673 1.00 23.35 C ATOM 691 O GLU A 44 -6.459 6.519 -8.120 1.00 14.01 O ATOM 692 CB GLU A 44 -6.879 5.085 -11.122 1.00 2.22 C ATOM 693 CG GLU A 44 -7.688 6.354 -11.327 1.00 15.15 C ATOM 694 CD GLU A 44 -8.763 6.206 -12.377 1.00 0.33 C ATOM 695 OE1 GLU A 44 -8.448 6.334 -13.580 1.00 73.51 O ATOM 696 OE2 GLU A 44 -9.933 5.986 -12.006 1.00 4.31 O ATOM 0 H GLU A 44 -5.134 3.361 -10.729 1.00 63.41 H new ATOM 0 HA GLU A 44 -5.208 6.109 -10.285 1.00 0.20 H new ATOM 0 HB2 GLU A 44 -6.405 4.806 -12.063 1.00 2.22 H new ATOM 0 HB3 GLU A 44 -7.552 4.271 -10.850 1.00 2.22 H new ATOM 0 HG2 GLU A 44 -8.148 6.641 -10.382 1.00 15.15 H new ATOM 0 HG3 GLU A 44 -7.017 7.164 -11.614 1.00 15.15 H new ATOM 703 N ALA A 45 -6.958 4.327 -8.117 1.00 50.34 N ATOM 704 CA ALA A 45 -7.488 4.341 -6.767 1.00 50.34 C ATOM 705 C ALA A 45 -6.551 3.588 -5.829 1.00 55.04 C ATOM 706 O ALA A 45 -6.732 2.395 -5.564 1.00 70.12 O ATOM 707 CB ALA A 45 -8.886 3.744 -6.732 1.00 11.33 C ATOM 0 H ALA A 45 -7.013 3.421 -8.583 1.00 50.34 H new ATOM 0 HA ALA A 45 -7.558 5.375 -6.429 1.00 50.34 H new ATOM 0 HB1 ALA A 45 -9.265 3.764 -5.710 1.00 11.33 H new ATOM 0 HB2 ALA A 45 -9.546 4.326 -7.375 1.00 11.33 H new ATOM 0 HB3 ALA A 45 -8.851 2.714 -7.085 1.00 11.33 H new ATOM 713 N LEU A 46 -5.530 4.288 -5.346 1.00 61.43 N ATOM 714 CA LEU A 46 -4.549 3.693 -4.448 1.00 13.11 C ATOM 715 C LEU A 46 -5.208 3.290 -3.134 1.00 1.15 C ATOM 716 O LEU A 46 -4.924 2.224 -2.586 1.00 71.12 O ATOM 717 CB LEU A 46 -3.399 4.676 -4.193 1.00 43.11 C ATOM 718 CG LEU A 46 -2.288 4.164 -3.270 1.00 20.10 C ATOM 719 CD1 LEU A 46 -1.613 2.937 -3.864 1.00 0.14 C ATOM 720 CD2 LEU A 46 -1.267 5.262 -3.011 1.00 1.33 C ATOM 0 H LEU A 46 -5.361 5.270 -5.563 1.00 61.43 H new ATOM 0 HA LEU A 46 -4.143 2.797 -4.918 1.00 13.11 H new ATOM 0 HB2 LEU A 46 -2.956 4.946 -5.151 1.00 43.11 H new ATOM 0 HB3 LEU A 46 -3.812 5.589 -3.764 1.00 43.11 H new ATOM 0 HG LEU A 46 -2.738 3.876 -2.320 1.00 20.10 H new ATOM 0 HD11 LEU A 46 -0.828 2.592 -3.191 1.00 0.14 H new ATOM 0 HD12 LEU A 46 -2.350 2.145 -3.998 1.00 0.14 H new ATOM 0 HD13 LEU A 46 -1.176 3.193 -4.829 1.00 0.14 H new ATOM 0 HD21 LEU A 46 -0.484 4.883 -2.354 1.00 1.33 H new ATOM 0 HD22 LEU A 46 -0.826 5.579 -3.956 1.00 1.33 H new ATOM 0 HD23 LEU A 46 -1.759 6.112 -2.537 1.00 1.33 H new ATOM 732 N VAL A 47 -6.115 4.138 -2.658 1.00 60.51 N ATOM 733 CA VAL A 47 -6.815 3.895 -1.407 1.00 71.11 C ATOM 734 C VAL A 47 -7.670 2.632 -1.505 1.00 52.02 C ATOM 735 O VAL A 47 -7.719 1.839 -0.569 1.00 20.12 O ATOM 736 CB VAL A 47 -7.703 5.098 -1.011 1.00 63.04 C ATOM 737 CG1 VAL A 47 -8.383 4.849 0.329 1.00 12.30 C ATOM 738 CG2 VAL A 47 -6.880 6.378 -0.962 1.00 15.42 C ATOM 0 H VAL A 47 -6.382 5.004 -3.126 1.00 60.51 H new ATOM 0 HA VAL A 47 -6.060 3.758 -0.633 1.00 71.11 H new ATOM 0 HB VAL A 47 -8.476 5.214 -1.770 1.00 63.04 H new ATOM 0 HG11 VAL A 47 -9.002 5.708 0.588 1.00 12.30 H new ATOM 0 HG12 VAL A 47 -9.008 3.959 0.260 1.00 12.30 H new ATOM 0 HG13 VAL A 47 -7.626 4.702 1.099 1.00 12.30 H new ATOM 0 HG21 VAL A 47 -7.522 7.213 -0.682 1.00 15.42 H new ATOM 0 HG22 VAL A 47 -6.083 6.270 -0.226 1.00 15.42 H new ATOM 0 HG23 VAL A 47 -6.445 6.568 -1.943 1.00 15.42 H new ATOM 748 N GLY A 48 -8.313 2.440 -2.655 1.00 20.12 N ATOM 749 CA GLY A 48 -9.152 1.268 -2.852 1.00 4.13 C ATOM 750 C GLY A 48 -8.366 -0.024 -2.738 1.00 52.22 C ATOM 751 O GLY A 48 -8.770 -0.943 -2.024 