USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 979 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 62 THR OG1 : rot 57:sc= 2.2 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -170:sc= 2.36 (180deg=0.861) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.911) USER MOD Set 2.2: A 48 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.12) USER MOD Set 3.1: A 28 CYS SG : rot 180:sc= 0.757 USER MOD Set 3.2: A 61 TYR OH : rot 139:sc= 0.796 USER MOD Set 4.1: A 14 MET CE :methyl -173:sc= -0.196 (180deg=-0.193) USER MOD Set 4.2: A 25 MET CE :methyl 171:sc= -0.0413 (180deg=-0.301) USER MOD Set 4.3: A 84 MET CE :methyl 180:sc= -0.221 (180deg=-0.215) USER MOD Set 5.1: A 17 HIS : no HE2:sc= 0.0136! C(o=1.8!,f=-3.6!) USER MOD Set 5.2: A 21 THR OG1 : rot -59:sc= 1.85 USER MOD Set 5.3: A 23 LYS NZ :NH3+ -151:sc= -0.101! (180deg=-0.326) USER MOD Single : A 6 THR OG1 : rot -171:sc= 0.0829 USER MOD Single : A 8 SER OG : rot 48:sc= 0.113 USER MOD Single : A 10 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Single : A 29 MET CE :methyl -173:sc= -0.287 (180deg=-0.396) USER MOD Single : A 35 MET CE :methyl -158:sc= -0.272 (180deg=-1.28) USER MOD Single : A 37 THR OG1 : rot -130:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.115 F(o=-1.5,f=-0.12) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot -20:sc= 1.12 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -173:sc= 1.17 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.591 K(o=0.59,f=-6.2!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN :FLIP amide:sc= 0.881 F(o=0,f=0.88) USER MOD Single : A 83 THR OG1 : rot 132:sc= 1.58 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00333 USER MOD Single : A 91 HIS : no HE2:sc= -1.02 K(o=-1,f=-2.3) USER MOD Single : A 94 ASN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 101 CYS SG : rot 176:sc= 1.48 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 7:sc= 0.179 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 122 TYR OH : rot 180:sc= -0.265 USER MOD Single : A 123 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.2) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 7.962 -8.184 5.668 1.00 53.22 N ATOM 54 CA GLY A 5 9.012 -7.722 4.790 1.00 4.00 C ATOM 55 C GLY A 5 8.394 -7.394 3.447 1.00 4.20 C ATOM 56 O GLY A 5 7.410 -6.657 3.393 1.00 42.23 O ATOM 0 HA2 GLY A 5 9.499 -6.842 5.210 1.00 4.00 H new ATOM 0 HA3 GLY A 5 9.779 -8.488 4.679 1.00 4.00 H new ATOM 60 N THR A 6 8.937 -7.946 2.375 1.00 41.14 N ATOM 61 CA THR A 6 8.489 -7.662 1.028 1.00 12.14 C ATOM 62 C THR A 6 8.620 -8.945 0.212 1.00 41.11 C ATOM 63 O THR A 6 9.407 -9.831 0.552 1.00 12.44 O ATOM 64 CB THR A 6 9.345 -6.508 0.509 1.00 33.33 C ATOM 65 OG1 THR A 6 9.085 -5.322 1.237 1.00 44.12 O ATOM 66 CG2 THR A 6 9.117 -6.228 -0.967 1.00 72.04 C ATOM 0 H THR A 6 9.709 -8.611 2.419 1.00 41.14 H new ATOM 0 HA THR A 6 7.445 -7.355 0.967 1.00 12.14 H new ATOM 0 HB THR A 6 10.381 -6.817 0.645 1.00 33.33 H new ATOM 0 HG1 THR A 6 9.530 -4.566 0.800 1.00 44.12 H new ATOM 0 HG21 THR A 6 9.751 -5.399 -1.282 1.00 72.04 H new ATOM 0 HG22 THR A 6 9.365 -7.116 -1.548 1.00 72.04 H new ATOM 0 HG23 THR A 6 8.071 -5.968 -1.131 1.00 72.04 H new ATOM 74 N VAL A 7 7.782 -9.073 -0.816 1.00 43.41 N ATOM 75 CA VAL A 7 7.541 -10.302 -1.555 1.00 73.53 C ATOM 76 C VAL A 7 7.164 -9.954 -3.003 1.00 15.40 C ATOM 77 O VAL A 7 7.344 -8.812 -3.429 1.00 4.12 O ATOM 78 CB VAL A 7 6.454 -11.123 -0.832 1.00 64.55 C ATOM 79 CG1 VAL A 7 6.854 -11.556 0.582 1.00 13.21 C ATOM 80 CG2 VAL A 7 5.128 -10.358 -0.705 1.00 32.01 C ATOM 0 H VAL A 7 7.232 -8.289 -1.167 1.00 43.41 H new ATOM 0 HA VAL A 7 8.439 -10.919 -1.594 1.00 73.53 H new ATOM 0 HB VAL A 7 6.333 -12.003 -1.464 1.00 64.55 H new ATOM 0 HG11 VAL A 7 6.042 -12.129 1.030 1.00 13.21 H new ATOM 0 HG12 VAL A 7 7.751 -12.174 0.533 1.00 13.21 H new ATOM 0 HG13 VAL A 7 7.054 -10.674 1.190 1.00 13.21 H new ATOM 0 HG21 VAL A 7 4.397 -10.980 -0.189 1.00 32.01 H new ATOM 0 HG22 VAL A 7 5.290 -9.441 -0.138 1.00 32.01 H new ATOM 0 HG23 VAL A 7 4.755 -10.109 -1.698 1.00 32.01 H new ATOM 90 N SER A 8 6.631 -10.913 -3.762 1.00 10.13 N ATOM 91 CA SER A 8 6.025 -10.706 -5.070 1.00 4.03 C ATOM 92 C SER A 8 4.677 -11.426 -5.016 1.00 52.44 C ATOM 93 O SER A 8 4.564 -12.601 -5.379 1.00 72.21 O ATOM 94 CB SER A 8 6.990 -11.198 -6.166 1.00 12.14 C ATOM 95 OG SER A 8 6.424 -11.127 -7.460 1.00 2.55 O ATOM 0 H SER A 8 6.611 -11.890 -3.468 1.00 10.13 H new ATOM 0 HA SER A 8 5.845 -9.660 -5.319 1.00 4.03 H new ATOM 0 HB2 SER A 8 7.901 -10.600 -6.138 1.00 12.14 H new ATOM 0 HB3 SER A 8 7.279 -12.228 -5.956 1.00 12.14 H new ATOM 0 HG SER A 8 6.017 -10.245 -7.591 1.00 2.55 H new ATOM 101 N TRP A 9 3.660 -10.773 -4.455 1.00 31.10 N ATOM 102 CA TRP A 9 2.281 -11.233 -4.547 1.00 31.20 C ATOM 103 C TRP A 9 1.603 -10.503 -5.700 1.00 71.13 C ATOM 104 O TRP A 9 2.070 -9.448 -6.132 1.00 33.15 O ATOM 105 CB TRP A 9 1.565 -10.993 -3.214 1.00 64.31 C ATOM 106 CG TRP A 9 2.069 -11.794 -2.049 1.00 62.53 C ATOM 107 CD1 TRP A 9 2.771 -12.951 -2.104 1.00 65.33 C ATOM 108 CD2 TRP A 9 1.888 -11.512 -0.633 1.00 5.12 C ATOM 109 NE1 TRP A 9 3.058 -13.390 -0.828 1.00 11.10 N ATOM 110 CE2 TRP A 9 2.515 -12.547 0.122 1.00 24.44 C ATOM 111 CE3 TRP A 9 1.272 -10.467 0.086 1.00 21.42 C ATOM 112 CZ2 TRP A 9 2.525 -12.542 1.525 1.00 30.44 C ATOM 113 CZ3 TRP A 9 1.256 -10.465 1.492 1.00 41.44 C ATOM 114 CH2 TRP A 9 1.869 -11.505 2.211 1.00 4.14 C ATOM 0 H TRP A 9 3.772 -9.909 -3.924 1.00 31.10 H new ATOM 0 HA TRP A 9 2.242 -12.304 -4.746 1.00 31.20 H new ATOM 0 HB2 TRP A 9 1.645 -9.935 -2.965 1.00 64.31 H new ATOM 0 HB3 TRP A 9 0.505 -11.209 -3.348 1.00 64.31 H new ATOM 0 HD1 TRP A 9 3.063 -13.456 -3.013 1.00 65.33 H new ATOM 0 HE1 TRP A 9 3.600 -14.227 -0.614 1.00 11.10 H new ATOM 0 HE3 TRP A 9 0.805 -9.655 -0.452 1.00 21.42 H new ATOM 0 HZ2 TRP A 9 3.030 -13.325 2.071 1.00 30.44 H new ATOM 0 HZ3 TRP A 9 0.770 -9.660 2.022 1.00 41.44 H new ATOM 0 HH2 TRP A 9 1.836 -11.508 3.290 1.00 4.14 H new ATOM 125 N ASN A 10 0.504 -11.070 -6.202 1.00 53.32 N ATOM 126 CA ASN A 10 -0.318 -10.432 -7.214 1.00 0.33 C ATOM 127 C ASN A 10 -1.327 -9.546 -6.495 1.00 11.44 C ATOM 128 O ASN A 10 -1.617 -9.782 -5.323 1.00 15.42 O ATOM 129 CB ASN A 10 -1.012 -11.525 -8.033 1.00 34.52 C ATOM 130 CG ASN A 10 -2.102 -10.979 -8.940 1.00 64.11 C ATOM 131 OD1 ASN A 10 -1.880 -10.070 -9.731 1.00 70.33 O ATOM 132 ND2 ASN A 10 -3.311 -11.480 -8.798 1.00 13.14 N ATOM 0 H ASN A 10 0.164 -11.987 -5.913 1.00 53.32 H new ATOM 0 HA ASN A 10 0.272 -9.819 -7.895 1.00 0.33 H new ATOM 0 HB2 ASN A 10 -0.270 -12.046 -8.638 1.00 34.52 H new ATOM 0 HB3 ASN A 10 -1.445 -12.261 -7.355 1.00 34.52 H new ATOM 0 HD21 ASN A 10 -4.084 -11.112 -9.352 1.00 13.14 H new ATOM 0 HD22 ASN A 10 -3.475 -12.237 -8.134 1.00 13.14 H new ATOM 139 N LEU A 11 -1.925 -8.606 -7.220 1.00 11.22 N ATOM 140 CA LEU A 11 -2.991 -7.725 -6.769 1.00 0.15 C ATOM 141 C LEU A 11 -4.082 -8.504 -6.023 1.00 55.41 C ATOM 142 O LEU A 11 -4.437 -8.128 -4.907 1.00 61.02 O ATOM 143 CB LEU A 11 -3.532 -6.982 -8.003 1.00 43.52 C ATOM 144 CG LEU A 11 -4.155 -5.606 -7.718 1.00 23.31 C ATOM 145 CD1 LEU A 11 -4.652 -5.039 -9.051 1.00 53.14 C ATOM 146 CD2 LEU A 11 -5.302 -5.630 -6.706 1.00 55.12 C ATOM 0 H LEU A 11 -1.663 -8.431 -8.190 1.00 11.22 H new ATOM 0 HA LEU A 11 -2.612 -7.000 -6.049 1.00 0.15 H new ATOM 0 HB2 LEU A 11 -2.717 -6.854 -8.716 1.00 43.52 H new ATOM 0 HB3 LEU A 11 -4.282 -7.609 -8.485 1.00 43.52 H new ATOM 0 HG LEU A 11 -3.384 -4.983 -7.264 1.00 23.31 H new ATOM 0 HD11 LEU A 11 -5.101 -4.060 -8.885 1.00 53.14 H new ATOM 0 HD12 LEU A 11 -3.813 -4.941 -9.740 1.00 53.14 H new ATOM 0 HD13 LEU A 11 -5.396 -5.712 -9.478 1.00 53.14 H new ATOM 0 HD21 LEU A 11 -5.683 -4.619 -6.564 1.00 55.12 H new ATOM 0 HD22 LEU A 11 -6.102 -6.270 -7.078 1.00 55.12 H new ATOM 0 HD23 LEU A 11 -4.939 -6.018 -5.754 1.00 55.12 H new ATOM 158 N ARG A 12 -4.611 -9.599 -6.590 1.00 74.55 N ATOM 159 CA ARG A 12 -5.600 -10.389 -5.862 1.00 33.11 C ATOM 160 C ARG A 12 -5.019 -11.067 -4.635 1.00 32.34 C ATOM 161 O ARG A 12 -5.738 -11.140 -3.651 1.00 34.31 O ATOM 162 CB ARG A 12 -6.303 -11.431 -6.747 1.00 3.44 C ATOM 163 CG ARG A 12 -7.605 -10.850 -7.299 1.00 15.32 C ATOM 164 CD ARG A 12 -8.427 -11.906 -8.045 1.00 44.44 C ATOM 165 NE ARG A 12 -9.133 -12.785 -7.094 1.00 5.22 N ATOM 166 CZ ARG A 12 -10.450 -12.844 -6.862 1.00 31.12 C ATOM 167 NH1 ARG A 12 -11.336 -12.351 -7.712 1.00 44.25 N ATOM 168 NH2 ARG A 12 -10.883 -13.408 -5.748 1.00 15.12 N ATOM 0 H ARG A 12 -4.377 -9.945 -7.521 1.00 74.55 H new ATOM 0 HA ARG A 12 -6.347 -9.666 -5.533 1.00 33.11 H new ATOM 0 HB2 ARG A 12 -5.649 -11.725 -7.568 1.00 3.44 H new ATOM 0 HB3 ARG A 12 -6.512 -12.331 -6.168 1.00 3.44 H new ATOM 0 HG2 ARG A 12 -8.196 -10.441 -6.480 1.00 15.32 H new ATOM 0 HG3 ARG A 12 -7.378 -10.024 -7.972 1.00 15.32 H new ATOM 0 HD2 ARG A 12 -9.148 -11.417 -8.700 1.00 44.44 H new ATOM 0 HD3 ARG A 12 -7.772 -12.502 -8.681 1.00 44.44 H new ATOM 0 HE ARG A 12 -8.550 -13.422 -6.550 1.00 5.22 H new ATOM 0 HH11 ARG A 12 -11.023 -11.909 -8.576 1.00 44.25 H new ATOM 0 HH12 ARG A 12 -12.332 -12.413 -7.503 1.00 44.25 H new ATOM 0 HH21 ARG A 12 -10.216 -13.791 -5.078 1.00 15.12 H new ATOM 0 HH22 ARG A 12 -11.884 -13.460 -5.558 1.00 15.12 H new ATOM 182 N GLU A 13 -3.777 -11.553 -4.665 1.00 4.52 N ATOM 183 CA GLU A 13 -3.197 -12.201 -3.494 1.00 14.43 C ATOM 184 C GLU A 13 -3.113 -11.213 -2.337 1.00 1.24 C ATOM 185 O GLU A 13 -3.564 -11.533 -1.243 1.00 53.41 O ATOM 186 CB GLU A 13 -1.833 -12.845 -3.789 1.00 63.21 C ATOM 187 CG GLU A 13 -1.944 -14.234 -4.429 1.00 73.24 C ATOM 188 CD GLU A 13 -2.730 -15.211 -3.544 1.00 61.24 C ATOM 189 OE1 GLU A 13 -2.167 -15.742 -2.559 1.00 61.40 O ATOM 190 OE2 GLU A 13 -3.928 -15.430 -3.827 1.00 50.15 O ATOM 0 H GLU A 13 -3.162 -11.510 -5.478 1.00 4.52 H new ATOM 0 HA GLU A 13 -3.859 -13.019 -3.208 1.00 14.43 H new ATOM 0 HB2 GLU A 13 -1.266 -12.191 -4.452 1.00 63.21 H new ATOM 0 HB3 GLU A 13 -1.268 -12.925 -2.860 1.00 63.21 H new ATOM 0 HG2 GLU A 13 -2.434 -14.149 -5.399 1.00 73.24 H new ATOM 0 HG3 GLU A 13 -0.945 -14.631 -4.610 1.00 73.24 H new ATOM 197 N MET A 14 -2.577 -10.012 -2.564 1.00 74.12 N ATOM 198 CA MET A 14 -2.457 -9.017 -1.508 1.00 72.13 C ATOM 199 C MET A 14 -3.835 -8.533 -1.028 1.00 72.45 C ATOM 200 O MET A 14 -4.042 -8.432 0.181 1.00 12.41 O ATOM 201 CB MET A 14 -1.496 -7.896 -1.934 1.00 71.14 C ATOM 202 CG MET A 14 -1.907 -7.090 -3.167 1.00 45.32 C ATOM 203 SD MET A 14 -0.584 -6.110 -3.935 1.00 50.33 S ATOM 204 CE MET A 14 0.142 -5.272 -2.502 1.00 44.20 C ATOM 0 H MET A 14 -2.221 -9.709 -3.471 1.00 74.12 H new ATOM 0 HA MET A 14 -2.007 -9.477 -0.628 1.00 72.13 H new ATOM 0 HB2 MET A 14 -1.380 -7.207 -1.097 1.00 71.14 H new ATOM 0 HB3 MET A 14 -0.517 -8.337 -2.123 1.00 71.14 H new ATOM 0 HG2 MET A 14 -2.306 -7.777 -3.913 1.00 45.32 H new ATOM 0 HG3 MET A 14 -2.718 -6.418 -2.887 1.00 45.32 H new ATOM 0 HE1 MET A 14 0.881 -4.546 -2.841 1.00 44.20 H new ATOM 0 HE2 MET A 14 -0.642 -4.759 -1.945 1.00 44.20 H new ATOM 0 HE3 MET A 14 0.625 -6.006 -1.857 1.00 44.20 H new ATOM 214 N LEU A 15 -4.793 -8.299 -1.938 1.00 34.43 N ATOM 215 CA LEU A 15 -6.161 -7.911 -1.578 1.00 42.05 C ATOM 216 C LEU A 15 -6.845 -9.012 -0.754 1.00 4.15 C ATOM 217 O LEU A 15 -7.545 -8.711 0.212 1.00 75.12 O ATOM 218 CB LEU A 15 -6.974 -7.603 -2.855 1.00 53.34 C ATOM 219 CG LEU A 15 -8.282 -6.818 -2.599 1.00 53.43 C ATOM 220 CD1 LEU A 15 -8.010 -5.315 -2.452 1.00 15.14 C ATOM 221 CD2 LEU A 15 -9.258 -6.980 -3.774 1.00 51.32 C ATOM 0 H LEU A 15 -4.639 -8.374 -2.943 1.00 34.43 H new ATOM 0 HA LEU A 15 -6.116 -7.012 -0.963 1.00 42.05 H new ATOM 0 HB2 LEU A 15 -6.349 -7.032 -3.541 1.00 53.34 H new ATOM 0 HB3 LEU A 15 -7.218 -8.542 -3.352 1.00 53.34 H new ATOM 0 HG LEU A 15 -8.708 -7.221 -1.681 1.00 53.43 H new ATOM 0 HD11 LEU A 15 -8.949 -4.791 -2.273 1.00 15.14 H new ATOM 0 HD12 LEU A 15 -7.335 -5.148 -1.612 1.00 15.14 H new ATOM 0 HD13 LEU A 15 -7.552 -4.937 -3.366 1.00 15.14 H new ATOM 0 HD21 LEU A 15 -10.170 -6.419 -3.570 1.00 51.32 H new ATOM 0 HD22 LEU A 15 -8.796 -6.602 -4.686 1.00 51.32 H new ATOM 0 HD23 LEU A 15 -9.502 -8.035 -3.901 1.00 51.32 H new ATOM 233 N ALA A 16 -6.682 -10.280 -1.139 1.00 12.11 N ATOM 234 CA ALA A 16 -7.295 -11.428 -0.482 1.00 75.31 C ATOM 235 C ALA A 16 -6.658 -11.689 0.879 1.00 54.53 C ATOM 236 O ALA A 16 -7.377 -11.939 1.848 1.00 45.22 O ATOM 237 CB ALA A 16 -7.159 -12.659 -1.381 1.00 22.13 C ATOM 0 H ALA A 16 -6.104 -10.539 -1.938 1.00 12.11 H new ATOM 0 HA ALA A 16 -8.351 -11.214 -0.316 1.00 75.31 H new ATOM 0 HB1 ALA A 16 -7.617 -13.519 -0.892 1.00 22.13 H new ATOM 0 HB2 ALA A 16 -7.660 -12.473 -2.331 1.00 22.13 H new ATOM 0 HB3 ALA A 16 -6.104 -12.863 -1.561 1.00 22.13 H new ATOM 243 N HIS A 17 -5.330 -11.596 0.967 1.00 62.11 N ATOM 244 CA HIS A 17 -4.589 -11.766 2.206 1.00 70.34 C ATOM 245 C HIS A 17 -5.049 -10.733 3.226 1.00 64.13 C ATOM 246 O HIS A 17 -5.251 -11.052 4.396 1.00 64.40 O ATOM 247 CB HIS A 17 -3.085 -11.607 1.946 1.00 43.50 C ATOM 248 CG HIS A 17 -2.248 -11.822 3.179 1.00 43.21 C ATOM 249 ND1 HIS A 17 -2.268 -12.941 3.976 1.00 73.42 N ATOM 250 CD2 HIS A 17 -1.318 -10.960 3.690 1.00 5.41 C ATOM 251 CE1 HIS A 17 -1.329 -12.787 4.916 1.00 63.52 C ATOM 252 NE2 HIS A 17 -0.743 -11.579 4.808 1.00 54.53 N ATOM 0 H HIS A 17 -4.735 -11.397 0.163 1.00 62.11 H new ATOM 0 HA HIS A 17 -4.776 -12.766 2.598 1.00 70.34 H new ATOM 0 HB2 HIS A 17 -2.778 -12.316 1.177 1.00 43.50 H new ATOM 0 HB3 HIS A 17 -2.893 -10.608 1.553 1.00 43.50 H new ATOM 0 HD1 HIS A 17 -2.887 -13.744 3.870 1.00 73.42 H new ATOM 0 HD2 HIS A 17 -1.072 -9.982 3.303 1.00 5.41 H new ATOM 0 HE1 HIS A 17 -1.076 -13.529 5.659 1.00 63.52 H new ATOM 260 N ALA A 18 -5.203 -9.480 2.803 1.00 22.31 N ATOM 261 CA ALA A 18 -5.620 -8.396 3.668 1.00 14.11 C ATOM 262 C ALA A 18 -7.088 -8.545 4.085 1.00 70.33 C ATOM 263 O ALA A 18 -7.424 -8.195 5.215 1.00 13.21 O ATOM 264 CB ALA A 18 -5.382 -7.101 2.902 1.00 32.34 C ATOM 0 H ALA A 18 -5.038 -9.193 1.838 1.00 22.31 H new ATOM 0 HA ALA A 18 -5.046 -8.401 4.595 1.00 14.11 H new ATOM 0 HB1 ALA A 18 -5.683 -6.253 3.518 1.00 32.34 H new ATOM 0 HB2 ALA A 18 -4.324 -7.013 2.656 1.00 32.34 H new ATOM 0 HB3 ALA A 18 -5.968 -7.109 1.983 1.00 32.34 H new ATOM 270 N GLU A 19 -7.944 -9.104 3.220 1.00 65.11 N ATOM 271 CA GLU A 19 -9.316 -9.463 3.563 1.00 75.32 C ATOM 272 C GLU A 19 -9.356 -10.604 4.598 1.00 53.53 C ATOM 273 O GLU A 19 -10.249 -10.636 5.453 1.00 71.42 O ATOM 274 CB GLU A 19 -10.103 -9.879 2.298 1.00 31.10 C ATOM 275 CG GLU A 19 -10.799 -8.725 1.569 1.00 25.31 C ATOM 276 CD GLU A 19 -12.011 -9.153 0.732 1.00 14.22 C ATOM 277 OE1 GLU A 19 -11.973 -10.177 0.006 1.00 21.12 O ATOM 278 OE2 GLU A 19 -13.016 -8.404 0.710 1.00 32.13 O ATOM 0 H GLU A 19 -7.696 -9.320 2.254 1.00 65.11 H new ATOM 0 HA GLU A 19 -9.784 -8.582 4.003 1.00 75.32 H new ATOM 0 HB2 GLU A 19 -9.418 -10.368 1.605 1.00 31.10 H new ATOM 0 HB3 GLU A 19 -10.853 -10.618 2.580 1.00 31.10 H new ATOM 0 HG2 GLU A 19 -11.121 -7.987 2.304 1.00 25.31 H new ATOM 0 HG3 GLU A 19 -10.077 -8.233 0.918 1.00 25.31 H new ATOM 285 N GLU A 20 -8.432 -11.564 4.507 1.00 71.33 N ATOM 286 CA GLU A 20 -8.364 -12.747 5.369 1.00 11.11 C ATOM 287 C GLU A 20 -7.688 -12.449 6.714 1.00 33.32 C ATOM 288 O GLU A 20 -7.845 -13.174 7.703 1.00 51.23 O ATOM 289 CB GLU A 20 -7.542 -13.833 4.655 1.00 60.00 C ATOM 290 CG GLU A 20 -7.891 -15.224 5.187 1.00 22.41 C ATOM 291 CD GLU A 20 -9.141 -15.833 4.559 1.00 53.22 C ATOM 292 OE1 GLU A 20 -10.033 -15.078 4.112 1.00 44.34 O ATOM 293 OE2 GLU A 20 -9.266 -17.079 4.582 1.00 42.34 O ATOM 0 H GLU A 20 -7.688 -11.539 3.810 1.00 71.33 H new ATOM 0 HA GLU A 20 -9.386 -13.072 5.563 1.00 11.11 H new ATOM 0 HB2 GLU A 20 -7.732 -13.792 3.583 1.00 60.00 H new ATOM 0 HB3 GLU A 20 -6.478 -13.642 4.798 1.00 60.00 H new ATOM 0 HG2 GLU A 20 -7.047 -15.891 5.012 1.00 22.41 H new ATOM 0 HG3 GLU A 20 -8.031 -15.164 6.266 1.00 22.41 H new ATOM 300 N THR A 21 -6.895 -11.388 6.745 1.00 32.12 N ATOM 301 CA THR A 21 -6.084 -10.973 7.868 1.00 5.13 C ATOM 302 C THR A 21 -6.547 -9.578 8.280 1.00 64.31 C ATOM 303 O THR A 21 -7.682 -9.187 8.010 1.00 42.03 O ATOM 304 CB THR A 21 -4.582 -11.188 7.603 1.00 2.04 C ATOM 305 OG1 THR A 21 -4.035 -10.340 6.621 1.00 11.24 O ATOM 306 CG2 THR A 21 -4.270 -12.639 7.214 1.00 2.13 C ATOM 0 H THR A 21 -6.799 -10.765 5.943 1.00 32.12 H new ATOM 0 HA THR A 21 -6.228 -11.603 8.746 1.00 5.13 H new ATOM 0 HB THR A 21 -4.113 -10.939 8.555 1.00 2.04 H new ATOM 0 HG1 THR A 21 -4.505 -10.476 5.772 1.00 11.24 H new ATOM 0 HG21 THR A 21 -3.200 -12.746 7.036 1.00 2.13 H new ATOM 0 HG22 THR A 21 -4.572 -13.305 8.022 1.00 2.13 H new ATOM 0 HG23 THR A 21 -4.816 -12.898 6.307 1.00 2.13 H new ATOM 314 N ARG A 22 -5.736 -8.867 9.055 1.00 52.30 N ATOM 315 CA ARG A 22 -5.994 -7.488 9.438 1.00 2.03 C ATOM 316 C ARG A 22 -4.717 -6.735 9.163 1.00 44.43 C ATOM 317 O ARG A 22 -3.913 -6.478 10.061 1.00 52.50 O ATOM 318 CB ARG A 22 -6.567 -7.290 10.848 1.00 51.24 C ATOM 319 CG ARG A 22 -5.996 -8.115 12.002 1.00 32.13 C ATOM 320 CD ARG A 22 -6.510 -9.552 11.924 1.00 32.40 C ATOM 321 NE ARG A 22 -6.198 -10.297 13.151 1.00 11.34 N ATOM 322 CZ ARG A 22 -6.273 -11.623 13.300 1.00 2.32 C ATOM 323 NH1 ARG A 22 -6.804 -12.398 12.357 1.00 75.34 N ATOM 324 NH2 ARG A 22 -5.769 -12.187 14.389 1.00 14.50 N ATOM 0 H ARG A 22 -4.868 -9.240 9.440 1.00 52.30 H new ATOM 0 HA ARG A 22 -6.814 -7.085 8.843 1.00 2.03 H new ATOM 0 HB2 ARG A 22 -6.450 -6.238 11.106 1.00 51.24 H new ATOM 0 HB3 ARG A 22 -7.638 -7.489 10.799 1.00 51.24 H new ATOM 0 HG2 ARG A 22 -4.907 -8.107 11.961 1.00 32.13 H new ATOM 0 HG3 ARG A 22 -6.282 -7.669 12.955 1.00 32.13 H new ATOM 0 HD2 ARG A 22 -7.588 -9.547 11.763 1.00 32.40 H new ATOM 0 HD3 ARG A 22 -6.062 -10.055 11.067 1.00 32.40 H new ATOM 0 HE ARG A 22 -5.898 -9.754 13.961 1.00 11.34 H new ATOM 0 HH11 ARG A 22 -7.164 -11.982 11.498 1.00 75.34 H new ATOM 0 HH12 ARG A 22 -6.850 -13.408 12.493 1.00 75.34 H new ATOM 0 HH21 ARG A 22 -5.328 -11.610 15.105 1.00 14.50 H new ATOM 0 HH22 ARG A 22 -5.822 -13.198 14.511 1.00 14.50 H new ATOM 338 N LYS A 23 -4.454 -6.547 7.877 1.00 3.24 N ATOM 339 CA LYS A 23 -3.382 -5.730 7.358 1.00 24.12 C ATOM 340 C LYS A 23 -4.054 -4.668 6.509 1.00 3.12 C ATOM 341 O LYS A 23 -4.776 -5.014 5.579 1.00 60.11 O ATOM 342 CB LYS A 23 -2.413 -6.589 6.548 1.00 5.31 C ATOM 343 CG LYS A 23 -1.809 -7.687 7.429 1.00 34.25 C ATOM 344 CD LYS A 23 -0.871 -8.546 6.599 1.00 33.33 C ATOM 345 CE LYS A 23 -0.342 -9.697 7.462 1.00 55.44 C ATOM 346 NZ LYS A 23 -1.297 -10.823 7.476 1.00 41.34 N ATOM 0 H LYS A 23 -5.010 -6.982 7.141 1.00 3.24 H new ATOM 0 HA LYS A 23 -2.788 -5.268 8.146 1.00 24.12 H new ATOM 0 HB2 LYS A 23 -2.934 -7.038 5.703 1.00 5.31 H new ATOM 0 HB3 LYS A 23 -1.619 -5.965 6.138 1.00 5.31 H new ATOM 0 HG2 LYS A 23 -1.268 -7.241 8.264 1.00 34.25 H new ATOM 0 HG3 LYS A 23 -2.601 -8.303 7.855 1.00 34.25 H new ATOM 0 HD2 LYS A 23 -1.395 -8.940 5.728 1.00 33.33 H new ATOM 0 HD3 LYS A 23 -0.042 -7.944 6.227 1.00 33.33 H new ATOM 0 HE2 LYS A 23 0.620 -10.035 7.076 1.00 55.44 H new ATOM 0 HE3 LYS A 23 -0.172 -9.346 8.480 1.00 55.44 H new ATOM 0 HZ1 LYS A 23 -1.209 -11.341 8.373 1.00 41.34 H new ATOM 0 HZ2 LYS A 23 -2.266 -10.458 7.381 1.00 41.34 H new ATOM 0 HZ3 LYS A 23 -1.089 -11.464 6.684 1.00 41.34 H new ATOM 360 N LEU A 24 -3.865 -3.400 6.857 1.00 41.13 N ATOM 361 CA LEU A 24 -4.477 -2.284 6.146 1.00 4.45 C ATOM 362 C LEU A 24 -3.995 -2.291 4.694 1.00 61.05 C ATOM 363 O LEU A 24 -2.822 -2.583 4.452 1.00 31.03 O ATOM 364 CB LEU A 24 -4.023 -0.993 6.835 1.00 34.11 C ATOM 365 CG LEU A 24 -4.758 0.266 6.332 1.00 50.24 C ATOM 366 CD1 LEU A 24 -5.815 0.692 7.346 1.00 14.13 C ATOM 367 CD2 LEU A 24 -3.789 1.430 6.119 1.00 35.21 C ATOM 0 H LEU A 24 -3.281 -3.116 7.643 1.00 41.13 H new ATOM 0 HA LEU A 24 -5.564 -2.360 6.158 1.00 4.45 H new ATOM 0 HB2 LEU A 24 -4.179 -1.090 7.909 1.00 34.11 H new ATOM 0 HB3 LEU A 24 -2.952 -0.865 6.679 1.00 34.11 H new ATOM 0 HG LEU A 24 -5.225 0.015 5.379 1.00 50.24 H new ATOM 0 HD11 LEU A 24 -6.329 1.582 6.983 1.00 14.13 H new ATOM 0 HD12 LEU A 24 -6.536 -0.114 7.481 1.00 14.13 H new ATOM 0 HD13 LEU A 24 -5.336 0.913 8.300 1.00 14.13 H new ATOM 0 HD21 LEU A 24 -4.339 2.301 5.764 1.00 35.21 H new ATOM 0 HD22 LEU A 24 -3.297 1.671 7.061 1.00 35.21 H new ATOM 0 HD23 LEU A 24 -3.039 1.149 5.379 1.00 35.21 H new ATOM 379 N MET A 25 -4.836 -1.867 3.750 1.00 54.33 N ATOM 380 CA MET A 25 -4.481 -1.754 2.337 1.00 71.21 C ATOM 381 C MET A 25 -4.462 -0.269 1.936 1.00 54.53 C ATOM 382 O MET A 25 -5.481 0.264 1.484 1.00 42.11 O ATOM 383 CB MET A 25 -5.441 -2.641 1.527 1.00 1.33 C ATOM 384 CG MET A 25 -5.244 -2.661 0.005 1.00 14.45 C ATOM 385 SD MET A 25 -3.793 -3.549 -0.620 1.00 1.32 S ATOM 386 CE MET A 25 -4.338 -3.884 -2.316 1.00 31.21 C ATOM 0 H MET A 25 -5.797 -1.589 3.950 1.00 54.33 H new ATOM 0 HA MET A 25 -3.476 -2.120 2.126 1.00 71.21 H new ATOM 0 HB2 MET A 25 -5.352 -3.663 1.895 1.00 1.33 H new ATOM 0 HB3 MET A 25 -6.461 -2.316 1.734 1.00 1.33 H new ATOM 0 HG2 MET A 25 -6.133 -3.102 -0.447 1.00 14.45 H new ATOM 0 HG3 MET A 25 -5.187 -1.630 -0.344 1.00 14.45 H new ATOM 0 