1.00 3.32 O ATOM 0 H GLY A 48 -8.268 3.074 -3.453 1.00 20.12 H new ATOM 0 HA2 GLY A 48 -9.955 1.269 -2.114 1.00 4.13 H new ATOM 0 HA3 GLY A 48 -9.622 1.320 -3.834 1.00 4.13 H new ATOM 755 N THR A 49 -7.235 -0.081 -3.430 1.00 35.44 N ATOM 756 CA THR A 49 -6.330 -1.221 -3.342 1.00 24.13 C ATOM 757 C THR A 49 -5.857 -1.433 -1.899 1.00 53.41 C ATOM 758 O THR A 49 -5.739 -2.567 -1.430 1.00 65.32 O ATOM 759 CB THR A 49 -5.112 -1.012 -4.261 1.00 42.12 C ATOM 760 OG1 THR A 49 -5.550 -0.490 -5.522 1.00 11.53 O ATOM 761 CG2 THR A 49 -4.365 -2.319 -4.490 1.00 51.14 C ATOM 0 H THR A 49 -6.921 0.655 -4.063 1.00 35.44 H new ATOM 0 HA THR A 49 -6.875 -2.108 -3.665 1.00 24.13 H new ATOM 0 HB THR A 49 -4.435 -0.308 -3.777 1.00 42.12 H new ATOM 0 HG1 THR A 49 -4.775 -0.355 -6.107 1.00 11.53 H new ATOM 0 HG21 THR A 49 -3.510 -2.140 -5.142 1.00 51.14 H new ATOM 0 HG22 THR A 49 -4.016 -2.711 -3.535 1.00 51.14 H new ATOM 0 HG23 THR A 49 -5.033 -3.043 -4.957 1.00 51.14 H new ATOM 769 N LEU A 50 -5.605 -0.329 -1.197 1.00 34.52 N ATOM 770 CA LEU A 50 -5.184 -0.385 0.200 1.00 72.11 C ATOM 771 C LEU A 50 -6.280 -0.965 1.085 1.00 14.15 C ATOM 772 O LEU A 50 -6.009 -1.803 1.940 1.00 54.53 O ATOM 773 CB LEU A 50 -4.801 1.005 0.712 1.00 21.20 C ATOM 774 CG LEU A 50 -3.521 1.589 0.120 1.00 61.31 C ATOM 775 CD1 LEU A 50 -3.326 3.018 0.591 1.00 75.32 C ATOM 776 CD2 LEU A 50 -2.317 0.739 0.502 1.00 3.31 C ATOM 0 H LEU A 50 -5.685 0.615 -1.574 1.00 34.52 H new ATOM 0 HA LEU A 50 -4.312 -1.037 0.247 1.00 72.11 H new ATOM 0 HB2 LEU A 50 -5.623 1.690 0.504 1.00 21.20 H new ATOM 0 HB3 LEU A 50 -4.692 0.958 1.795 1.00 21.20 H new ATOM 0 HG LEU A 50 -3.613 1.588 -0.966 1.00 61.31 H new ATOM 0 HD11 LEU A 50 -2.409 3.421 0.161 1.00 75.32 H new ATOM 0 HD12 LEU A 50 -4.174 3.625 0.273 1.00 75.32 H new ATOM 0 HD13 LEU A 50 -3.255 3.036 1.679 1.00 75.32 H new ATOM 0 HD21 LEU A 50 -1.414 1.172 0.070 1.00 3.31 H new ATOM 0 HD22 LEU A 50 -2.222 0.710 1.587 1.00 3.31 H new ATOM 0 HD23 LEU A 50 -2.451 -0.274 0.122 1.00 3.31 H new ATOM 788 N LYS A 51 -7.516 -0.519 0.878 1.00 3.03 N ATOM 789 CA LYS A 51 -8.641 -1.001 1.674 1.00 21.23 C ATOM 790 C LYS A 51 -8.851 -2.492 1.449 1.00 61.23 C ATOM 791 O LYS A 51 -9.138 -3.233 2.388 1.00 42.32 O ATOM 792 CB LYS A 51 -9.928 -0.236 1.344 1.00 11.30 C ATOM 793 CG LYS A 51 -9.818 1.271 1.530 1.00 2.33 C ATOM 794 CD LYS A 51 -9.235 1.638 2.886 1.00 65.33 C ATOM 795 CE LYS A 51 -10.158 1.258 4.030 1.00 23.31 C ATOM 796 NZ LYS A 51 -11.409 2.056 4.027 1.00 73.13 N ATOM 0 H LYS A 51 -7.763 0.172 0.170 1.00 3.03 H new ATOM 0 HA LYS A 51 -8.402 -0.827 2.723 1.00 21.23 H new ATOM 0 HB2 LYS A 51 -10.208 -0.445 0.311 1.00 11.30 H new ATOM 0 HB3 LYS A 51 -10.734 -0.612 1.975 1.00 11.30 H new ATOM 0 HG2 LYS A 51 -9.192 1.689 0.741 1.00 2.33 H new ATOM 0 HG3 LYS A 51 -10.805 1.722 1.426 1.00 2.33 H new ATOM 0 HD2 LYS A 51 -8.275 1.137 3.014 1.00 65.33 H new ATOM 0 HD3 LYS A 51 -9.042 2.710 2.918 1.00 65.33 H new ATOM 0 HE2 LYS A 51 -10.404 0.199 3.960 1.00 23.31 H new ATOM 0 HE3 LYS A 51 -9.639 1.402 4.977 1.00 23.31 H new ATOM 0 HZ1 LYS A 51 -11.922 1.901 4.918 1.00 73.13 H new ATOM 0 HZ2 LYS A 51 -11.177 3.065 3.932 1.00 73.13 H new ATOM 0 HZ3 LYS A 51 -12.007 1.762 3.228 1.00 73.13 H new ATOM 810 N ALA A 52 -8.693 -2.921 0.202 1.00 23.31 N ATOM 811 CA ALA A 52 -8.783 -4.334 -0.145 1.00 50.44 C ATOM 812 C ALA A 52 -7.804 -5.151 0.687 1.00 62.22 C ATOM 813 O ALA A 52 -8.175 -6.128 1.339 1.00 53.21 O ATOM 814 CB ALA A 52 -8.492 -4.534 -1.627 1.00 54.00 C ATOM 0 H ALA A 52 -8.501 -2.307 -0.589 1.00 23.31 H new ATOM 0 HA ALA A 52 -9.796 -4.675 0.068 1.00 50.44 H new ATOM 0 HB1 ALA A 52 -8.563 -5.594 -1.872 1.00 54.00 H new ATOM 0 HB2 ALA A 52 -9.217 -3.976 -2.219 1.00 54.00 H new ATOM 0 HB3 ALA A 52 -7.487 -4.176 -1.852 1.00 54.00 H new ATOM 820 N ALA A 53 -6.553 -4.720 0.679 1.00 34.12 N ATOM 821 CA ALA A 53 -5.495 -5.428 1.375 1.00 41.02 C ATOM 822 C ALA A 53 -5.595 -5.243 2.887 1.00 21.42 C ATOM 823 O ALA A 53 -5.171 -6.106 3.645 1.00 64.14 O ATOM 824 CB ALA A 53 -4.137 -4.973 0.863 1.00 1.15 C ATOM 0 H ALA A 53 -6.246 -3.877 0.194 1.00 34.12 H new ATOM 0 HA ALA A 53 -5.610 -6.493 1.171 1.00 41.02 H new ATOM 0 HB1 ALA A 53 -3.350 -5.511 1.392 1.00 1.15 H new ATOM 0 HB2 ALA A 53 -4.063 -5.179 -0.205 1.00 1.15 H new ATOM 0 HB3 ALA A 53 -4.024 -3.903 1.034 1.00 1.15 H new ATOM 830 N LYS A 54 -6.162 -4.126 3.326 1.00 33.33 N ATOM 831 CA LYS A 54 -6.308 -3.864 4.756 1.00 52.00 C ATOM 832 C LYS A 54 -7.389 -4.765 5.350 1.00 35.13 C ATOM 833 O LYS A 54 -7.284 -5.207 6.495 1.00 42.14 O ATOM 834 CB LYS A 54 -6.640 -2.388 5.013 1.00 45.13 C ATOM 835 CG LYS A 54 -6.483 -1.976 6.470 1.00 54.10 C ATOM 836 CD LYS A 54 -6.903 -0.533 6.696 1.00 21.41 C ATOM 837 CE LYS A 54 -6.586 -0.061 8.109 1.00 14.41 C ATOM 838 NZ LYS A 54 -7.337 -0.818 9.148 1.00 74.14 N ATOM 0 H LYS A 54 -6.526 -3.391 2.720 1.00 33.33 H new ATOM 0 HA LYS A 54 -5.358 -4.086 5.243 1.00 52.00 H new ATOM 0 HB2 LYS A 54 -5.993 -1.765 4.396 1.00 45.13 H new ATOM 0 HB3 LYS A 54 -7.665 -2.194 4.697 1.00 45.13 H new ATOM 0 HG2 LYS A 54 -7.083 -2.632 7.100 1.00 54.10 H new ATOM 0 HG3 LYS A 54 -5.444 -2.104 6.774 1.00 54.10 H new ATOM 0 HD2 LYS A 54 -6.395 0.109 5.977 1.00 21.41 H new ATOM 0 HD3 LYS A 54 -7.973 -0.434 6.512 1.00 21.41 H new ATOM 0 HE2 LYS A 54 -5.516 -0.165 8.291 1.00 14.41 H new ATOM 0 HE3 LYS A 54 -6.823 0.999 8.195 1.00 14.41 H new ATOM 0 HZ1 LYS A 54 -7.111 -0.435 10.088 1.00 74.14 H new ATOM 0 HZ2 LYS A 54 -8.358 -0.727 8.974 1.00 74.14 H new ATOM 0 HZ3 LYS A 54 -7.067 -1.822 9.109 1.00 74.14 H new ATOM 852 N ARG A 55 -8.421 -5.046 4.558 1.00 24.02 N ATOM 853 CA ARG A 55 -9.489 -5.942 4.984 1.00 40.43 C ATOM 854 C ARG A 55 -9.018 -7.387 4.944 1.00 3.11 C ATOM 855 O ARG A 55 -9.507 -8.232 5.692 1.00 71.45 O ATOM 856 CB ARG A 55 -10.731 -5.770 4.107 1.00 51.12 C ATOM 857 CG ARG A 55 -11.368 -4.396 4.225 1.00 73.01 C ATOM 858 CD ARG A 55 -11.787 -4.096 5.654 1.00 5.12 C ATOM 859 NE ARG A 55 -12.281 -2.731 5.800 1.00 50.02 N ATOM 860 CZ ARG A 55 -12.466 -2.126 6.971 1.00 53.02 C ATOM 861 NH1 ARG A 55 -12.234 -2.775 8.106 1.00 23.34 N ATOM 862 NH2 ARG A 55 -12.888 -0.873 7.003 1.00 53.14 N ATOM 0 H ARG A 55 -8.539 -4.666 3.619 1.00 24.02 H new ATOM 0 HA ARG A 55 -9.754 -5.685 6.010 1.00 40.43 H new ATOM 0 HB2 ARG A 55 -10.459 -5.948 3.067 1.00 51.12 H new ATOM 0 HB3 ARG A 55 -11.466 -6.528 4.379 1.00 51.12 H new ATOM 0 HG2 ARG A 55 -10.664 -3.637 3.885 1.00 73.01 H new ATOM 0 HG3 ARG A 55 -12.238 -4.340 3.571 1.00 73.01 H new ATOM 0 HD2 ARG A 55 -12.563 -4.798 5.960 1.00 5.12 H new ATOM 0 HD3 ARG A 55 -10.938 -4.248 6.321 1.00 5.12 H new ATOM 0 HE ARG A 55 -12.498 -2.208 4.952 1.00 50.02 H new ATOM 0 HH11 ARG A 55 -11.912 -3.743 8.084 1.00 23.34 H new ATOM 0 HH12 ARG A 55 -12.378 -2.306 9.000 1.00 23.34 H new ATOM 0 HH21 ARG A 55 -13.070 -0.374 6.132 1.00 53.14 H new ATOM 0 HH22 ARG A 55 -13.031 -0.406 7.898 1.00 53.14 H new ATOM 876 N ARG A 56 -8.061 -7.668 4.070 1.00 53.22 N ATOM 877 CA ARG A 56 -7.473 -8.998 3.998 1.00 21.32 C ATOM 878 C ARG A 56 -6.284 -9.105 4.946 1.00 21.33 C ATOM 879 O ARG A 56 -5.631 -10.146 5.024 1.00 1.30 O ATOM 880 CB ARG A 56 -7.032 -9.325 2.572 1.00 52.41 C ATOM 881 CG ARG A 56 -8.165 -9.311 1.561 1.00 75.31 C ATOM 882 CD ARG A 56 -7.682 -9.734 0.186 1.00 34.25 C ATOM 883 NE ARG A 56 -8.723 -9.560 -0.832 1.00 42.14 N ATOM 884 CZ ARG A 56 -8.716 -10.153 -2.029 1.00 53.14 C ATOM 885 NH1 ARG A 56 -7.732 -10.978 -2.366 1.00 65.23 N ATOM 886 NH2 ARG A 56 -9.695 -9.926 -2.896 1.00 64.22 N ATOM 0 H ARG A 56 -7.677 -6.997 3.405 1.00 53.22 H new ATOM 0 HA ARG A 56 -8.234 -9.718 4.298 1.00 21.32 H new ATOM 0 HB2 ARG A 56 -6.273 -8.607 2.263 1.00 52.41 H new ATOM 0 HB3 ARG A 56 -6.562 -10.309 2.564 1.00 52.41 H new ATOM 0 HG2 ARG A 56 -8.959 -9.981 1.892 1.00 75.31 H new ATOM 0 HG3 ARG A 56 -8.594 -8.311 1.506 1.00 75.31 H new ATOM 0 HD2 ARG A 56 -6.804 -9.148 -0.087 1.00 34.25 H new ATOM 0 HD3 ARG A 56 -7.372 -10.779 0.215 1.00 34.25 H new ATOM 0 HE ARG A 56 -9.506 -8.944 -0.611 1.00 42.14 H new ATOM 0 HH11 ARG A 56 -6.974 -11.163 -1.709 1.00 65.23 H new ATOM 0 HH12 ARG A 56 -7.734 -11.427 -3.282 1.00 65.23 H new ATOM 0 HH21 ARG A 56 -10.458 -9.296 -2.650 1.00 64.22 H new ATOM 0 HH22 ARG A 56 -9.684 -10.382 -3.808 1.00 64.22 H new ATOM 900 N LYS A 57 -6.031 -8.015 5.674 1.00 22.05 N ATOM 901 CA LYS A 57 -4.905 -7.913 6.595 1.00 45.11 C ATOM 902 C LYS A 57 -3.589 -8.290 5.927 1.00 63.23 C ATOM 903 O LYS A 57 -2.708 -8.897 6.532 1.00 22.21 O ATOM 904 CB LYS A 57 -5.190 -8.749 7.832 1.00 41.34 C ATOM 905 CG LYS A 57 -6.359 -8.184 8.610 1.00 71.04 C ATOM 906 CD LYS A 57 -6.896 -9.151 9.633 1.00 31.34 C ATOM 907 CE LYS A 57 -7.499 -10.384 8.983 1.00 5.40 C ATOM 908 NZ LYS A 57 -8.288 -11.182 9.955 1.00 62.13 N ATOM 0 H LYS A 57 -6.608 -7.174 5.638 1.00 22.05 H new ATOM 0 HA LYS A 57 -4.790 -6.873 6.902 1.00 45.11 H new ATOM 0 HB2 LYS A 57 -5.406 -9.777 7.539 1.00 41.34 H new ATOM 0 HB3 LYS A 57 -4.305 -8.778 8.468 1.00 41.34 H new ATOM 0 HG2 LYS A 57 -6.048 -7.267 9.110 1.00 71.04 H new ATOM 0 HG3 LYS A 57 -7.156 -7.915 7.917 1.00 71.04 H new ATOM 0 HD2 LYS A 57 -6.093 -9.451 10.306 1.00 31.34 H new ATOM 0 HD3 LYS A 57 -7.652 -8.654 10.241 1.00 31.34 H new ATOM 0 HE2 LYS A 57 -8.139 -10.083 8.154 1.00 5.40 H new ATOM 0 HE3 LYS A 57 -6.704 -11.001 8.564 1.00 5.40 H new ATOM 0 HZ1 LYS A 57 -8.685 -12.016 9.478 1.00 62.13 H new ATOM 0 HZ2 LYS A 57 -7.671 -11.490 10.734 1.00 62.13 H new ATOM 0 HZ3 LYS A 57 -9.061 -10.600 10.335 1.00 62.13 H new ATOM 922 N ILE A 58 -3.476 -7.904 4.668 1.00 25.23 N ATOM 923 CA ILE A 58 -2.237 -8.018 3.932 1.00 11.03 C ATOM 924 C ILE A 58 -1.366 -6.825 4.273 1.00 51.21 C ATOM 925 O ILE A 58 -0.153 -6.937 4.412 1.00 41.10 O ATOM 926 CB ILE A 58 -2.495 -8.060 2.410 1.00 42.44 C ATOM 927 CG1 ILE A 58 -3.462 -9.196 2.076 1.00 55.41 C ATOM 928 CG2 ILE A 58 -1.187 -8.221 1.643 1.00 63.40 C ATOM 929 CD1 ILE A 58 -4.007 -9.133 0.667 1.00 31.12 C ATOM 0 H ILE A 58 -4.244 -7.503 4.130 1.00 25.23 H new ATOM 0 HA ILE A 58 -1.739 -8.947 4.211 1.00 11.03 H new ATOM 0 HB ILE A 58 -2.946 -7.115 2.106 1.00 42.44 H new ATOM 0 HG12 ILE A 58 -2.952 -10.149 2.217 1.00 