HE1 MET A 25 -3.505 -4.284 -2.894 1.00 31.21 H new ATOM 0 HE2 MET A 25 -5.151 -4.610 -2.300 1.00 31.21 H new ATOM 0 HE3 MET A 25 -4.687 -2.959 -2.775 1.00 31.21 H new ATOM 396 N PRO A 26 -3.347 0.460 2.145 1.00 43.45 N ATOM 397 CA PRO A 26 -3.176 1.797 1.587 1.00 61.01 C ATOM 398 C PRO A 26 -3.190 1.757 0.048 1.00 30.45 C ATOM 399 O PRO A 26 -2.533 0.901 -0.545 1.00 70.42 O ATOM 400 CB PRO A 26 -1.836 2.312 2.127 1.00 75.15 C ATOM 401 CG PRO A 26 -1.175 1.184 2.905 1.00 52.30 C ATOM 402 CD PRO A 26 -2.179 0.040 2.906 1.00 64.54 C ATOM 0 HA PRO A 26 -3.992 2.459 1.876 1.00 61.01 H new ATOM 0 HB2 PRO A 26 -1.195 2.636 1.307 1.00 75.15 H new ATOM 0 HB3 PRO A 26 -1.992 3.178 2.771 1.00 75.15 H new ATOM 0 HG2 PRO A 26 -0.238 0.882 2.437 1.00 52.30 H new ATOM 0 HG3 PRO A 26 -0.937 1.497 3.922 1.00 52.30 H new ATOM 0 HD2 PRO A 26 -1.738 -0.853 2.464 1.00 64.54 H new ATOM 0 HD3 PRO A 26 -2.462 -0.216 3.927 1.00 64.54 H new ATOM 410 N ILE A 27 -3.882 2.698 -0.604 1.00 53.21 N ATOM 411 CA ILE A 27 -4.026 2.804 -2.061 1.00 75.30 C ATOM 412 C ILE A 27 -3.952 4.298 -2.393 1.00 40.33 C ATOM 413 O ILE A 27 -4.647 5.080 -1.737 1.00 44.23 O ATOM 414 CB ILE A 27 -5.378 2.188 -2.510 1.00 42.44 C ATOM 415 CG1 ILE A 27 -5.444 0.671 -2.220 1.00 33.25 C ATOM 416 CG2 ILE A 27 -5.639 2.431 -4.012 1.00 50.14 C ATOM 417 CD1 ILE A 27 -6.878 0.150 -2.152 1.00 43.22 C ATOM 0 H ILE A 27 -4.379 3.439 -0.109 1.00 53.21 H new ATOM 0 HA ILE A 27 -3.243 2.257 -2.587 1.00 75.30 H new ATOM 0 HB ILE A 27 -6.152 2.689 -1.928 1.00 42.44 H new ATOM 0 HG12 ILE A 27 -4.902 0.132 -2.997 1.00 33.25 H new ATOM 0 HG13 ILE A 27 -4.940 0.463 -1.276 1.00 33.25 H new ATOM 0 HG21 ILE A 27 -6.594 1.986 -4.292 1.00 50.14 H new ATOM 0 HG22 ILE A 27 -5.667 3.503 -4.208 1.00 50.14 H new ATOM 0 HG23 ILE A 27 -4.841 1.976 -4.598 1.00 50.14 H new ATOM 0 HD11 ILE A 27 -6.867 -0.920 -1.946 1.00 43.22 H new ATOM 0 HD12 ILE A 27 -7.416 0.667 -1.357 1.00 43.22 H new ATOM 0 HD13 ILE A 27 -7.376 0.331 -3.104 1.00 43.22 H new ATOM 429 N CYS A 28 -3.146 4.698 -3.383 1.00 15.23 N ATOM 430 CA CYS A 28 -3.058 6.085 -3.835 1.00 60.10 C ATOM 431 C CYS A 28 -4.285 6.393 -4.696 1.00 3.03 C ATOM 432 O CYS A 28 -4.650 5.577 -5.543 1.00 71.03 O ATOM 433 CB CYS A 28 -1.806 6.307 -4.707 1.00 3.05 C ATOM 434 SG CYS A 28 -0.399 5.248 -4.258 1.00 52.40 S ATOM 0 H CYS A 28 -2.534 4.062 -3.894 1.00 15.23 H new ATOM 0 HA CYS A 28 -3.004 6.731 -2.959 1.00 60.10 H new ATOM 0 HB2 CYS A 28 -2.065 6.127 -5.750 1.00 3.05 H new ATOM 0 HB3 CYS A 28 -1.502 7.351 -4.630 1.00 3.05 H new ATOM 0 HG CYS A 28 0.604 5.503 -5.044 1.00 52.40 H new ATOM 440 N MET A 29 -4.881 7.580 -4.558 1.00 72.45 N ATOM 441 CA MET A 29 -6.086 7.931 -5.315 1.00 3.45 C ATOM 442 C MET A 29 -5.776 8.109 -6.804 1.00 64.05 C ATOM 443 O MET A 29 -6.685 8.124 -7.632 1.00 15.12 O ATOM 444 CB MET A 29 -6.724 9.203 -4.727 1.00 71.33 C ATOM 445 CG MET A 29 -8.211 9.332 -5.075 1.00 32.51 C ATOM 446 SD MET A 29 -9.071 10.687 -4.219 1.00 44.33 S ATOM 447 CE MET A 29 -9.170 9.989 -2.545 1.00 10.45 C ATOM 0 H MET A 29 -4.550 8.313 -3.931 1.00 72.45 H new ATOM 0 HA MET A 29 -6.798 7.110 -5.229 1.00 3.45 H new ATOM 0 HB2 MET A 29 -6.608 9.196 -3.643 1.00 71.33 H new ATOM 0 HB3 MET A 29 -6.190 10.078 -5.099 1.00 71.33 H new ATOM 0 HG2 MET A 29 -8.308 9.479 -6.151 1.00 32.51 H new ATOM 0 HG3 MET A 29 -8.710 8.393 -4.835 1.00 32.51 H new ATOM 0 HE1 MET A 29 -9.780 10.637 -1.916 1.00 10.45 H new ATOM 0 HE2 MET A 29 -9.621 8.998 -2.590 1.00 10.45 H new ATOM 0 HE3 MET A 29 -8.168 9.912 -2.123 1.00 10.45 H new ATOM 457 N ASP A 30 -4.501 8.291 -7.149 1.00 53.44 N ATOM 458 CA ASP A 30 -4.019 8.454 -8.514 1.00 41.41 C ATOM 459 C ASP A 30 -3.923 7.120 -9.243 1.00 73.45 C ATOM 460 O ASP A 30 -4.032 7.099 -10.471 1.00 75.35 O ATOM 461 CB ASP A 30 -2.678 9.209 -8.467 1.00 55.32 C ATOM 462 CG ASP A 30 -1.442 8.311 -8.550 1.00 61.13 C ATOM 463 OD1 ASP A 30 -1.125 7.805 -9.648 1.00 14.42 O ATOM 464 OD2 ASP A 30 -0.848 8.112 -7.468 1.00 1.21 O ATOM 0 H ASP A 30 -3.752 8.330 -6.458 1.00 53.44 H new ATOM 0 HA ASP A 30 -4.732 9.042 -9.092 1.00 41.41 H new ATOM 0 HB2 ASP A 30 -2.649 9.923 -9.290 1.00 55.32 H new ATOM 0 HB3 ASP A 30 -2.632 9.785 -7.543 1.00 55.32 H new ATOM 469 N VAL A 31 -3.780 6.014 -8.507 1.00 31.40 N ATOM 470 CA VAL A 31 -3.415 4.743 -9.097 1.00 43.11 C ATOM 471 C VAL A 31 -4.677 4.040 -9.591 1.00 14.12 C ATOM 472 O VAL A 31 -5.281 3.223 -8.886 1.00 43.45 O ATOM 473 CB VAL A 31 -2.537 3.926 -8.118 1.00 15.12 C ATOM 474 CG1 VAL A 31 -2.270 2.489 -8.571 1.00 12.24 C ATOM 475 CG2 VAL A 31 -1.157 4.574 -7.952 1.00 30.43 C ATOM 0 H VAL A 31 -3.915 5.984 -7.496 1.00 31.40 H new ATOM 0 HA VAL A 31 -2.786 4.879 -9.977 1.00 43.11 H new ATOM 0 HB VAL A 31 -3.110 3.913 -7.191 1.00 15.12 H new ATOM 0 HG11 VAL A 31 -1.648 1.984 -7.832 1.00 12.24 H new ATOM 0 HG12 VAL A 31 -3.216 1.958 -8.673 1.00 12.24 H new ATOM 0 HG13 VAL A 31 -1.755 2.500 -9.531 1.00 12.24 H new ATOM 0 HG21 VAL A 31 -0.558 3.982 -7.260 1.00 30.43 H new ATOM 0 HG22 VAL A 31 -0.657 4.617 -8.919 1.00 30.43 H new ATOM 0 HG23 VAL A 31 -1.274 5.584 -7.559 1.00 30.43 H new ATOM 485 N ARG A 32 -5.095 4.351 -10.822 1.00 13.11 N ATOM 486 CA ARG A 32 -6.214 3.665 -11.465 1.00 3.34 C ATOM 487 C ARG A 32 -5.976 2.160 -11.554 1.00 33.22 C ATOM 488 O ARG A 32 -6.946 1.418 -11.421 1.00 14.32 O ATOM 489 CB ARG A 32 -6.542 4.292 -12.838 1.00 31.23 C ATOM 490 CG ARG A 32 -7.905 5.007 -12.826 1.00 24.03 C ATOM 491 CD ARG A 32 -7.886 6.291 -11.984 1.00 21.41 C ATOM 492 NE ARG A 32 -9.253 6.777 -11.719 1.00 60.44 N ATOM 493 CZ ARG A 32 -9.681 7.322 -10.570 1.00 61.55 C ATOM 494 NH1 ARG A 32 -8.856 7.531 -9.551 1.00 3.25 N ATOM 495 NH2 ARG A 32 -10.952 7.647 -10.392 1.00 21.14 N ATOM 0 H ARG A 32 -4.669 5.080 -11.395 1.00 13.11 H new ATOM 0 HA ARG A 32 -7.093 3.802 -10.836 1.00 3.34 H new ATOM 0 HB2 ARG A 32 -5.761 5.002 -13.110 1.00 31.23 H new ATOM 0 HB3 ARG A 32 -6.546 3.514 -13.602 1.00 31.23 H new ATOM 0 HG2 ARG A 32 -8.193 5.251 -13.849 1.00 24.03 H new ATOM 0 HG3 ARG A 32 -8.664 4.330 -12.434 1.00 24.03 H new ATOM 0 HD2 ARG A 32 -7.375 6.102 -11.040 1.00 21.41 H new ATOM 0 HD3 ARG A 32 -7.318 7.062 -12.505 1.00 21.41 H new ATOM 0 HE ARG A 32 -9.932 6.691 -12.475 1.00 60.44 H new ATOM 0 HH11 ARG A 32 -7.872 7.276 -9.631 1.00 3.25 H new ATOM 0 HH12 ARG A 32 -9.206 7.947 -8.688 1.00 3.25 H new ATOM 0 HH21 ARG A 32 -11.629 7.484 -11.137 1.00 21.14 H new ATOM 0 HH22 ARG A 32 -11.254 8.060 -9.510 1.00 21.14 H new ATOM 509 N ALA A 33 -4.726 1.695 -11.680 1.00 14.01 N ATOM 510 CA ALA A 33 -4.415 0.271 -11.802 1.00 35.00 C ATOM 511 C ALA A 33 -5.005 -0.566 -10.661 1.00 45.21 C ATOM 512 O ALA A 33 -5.504 -1.674 -10.883 1.00 70.31 O ATOM 513 CB ALA A 33 -2.896 0.075 -11.858 1.00 3.34 C ATOM 0 H ALA A 33 -3.904 2.299 -11.700 1.00 14.01 H new ATOM 0 HA ALA A 33 -4.875 -0.079 -12.726 1.00 35.00 H new ATOM 0 HB1 ALA A 33 -2.669 -0.987 -11.949 1.00 3.34 H new ATOM 0 HB2 ALA A 33 -2.492 0.607 -12.719 1.00 3.34 H new ATOM 0 HB3 ALA A 33 -2.445 0.466 -10.946 1.00 3.34 H new ATOM 519 N ILE A 34 -4.931 -0.034 -9.441 1.00 70.52 N ATOM 520 CA ILE A 34 -5.366 -0.687 -8.214 1.00 61.32 C ATOM 521 C ILE A 34 -6.787 -0.228 -7.900 1.00 20.23 C ATOM 522 O ILE A 34 -7.648 -1.053 -7.591 1.00 22.20 O ATOM 523 CB ILE A 34 -4.374 -0.344 -7.081 1.00 10.33 C ATOM 524 CG1 ILE A 34 -2.921 -0.750 -7.420 1.00 31.43 C ATOM 525 CG2 ILE A 34 -4.799 -0.944 -5.731 1.00 71.44 C ATOM 526 CD1 ILE A 34 -2.667 -2.246 -7.622 1.00 3.41 C ATOM 0 H ILE A 34 -4.552 0.899 -9.278 1.00 70.52 H new ATOM 0 HA ILE A 34 -5.377 -1.772 -8.322 1.00 61.32 H new ATOM 0 HB ILE A 34 -4.400 0.742 -6.988 1.00 10.33 H new ATOM 0 HG12 ILE A 34 -2.622 -0.226 -8.328 1.00 31.43 H new ATOM 0 HG13 ILE A 34 -2.271 -0.397 -6.619 1.00 31.43 H new ATOM 0 HG21 ILE A 34 -4.069 -0.675 -4.967 1.00 71.44 H new ATOM 0 HG22 ILE A 34 -5.778 -0.554 -5.452 1.00 71.44 H new ATOM 0 HG23 ILE A 34 -4.852 -2.029 -5.816 1.00 71.44 H new ATOM 0 HD11 ILE A 34 -1.614 -2.408 -7.854 1.00 3.41 H new ATOM 0 HD12 ILE A 34 -2.925 -2.785 -6.710 1.00 3.41 H new ATOM 0 HD13 ILE A 34 -3.281 -2.611 -8.445 1.00 3.41 H new ATOM 538 N MET A 35 -7.054 1.078 -8.006 1.00 23.31 N ATOM 539 CA MET A 35 -8.359 1.663 -7.733 1.00 13.42 C ATOM 540 C MET A 35 -9.463 0.973 -8.547 1.00 51.34 C ATOM 541 O MET A 35 -10.554 0.730 -8.021 1.00 21.13 O ATOM 542 CB MET A 35 -8.276 3.173 -8.005 1.00 23.54 C ATOM 543 CG MET A 35 -9.588 3.888 -7.694 1.00 74.50 C ATOM 544 SD MET A 35 -9.494 5.463 -6.797 1.00 42.33 S ATOM 545 CE MET A 35 -8.566 4.947 -5.327 1.00 50.43 C ATOM 0 H MET A 35 -6.354 1.764 -8.289 1.00 23.31 H new ATOM 0 HA MET A 35 -8.629 1.509 -6.688 1.00 13.42 H new ATOM 0 HB2 MET A 35 -7.477 3.605 -7.403 1.00 23.54 H new ATOM 0 HB3 MET A 35 -8.013 3.338 -9.050 1.00 23.54 H new ATOM 0 HG2 MET A 35 -10.104 4.069 -8.637 1.00 74.50 H new ATOM 0 HG3 MET A 35 -10.212 3.208 -7.114 1.00 74.50 H new ATOM 0 HE1 MET A 35 -8.749 5.651 -4.515 1.00 50.43 H new ATOM 0 HE2 MET A 35 -8.889 3.951 -5.024 1.00 50.43 H new ATOM 0 HE3 MET A 35 -7.501 4.928 -5.557 1.00 50.43 H new ATOM 555 N ALA A 36 -9.173 0.597 -9.798 1.00 54.43 N ATOM 556 CA ALA A 36 -10.084 -0.157 -10.642 1.00 1.50 C ATOM 557 C ALA A 36 -10.512 -1.455 -9.959 1.00 22.14 C ATOM 558 O ALA A 36 -11.707 -1.729 -9.913 1.00 11.43 O ATOM 559 CB ALA A 36 -9.438 -0.446 -12.002 1.00 21.22 C ATOM 0 H ALA A 36 -8.285 0.815 -10.251 1.00 54.43 H new ATOM 0 HA ALA A 36 -10.977 0.446 -10.806 1.00 1.50 H new ATOM 0 HB1 ALA A 36 -10.133 -1.011 -12.622 1.00 21.22 H new ATOM 0 HB2 ALA A 36 -9.193 0.494 -12.496 1.00 21.22 H new ATOM 0 HB3 ALA A 36 -8.527 -1.027 -11.856 1.00 21.22 H new ATOM 565 N THR A 37 -9.590 -2.246 -9.393 1.00 52.42 N ATOM 566 CA THR A 37 -9.930 -3.521 -8.765 1.00 13.00 C ATOM 567 C THR A 37 -10.969 -3.309 -7.680 1.00 32.33 C ATOM 568 O THR A 37 -11.933 -4.076 -7.610 1.00 3.52 O ATOM 569 CB THR A 37 -8.680 -4.202 -8.182 1.00 70.11 C ATOM 570 OG1 THR A 37 -7.863 -4.608 -9.256 1.00 3.31 O ATOM 571 CG2 THR A 37 -9.018 -5.405 -7.280 1.00 34.24 C ATOM 0 H THR A 37 -8.596 -2.019 -9.360 1.00 52.42 H new ATOM 0 HA THR A 37 -10.345 -4.177 -9.530 1.00 13.00 H new ATOM 0 HB THR A 37 -8.162 -3.485 -7.545 1.00 70.11 H new ATOM 0 HG1 THR A 37 -7.609 -5.547 -9.137 1.00 3.31 H new ATOM 0 HG21 THR A 37 -8.096 -5.844 -6.898 1.00 34.24 H new ATOM 0 HG22 THR A 37 -9.634 -5.072 -6.445 1.00 34.24 H new ATOM 0 HG23 THR A 37 -9.563 -6.151 -7.858 1.00 34.24 H new ATOM 579 N ILE A 38 -10.787 -2.290 -6.840 1.00 20.15 N ATOM 580 CA ILE A 38 -11.703 -2.053 -5.748 1.00 41.44 C ATOM 581 C ILE A 38 -13.060 -1.686 -6.344 