55.41 H new ATOM 0 HG13 ILE A 58 -4.294 -9.172 2.780 1.00 55.41 H new ATOM 0 HG21 ILE A 58 -1.394 -8.248 0.573 1.00 63.40 H new ATOM 0 HG22 ILE A 58 -0.530 -7.380 1.864 1.00 63.40 H new ATOM 0 HG23 ILE A 58 -0.702 -9.150 1.942 1.00 63.40 H new ATOM 0 HD11 ILE A 58 -4.686 -9.970 0.502 1.00 31.12 H new ATOM 0 HD12 ILE A 58 -4.546 -8.196 0.527 1.00 31.12 H new ATOM 0 HD13 ILE A 58 -3.183 -9.188 -0.045 1.00 31.12 H new ATOM 941 N VAL A 59 -2.017 -5.683 4.432 1.00 40.14 N ATOM 942 CA VAL A 59 -1.348 -4.463 4.847 1.00 64.42 C ATOM 943 C VAL A 59 -2.123 -3.818 5.986 1.00 40.21 C ATOM 944 O VAL A 59 -3.301 -4.120 6.192 1.00 33.42 O ATOM 945 CB VAL A 59 -1.220 -3.443 3.692 1.00 73.52 C ATOM 946 CG1 VAL A 59 -0.436 -4.022 2.524 1.00 23.13 C ATOM 947 CG2 VAL A 59 -2.595 -2.982 3.238 1.00 62.50 C ATOM 0 H VAL A 59 -3.020 -5.577 4.277 1.00 40.14 H new ATOM 0 HA VAL A 59 -0.344 -4.739 5.168 1.00 64.42 H new ATOM 0 HB VAL A 59 -0.668 -2.581 4.066 1.00 73.52 H new ATOM 0 HG11 VAL A 59 -0.365 -3.279 1.730 1.00 23.13 H new ATOM 0 HG12 VAL A 59 0.566 -4.294 2.857 1.00 23.13 H new ATOM 0 HG13 VAL A 59 -0.946 -4.908 2.147 1.00 23.13 H new ATOM 0 HG21 VAL A 59 -2.488 -2.264 2.425 1.00 62.50 H new ATOM 0 HG22 VAL A 59 -3.170 -3.840 2.891 1.00 62.50 H new ATOM 0 HG23 VAL A 59 -3.114 -2.510 4.072 1.00 62.50 H new ATOM 957 N THR A 60 -1.468 -2.943 6.724 1.00 34.44 N ATOM 958 CA THR A 60 -2.125 -2.208 7.782 1.00 30.34 C ATOM 959 C THR A 60 -1.547 -0.803 7.886 1.00 33.11 C ATOM 960 O THR A 60 -0.366 -0.581 7.610 1.00 71.21 O ATOM 961 CB THR A 60 -1.996 -2.929 9.145 1.00 42.15 C ATOM 962 OG1 THR A 60 -2.799 -2.269 10.134 1.00 74.43 O ATOM 963 CG2 THR A 60 -0.548 -2.972 9.614 1.00 12.21 C ATOM 0 H THR A 60 -0.478 -2.725 6.608 1.00 34.44 H new ATOM 0 HA THR A 60 -3.184 -2.148 7.531 1.00 30.34 H new ATOM 0 HB THR A 60 -2.347 -3.952 9.012 1.00 42.15 H new ATOM 0 HG1 THR A 60 -2.711 -2.735 10.991 1.00 74.43 H new ATOM 0 HG21 THR A 60 -0.492 -3.485 10.574 1.00 12.21 H new ATOM 0 HG22 THR A 60 0.056 -3.507 8.881 1.00 12.21 H new ATOM 0 HG23 THR A 60 -0.171 -1.955 9.723 1.00 12.21 H new ATOM 971 N TYR A 61 -2.394 0.137 8.260 1.00 64.11 N ATOM 972 CA TYR A 61 -1.990 1.515 8.465 1.00 63.21 C ATOM 973 C TYR A 61 -3.039 2.207 9.328 1.00 35.25 C ATOM 974 O TYR A 61 -4.187 1.759 9.379 1.00 5.23 O ATOM 975 CB TYR A 61 -1.800 2.238 7.118 1.00 50.33 C ATOM 976 CG TYR A 61 -3.058 2.392 6.288 1.00 12.21 C ATOM 977 CD1 TYR A 61 -3.652 1.299 5.667 1.00 41.01 C ATOM 978 CD2 TYR A 61 -3.643 3.638 6.122 1.00 33.30 C ATOM 979 CE1 TYR A 61 -4.796 1.447 4.906 1.00 32.12 C ATOM 980 CE2 TYR A 61 -4.788 3.795 5.363 1.00 11.32 C ATOM 981 CZ TYR A 61 -5.361 2.696 4.760 1.00 2.13 C ATOM 982 OH TYR A 61 -6.506 2.842 4.007 1.00 44.34 O ATOM 0 H TYR A 61 -3.385 -0.034 8.431 1.00 64.11 H new ATOM 0 HA TYR A 61 -1.029 1.545 8.978 1.00 63.21 H new ATOM 0 HB2 TYR A 61 -1.387 3.228 7.310 1.00 50.33 H new ATOM 0 HB3 TYR A 61 -1.061 1.692 6.531 1.00 50.33 H new ATOM 0 HD1 TYR A 61 -3.213 0.319 5.781 1.00 41.01 H new ATOM 0 HD2 TYR A 61 -3.197 4.501 6.594 1.00 33.30 H new ATOM 0 HE1 TYR A 61 -5.245 0.589 4.428 1.00 32.12 H new ATOM 0 HE2 TYR A 61 -5.231 4.773 5.243 1.00 11.32 H new ATOM 0 HH TYR A 61 -6.778 3.784 4.004 1.00 44.34 H new ATOM 992 N PRO A 62 -2.660 3.279 10.042 1.00 4.02 N ATOM 993 CA PRO A 62 -3.564 3.961 10.973 1.00 1.24 C ATOM 994 C PRO A 62 -4.782 4.578 10.287 1.00 24.24 