1.00 4.33 C ATOM 582 O ILE A 38 -14.048 -2.315 -5.986 1.00 5.21 O ATOM 583 CB ILE A 38 -11.119 -1.017 -4.769 1.00 3.41 C ATOM 584 CG1 ILE A 38 -10.005 -1.649 -3.898 1.00 61.13 C ATOM 585 CG2 ILE A 38 -12.218 -0.461 -3.838 1.00 50.22 C ATOM 586 CD1 ILE A 38 -8.660 -1.902 -4.587 1.00 43.24 C ATOM 0 H ILE A 38 -10.016 -1.625 -6.902 1.00 20.15 H new ATOM 0 HA ILE A 38 -11.851 -2.945 -5.140 1.00 41.44 H new ATOM 0 HB ILE A 38 -10.701 -0.206 -5.365 1.00 3.41 H new ATOM 0 HG12 ILE A 38 -9.832 -0.999 -3.040 1.00 61.13 H new ATOM 0 HG13 ILE A 38 -10.373 -2.598 -3.509 1.00 61.13 H new ATOM 0 HG21 ILE A 38 -11.782 0.269 -3.156 1.00 50.22 H new ATOM 0 HG22 ILE A 38 -12.993 0.019 -4.436 1.00 50.22 H new ATOM 0 HG23 ILE A 38 -12.656 -1.278 -3.264 1.00 50.22 H new ATOM 0 HD11 ILE A 38 -7.964 -2.346 -3.875 1.00 43.24 H new ATOM 0 HD12 ILE A 38 -8.803 -2.582 -5.426 1.00 43.24 H new ATOM 0 HD13 ILE A 38 -8.254 -0.958 -4.950 1.00 43.24 H new ATOM 598 N GLN A 39 -13.125 -0.729 -7.269 1.00 75.21 N ATOM 599 CA GLN A 39 -14.400 -0.272 -7.819 1.00 74.01 C ATOM 600 C GLN A 39 -15.070 -1.316 -8.739 1.00 60.20 C ATOM 601 O GLN A 39 -16.265 -1.217 -9.040 1.00 73.54 O ATOM 602 CB GLN A 39 -14.185 1.074 -8.519 1.00 41.34 C ATOM 603 CG GLN A 39 -13.805 2.165 -7.503 1.00 71.23 C ATOM 604 CD GLN A 39 -13.698 3.537 -8.157 1.00 13.15 C ATOM 605 OE1 GLN A 39 -12.649 4.290 -7.888 1.00 3.12 O flip ATOM 606 NE2 GLN A 39 -14.573 3.965 -8.901 1.00 75.42 N flip ATOM 0 H GLN A 39 -12.308 -0.255 -7.654 1.00 75.21 H new ATOM 0 HA GLN A 39 -15.103 -0.138 -6.997 1.00 74.01 H new ATOM 0 HB2 GLN A 39 -13.398 0.978 -9.267 1.00 41.34 H new ATOM 0 HB3 GLN A 39 -15.094 1.363 -9.047 1.00 41.34 H new ATOM 0 HG2 GLN A 39 -14.552 2.198 -6.709 1.00 71.23 H new ATOM 0 HG3 GLN A 39 -12.854 1.910 -7.035 1.00 71.23 H new ATOM 0 HE21 GLN A 39 -15.388 3.389 -9.114 1.00 75.42 H new ATOM 0 HE22 GLN A 39 -14.487 4.897 -9.307 1.00 75.42 H new ATOM 615 N ARG A 40 -14.332 -2.336 -9.186 1.00 64.25 N ATOM 616 CA ARG A 40 -14.868 -3.523 -9.850 1.00 62.33 C ATOM 617 C ARG A 40 -15.462 -4.478 -8.820 1.00 0.32 C ATOM 618 O ARG A 40 -16.592 -4.932 -8.983 1.00 22.15 O ATOM 619 CB ARG A 40 -13.763 -4.226 -10.662 1.00 51.43 C ATOM 620 CG ARG A 40 -13.304 -3.430 -11.901 1.00 22.34 C ATOM 621 CD ARG A 40 -13.463 -4.213 -13.200 1.00 54.21 C ATOM 622 NE ARG A 40 -14.877 -4.474 -13.518 1.00 61.15 N ATOM 623 CZ ARG A 40 -15.403 -5.612 -13.982 1.00 4.01 C ATOM 624 NH1 ARG A 40 -14.691 -6.733 -14.001 1.00 24.14 N ATOM 625 NH2 ARG A 40 -16.653 -5.618 -14.421 1.00 12.22 N ATOM 0 H ARG A 40 -13.317 -2.357 -9.092 1.00 64.25 H new ATOM 0 HA ARG A 40 -15.658 -3.215 -10.535 1.00 62.33 H new ATOM 0 HB2 ARG A 40 -12.904 -4.401 -10.014 1.00 51.43 H new ATOM 0 HB3 ARG A 40 -14.125 -5.203 -10.982 1.00 51.43 H new ATOM 0 HG2 ARG A 40 -13.879 -2.506 -11.967 1.00 22.34 H new ATOM 0 HG3 ARG A 40 -12.258 -3.147 -11.778 1.00 22.34 H new ATOM 0 HD2 ARG A 40 -13.005 -3.656 -14.017 1.00 54.21 H new ATOM 0 HD3 ARG A 40 -12.929 -5.160 -13.120 1.00 54.21 H new ATOM 0 HE ARG A 40 -15.526 -3.702 -13.368 1.00 61.15 H new ATOM 0 HH11 ARG A 40 -13.730 -6.733 -13.659 1.00 24.14 H new ATOM 0 HH12 ARG A 40 -15.105 -7.594 -14.358 1.00 24.14 H new ATOM 0 HH21 ARG A 40 -17.204 -4.760 -14.403 1.00 12.22 H new ATOM 0 HH22 ARG A 40 -17.064 -6.481 -14.777 1.00 12.22 H new ATOM 639 N LYS A 41 -14.684 -4.829 -7.793 1.00 42.53 N ATOM 640 CA LYS A 41 -15.026 -5.826 -6.781 1.00 71.22 C ATOM 641 C LYS A 41 -16.175 -5.309 -5.913 1.00 65.12 C ATOM 642 O LYS A 41 -17.197 -5.978 -5.785 1.00 60.24 O ATOM 643 CB LYS A 41 -13.746 -6.163 -5.982 1.00 32.43 C ATOM 644 CG LYS A 41 -13.746 -7.425 -5.097 1.00 42.43 C ATOM 645 CD LYS A 41 -14.765 -7.414 -3.951 1.00 12.23 C ATOM 646 CE LYS A 41 -14.325 -8.322 -2.791 1.00 25.42 C ATOM 647 NZ LYS A 41 -14.633 -9.754 -2.977 1.00 54.52 N ATOM 0 H LYS A 41 -13.766 -4.411 -7.640 1.00 42.53 H new ATOM 0 HA LYS A 41 -15.385 -6.751 -7.232 1.00 71.22 H new ATOM 0 HB2 LYS A 41 -12.925 -6.256 -6.693 1.00 32.43 H new ATOM 0 HB3 LYS A 41 -13.519 -5.309 -5.343 1.00 32.43 H new ATOM 0 HG2 LYS A 41 -13.941 -8.292 -5.728 1.00 42.43 H new ATOM 0 HG3 LYS A 41 -12.749 -7.555 -4.675 1.00 42.43 H new ATOM 0 HD2 LYS A 41 -14.893 -6.394 -3.587 1.00 12.23 H new ATOM 0 HD3 LYS A 41 -15.735 -7.743 -4.323 1.00 12.23 H new ATOM 0 HE2 LYS A 41 -13.250 -8.211 -2.648 1.00 25.42 H new ATOM 0 HE3 LYS A 41 -14.805 -7.977 -1.875 1.00 25.42 H new ATOM 0 HZ1 LYS A 41 -14.302 -10.291 -2.150 1.00 54.52 H new ATOM 0 HZ2 LYS A 41 -15.660 -9.877 -3.082 1.00 54.52 H new ATOM 0 HZ3 LYS A 41 -14.153 -10.104 -3.831 1.00 54.52 H new ATOM 661 N TYR A 42 -16.013 -4.139 -5.299 1.00 70.24 N ATOM 662 CA TYR A 42 -16.879 -3.566 -4.286 1.00 15.12 C ATOM 663 C TYR A 42 -17.691 -2.417 -4.895 1.00 54.33 C ATOM 664 O TYR A 42 -17.141 -1.538 -5.564 1.00 42.44 O ATOM 665 CB TYR A 42 -16.013 -2.988 -3.154 1.00 41.51 C ATOM 666 CG TYR A 42 -15.026 -3.938 -2.507 1.00 30.13 C ATOM 667 CD1 TYR A 42 -15.422 -4.844 -1.504 1.00 23.53 C ATOM 668 CD2 TYR A 42 -13.684 -3.903 -2.925 1.00 34.51 C ATOM 669 CE1 TYR A 42 -14.469 -5.712 -0.934 1.00 74.11 C ATOM 670 CE2 TYR A 42 -12.726 -4.744 -2.344 1.00 64.13 C ATOM 671 CZ TYR A 42 -13.115 -5.650 -1.339 1.00 2.44 C ATOM 672 OH TYR A 42 -12.177 -6.472 -0.808 1.00 52.34 O ATOM 0 H TYR A 42 -15.222 -3.532 -5.513 1.00 70.24 H new ATOM 0 HA TYR A 42 -17.546 -4.339 -3.905 1.00 15.12 H new ATOM 0 HB2 TYR A 42 -15.459 -2.137 -3.549 1.00 41.51 H new ATOM 0 HB3 TYR A 42 -16.676 -2.605 -2.379 1.00 41.51 H new ATOM 0 HD1 TYR A 42 -16.450 -4.873 -1.174 1.00 23.53 H new ATOM 0 HD2 TYR A 42 -13.387 -3.218 -3.705 1.00 34.51 H new ATOM 0 HE1 TYR A 42 -14.774 -6.428 -0.185 1.00 74.11 H new ATOM 0 HE2 TYR A 42 -11.696 -4.698 -2.665 1.00 64.13 H new ATOM 0 HH TYR A 42 -12.498 -6.825 0.048 1.00 52.34 H new ATOM 682 N LYS A 43 -18.989 -2.363 -4.597 1.00 32.22 N ATOM 683 CA LYS A 43 -19.887 -1.293 -5.053 1.00 64.21 C ATOM 684 C LYS A 43 -20.350 -0.350 -3.948 1.00 0.12 C ATOM 685 O LYS A 43 -20.514 0.839 -4.223 1.00 70.20 O ATOM 686 CB LYS A 43 -21.102 -1.883 -5.771 1.00 2.05 C ATOM 687 CG LYS A 43 -20.699 -2.617 -7.059 1.00 24.02 C ATOM 688 CD LYS A 43 -21.932 -2.920 -7.911 1.00 62.03 C ATOM 689 CE LYS A 43 -22.416 -1.656 -8.628 1.00 40.43 C ATOM 690 NZ LYS A 43 -23.770 -1.818 -9.188 1.00 25.03 N ATOM 0 H LYS A 43 -19.455 -3.068 -4.026 1.00 32.22 H new ATOM 0 HA LYS A 43 -19.295 -0.690 -5.741 1.00 64.21 H new ATOM 0 HB2 LYS A 43 -21.619 -2.574 -5.105 1.00 2.05 H new ATOM 0 HB3 LYS A 43 -21.805 -1.086 -6.011 1.00 2.05 H new ATOM 0 HG2 LYS A 43 -19.998 -2.007 -7.628 1.00 24.02 H new ATOM 0 HG3 LYS A 43 -20.185 -3.545 -6.810 1.00 24.02 H new ATOM 0 HD2 LYS A 43 -21.694 -3.691 -8.643 1.00 62.03 H new ATOM 0 HD3 LYS A 43 -22.729 -3.314 -7.280 1.00 62.03 H new ATOM 0 HE2 LYS A 43 -22.411 -0.819 -7.929 1.00 40.43 H new ATOM 0 HE3 LYS A 43 -21.721 -1.406 -9.429 1.00 40.43 H new ATOM 0 HZ1 LYS A 43 -24.056 -0.939 -9.664 1.00 25.03 H new ATOM 0 HZ2 LYS A 43 -23.771 -2.599 -9.875 1.00 25.03 H new ATOM 0 HZ3 LYS A 43 -24.440 -2.031 -8.421 1.00 25.03 H new ATOM 704 N GLY A 44 -20.549 -0.822 -2.714 1.00 61.41 N ATOM 705 CA GLY A 44 -21.073 0.043 -1.656 1.00 54.01 C ATOM 706 C GLY A 44 -20.089 1.139 -1.235 1.00 24.32 C ATOM 707 O GLY A 44 -20.507 2.165 -0.708 1.00 32.11 O ATOM 0 H GLY A 44 -20.359 -1.782 -2.427 1.00 61.41 H new ATOM 0 HA2 GLY A 44 -21.999 0.506 -1.998 1.00 54.01 H new ATOM 0 HA3 GLY A 44 -21.323 -0.566 -0.787 1.00 54.01 H new ATOM 711 N ILE A 45 -18.795 0.922 -1.473 1.00 1.22 N ATOM 712 CA ILE A 45 -17.683 1.785 -1.091 1.00 35.55 C ATOM 713 C ILE A 45 -17.783 3.179 -1.729 1.00 41.54 C ATOM 714 O ILE A 45 -18.023 3.296 -2.934 1.00 2.31 O ATOM 715 CB ILE A 45 -16.372 1.032 -1.437 1.00 2.42 C ATOM 716 CG1 ILE A 45 -15.103 1.793 -1.015 1.00 50.24 C ATOM 717 CG2 ILE A 45 -16.289 0.508 -2.882 1.00 34.15 C ATOM 718 CD1 ILE A 45 -14.484 2.693 -2.085 1.00 21.13 C ATOM 0 H ILE A 45 -18.479 0.088 -1.968 1.00 1.22 H new ATOM 0 HA ILE A 45 -17.704 1.987 -0.020 1.00 35.55 H new ATOM 0 HB ILE A 45 -16.419 0.136 -0.819 1.00 2.42 H new ATOM 0 HG12 ILE A 45 -15.341 2.405 -0.145 1.00 50.24 H new ATOM 0 HG13 ILE A 45 -14.354 1.067 -0.699 1.00 50.24 H new ATOM 0 HG21 ILE A 45 -15.338 -0.004 -3.029 1.00 34.15 H new ATOM 0 HG22 ILE A 45 -17.108 -0.188 -3.064 1.00 34.15 H new ATOM 0 HG23 ILE A 45 -16.363 1.344 -3.577 1.00 34.15 H new ATOM 0 HD11 ILE A 45 -13.596 3.180 -1.682 1.00 21.13 H new ATOM 0 HD12 ILE A 45 -14.206 2.091 -2.950 1.00 21.13 H new ATOM 0 HD13 ILE A 45 -15.208 3.450 -2.387 1.00 21.13 H new ATOM 730 N LYS A 46 -17.505 4.233 -0.957 1.00 2.03 N ATOM 731 CA LYS A 46 -17.375 5.616 -1.423 1.00 14.22 C ATOM 732 C LYS A 46 -15.911 6.035 -1.314 1.00 20.44 C ATOM 733 O LYS A 46 -15.284 5.794 -0.283 1.00 22.44 O ATOM 734 CB LYS A 46 -18.323 6.497 -0.592 1.00 12.12 C ATOM 735 CG LYS A 46 -18.347 7.987 -0.985 1.00 11.54 C ATOM 736 CD LYS A 46 -17.464 8.871 -0.085 1.00 45.20 C ATOM 737 CE LYS A 46 -17.571 10.334 -0.541 1.00 43.44 C ATOM 738 NZ LYS A 46 -16.766 11.267 0.276 1.00 75.12 N ATOM 0 H LYS A 46 -17.359 4.143 0.048 1.00 2.03 H new ATOM 0 HA LYS A 46 -17.661 5.725 -2.469 1.00 14.22 H new ATOM 0 HB2 LYS A 46 -19.334 6.098 -0.679 1.00 12.12 H new ATOM 0 HB3 LYS A 46 -18.039 6.419 0.458 1.00 12.12 H new ATOM 0 HG2 LYS A 46 -18.015 8.088 -2.018 1.00 11.54 H new ATOM 0 HG3 LYS A 46 -19.374 8.350 -0.943 1.00 11.54 H new ATOM 0 HD2 LYS A 46 -17.779 8.779 0.955 1.00 45.20 H new ATOM 0 HD3 LYS A 46 -16.427 8.538 -0.135 1.00 45.20 H new ATOM 0 HE2 LYS A 46 -17.252 10.406 -1.581 1.00 43.44 H new ATOM 0 HE3 LYS A 46 -18.616 10.642 -0.506 1.00 43.44 H new ATOM 0 HZ1 LYS A 46 -17.187 12.217 0.234 1.00 75.12 H new ATOM 0 HZ2 LYS A 46 -16.749 10.939 1.263 1.00 75.12 H new ATOM 0 HZ3 LYS A 46 -15.795 11.303 -0.094 1.00 75.12 H new ATOM 752 N ILE A 47 -15.367 6.642 -2.371 1.00 51.01 N ATOM 753 CA ILE A 47 -13.992 7.123 -2.443 1.00 40.01 C ATOM 754 C ILE A 47 -13.899 8.412 -1.623 1.00 2.22 C ATOM 755 O ILE A 47 -14.696 9.334 -1.816 1.00 13.54 O ATOM 756 CB ILE A 47 -13.581 7.371 -3.918 1.00 0.53 C ATOM 757 CG1 ILE A 47 -13.846 6.177 -4.866 1.00 64.43 C ATOM 758 CG2 ILE A 47 -12.105 7.804 -4.012 1.00 30.14 C ATOM 759 CD1 ILE A 47 -13.041 4.914 -4.541 1.00 11.24 C ATOM 0 H ILE A 47 -15.892 6.816 -3.228 1.00 51.01 H new ATOM 0 HA ILE A 47 -13.308 6.378 -2.037 1.00 40.01 H new ATOM 0 HB ILE A 47 -14.228 8.178 -4.262 1.00 0.53 H new ATOM 0 HG12 ILE A 47 -14.908 5.933 -4.834 1.00 64.43 H new ATOM 0 HG13 ILE A 47 -13.620 6.484 -5.887 1.00 64.43 H new ATOM 0 HG21 ILE A 47 -11.841 7.972 -5.056 1.00 30.14 H new ATOM 0 HG22 ILE A 47 -11.960 8.725 -3.448 1.00 30.14 H new ATOM 0 HG23 ILE A 47 -11.469 7.021 -3.598 1.00 30.14 H new ATOM 0 HD11 ILE A 47 -13.290 4.130 -5.256 1.00 11.24 H new ATOM 0 HD12 ILE A 47 -11.976 5.136 -4.603 1.00 11.24 H new ATOM 0 HD13 ILE A 47 -13.284 4.577 -3.533 1.00 11.24 H new ATOM 771 N GLN A 48 -12.901 8.494 -0.751 1.00 34.22 N ATOM 772 CA GLN A 48 -12.511 9.679 0.006 1.00 25.24 C ATOM 773 C GLN A 48 -11.021 9.592 0.325 1.00 45.23 C ATOM 774 O GLN A 48 -10.363 8.679 -0.151 1.00 55.12 O ATOM 775 CB GLN A 48 -13.382 9.821 1.262 1.00 11.42 C ATOM 776 CG GLN A 48 -13.365 8.593 2.174 1.00 52.43 C ATOM 777 CD GLN A 48 -14.069 8.900 3.489 1.00 22.22 C ATOM 778 OE1 GLN A 48 -15.121 9.529 3.514 1.00 62.22 O ATOM 779 NE2 GLN A 48 -13.489 8.508 4.602 1.00 24.40 N ATOM 0 H GLN A 48 -12.309 7.691 -0.541 1.00 34.22 H new ATOM 0 HA GLN A 48 -12.675 10.580 -0.584 1.00 25.24 H new ATOM 0 HB2 GLN A 48 -13.043 10.687 1.830 1.00 11.42 H new ATOM 0 HB3 GLN A 48 -14.410 10.021 0.958 1.00 11.42 H new ATOM 0 HG2 GLN A 48 -13.856 7.756 1.678 1.00 52.43 H new ATOM 0 HG3 GLN A 48 -12.336 8.289 2.367 1.00 52.43 H new ATOM 0 HE21 GLN A 48 -12.614 7.985 4.564 1.00 24.40 H new ATOM 0 HE22 GLN A 48 -13.914 8.726 5.503 1.00 24.40 H new ATOM 788 N GLU A 49 -10.477 10.543 1.080 1.00 11.53 N ATOM 789 CA GLU A 49 -9.048 10.635 1.410 1.00 51.02 C ATOM 790 C GLU A 49 -8.759 10.147 2.841 1.00 3.44 C ATOM 791 O GLU A 49 -7.678 10.395 3.380 1.00 21.44 O ATOM 792 CB GLU A 49 -8.567 12.086 1.256 1.00 1.21 C ATOM 793 CG GLU A 49 -8.786 12.671 -0.143 1.00 74.14 C ATOM 794 CD GLU A 49 -8.435 14.162 -0.235 1.00 73.42 C ATOM 795 OE1 GLU A 49 -8.490 14.880 0.794 1.00 14.21 O ATOM 796 OE2 GLU A 49 -8.131 14.633 -1.353 1.00 11.54 O ATOM 0 H GLU A 49 -11.029 11.294 1.493 1.00 11.53 H new ATOM 0 HA GLU A 49 -8.508 9.989 0.718 1.00 51.02 H new ATOM 0 HB2 GLU A 49 -9.086 12.709 1.984 1.00 1.21 H new ATOM 0 HB3 GLU A 49 -7.505 12.133 1.496 1.00 1.21 H new ATOM 0 HG2 GLU A 49 -8.181 12.117 -0.861 1.00 74.14 H new ATOM 0 HG3 GLU A 49 -9.828 12.531 -0.429 1.00 74.14 H new ATOM 803 N GLY A 50 -9.746 9.522 3.477 1.00 22.55 N ATOM 804 CA GLY A 50 -9.698 9.037 4.853 1.00 61.40 C ATOM 805 C GLY A 50 -10.138 7.581 4.931 1.00 15.23 C ATOM 806 O GLY A 50 -10.579 7.021 3.927 1.00 72.34 O ATOM 0 H GLY A 50 -10.641 9.331 3.027 1.00 22.55 H new ATOM 0 HA2 GLY A 50 -8.685 9.136 5.243 1.00 61.40 H new ATOM 0 HA3 GLY A 50 -10.343 9.650 5.482 1.00 61.40 H new ATOM 810 N ILE A 51 -10.047 6.982 6.125 1.00 24.23 N ATOM 811 CA ILE A 51 -10.407 5.588 6.401 1.00 23.54 C ATOM 812 C ILE A 51 -11.812 5.308 5.866 1.00 73.14 C ATOM 813 O ILE A 51 -12.691 6.163 5.968 1.00 60.43 O ATOM 814 CB ILE A 51 -10.332 5.308 7.924 1.00 11.10 C ATOM 815 CG1 ILE A 51 -8.919 5.458 8.533 1.00 13.31 C ATOM 816 CG2 ILE A 51 -10.924 3.945 8.328 1.00 45.05 C ATOM 817 CD1 ILE A 51 -7.956 4.294 8.269 1.00 30.23 C ATOM 0 H ILE A 51 -9.709 7.473 6.953 1.00 24.23 H new ATOM 0 HA ILE A 51 -9.702 4.925 5.900 1.00 23.54 H new ATOM 0 HB ILE A 51 -10.956 6.096 8.347 1.00 11.10 H new ATOM 0 HG12 ILE A 51 -8.471 6.372 8.144 1.00 13.31 H new ATOM 0 HG13 ILE A 51 -9.019 5.586 9.611 1.00 13.31 H new ATOM 0 HG21 ILE A 51 -10.838 3.816 9.407 1.00 45.05 H new ATOM 0 HG22 ILE A 51 -11.975 3.905 8.041 1.00 45.05 H new ATOM 0 HG23 ILE A 51 -10.379 3.148 7.823 1.00 45.05 H new ATOM 0 HD11 ILE A 51 -6.995 4.502 8.740 1.00 30.23 H new ATOM 0 HD12 ILE A 51 -8.372 3.376 8.684 1.00 30.23 H new ATOM 0 HD13 ILE A 51 -7.815 4.175 7.195 1.00 30.23 H new ATOM 829 N VAL A 52 -12.014 4.108 5.323 1.00 12.44 N ATOM 830 CA VAL A 52 -13.292 3.626 4.833 1.00 33.40 C ATOM 831 C VAL A 52 -13.422 2.190 5.335 1.00 64.25 C ATOM 832 O VAL A 52 -12.456 1.423 5.321 1.00 2.42 O ATOM 833 CB VAL A 52 -13.342 3.759 3.293 1.00 12.31 C ATOM 834 CG1 VAL A 52 -14.608 3.163 2.679 1.00 75.31 C ATOM 835 CG2 VAL A 52 -13.305 5.231 2.861 1.00 22.33 C ATOM 0 H VAL A 52 -11.263 3.427 5.211 1.00 12.44 H new ATOM 0 HA VAL A 52 -14.139 4.206 5.199 1.00 33.40 H new ATOM 0 HB VAL A 52 -12.468 3.212 2.939 1.00 12.31 H new ATOM 0 HG11 VAL A 52 -14.581 3.289 1.597 1.00 75.31 H new ATOM 0 HG12 VAL A 52 -14.664 2.101 2.920 1.00 75.31 H new ATOM 0 HG13 VAL A 52 -15.483 3.673 3.082 1.00 75.31 H new ATOM 0 HG21 VAL A 52 -13.341 5.292 1.773 1.00 22.33 H new ATOM 0 HG22 VAL A 52 -14.162 5.756 3.283 1.00 22.33 H new ATOM 0 HG23 VAL A 52 -12.385 5.692 3.220 1.00 22.33 H new ATOM 845 N ASP A 53 -14.600 1.821 5.828 1.00 54.41 N ATOM 846 CA ASP A 53 -14.957 0.477 6.277 1.00 53.14 C ATOM 847 C ASP A 53 -15.793 -0.185 5.192 1.00 70.13 C ATOM 848 O ASP A 53 -16.975 -0.498 5.361 1.00 12.21 O ATOM 849 CB ASP A 53 -15.688 0.479 7.638 1.00 10.33 C ATOM 850 CG ASP A 53 -16.945 1.333 7.707 1.00 53.40 C ATOM 851 OD1 ASP A 53 -16.848 2.551 7.427 1.00 33.50 O ATOM 852 OD2 ASP A 53 -18.007 0.825 8.143 1.00 32.30 O ATOM 0 H ASP A 53 -15.370 2.482 5.931 1.00 54.41 H new ATOM 0 HA ASP A 53 -14.043 -0.094 6.441 1.00 53.14 H new ATOM 0 HB2 ASP A 53 -15.954 -0.548 7.889 1.00 10.33 H new ATOM 0 HB3 ASP A 53 -14.993 0.825 8.403 1.00 10.33 H new ATOM 857 N TYR A 54 -15.161 -0.395 4.039 1.00 10.11 N ATOM 858 CA TYR A 54 -15.774 -1.137 2.950 1.00 64.35 C ATOM 859 C TYR A 54 -14.692 -1.841 2.151 1.00 22.52 C ATOM 860 O TYR A 54 -14.020 -1.204 1.344 1.00 12.42 O ATOM 861 CB TYR A 54 -16.659 -0.221 2.088 1.00 51.14 C ATOM 862 CG TYR A 54 -17.778 -0.978 1.396 1.00 43.44 C ATOM 863 CD1 TYR A 54 -17.492 -1.900 0.368 1.00 14.32 C ATOM 864 CD2 TYR A 54 -19.106 -0.808 1.836 1.00 63.41 C ATOM 865 CE1 TYR A 54 -18.528 -2.650 -0.213 1.00 44.14 C ATOM 866 CE2 TYR A 54 -20.138 -1.586 1.286 1.00 32.33 C ATOM 867 CZ TYR A 54 -19.850 -2.508 0.256 1.00 51.34 C ATOM 868 OH TYR A 54 -20.830 -3.265 -0.307 1.00 4.41 O ATOM 0 H TYR A 54 -14.219 -0.058 3.839 1.00 10.11 H new ATOM 0 HA TYR A 54 -16.439 -1.901 3.352 1.00 64.35 H new ATOM 0 HB2 TYR A 54 -17.087 0.561 2.716 1.00 51.14 H new ATOM 0 HB3 TYR A 54 -16.042 0.274 1.338 1.00 51.14 H new ATOM 0 HD1 TYR A 54 -16.475 -2.030 0.027 1.00 14.32 H new ATOM 0 HD2 TYR A 54 -19.331 -0.077 2.599 1.00 63.41 H new ATOM 0 HE1 TYR A 54 -18.312 -3.335 -1.019 1.00 44.14 H new ATOM 0 HE2 TYR A 54 -21.149 -1.479 1.650 1.00 32.33 H new ATOM 0 HH TYR A 54 -21.688 -3.059 0.119 1.00 4.41 H new ATOM 878 N GLY A 55 -14.451 -3.122 2.423 1.00 35.35 N ATOM 879 CA GLY A 55 -13.499 -3.944 1.693 1.00 32.13 C ATOM 880 C GLY A 55 -12.429 -4.556 2.583 1.00 43.43 C ATOM 881 O GLY A 55 -12.555 -5.722 2.942 1.00 52.32 O ATOM 0 H GLY A 55 -14.924 -3.624 3.174 1.00 35.35 H new ATOM 0 HA2 GLY A 55 -14.036 -4.742 1.181 1.00 32.13 H new ATOM 0 HA3 GLY A 55 -13.020 -3.338 0.924 1.00 32.13 H new ATOM 885 N VAL A 56 -11.388 -3.798 2.937 1.00 23.21 N ATOM 886 CA VAL A 56 -10.137 -4.321 3.513 1.00 14.30 C ATOM 887 C VAL A 56 -9.681 -3.513 4.753 1.00 11.55 C ATOM 888 O VAL A 56 -8.630 -3.760 5.346 1.00 72.41 O ATOM 889 CB VAL A 56 -9.094 -4.365 2.370 1.00 74.44 C ATOM 890 CG1 VAL A 56 -7.737 -4.908 2.798 1.00 63.52 C ATOM 891 CG2 VAL A 56 -9.544 -5.276 1.211 1.00 71.21 C ATOM 0 H VAL A 56 -11.387 -2.784 2.831 1.00 23.21 H new ATOM 0 HA VAL A 56 -10.278 -5.329 3.903 1.00 14.30 H new ATOM 0 HB VAL A 56 -9.009 -3.322 2.066 1.00 74.44 H new ATOM 0 HG11 VAL A 56 -7.059 -4.908 1.944 1.00 63.52 H new ATOM 0 HG12 VAL A 56 -7.326 -4.279 3.587 1.00 63.52 H new ATOM 0 HG13 VAL A 56 -7.853 -5.926 3.169 1.00 63.52 H new ATOM 0 HG21 VAL A 56 -8.782 -5.277 0.432 1.00 71.21 H new ATOM 0 HG22 VAL A 56 -9.686 -6.292 1.581 1.00 71.21 H new ATOM 0 HG23 VAL A 56 -10.483 -4.905 0.800 1.00 71.21 H new ATOM 901 N ARG A 57 -10.485 -2.541 5.181 1.00 13.31 N ATOM 902 CA ARG A 57 -10.070 -1.319 5.861 1.00 44.52 C ATOM 903 C ARG A 57 -9.069 -0.587 4.970 1.00 21.50 C ATOM 904 O ARG A 57 -7.849 -0.739 5.096 1.00 31.20 O ATOM 905 CB ARG A 57 -9.537 -1.557 7.290 1.00 13.23 C ATOM 906 CG ARG A 57 -10.462 -2.430 8.142 1.00 2.41 C ATOM 907 CD ARG A 57 -9.954 -2.564 9.583 1.00 63.24 C ATOM 908 NE ARG A 57 -10.949 -3.227 10.440 1.00 31.50 N ATOM 909 CZ ARG A 57 -11.936 -2.641 11.123 1.00 1.21 C ATOM 910 NH1 ARG A 57 -11.963 -1.320 11.291 1.00 73.41 N ATOM 911 NH2 ARG A 57 -12.910 -3.359 11.672 1.00 60.45 N ATOM 0 H ARG A 57 -11.496 -2.589 5.055 1.00 13.31 H new ATOM 0 HA ARG A 57 -10.948 -0.691 6.013 1.00 44.52 H new ATOM 0 HB2 ARG A 57 -8.556 -2.029 7.231 1.00 13.23 H new ATOM 0 HB3 ARG A 57 -9.399 -0.595 7.784 1.00 13.23 H new ATOM 0 HG2 ARG A 57 -11.463 -1.999 8.149 1.00 2.41 H new ATOM 0 HG3 ARG A 57 -10.543 -3.420 7.692 1.00 2.41 H new ATOM 0 HD2 ARG A 57 -9.025 -3.134 9.592 1.00 63.24 H new ATOM 0 HD3 ARG A 57 -9.726 -1.576 9.984 1.00 63.24 H new ATOM 0 HE ARG A 57 -10.878 -4.241 10.521 1.00 31.50 H new ATOM 0 HH11 ARG A 57 -11.223 -0.740 10.895 1.00 73.41 H new ATOM 0 HH12 ARG A 57 -12.724 -0.888 11.815 1.00 73.41 H new ATOM 0 HH21 ARG A 57 -12.912 -4.374 11.575 1.00 60.45 H new ATOM 0 HH22 ARG A 57 -13.656 -2.895 12.190 1.00 60.45 H new ATOM 925 N PHE A 58 -9.593 0.170 4.011 1.00 62.22 N ATOM 926 CA PHE A 58 -8.763 1.073 3.223 1.00 71.20 C ATOM 927 C PHE A 58 -8.531 2.339 4.046 1.00 2.41 C ATOM 928 O PHE A 58 -9.396 2.733 4.834 1.00 51.50 O ATOM 929 CB PHE A 58 -9.430 1.396 1.873 1.00 40.01 C ATOM 930 CG PHE A 58 -9.790 0.199 1.007 1.00 22.24 C ATOM 931 CD1 PHE A 58 -8.803 -0.731 0.632 1.00 32.34 C ATOM 932 CD2 PHE A 58 -11.109 0.025 0.545 1.00 34.13 C ATOM 933 CE1 PHE A 58 -9.136 -1.842 -0.162 1.00 72.32 C ATOM 934 CE2 PHE A 58 -11.439 -1.084 -0.255 1.00 3.31 C ATOM 935 CZ PHE A 58 -10.461 -2.034 -0.584 1.00 43.31 C ATOM 0 H PHE A 58 -10.582 0.176 3.762 1.00 62.22 H new ATOM 0 HA PHE A 58 -7.807 0.602 2.995 1.00 71.20 H new ATOM 0 HB2 PHE A 58 -10.338 1.967 2.066 1.00 40.01 H new ATOM 0 HB3 PHE A 58 -8.762 2.043 1.305 1.00 40.01 H new ATOM 0 HD1 PHE A 58 -7.783 -0.590 0.956 1.00 32.34 H new ATOM 0 HD2 PHE A 58 -11.870 0.746 0.806 1.00 34.13 H new ATOM 0 HE1 PHE A 58 -8.371 -2.549 -0.448 1.00 72.32 H new ATOM 0 HE2 PHE A 58 -12.449 -1.204 -0.617 1.00 3.31 H new ATOM 0 HZ PHE A 58 -10.726 -2.909 -1.159 1.00 43.31 H new ATOM 945 N PHE A 59 -7.403 3.022 3.806 1.00 15.13 N ATOM 946 CA PHE A 59 -7.142 4.339 4.397 1.00 53.32 C ATOM 947 C PHE A 59 -7.285 5.493 3.406 1.00 64.10 C ATOM 948 O PHE A 59 -7.683 6.583 3.804 1.00 34.33 O ATOM 949 CB PHE A 59 -5.751 4.325 5.047 1.00 0.43 C ATOM 950 CG PHE A 59 -5.184 5.683 5.417 1.00 2.40 C ATOM 951 CD1 PHE A 59 -5.946 6.585 6.183 1.00 4.32 C ATOM 952 CD2 PHE A 59 -3.941 6.090 4.891 1.00 14.32 C ATOM 953 CE1 PHE A 59 -5.527 7.916 6.329 1.00 15.01 C ATOM 954 CE2 PHE A 59 -3.520 7.421 