C ATOM 995 O PRO A 62 -4.674 5.179 9.216 1.00 54.52 O ATOM 996 CB PRO A 62 -2.691 5.066 11.586 1.00 20.32 C ATOM 997 CG PRO A 62 -1.285 4.670 11.295 1.00 64.54 C ATOM 998 CD PRO A 62 -1.332 3.906 10.006 1.00 34.14 C ATOM 0 HA PRO A 62 -3.976 3.262 11.701 1.00 1.24 H new ATOM 0 HB2 PRO A 62 -2.923 6.037 11.149 1.00 20.32 H new ATOM 0 HB3 PRO A 62 -2.861 5.150 12.659 1.00 20.32 H new ATOM 0 HG2 PRO A 62 -0.643 5.546 11.207 1.00 64.54 H new ATOM 0 HG3 PRO A 62 -0.878 4.056 12.098 1.00 64.54 H new ATOM 0 HD2 PRO A 62 -1.219 4.563 9.143 1.00 34.14 H new ATOM 0 HD3 PRO A 62 -0.536 3.163 9.948 1.00 34.14 H new ATOM 1125 N HIS A 71 -0.141 12.306 5.479 1.00 42.42 N ATOM 1126 CA HIS A 71 -0.006 11.157 4.574 1.00 34.43 C ATOM 1127 C HIS A 71 1.438 10.686 4.461 1.00 64.21 C ATOM 1128 O HIS A 71 1.711 9.490 4.498 1.00 30.31 O ATOM 1129 CB HIS A 71 -0.469 11.497 3.155 1.00 5.24 C ATOM 1130 CG HIS A 71 -1.914 11.844 3.000 1.00 75.32 C ATOM 1131 ND1 HIS A 71 -2.341 13.051 2.494 1.00 62.34 N ATOM 1132 CD2 HIS A 71 -3.026 11.110 3.202 1.00 20.11 C ATOM 1133 CE1 HIS A 71 -3.655 13.041 2.390 1.00 50.52 C ATOM 1134 NE2 HIS A 71 -4.098 11.874 2.813 1.00 61.44 N ATOM 0 HA HIS A 71 -0.629 10.375 5.007 1.00 34.43 H new ATOM 0 HB2 HIS A 71 0.126 12.335 2.792 1.00 5.24 H new ATOM 0 HB3 HIS A 71 -0.249 10.647 2.510 1.00 5.24 H new ATOM 0 HD2 HIS A 71 -3.066 10.106 3.597 1.00 20.11 H new ATOM 0 HE1 HIS A 71 -4.265 13.852 2.021 1.00 50.52 H new ATOM 0 HE2 HIS A 71 -5.076 11.586 2.846 1.00 61.44 H new ATOM 1143 N ASP A 72 2.350 11.632 4.325 1.00 21.34 N ATOM 1144 CA ASP A 72 3.729 11.331 3.955 1.00 45.10 C ATOM 1145 C ASP A 72 4.427 10.416 4.951 1.00 61.45 C ATOM 1146 O ASP A 72 5.179 9.527 4.556 1.00 14.22 O ATOM 1147 CB ASP A 72 4.523 12.627 3.790 1.00 32.32 C ATOM 1148 CG ASP A 72 6.007 12.385 3.596 1.00 53.40 C ATOM 1149 OD1 ASP A 72 6.402 11.913 2.509 1.00 75.12 O ATOM 1150 OD2 ASP A 72 6.787 12.671 4.529 1.00 13.00 O ATOM 0 H ASP A 72 2.162 12.625 4.466 1.00 21.34 H new ATOM 0 HA ASP A 72 3.690 10.794 3.007 1.00 45.10 H new ATOM 0 HB2 ASP A 72 4.135 13.180 2.934 1.00 32.32 H new ATOM 0 HB3 ASP A 72 4.373 13.254 4.669 1.00 32.32 H new ATOM 1155 N ASP A 73 4.171 10.604 6.234 1.00 74.54 N ATOM 1156 CA ASP A 73 4.890 9.839 7.249 1.00 64.21 C ATOM 1157 C ASP A 73 4.085 8.630 7.719 1.00 12.52 C ATOM 1158 O ASP A 73 4.487 7.925 8.648 1.00 24.44 O ATOM 1159 CB ASP A 73 5.262 10.732 8.433 1.00 12.32 C ATOM 1160 CG ASP A 73 6.288 10.082 9.342 1.00 30.53 C ATOM 1161 OD1 ASP A 73 7.268 9.503 8.827 1.00 5.33 O ATOM 1162 OD2 ASP A 73 6.120 10.141 10.579 1.00 44.32 O ATOM 0 H ASP A 73 3.485 11.266 6.597 1.00 74.54 H new ATOM 0 HA ASP A 73 5.807 9.466 6.792 1.00 64.21 H new ATOM 0 HB2 ASP A 73 5.656 11.678 8.062 1.00 12.32 H new ATOM 0 HB3 ASP A 73 4.365 10.963 9.007 1.00 12.32 H new ATOM 1167 N VAL A 74 2.958 8.376 7.066 1.00 15.33 N ATOM 1168 CA VAL A 74 2.154 7.203 7.380 1.00 21.21 C ATOM 1169 C VAL A 74 2.810 5.946 6.816 1.00 2.32 C ATOM 1170 O VAL A 74 2.975 5.810 5.602 1.00 50.14 O ATOM 1171 CB VAL A 74 0.706 7.330 6.841 1.00 2.24 C ATOM 1172 CG1 VAL A 74 -0.014 5.989 6.876 1.00 32.41 C ATOM 1173 CG2 VAL A 74 -0.072 8.352 7.644 1.00 33.11 C ATOM 0 H VAL A 74 2.582 8.962 6.321 1.00 15.33 H new ATOM 0 HA VAL A 74 2.098 7.129 8.466 1.00 21.21 H new ATOM 0 HB VAL A 74 0.766 7.661 5.804 1.00 2.24 H new ATOM 0 HG11 VAL A 74 -1.027 6.110 6.492 1.00 