5.041 1.00 0.33 C ATOM 955 CZ PHE A 59 -4.337 8.338 5.720 1.00 21.22 C ATOM 0 H PHE A 59 -6.654 2.681 3.203 1.00 15.13 H new ATOM 0 HA PHE A 59 -7.906 4.521 5.153 1.00 53.32 H new ATOM 0 HB2 PHE A 59 -5.797 3.713 5.948 1.00 0.43 H new ATOM 0 HB3 PHE A 59 -5.056 3.835 4.365 1.00 0.43 H new ATOM 0 HD1 PHE A 59 -6.856 6.252 6.660 1.00 4.32 H new ATOM 0 HD2 PHE A 59 -3.314 5.379 4.374 1.00 14.32 H new ATOM 0 HE1 PHE A 59 -6.118 8.611 6.907 1.00 15.01 H new ATOM 0 HE2 PHE A 59 -2.571 7.738 4.635 1.00 0.33 H new ATOM 0 HZ PHE A 59 -4.047 9.377 5.774 1.00 21.22 H new ATOM 965 N PHE A 60 -7.089 5.210 2.123 1.00 32.43 N ATOM 966 CA PHE A 60 -6.907 6.174 1.037 1.00 2.45 C ATOM 967 C PHE A 60 -5.914 7.313 1.370 1.00 4.34 C ATOM 968 O PHE A 60 -5.434 7.459 2.486 1.00 63.25 O ATOM 969 CB PHE A 60 -8.277 6.710 0.586 1.00 52.13 C ATOM 970 CG PHE A 60 -9.203 5.743 -0.145 1.00 14.03 C ATOM 971 CD1 PHE A 60 -8.716 4.963 -1.210 1.00 11.25 C ATOM 972 CD2 PHE A 60 -10.581 5.690 0.162 1.00 41.05 C ATOM 973 CE1 PHE A 60 -9.588 4.191 -1.983 1.00 61.01 C ATOM 974 CE2 PHE A 60 -11.451 4.879 -0.585 1.00 42.42 C ATOM 975 CZ PHE A 60 -10.956 4.137 -1.668 1.00 63.11 C ATOM 0 H PHE A 60 -7.050 4.246 1.791 1.00 32.43 H new ATOM 0 HA PHE A 60 -6.441 5.642 0.207 1.00 2.45 H new ATOM 0 HB2 PHE A 60 -8.802 7.077 1.468 1.00 52.13 H new ATOM 0 HB3 PHE A 60 -8.106 7.568 -0.064 1.00 52.13 H new ATOM 0 HD1 PHE A 60 -7.659 4.961 -1.432 1.00 11.25 H new ATOM 0 HD2 PHE A 60 -10.969 6.279 0.980 1.00 41.05 H new ATOM 0 HE1 PHE A 60 -9.208 3.633 -2.826 1.00 61.01 H new ATOM 0 HE2 PHE A 60 -12.498 4.827 -0.326 1.00 42.42 H new ATOM 0 HZ PHE A 60 -11.624 3.527 -2.257 1.00 63.11 H new ATOM 985 N TYR A 61 -5.514 8.067 0.347 1.00 15.11 N ATOM 986 CA TYR A 61 -4.612 9.224 0.345 1.00 63.35 C ATOM 987 C TYR A 61 -4.388 9.630 -1.111 1.00 50.00 C ATOM 988 O TYR A 61 -4.802 8.920 -2.033 1.00 33.01 O ATOM 989 CB TYR A 61 -3.253 8.958 1.018 1.00 1.15 C ATOM 990 CG TYR A 61 -2.475 7.793 0.445 1.00 4.13 C ATOM 991 CD1 TYR A 61 -2.689 6.504 0.956 1.00 40.10 C ATOM 992 CD2 TYR A 61 -1.542 7.989 -0.591 1.00 73.03 C ATOM 993 CE1 TYR A 61 -2.006 5.412 0.413 1.00 54.04 C ATOM 994 CE2 TYR A 61 -0.812 6.901 -1.099 1.00 22.32 C ATOM 995 CZ TYR A 61 -1.046 5.601 -0.600 1.00 63.22 C ATOM 996 OH TYR A 61 -0.319 4.541 -1.047 1.00 13.55 O ATOM 0 H TYR A 61 -5.845 7.865 -0.596 1.00 15.11 H new ATOM 0 HA TYR A 61 -5.083 10.014 0.929 1.00 63.35 H new ATOM 0 HB2 TYR A 61 -2.643 9.858 0.939 1.00 1.15 H new ATOM 0 HB3 TYR A 61 -3.419 8.778 2.080 1.00 1.15 H new ATOM 0 HD1 TYR A 61 -3.383 6.355 1.770 1.00 40.10 H new ATOM 0 HD2 TYR A 61 -1.387 8.978 -0.996 1.00 73.03 H new ATOM 0 HE1 TYR A 61 -2.216 4.416 0.773 1.00 54.04 H new ATOM 0 HE2 TYR A 61 -0.073 7.059 -1.870 1.00 22.32 H new ATOM 0 HH TYR A 61 -0.238 4.588 -2.022 1.00 13.55 H new ATOM 1006 N THR A 62 -3.721 10.748 -1.346 1.00 62.32 N ATOM 1007 CA THR A 62 -3.628 11.385 -2.644 1.00 14.32 C ATOM 1008 C THR A 62 -2.169 11.568 -3.068 1.00 33.02 C ATOM 1009 O THR A 62 -1.241 11.310 -2.300 1.00 45.32 O ATOM 1010 CB THR A 62 -4.421 12.706 -2.576 1.00 32.44 C ATOM 1011 OG1 THR A 62 -4.658 13.186 -1.260 1.00 65.34 O ATOM 1012 CG2 THR A 62 -5.805 12.518 -3.187 1.00 72.04 C ATOM 0 H THR A 62 -3.216 11.250 -0.616 1.00 62.32 H new ATOM 0 HA THR A 62 -4.067 10.757 -3.420 1.00 14.32 H new ATOM 0 HB THR A 62 -3.797 13.421 -3.112 1.00 32.44 H new ATOM 0 HG1 THR A 62 -3.804 13.293 -0.792 1.00 65.34 H new ATOM 0 HG21 THR A 62 -6.357 13.457 -3.134 1.00 72.04 H new ATOM 0 HG22 THR A 62 -5.705 12.215 -4.229 1.00 72.04 H new ATOM 0 HG23 THR A 62 -6.345 11.748 -2.635 1.00 72.04 H new ATOM 1020 N SER A 63 -1.971 12.019 -4.306 1.00 22.13 N ATOM 1021 CA SER A 63 -0.655 12.176 -4.908 1.00 21.20 C ATOM 1022 C SER A 63 -0.332 13.651 -5.168 1.00 12.32 C ATOM 1023 O SER A 63 0.764 13.979 -5.628 1.00 14.32 O ATOM 1024 CB SER A 63 -0.566 11.243 -6.116 1.00 71.45 C ATOM 1025 OG SER A 63 -0.870 9.929 -5.658 1.00 75.10 O ATOM 0 H SER A 63 -2.735 12.289 -4.926 1.00 22.13 H new ATOM 0 HA SER A 63 0.138 11.870 -4.226 1.00 21.20 H new ATOM 0 HB2 SER A 63 -1.266 11.551 -6.892 1.00 71.45 H new ATOM 0 HB3 SER A 63 0.431 11.276 -6.555 1.00 71.45 H new ATOM 0 HG SER A 63 -0.716 9.287 -6.382 1.00 75.10 H new ATOM 1031 N LYS A 64 -1.235 14.575 -4.796 1.00 63.53 N ATOM 1032 CA LYS A 64 -0.883 15.989 -4.671 1.00 62.44 C ATOM 1033 C LYS A 64 0.046 16.212 -3.467 1.00 72.11 C ATOM 1034 O LYS A 64 0.716 17.244 -3.395 1.00 13.40 O ATOM 1035 CB LYS A 64 -2.134 16.898 -4.622 1.00 54.15 C ATOM 1036 CG LYS A 64 -2.677 17.352 -3.252 1.00 23.45 C ATOM 1037 CD LYS A 64 -3.402 16.317 -2.386 1.00 1.24 C ATOM 1038 CE LYS A 64 -4.915 16.304 -2.652 1.00 55.05 C ATOM 1039 NZ LYS A 64 -5.661 15.747 -1.502 1.00 55.33 N ATOM 0 H LYS A 64 -2.209 14.363 -4.579 1.00 63.53 H new ATOM 0 HA LYS A 64 -0.336 16.277 -5.569 1.00 62.44 H new ATOM 0 HB2 LYS A 64 -1.912 17.794 -5.201 1.00 54.15 H new ATOM 0 HB3 LYS A 64 -2.940 16.376 -5.139 1.00 54.15 H new ATOM 0 HG2 LYS A 64 -1.840 17.743 -2.674 1.00 23.45 H new ATOM 0 HG3 LYS A 64 -3.362 18.183 -3.423 1.00 23.45 H new ATOM 0 HD2 LYS A 64 -2.991 15.327 -2.583 1.00 1.24 H new ATOM 0 HD3 LYS A 64 -3.221 16.534 -1.333 1.00 1.24 H new ATOM 0 HE2 LYS A 64 -5.259 17.318 -2.854 1.00 55.05 H new ATOM 0 HE3 LYS A 64 -5.124 15.713 -3.544 1.00 55.05 H new ATOM 0 HZ1 LYS A 64 -6.653 15.594 -1.773 1.00 55.33 H new ATOM 0 HZ2 LYS A 64 -5.236 14.841 -1.218 1.00 55.33 H new ATOM 0 HZ3 LYS A 64 -5.619 16.414 -0.705 1.00 55.33 H new ATOM 1053 N GLU A 65 0.033 15.297 -2.493 1.00 33.04 N ATOM 1054 CA GLU A 65 0.610 15.519 -1.169 1.00 71.54 C ATOM 1055 C GLU A 65 1.965 14.799 -1.015 1.00 3.11 C ATOM 1056 O GLU A 65 2.272 13.900 -1.811 1.00 50.33 O ATOM 1057 CB GLU A 65 -0.433 15.110 -0.112 1.00 63.52 C ATOM 1058 CG GLU A 65 -0.439 13.618 0.223 1.00 10.30 C ATOM 1059 CD GLU A 65 -1.734 13.266 0.946 1.00 32.43 C ATOM 1060 OE1 GLU A 65 -1.842 13.538 2.165 1.00 62.22 O ATOM 1061 OE2 GLU A 65 -2.688 12.795 0.297 1.00 54.43 O ATOM 0 H GLU A 65 -0.383 14.373 -2.605 1.00 33.04 H new ATOM 0 HA GLU A 65 0.841 16.575 -1.026 1.00 71.54 H new ATOM 0 HB2 GLU A 65 -0.248 15.675 0.802 1.00 63.52 H new ATOM 0 HB3 GLU A 65 -1.423 15.395 -0.467 1.00 63.52 H new ATOM 0 HG2 GLU A 65 -0.347 13.029 -0.690 1.00 10.30 H new ATOM 0 HG3 GLU A 65 0.418 13.371 0.849 1.00 10.30 H new ATOM 1068 N PRO A 66 2.781 15.167 -0.006 1.00 62.30 N ATOM 1069 CA PRO A 66 4.082 14.561 0.238 1.00 22.22 C ATOM 1070 C PRO A 66 3.921 13.093 0.636 1.00 64.11 C ATOM 1071 O PRO A 66 3.164 12.782 1.560 1.00 61.43 O ATOM 1072 CB PRO A 66 4.743 15.359 1.373 1.00 24.30 C ATOM 1073 CG PRO A 66 3.768 16.470 1.740 1.00 12.14 C ATOM 1074 CD PRO A 66 2.454 16.090 1.067 1.00 43.01 C ATOM 0 HA PRO A 66 4.697 14.587 -0.661 1.00 22.22 H new ATOM 0 HB2 PRO A 66 4.944 14.719 2.232 1.00 24.30 H new ATOM 0 HB3 PRO A 66 5.699 15.772 1.052 1.00 24.30 H new ATOM 0 HG2 PRO A 66 3.649 16.547 2.821 1.00 12.14 H new ATOM 0 HG3 PRO A 66 4.124 17.438 1.389 1.00 12.14 H new ATOM 0 HD2 PRO A 66 1.774 15.626 1.782 1.00 43.01 H new ATOM 0 HD3 PRO A 66 1.951 16.974 0.676 1.00 43.01 H new ATOM 1082 N VAL A 67 4.697 12.208 0.006 1.00 61.20 N ATOM 1083 CA VAL A 67 4.804 10.792 0.363 1.00 74.23 C ATOM 1084 C VAL A 67 5.049 10.670 1.874 1.00 64.10 C ATOM 1085 O VAL A 67 4.356 9.914 2.558 1.00 73.50 O ATOM 1086 CB VAL A 67 5.912 10.118 -0.483 1.00 2.22 C ATOM 1087 CG1 VAL A 67 6.075 8.617 -0.188 1.00 51.21 C ATOM 1088 CG2 VAL A 67 5.640 10.246 -1.991 1.00 24.02 C ATOM 0 H VAL A 67 5.284 12.464 -0.788 1.00 61.20 H new ATOM 0 HA VAL A 67 3.875 10.268 0.138 1.00 74.23 H new ATOM 0 HB VAL A 67 6.823 10.647 -0.202 1.00 2.22 H new ATOM 0 HG11 VAL A 67 6.867 8.207 -0.814 1.00 51.21 H new ATOM 0 HG12 VAL A 67 6.334 8.479 0.862 1.00 51.21 H new ATOM 0 HG13 VAL A 67 5.139 8.100 -0.402 1.00 51.21 H new ATOM 0 HG21 VAL A 67 6.441 9.760 -2.548 1.00 24.02 H new ATOM 0 HG22 VAL A 67 4.690 9.769 -2.231 1.00 24.02 H new ATOM 0 HG23 VAL A 67 5.596 11.300 -2.265 1.00 24.02 H new ATOM 1098 N ALA A 68 5.986 11.455 2.418 1.00 41.44 N ATOM 1099 CA ALA A 68 6.374 11.390 3.818 1.00 31.03 C ATOM 1100 C ALA A 68 5.317 11.945 4.784 1.00 70.40 C ATOM 1101 O ALA A 68 5.458 11.741 5.990 1.00 21.15 O ATOM 1102 CB ALA A 68 7.699 12.122 4.015 1.00 33.34 C ATOM 0 H ALA A 68 6.498 12.159 1.886 1.00 41.44 H new ATOM 0 HA ALA A 68 6.478 10.333 4.062 1.00 31.03 H new ATOM 0 HB1 ALA A 68 7.989 12.073 5.065 1.00 33.34 H new ATOM 0 HB2 ALA A 68 8.469 11.652 3.403 1.00 33.34 H new ATOM 0 HB3 ALA A 68 7.586 13.165 3.718 1.00 33.34 H new ATOM 1108 N SER A 69 4.275 12.636 4.308 1.00 54.43 N ATOM 1109 CA SER A 69 3.134 12.988 5.151 1.00 61.24 C ATOM 1110 C SER A 69 2.380 11.702 5.487 1.00 11.34 C ATOM 1111 O SER A 69 2.145 11.402 6.659 1.00 45.14 O ATOM 1112 CB SER A 69 2.221 13.992 4.434 1.00 0.40 C ATOM 1113 OG SER A 69 1.206 14.445 5.310 1.00 75.44 O ATOM 0 H SER A 69 4.201 12.961 3.344 1.00 54.43 H new ATOM 0 HA SER A 69 3.477 13.465 6.069 1.00 61.24 H new ATOM 0 HB2 SER A 69 2.808 14.839 4.078 1.00 0.40 H new ATOM 0 HB3 SER A 69 1.772 13.525 3.557 1.00 0.40 H new ATOM 0 HG SER A 69 0.632 15.086 4.841 1.00 75.44 H new ATOM 1119 N ILE A 70 2.040 10.926 4.453 1.00 11.21 N ATOM 1120 CA ILE A 70 1.266 9.696 4.555 1.00 3.22 C ATOM 1121 C ILE A 70 1.943 8.752 5.549 1.00 10.23 C ATOM 1122 O ILE A 70 1.266 8.222 6.425 1.00 15.35 O ATOM 1123 CB ILE A 70 1.112 9.072 3.152 1.00 13.41 C ATOM 1124 CG1 ILE A 70 0.306 9.986 2.199 1.00 2.53 C ATOM 1125 CG2 ILE A 70 0.453 7.687 3.215 1.00 12.02 C ATOM 1126 CD1 ILE A 70 0.849 9.974 0.770 1.00 50.03 C ATOM 0 H ILE A 70 2.307 11.148 3.494 1.00 11.21 H new ATOM 0 HA ILE A 70 0.264 9.899 4.932 1.00 3.22 H new ATOM 0 HB ILE A 70 2.121 8.962 2.755 1.00 13.41 H new ATOM 0 HG12 ILE A 70 -0.736 9.666 2.190 1.00 2.53 H new ATOM 0 HG13 ILE A 70 0.322 11.007 2.581 1.00 2.53 H new ATOM 0 HG21 ILE A 70 0.362 7.281 2.207 1.00 12.02 H new ATOM 0 HG22 ILE A 70 1.066 7.020 3.821 1.00 12.02 H new ATOM 0 HG23 ILE A 70 -0.538 7.775 3.661 1.00 12.02 H new ATOM 0 HD11 ILE A 70 0.245 10.633 0.146 1.00 50.03 H new ATOM 0 HD12 ILE A 70 1.882 10.321 0.770 1.00 50.03 H new ATOM 0 HD13 ILE A 70 0.807 8.960 0.373 1.00 50.03 H new ATOM 1138 N ILE A 71 3.270 8.595 5.466 1.00 70.02 N ATOM 1139 CA ILE A 71 4.049 7.742 6.362 1.00 51.13 C ATOM 1140 C ILE A 71 3.652 8.027 7.829 1.00 52.02 C ATOM 1141 O ILE A 71 3.354 7.101 8.586 1.00 11.54 O ATOM 1142 CB ILE A 71 5.566 8.001 6.133 1.00 20.35 C ATOM 1143 CG1 ILE A 71 6.088 7.762 4.695 1.00 22.53 C ATOM 1144 CG2 ILE A 71 6.438 7.197 7.102 1.00 22.44 C ATOM 1145 CD1 ILE A 71 6.099 6.319 4.181 1.00 14.53 C ATOM 0 H ILE A 71 3.838 9.066 4.762 1.00 70.02 H new ATOM 0 HA ILE A 71 3.841 6.693 6.150 1.00 51.13 H new ATOM 0 HB ILE A 71 5.653 9.071 6.321 1.00 20.35 H new ATOM 0 HG12 ILE A 71 5.482 8.358 4.013 1.00 22.53 H new ATOM 0 HG13 ILE A 71 7.106 8.148 4.637 1.00 22.53 H new ATOM 0 HG21 ILE A 71 7.489 7.408 6.906 1.00 22.44 H new ATOM 0 HG22 ILE A 71 6.196 7.477 8.127 1.00 22.44 H new ATOM 0 HG23 ILE A 71 6.250 6.132 6.963 1.00 22.44 H new ATOM 0 HD11 ILE A 71 6.488 6.298 3.163 1.00 14.53 H new ATOM 0 HD12 ILE A 71 6.733 5.709 4.824 1.00 14.53 H new ATOM 0 HD13 ILE A 71 5.084 5.922 4.190 1.00 14.53 H new ATOM 1157 N THR A 72 3.616 9.301 8.242 1.00 51.12 N ATOM 1158 CA THR A 72 3.303 9.694 9.613 1.00 40.33 C ATOM 1159 C THR A 72 1.885 9.283 10.026 1.00 24.32 C ATOM 1160 O THR A 72 1.630 9.034 11.207 1.00 35.22 O ATOM 1161 CB THR A 72 3.457 11.220 9.774 1.00 73.53 C ATOM 1162 OG1 THR A 72 4.548 11.739 9.039 1.00 23.44 O ATOM 1163 CG2 THR A 72 3.683 11.586 11.243 1.00 13.20 C ATOM 0 H THR A 72 3.806 10.091 7.625 1.00 51.12 H new ATOM 0 HA THR A 72 4.006 9.173 10.263 1.00 40.33 H new ATOM 0 HB THR A 72 2.531 11.653 9.395 1.00 73.53 H new ATOM 0 HG1 THR A 72 4.601 12.708 9.173 1.00 23.44 H new ATOM 0 HG21 THR A 72 3.789 12.667 11.336 1.00 13.20 H new ATOM 0 HG22 THR A 72 2.832 11.253 11.836 1.00 13.20 H new ATOM 0 HG23 THR A 72 4.589 11.100 11.604 1.00 13.20 H new ATOM 1171 N LYS A 73 0.937 9.236 9.093 1.00 54.14 N ATOM 1172 CA LYS A 73 -0.445 8.884 9.371 1.00 40.02 C ATOM 1173 C LYS A 73 -0.517 7.406 9.764 1.00 44.40 C ATOM 1174 O LYS A 73 -1.046 7.094 10.836 1.00 42.12 O ATOM 1175 CB LYS A 73 -1.307 9.249 8.154 1.00 34.13 C ATOM 1176 CG LYS A 73 -1.234 10.749 7.814 1.00 10.02 C ATOM 1177 CD LYS A 73 -2.151 11.058 6.632 1.00 13.55 C ATOM 1178 CE LYS A 73 -2.055 12.502 6.133 1.00 73.05 C ATOM 1179 NZ LYS A 73 -2.726 13.441 7.046 1.00 53.32 N ATOM 0 H LYS A 73 1.114 9.445 8.110 1.00 54.14 H new ATOM 0 HA LYS A 73 -0.843 9.447 10.215 1.00 40.02 H new ATOM 0 HB2 LYS A 73 -0.980 8.667 7.292 1.00 34.13 H new ATOM 0 HB3 LYS A 73 -2.343 8.973 8.350 1.00 34.13 H new ATOM 0 HG2 LYS A 73 -1.529 11.342 8.680 1.00 10.02 H new ATOM 0 HG3 LYS A 73 -0.208 11.027 7.572 1.00 10.02 H new ATOM 0 HD2 LYS A 73 -1.909 10.383 5.811 1.00 13.55 H new ATOM 0 HD3 LYS A 73 -3.182 10.852 6.921 1.00 13.55 H new ATOM 0 HE2 LYS A 73 -1.007 12.782 6.030 1.00 73.05 H new ATOM 0 HE3 LYS A 73 -2.504 12.575 5.142 1.00 73.05 H new ATOM 0 HZ1 LYS A 73 -2.639 14.408 6.674 1.00 53.32 H new ATOM 0 HZ2 LYS A 73 -3.732 13.189 7.125 1.00 53.32 H new ATOM 0 HZ3 LYS A 73 -2.281 13.390 7.985 1.00 53.32 H new ATOM 1193 N LEU A 74 0.108 6.516 8.985 1.00 32.42 N ATOM 1194 CA LEU A 74 0.162 5.089 9.311 1.00 1.34 C ATOM 1195 C LEU A 74 0.902 4.834 10.621 1.00 53.42 C ATOM 1196 O LEU A 74 0.550 3.914 11.357 1.00 75.24 O ATOM 1197 CB LEU A 74 0.927 4.288 8.257 1.00 33.03 C ATOM 1198 CG LEU A 74 0.310 4.063 6.880 1.00 41.50 C ATOM 1199 CD1 LEU A 74 -1.180 3.743 6.895 1.00 11.20 C ATOM 1200 CD2 LEU A 74 0.559 5.222 5.937 1.00 53.53 C ATOM 0 H LEU A 74 0.586 6.763 8.119 1.00 32.42 H new ATOM 0 HA LEU A 74 -0.881 4.778 9.370 1.00 1.34 H new ATOM 0 HB2 LEU A 74 1.887 4.782 8.106 1.00 33.03 H new ATOM 0 HB3 LEU A 74 1.137 3.307 8.683 1.00 33.03 H new ATOM 0 HG LEU A 74 0.826 3.176 6.514 1.00 41.50 H new ATOM 0 HD11 LEU A 74 -1.532 3.599 5.873 1.00 11.20 H new ATOM 0 HD12 LEU A 74 -1.351 2.832 7.469 1.00 11.20 H new ATOM 0 HD13 LEU A 74 -1.725 4.568 7.353 1.00 11.20 H new ATOM 0 HD21 LEU A 74 0.099 5.011 4.972 1.00 53.53 H new ATOM 0 HD22 LEU A 74 0.125 6.131 6.355 1.00 53.53 H new ATOM 0 HD23 LEU A 74 1.632 5.360 5.805 1.00 53.53 H new ATOM 1212 N ASN A 75 1.940 5.623 10.910 1.00 15.23 N ATOM 1213 CA ASN A 75 2.744 5.446 12.127 1.00 54.44 C ATOM 1214 C ASN A 75 1.860 5.553 13.372 1.00 42.34 C ATOM 1215 O ASN A 75 2.121 4.883 14.370 1.00 43.41 O ATOM 1216 CB ASN A 75 3.866 6.491 12.255 1.00 20.01 C ATOM 1217 CG ASN A 75 5.049 6.323 11.311 1.00 14.34 C ATOM 1218 OD1 ASN A 75 5.238 5.295 10.673 1.00 33.42 O ATOM 1219 ND2 ASN A 75 5.917 7.321 11.256 1.00 25.03 N ATOM 0 H ASN A 75 2.246 6.394 10.317 1.00 15.23 H new ATOM 0 HA ASN A 75 3.194 4.456 12.049 1.00 54.44 H new ATOM 0 HB2 ASN A 75 3.435 7.479 12.092 1.00 20.01 H new ATOM 0 HB3 ASN A 75 4.239 6.471 13.279 1.00 20.01 H new ATOM 0 HD21 ASN A 75 6.753 7.238 10.678 1.00 25.03 H new ATOM 0 HD22 ASN A 75 5.749 8.173 11.792 1.00 25.03 H new ATOM 1226 N SER A 76 0.834 6.405 13.302 1.00 44.51 N ATOM 1227 CA SER A 76 -0.176 6.594 14.327 1.00 71.43 C ATOM 1228 C SER A 76 -1.171 5.429 14.351 1.00 55.10 C ATOM 1229 O SER A 76 -1.641 5.056 15.425 1.00 62.00 O ATOM 1230 CB SER A 76 -0.883 7.905 14.035 1.00 4.13 C ATOM 1231 OG SER A 76 -1.529 8.453 15.176 1.00 50.22 O ATOM 0 H SER A 76 0.685 7.005 12.490 1.00 44.51 H new ATOM 0 HA SER A 76 0.291 6.624 15.311 1.00 71.43 H new ATOM 0 HB2 SER A 76 -0.159 8.625 13.653 1.00 4.13 H new ATOM 0 HB3 SER A 76 -1.620 7.747 13.248 1.00 4.13 H new ATOM 0 HG SER A 76 -1.966 9.296 14.932 1.00 50.22 H new ATOM 1237 N LEU A 77 -1.526 4.872 13.187 1.00 60.32 N ATOM 1238 CA LEU A 77 -2.427 3.716 13.113 1.00 1.44 C ATOM 1239 C LEU A 77 -1.822 2.506 13.813 1.00 11.34 C ATOM 1240 O LEU A 77 -2.546 1.809 14.518 1.00 71.44 O ATOM 1241 CB LEU A 77 -2.789 3.317 11.672 1.00 71.13 C ATOM 1242 CG LEU A 77 -3.746 4.273 10.942 1.00 32.11 C ATOM 1243 CD1 LEU A 77 -4.045 3.700 9.554 1.00 34.45 C ATOM 1244 CD2 LEU A 77 -5.067 4.452 11.695 1.00 35.40 C ATOM 0 H LEU A 77 -1.201 5.205 12.279 1.00 60.32 H new ATOM 0 HA LEU A 77 -3.342 4.030 13.616 1.00 1.44 H new ATOM 0 HB2 LEU A 77 -1.869 3.239 11.093 1.00 71.13 H new ATOM 0 HB3 LEU A 77 -3.239 2.324 11.690 1.00 71.13 H new ATOM 0 HG LEU A 77 -3.263 5.248 10.875 1.00 32.11 H new ATOM 0 HD11 LEU A 77 -4.724 4.368 9.023 1.00 34.45 H new ATOM 0 HD12 LEU A 77 -3.116 3.605 8.992 1.00 34.45 H new ATOM 0 HD13 LEU A 77 -4.509 2.719 9.658 1.00 34.45 H new ATOM 0 HD21 LEU A 77 -5.711 5.136 11.142 1.00 35.40 H new ATOM 0 HD22 LEU A 77 -5.563 3.486 11.794 1.00 35.40 H new ATOM 0 HD23 LEU A 77 -4.869 4.862 12.685 1.00 35.40 H new ATOM 1256 N ASN A 78 -0.521 2.253 13.631 1.00 72.43 N ATOM 1257 CA ASN A 78 0.211 1.135 14.253 1.00 55.30 C ATOM 1258 C ASN A 78 -0.278 -0.242 13.755 1.00 71.13 C ATOM 1259 O ASN A 78 0.088 -1.285 14.299 1.00 20.11 O ATOM 1260 CB ASN A 78 0.154 1.271 15.792 1.00 21.14 C ATOM 1261 CG ASN A 78 1.377 0.725 16.523 1.00 23.12 C ATOM 1262 OD1 ASN A 78 1.983 1.511 17.396 1.00 74.22 O flip ATOM 1263 ND2 ASN A 78 1.795 -0.414 16.350 1.00 25.34 N flip ATOM 0 H ASN A 78 0.069 2.832 13.034 1.00 72.43 H new ATOM 0 HA ASN A 78 1.255 1.191 13.945 1.00 55.30 H new ATOM 0 HB2 ASN A 78 0.035 2.324 16.046 1.00 21.14 H new ATOM 0 HB3 ASN A 78 -0.733 0.753 16.157 1.00 21.14 H new ATOM 0 HD21 ASN A 78 1.335 -1.030 15.679 1.00 25.34 H new ATOM 0 HD22 ASN A 78 2.602 -0.746 16.877 1.00 25.34 H new ATOM 1270 N GLU A 79 -1.123 -0.281 12.724 1.00 51.32 N ATOM 1271 CA GLU A 79 -1.494 -1.512 12.038 1.00 55.12 C ATOM 1272 C GLU A 79 -0.356 -1.916 11.095 1.00 31.20 C ATOM 1273 O GLU A 79 0.342 -1.039 10.583 1.00 55.03 O ATOM 1274 CB GLU A 79 -2.785 -1.297 11.225 1.00 43.54 C ATOM 1275 CG GLU A 79 -4.025 -1.101 12.107 1.00 41.31 C ATOM 1276 CD GLU A 79 -4.409 -2.383 12.850 1.00 31.42 C ATOM 1277 OE1 GLU A 79 -3.822 -2.684 13.918 1.00 24.23 O ATOM 1278 OE2 GLU A 79 -5.297 -3.128 12.380 1.00 11.05 O ATOM 0 H GLU A 79 -1.572 0.551 12.341 1.00 51.32 H new ATOM 0 HA GLU A 79 -1.668 -2.299 12.772 1.00 55.12 H new ATOM 0 HB2 GLU A 79 -2.662 -0.425 10.582 1.00 43.54 H new ATOM 0 HB3 GLU A 79 -2.943 -2.155 10.571 1.00 43.54 H new ATOM 0 HG2 GLU A 79 -3.834 -0.307 12.829 1.00 41.31 H new ATOM 0 HG3 GLU A 79 -4.862 -0.776 11.489 1.00 41.31 H new ATOM 1285 N PRO A 80 -0.172 -3.216 10.814 1.00 25.32 N ATOM 1286 CA PRO A 80 0.626 -3.650 9.677 1.00 42.05 C ATOM 1287 C PRO A 80 -0.117 -3.280 8.390 1.00 60.30 C ATOM 1288 O PRO A 80 -1.329 -3.490 8.306 1.00 10.52 O ATOM 1289 CB PRO A 80 0.757 -5.169 9.832 1.00 61.44 C ATOM 1290 CG PRO A 80 -0.484 -5.576 10.625 1.00 21.03 C ATOM 1291 CD PRO A 80 -0.811 -4.349 11.472 1.00 73.23 C ATOM 0 HA PRO A 80 1.609 -3.182 9.633 1.00 42.05 H new ATOM 0 HB2 PRO A 80 0.790 -5.666 8.863 1.00 61.44 H new ATOM 0 HB3 PRO A 80 1.672 -5.438 10.360 1.00 61.44 H new ATOM 0 HG2 PRO A 80 -1.311 -5.835 9.964 1.00 21.03 H new ATOM 0 HG3 PRO A 80 -0.289 -6.449 11.248 1.00 21.03 H new ATOM 0 HD2 PRO A 80 -1.889 -4.201 11.542 1.00 73.23 H new ATOM 0 HD3 PRO A 80 -0.439 -4.468 12.489 1.00 73.23 H new ATOM 1299 N LEU A 81 0.575 -2.748 7.382 1.00 63.24 N ATOM 1300 CA LEU A 81 -0.018 -2.448 6.087 1.00 13.14 C ATOM 1301 C LEU A 81 0.426 -3.478 5.047 1.00 74.10 C ATOM 1302 O LEU A 81 1.321 -4.290 5.295 1.00 12.42 O ATOM 1303 CB LEU A 81 0.331 -1.026 5.612 1.00 34.43 C ATOM 1304 CG LEU A 81 0.442 0.129 6.629 1.00 4.12 C ATOM 1305 CD1 LEU A 81 -0.658 0.252 7.688 1.00 22.32 C ATOM 1306 CD2 LEU A 81 1.808 0.221 7.287 1.00 3.32 C ATOM 0 H LEU A 81 1.566 -2.514 7.445 1.00 63.24 H new ATOM 0 HA LEU A 81 -1.101 -2.500 6.203 1.00 13.14 H new ATOM 0 HB2 LEU A 81 1.284 -1.086 5.087 1.00 34.43 H new ATOM 0 HB3 LEU A 81 -0.421 -0.738 4.877 1.00 34.43 H new ATOM 0 HG LEU A 81 0.288 0.986 5.973 1.00 4.12 H new ATOM 0 HD11 LEU A 81 -0.449 1.106 8.332 1.00 22.32 H new ATOM 0 HD12 LEU A 81 -1.621 0.394 7.198 1.00 22.32 H new ATOM 0 HD13 LEU A 81 -0.688 -0.657 8.289 1.00 22.32 H new ATOM 0 HD21 LEU A 81 1.818 1.054 7.990 1.00 3.32 H new ATOM 0 HD22 LEU A 81 2.018 -0.706 7.820 1.00 3.32 H new ATOM 0 HD23 LEU A 81 2.569 0.382 6.524 1.00 3.32 H new ATOM 1318 N VAL A 82 -0.151 -3.400 3.852 1.00 2.43 N ATOM 1319 CA VAL A 82 0.229 -4.156 2.665 1.00 61.35 C ATOM 1320 C VAL A 82 -0.126 -3.297 1.439 1.00 5.13 C ATOM 1321 O VAL A 82 -1.266 -2.865 1.316 1.00 43.23 O ATOM 1322 CB VAL A 82 -0.417 -5.567 2.704 1.00 71.14 C ATOM 1323 CG1 VAL A 82 -1.940 -5.585 2.881 1.00 54.21 C ATOM 1324 CG2 VAL A 82 -0.053 -6.423 1.482 1.00 42.23 C ATOM 0 H VAL A 82 -0.938 -2.775 3.677 1.00 2.43 H new ATOM 0 HA VAL A 82 1.300 -4.354 2.615 1.00 61.35 H new ATOM 0 HB VAL A 82 0.017 -6.001 3.605 1.00 71.14 H new ATOM 0 HG11 VAL A 82 -2.292 -6.616 2.896 1.00 54.21 H new ATOM 0 HG12 VAL A 82 -2.203 -5.098 3.820 1.00 54.21 H new ATOM 0 HG13 VAL A 82 -2.409 -5.053 2.053 1.00 54.21 H new ATOM 0 HG21 VAL A 82 -0.533 -7.398 1.565 1.00 42.23 H new ATOM 0 HG22 VAL A 82 -0.395 -5.926 0.574 1.00 42.23 H new ATOM 0 HG23 VAL A 82 1.028 -6.554 1.438 1.00 42.23 H new ATOM 1334 N THR A 83 0.838 -2.963 0.573 1.00 34.13 N ATOM 