32.41 H new ATOM 0 HG12 VAL A 74 0.525 5.270 6.258 1.00 32.41 H new ATOM 0 HG13 VAL A 74 -0.056 5.625 7.903 1.00 32.41 H new ATOM 0 HG21 VAL A 74 -1.086 8.428 7.251 1.00 33.11 H new ATOM 0 HG22 VAL A 74 -0.109 8.042 8.688 1.00 33.11 H new ATOM 0 HG23 VAL A 74 0.419 9.322 7.571 1.00 33.11 H new ATOM 1183 N ASP A 75 3.212 5.049 7.707 1.00 22.42 N ATOM 1184 CA ASP A 75 3.807 3.781 7.304 1.00 24.43 C ATOM 1185 C ASP A 75 2.732 2.765 6.976 1.00 41.24 C ATOM 1186 O ASP A 75 1.942 2.383 7.839 1.00 63.03 O ATOM 1187 CB ASP A 75 4.698 3.202 8.408 1.00 44.52 C ATOM 1188 CG ASP A 75 6.017 3.924 8.561 1.00 43.21 C ATOM 1189 OD1 ASP A 75 6.015 5.083 9.018 1.00 51.24 O ATOM 1190 OD2 ASP A 75 7.069 3.319 8.256 1.00 25.42 O ATOM 0 H ASP A 75 3.137 5.176 8.716 1.00 22.42 H new ATOM 0 HA ASP A 75 4.414 3.983 6.421 1.00 24.43 H new ATOM 0 HB2 ASP A 75 4.160 3.241 9.355 1.00 44.52 H new ATOM 0 HB3 ASP A 75 4.891 2.151 8.194 1.00 44.52 H new ATOM 1195 N ILE A 76 2.692 2.341 5.729 1.00 43.34 N ATOM 1196 CA ILE A 76 1.840 1.237 5.345 1.00 40.31 C ATOM 1197 C ILE A 76 2.607 -0.056 5.590 1.00 62.43 C ATOM 1198 O ILE A 76 3.572 -0.356 4.886 1.00 72.42 O ATOM 1199 CB ILE A 76 1.425 1.320 3.857 1.00 2.20 C ATOM 1200 CG1 ILE A 76 1.020 2.754 3.476 1.00 12.34 C ATOM 1201 CG2 ILE A 76 0.286 0.349 3.567 1.00 35.44 C ATOM 1202 CD1 ILE A 76 -0.159 3.303 4.247 1.00 35.21 C ATOM 0 H ILE A 76 3.238 2.743 4.967 1.00 43.34 H new ATOM 0 HA ILE A 76 0.926 1.272 5.939 1.00 40.31 H new ATOM 0 HB ILE A 76 2.286 1.040 3.250 1.00 2.20 H new ATOM 0 HG12 ILE A 76 1.875 3.412 3.630 1.00 12.34 H new ATOM 0 HG13 ILE A 76 0.785 2.780 2.412 1.00 12.34 H new ATOM 0 HG21 ILE A 76 0.006 0.420 2.516 1.00 35.44 H new ATOM 0 HG22 ILE A 76 0.610 -0.668 3.788 1.00 35.44 H new ATOM 0 HG23 ILE A 76 -0.573 0.600 4.189 1.00 35.44 H new ATOM 0 HD11 ILE A 76 -0.372 4.318 3.912 1.00 35.21 H new ATOM 0 HD12 ILE A 76 -1.032 2.673 4.075 1.00 35.21 H new ATOM 0 HD13 ILE A 76 0.076 3.314 5.311 1.00 35.21 H new ATOM 1214 N ILE A 77 2.204 -0.799 6.608 1.00 33.03 N ATOM 1215 CA ILE A 77 2.940 -1.981 7.023 1.00 51.22 C ATOM 1216 C ILE A 77 2.376 -3.235 6.366 1.00 50.01 C ATOM 1217 O ILE A 77 1.175 -3.492 6.422 1.00 31.31 O ATOM 1218 CB ILE A 77 2.917 -2.149 8.557 1.00 33.31 C ATOM 1219 CG1 ILE A 77 3.493 -0.900 9.235 1.00 72.33 C ATOM 1220 CG2 ILE A 77 3.700 -3.391 8.970 1.00 32.15 C ATOM 1221 CD1 ILE A 77 3.491 -0.966 10.748 1.00 30.34 C ATOM 0 H ILE A 77 1.370 -0.604 7.162 1.00 33.03 H new ATOM 0 HA ILE A 77 3.973 -1.844 6.702 1.00 51.22 H new ATOM 0 HB ILE A 77 1.883 -2.274 8.878 1.00 33.31 H new ATOM 0 HG12 ILE A 77 4.516 -0.750 8.889 1.00 72.33 H new ATOM 0 HG13 ILE A 77 2.919 -0.029 8.918 1.00 72.33 H new ATOM 0 HG21 ILE A 77 3.673 -3.494 10.055 1.00 32.15 H new ATOM 0 HG22 ILE A 77 3.253 -4.273 8.511 1.00 32.15 H new ATOM 0 HG23 ILE A 77 4.734 -3.295 8.640 1.00 32.15 H new ATOM 0 HD11 ILE A 77 3.913 -0.046 11.153 1.00 30.34 H new ATOM 0 HD12 ILE A 77 2.468 -1.084 11.106 1.00 30.34 H new ATOM 0 HD13 ILE A 77 4.090 -1.816 11.076 1.00 30.34 H new ATOM 1233 N LEU A 78 3.253 -4.003 5.745 1.00 51.04 N ATOM 1234 CA LEU A 78 2.876 -5.237 5.079 1.00 14.10 C ATOM 1235 C LEU A 78 2.854 -6.386 6.084 1.00 64.34 C ATOM 1236 O LEU A 78 3.897 -6.804 6.580 1.00 11.44 O ATOM 1237 CB LEU A 78 3.873 -5.533 3.952 1.00 64.22 C ATOM 1238 CG LEU A 78 3.493 -6.675 3.010 1.00 10.10 C ATOM 1239 CD1 LEU A 78 2.254 -6.312 2.208 1.00 10.40 C ATOM 1240 CD2 LEU A 78 4.651 -7.009 2.083 1.00 54.11 C ATOM 0 H LEU A 78 4.249 -3.788 5.688 1.00 51.04 H new ATOM 0 HA LEU A 78 1.878 -5.130 4.653 1.00 14.10 H new ATOM 0 HB2 LEU A 78 4.003 -4.627 3.360 1.00 64.22 H new ATOM 0 HB3 LEU A 78 4.840 -5.763 4.399 1.00 64.22 H new ATOM 0 HG LEU A 78 3.268 -7.557 3.610 1.00 10.10 H new ATOM 0 HD11 LEU A 78 1.997 -7.136 1.542 1.00 10.40 H new ATOM 0 HD12 LEU A 78 1.423 -6.122 2.888 1.00 10.40 H new ATOM 0 HD13 LEU A 78 2.452 -5.417 1.618 1.00 10.40 H new ATOM 0 HD21 LEU A 78 4.362 -7.824 1.419 1.00 54.11 H new ATOM 0 HD22 LEU A 78 4.907 -6.131 1.489 1.00 54.11 H new ATOM 0 HD23 LEU A 78 5.515 -7.311 2.675 1.00 54.11 H new ATOM 1252 N LEU A 79 1.663 -6.883 6.386 1.00 65.32 N ATOM 1253 CA LEU A 79 1.503 -7.965 7.348 1.00 13.05 C ATOM 1254 C LEU A 79 1.677 -9.308 6.660 1.00 74.42 C ATOM 1255 O LEU A 79 2.329 -10.214 7.182 1.00 13.53 O ATOM 1256 CB LEU A 79 0.119 -7.901 8.000 1.00 1.31 C ATOM 1257 CG LEU A 79 -0.203 -6.598 8.732 1.00 70.53 C ATOM 1258 CD1 LEU A 79 -1.627 -6.629 9.260 1.00 71.42 C ATOM 1259 CD2 LEU A 79 0.782 -6.366 9.868 1.00 0.31 C ATOM 0 H LEU A 79 0.789 -6.552 5.977 1.00 65.32 H new ATOM 0 HA LEU A 79 2.265 -7.853 8.119 1.00 13.05 H new ATOM 0 HB2 LEU A 79 -0.635 -8.060 7.229 1.00 1.31 H new ATOM 0 HB3 LEU A 79 0.031 -8.726 8.707 1.00 1.31 H new ATOM 0 HG LEU A 79 -0.112 -5.772 8.026 1.00 70.53 H new ATOM 0 HD11 LEU A 79 -1.843 -5.695 9.779 1.00 71.42 H new ATOM 0 HD12 LEU A 79 -2.321 -6.751 8.428 1.00 71.42 H new ATOM 0 HD13 LEU A 79 -1.740 -7.463 9.952 1.00 71.42 H new ATOM 0 HD21 LEU A 79 0.537 -5.434 10.377 1.00 0.31 H new ATOM 0 HD22 LEU A 79 0.722 -7.193 10.576 1.00 0.31 H new ATOM 0 HD23 LEU A 79 1.793 -6.305 9.466 1.00 0.31 H new ATOM 1271 N GLN A 80 1.093 -9.420 5.480 1.00 0.44 N ATOM 1272 CA GLN A 80 1.179 -10.634 4.694 1.00 50.32 C ATOM 1273 C GLN A 80 2.077 -10.384 3.496 1.00 43.33 C ATOM 1274 O GLN A 80 1.894 -9.405 2.778 1.00 12.24 O ATOM 1275 CB GLN A 80 -0.223 -11.043 4.231 1.00 24.12 C ATOM 1276 CG GLN A 80 -0.268 -12.318 3.407 1.00 50.00 C ATOM 1277 CD GLN A 80 -1.646 -12.591 2.826 1.00 15.31 C ATOM 1278 OE1 GLN A 80 -2.689 -12.168 3.527 1.00 70.12 O flip ATOM 1279 NE2 GLN A 80 -1.772 -13.184 1.756 1.00 21.42 N flip ATOM 0 H GLN A 80 0.549 -8.676 5.043 1.00 0.44 H new ATOM 0 HA GLN A 80 1.599 -11.440 5.296 1.00 50.32 H new ATOM 0 HB2 GLN A 80 -0.859 -11.169 5.107 1.00 24.12 H new ATOM 0 HB3 GLN A 80 -0.649 -10.230 3.643 1.00 24.12 H new ATOM 0 HG2 GLN A 80 0.457 -12.248 2.596 1.00 50.00 H new ATOM 0 HG3 GLN A 80 0.032 -13.160 4.031 1.00 50.00 H new ATOM 0 HE21 GLN A 80 -0.946 -13.495 1.245 1.00 21.42 H new ATOM 0 HE22 GLN A 80 -2.703 -13.365 1.380 1.00 21.42 H new ATOM 1288 N ASP A 81 3.029 -11.270 3.265 1.00 32.12 N ATOM 1289 CA ASP A 81 3.973 -11.076 2.177 1.00 4.00 C ATOM 1290 C ASP A 81 3.807 -12.167 1.133 1.00 34.52 C ATOM 1291 O ASP A 81 4.118 -13.333 1.376 1.00 13.42 O ATOM 1292 CB ASP A 81 5.411 -11.049 2.700 1.00 4.24 C ATOM 1293 CG ASP A 81 6.403 -10.611 1.637 1.00 43.30 C ATOM 1294 OD1 ASP A 81 5.979 -9.993 0.636 1.00 25.21 O ATOM 1295 OD2 ASP A 81 7.612 -10.874 1.804 1.00 30.11 O ATOM 0 H ASP A 81 3.169 -12.122 3.808 1.00 32.12 H new ATOM 0 HA ASP A 81 3.764 -10.113 1.711 1.00 4.00 H new ATOM 0 HB2 ASP A 81 5.473 -10.372 3.552 1.00 4.24 H new ATOM 0 HB3 ASP A 81 5.683 -12.041 3.061 1.00 4.24 H new