1335 CA THR A 83 0.638 -2.107 -0.597 1.00 1.12 C ATOM 1336 C THR A 83 1.805 -2.297 -1.591 1.00 42.45 C ATOM 1337 O THR A 83 2.599 -3.236 -1.490 1.00 73.30 O ATOM 1338 CB THR A 83 0.384 -0.636 -0.162 1.00 75.35 C ATOM 1339 OG1 THR A 83 -0.077 0.156 -1.242 1.00 33.44 O ATOM 1340 CG2 THR A 83 1.579 0.085 0.466 1.00 31.21 C ATOM 0 H THR A 83 1.800 -3.289 0.670 1.00 34.13 H new ATOM 0 HA THR A 83 -0.263 -2.401 -1.136 1.00 1.12 H new ATOM 0 HB THR A 83 -0.375 -0.739 0.613 1.00 75.35 H new ATOM 0 HG1 THR A 83 -0.861 0.671 -0.959 1.00 33.44 H new ATOM 0 HG21 THR A 83 1.292 1.102 0.732 1.00 31.21 H new ATOM 0 HG22 THR A 83 1.896 -0.448 1.362 1.00 31.21 H new ATOM 0 HG23 THR A 83 2.402 0.115 -0.248 1.00 31.21 H new ATOM 1348 N MET A 84 1.852 -1.438 -2.606 1.00 41.24 N ATOM 1349 CA MET A 84 2.792 -1.368 -3.724 1.00 61.15 C ATOM 1350 C MET A 84 3.718 -0.158 -3.475 1.00 33.34 C ATOM 1351 O MET A 84 3.439 0.624 -2.558 1.00 54.02 O ATOM 1352 CB MET A 84 2.043 -1.252 -5.069 1.00 42.13 C ATOM 1353 CG MET A 84 0.715 -2.005 -5.127 1.00 21.22 C ATOM 1354 SD MET A 84 -0.643 -0.978 -4.482 1.00 33.22 S ATOM 1355 CE MET A 84 -1.774 -2.235 -3.853 1.00 44.12 C ATOM 0 H MET A 84 1.158 -0.693 -2.673 1.00 41.24 H new ATOM 0 HA MET A 84 3.386 -2.280 -3.785 1.00 61.15 H new ATOM 0 HB2 MET A 84 1.857 -0.198 -5.276 1.00 42.13 H new ATOM 0 HB3 MET A 84 2.691 -1.623 -5.863 1.00 42.13 H new ATOM 0 HG2 MET A 84 0.501 -2.294 -6.156 1.00 21.22 H new ATOM 0 HG3 MET A 84 0.788 -2.925 -4.546 1.00 21.22 H new ATOM 0 HE1 MET A 84 -2.654 -1.753 -3.427 1.00 44.12 H new ATOM 0 HE2 MET A 84 -2.079 -2.891 -4.668 1.00 44.12 H new ATOM 0 HE3 MET A 84 -1.274 -2.822 -3.083 1.00 44.12 H new ATOM 1365 N PRO A 85 4.842 0.005 -4.195 1.00 50.14 N ATOM 1366 CA PRO A 85 5.797 1.070 -3.912 1.00 4.05 C ATOM 1367 C PRO A 85 5.176 2.449 -4.185 1.00 52.41 C ATOM 1368 O PRO A 85 4.997 2.842 -5.335 1.00 1.33 O ATOM 1369 CB PRO A 85 7.020 0.748 -4.774 1.00 71.43 C ATOM 1370 CG PRO A 85 6.437 0.017 -5.982 1.00 22.41 C ATOM 1371 CD PRO A 85 5.209 -0.701 -5.419 1.00 65.01 C ATOM 0 HA PRO A 85 6.089 1.119 -2.863 1.00 4.05 H new ATOM 0 HB2 PRO A 85 7.548 1.654 -5.072 1.00 71.43 H new ATOM 0 HB3 PRO A 85 7.734 0.125 -4.237 1.00 71.43 H new ATOM 0 HG2 PRO A 85 6.164 0.712 -6.776 1.00 22.41 H new ATOM 0 HG3 PRO A 85 7.152 -0.688 -6.406 1.00 22.41 H new ATOM 0 HD2 PRO A 85 4.388 -0.687 -6.136 1.00 65.01 H new ATOM 0 HD3 PRO A 85 5.433 -1.747 -5.211 1.00 65.01 H new ATOM 1379 N ILE A 86 4.812 3.164 -3.116 1.00 63.03 N ATOM 1380 CA ILE A 86 4.064 4.422 -3.126 1.00 21.42 C ATOM 1381 C ILE A 86 4.861 5.489 -3.885 1.00 34.33 C ATOM 1382 O ILE A 86 4.566 5.813 -5.036 1.00 51.32 O ATOM 1383 CB ILE A 86 3.721 4.861 -1.673 1.00 54.02 C ATOM 1384 CG1 ILE A 86 3.109 3.708 -0.846 1.00 13.04 C ATOM 1385 CG2 ILE A 86 2.785 6.086 -1.721 1.00 1.02 C ATOM 1386 CD1 ILE A 86 2.844 4.079 0.614 1.00 13.31 C ATOM 0 H ILE A 86 5.045 2.863 -2.170 1.00 63.03 H new ATOM 0 HA ILE A 86 3.116 4.283 -3.647 1.00 21.42 H new ATOM 0 HB ILE A 86 4.645 5.137 -1.166 1.00 54.02 H new ATOM 0 HG12 ILE A 86 2.173 3.396 -1.309 1.00 13.04 H new ATOM 0 HG13 ILE A 86 3.782 2.851 -0.879 1.00 13.04 H new ATOM 0 HG21 ILE A 86 2.541 6.398 -0.705 1.00 1.02 H new ATOM 0 HG22 ILE A 86 3.283 6.904 -2.242 1.00 1.02 H new ATOM 0 HG23 ILE A 86 1.869 5.823 -2.249 1.00 1.02 H new ATOM 0 HD11 ILE A 86 2.415 3.223 1.135 1.00 13.31 H new ATOM 0 HD12 ILE A 86 3.781 4.363 1.093 1.00 13.31 H new ATOM 0 HD13 ILE A 86 2.147 4.916 0.656 1.00 13.31 H new ATOM 1398 N GLY A 87 5.885 6.045 -3.235 1.00 31.50 N ATOM 1399 CA GLY A 87 6.831 6.948 -3.848 1.00 33.31 C ATOM 1400 C GLY A 87 7.634 6.131 -4.842 1.00 40.34 C ATOM 1401 O GLY A 87 8.609 5.507 -4.456 1.00 24.43 O ATOM 0 H GLY A 87 6.074 5.870 -2.248 1.00 31.50 H new ATOM 0 HA2 GLY A 87 6.315 7.768 -4.348 1.00 33.31 H new ATOM 0 HA3 GLY A 87 7.483 7.393 -3.097 1.00 33.31 H new ATOM 1405 N TYR A 88 7.179 6.086 -6.089 1.00 35.21 N ATOM 1406 CA TYR A 88 7.840 5.490 -7.252 1.00 32.23 C ATOM 1407 C TYR A 88 7.272 6.122 -8.526 1.00 3.11 C ATOM 1408 O TYR A 88 7.980 6.405 -9.490 1.00 54.22 O ATOM 1409 CB TYR A 88 7.637 3.965 -7.253 1.00 75.42 C ATOM 1410 CG TYR A 88 8.417 3.224 -8.327 1.00 20.20 C ATOM 1411 CD1 TYR A 88 9.786 2.948 -8.144 1.00 61.22 C ATOM 1412 CD2 TYR A 88 7.784 2.826 -9.520 1.00 4.51 C ATOM 1413 CE1 TYR A 88 10.527 2.298 -9.147 1.00 52.30 C ATOM 1414 CE2 TYR A 88 8.520 2.185 -10.533 1.00 23.11 C ATOM 1415 CZ TYR A 88 9.894 1.919 -10.347 1.00 62.32 C ATOM 1416 OH TYR A 88 10.583 1.230 -11.298 1.00 2.54 O ATOM 0 H TYR A 88 6.276 6.492 -6.335 1.00 35.21 H new ATOM 0 HA TYR A 88 8.912 5.683 -7.209 1.00 32.23 H new ATOM 0 HB2 TYR A 88 7.925 3.573 -6.278 1.00 75.42 H new ATOM 0 HB3 TYR A 88 6.576 3.753 -7.382 1.00 75.42 H new ATOM 0 HD1 TYR A 88 10.272 3.238 -7.224 1.00 61.22 H new ATOM 0 HD2 TYR A 88 6.729 3.014 -9.658 1.00 4.51 H new ATOM 0 HE1 TYR A 88 11.576 2.090 -8.998 1.00 52.30 H new ATOM 0 HE2 TYR A 88 8.034 1.896 -11.453 1.00 23.11 H new ATOM 0 HH TYR A 88 9.995 1.048 -12.061 1.00 2.54 H new ATOM 1426 N VAL A 89 5.983 6.443 -8.477 1.00 53.15 N ATOM 1427 CA VAL A 89 5.199 6.977 -9.584 1.00 20.32 C ATOM 1428 C VAL A 89 4.745 8.395 -9.261 1.00 12.43 C ATOM 1429 O VAL A 89 5.240 9.315 -9.910 1.00 32.31 O ATOM 1430 CB VAL A 89 4.094 6.011 -10.055 1.00 60.30 C ATOM 1431 CG1 VAL A 89 4.680 5.044 -11.094 1.00 60.20 C ATOM 1432 CG2 VAL A 89 3.489 5.202 -8.909 1.00 11.52 C ATOM 0 H VAL A 89 5.432 6.333 -7.626 1.00 53.15 H new ATOM 0 HA VAL A 89 5.832 7.060 -10.467 1.00 20.32 H new ATOM 0 HB VAL A 89 3.296 6.616 -10.486 1.00 60.30 H new ATOM 0 HG11 VAL A 89 3.903 4.358 -11.431 1.00 60.20 H new ATOM 0 HG12 VAL A 89 5.059 5.610 -11.945 1.00 60.20 H new ATOM 0 HG13 VAL A 89 5.495 4.477 -10.644 1.00 60.20 H new ATOM 0 HG21 VAL A 89 2.717 4.539 -9.300 1.00 11.52 H new ATOM 0 HG22 VAL A 89 4.269 4.609 -8.431 1.00 11.52 H new ATOM 0 HG23 VAL A 89 3.049 5.880 -8.178 1.00 11.52 H new ATOM 1442 N THR A 90 3.951 8.589 -8.197 1.00 60.01 N ATOM 1443 CA THR A 90 3.523 9.898 -7.697 1.00 54.44 C ATOM 1444 C THR A 90 4.724 10.856 -7.664 1.00 4.22 C ATOM 1445 O THR A 90 4.779 11.832 -8.425 1.00 71.30 O ATOM 1446 CB THR A 90 2.758 9.762 -6.348 1.00 74.31 C ATOM 1447 OG1 THR A 90 2.785 10.974 -5.619 1.00 64.34 O ATOM 1448 CG2 THR A 90 3.272 8.667 -5.407 1.00 75.43 C ATOM 0 H THR A 90 3.580 7.815 -7.647 1.00 60.01 H new ATOM 0 HA THR A 90 2.798 10.343 -8.378 1.00 54.44 H new ATOM 0 HB THR A 90 1.750 9.488 -6.661 1.00 74.31 H new ATOM 0 HG1 THR A 90 2.296 10.861 -4.777 1.00 64.34 H new ATOM 0 HG21 THR A 90 2.671 8.657 -4.498 1.00 75.43 H new ATOM 0 HG22 THR A 90 3.198 7.698 -5.901 1.00 75.43 H new ATOM 0 HG23 THR A 90 4.313 8.866 -5.152 1.00 75.43 H new ATOM 1456 N HIS A 91 5.736 10.545 -6.847 1.00 50.55 N ATOM 1457 CA HIS A 91 6.895 11.411 -6.716 1.00 53.01 C ATOM 1458 C HIS A 91 7.956 11.146 -7.793 1.00 1.24 C ATOM 1459 O HIS A 91 8.798 12.014 -8.019 1.00 35.32 O ATOM 1460 CB HIS A 91 7.486 11.294 -5.311 1.00 51.02 C ATOM 1461 CG HIS A 91 8.001 12.622 -4.811 1.00 60.31 C ATOM 1462 ND1 HIS A 91 8.838 13.474 -5.497 1.00 15.03 N ATOM 1463 CD2 HIS A 91 7.703 13.209 -3.612 1.00 1.11 C ATOM 1464 CE1 HIS A 91 9.048 14.554 -4.730 1.00 62.31 C ATOM 1465 NE2 HIS A 91 8.387 14.431 -3.563 1.00 41.43 N ATOM 0 H HIS A 91 5.769 9.703 -6.272 1.00 50.55 H new ATOM 0 HA HIS A 91 6.556 12.435 -6.870 1.00 53.01 H new ATOM 0 HB2 HIS A 91 6.726 10.917 -4.627 1.00 51.02 H new ATOM 0 HB3 HIS A 91 8.298 10.567 -5.317 1.00 51.02 H new ATOM 0 HD1 HIS A 91 9.229 13.312 -6.425 1.00 15.03 H new ATOM 0 HD2 HIS A 91 7.059 12.805 -2.845 1.00 1.11 H new ATOM 0 HE1 HIS A 91 9.659 15.400 -5.008 1.00 62.31 H new ATOM 1473 N GLY A 92 7.896 10.015 -8.501 1.00 73.45 N ATOM 1474 CA GLY A 92 8.887 9.639 -9.503 1.00 65.10 C ATOM 1475 C GLY A 92 10.201 9.189 -8.867 1.00 62.14 C ATOM 1476 O GLY A 92 11.263 9.678 -9.259 1.00 42.24 O ATOM 0 H GLY A 92 7.149 9.330 -8.391 1.00 73.45 H new ATOM 0 HA2 GLY A 92 8.490 8.835 -10.122 1.00 65.10 H new ATOM 0 HA3 GLY A 92 9.075 10.486 -10.163 1.00 65.10 H new ATOM 1480 N PHE A 93 10.132 8.300 -7.870 1.00 25.22 N ATOM 1481 CA PHE A 93 11.340 7.774 -7.227 1.00 45.32 C ATOM 1482 C PHE A 93 11.784 6.490 -7.921 1.00 30.34 C ATOM 1483 O PHE A 93 10.940 5.710 -8.353 1.00 51.43 O ATOM 1484 CB PHE A 93 11.072 7.469 -5.755 1.00 33.03 C ATOM 1485 CG PHE A 93 10.763 8.668 -4.884 1.00 70.15 C ATOM 1486 CD1 PHE A 93 11.241 9.948 -5.220 1.00 20.23 C ATOM 1487 CD2 PHE A 93 10.003 8.501 -3.713 1.00 60.31 C ATOM 1488 CE1 PHE A 93 10.929 11.044 -4.418 1.00 5.32 C ATOM 1489 CE2 PHE A 93 9.658 9.611 -2.926 1.00 12.32 C ATOM 1490 CZ PHE A 93 10.121 10.887 -3.280 1.00 71.53 C ATOM 0 H PHE A 93 9.259 7.932 -7.493 1.00 25.22 H new ATOM 0 HA PHE A 93 12.123 8.528 -7.305 1.00 45.32 H new ATOM 0 HB2 PHE A 93 10.236 6.773 -5.693 1.00 33.03 H new ATOM 0 HB3 PHE A 93 11.943 6.959 -5.344 1.00 33.03 H new ATOM 0 HD1 PHE A 93 11.851 10.081 -6.101 1.00 20.23 H new ATOM 0 HD2 PHE A 93 9.683 7.513 -3.417 1.00 60.31 H new ATOM 0 HE1 PHE A 93 11.311 12.021 -4.673 1.00 5.32 H new ATOM 0 HE2 PHE A 93 9.038 9.483 -2.051 1.00 12.32 H new ATOM 0 HZ PHE A 93 9.857 11.745 -2.680 1.00 71.53 H new ATOM 1500 N ASN A 94 13.089 6.207 -7.937 1.00 4.44 N ATOM 1501 CA ASN A 94 13.570 4.894 -8.373 1.00 23.41 C ATOM 1502 C ASN A 94 13.397 3.884 -7.252 1.00 32.40 C ATOM 1503 O ASN A 94 13.066 4.225 -6.116 1.00 51.43 O ATOM 1504 CB ASN A 94 15.049 4.930 -8.784 1.00 10.42 C ATOM 1505 CG ASN A 94 15.286 5.197 -10.267 1.00 50.32 C ATOM 1506 OD1 ASN A 94 16.315 4.807 -10.806 1.00 3.04 O ATOM 1507 ND2 ASN A 94 14.380 5.826 -10.990 1.00 34.12 N ATOM 0 H ASN A 94 13.822 6.859 -7.657 1.00 4.44 H new ATOM 0 HA ASN A 94 12.980 4.605 -9.243 1.00 23.41 H new ATOM 0 HB2 ASN A 94 15.556 5.701 -8.203 1.00 10.42 H new ATOM 0 HB3 ASN A 94 15.510 3.978 -8.521 1.00 10.42 H new ATOM 0 HD21 ASN A 94 14.540 5.982 -11.985 1.00 34.12 H new ATOM 0 HD22 ASN A 94 13.519 6.156 -10.554 1.00 34.12 H new ATOM 1514 N LEU A 95 13.677 2.625 -7.578 1.00 61.43 N ATOM 1515 CA LEU A 95 13.318 1.468 -6.782 1.00 4.13 C ATOM 1516 C LEU A 95 14.028 1.452 -5.420 1.00 61.44 C ATOM 1517 O LEU A 95 13.524 0.871 -4.462 1.00 4.41 O ATOM 1518 CB LEU A 95 13.587 0.210 -7.650 1.00 25.02 C ATOM 1519 CG LEU A 95 12.708 -1.044 -7.471 1.00 61.52 C ATOM 1520 CD1 LEU A 95 13.202 -1.984 -6.379 1.00 65.24 C ATOM 1521 CD2 LEU A 95 11.221 -0.739 -7.288 1.00 73.12 C ATOM 0 H LEU A 95 14.177 2.380 -8.433 1.00 61.43 H new ATOM 0 HA LEU A 95 12.261 1.495 -6.517 1.00 4.13 H new ATOM 0 HB2 LEU A 95 13.513 0.513 -8.694 1.00 25.02 H new ATOM 0 HB3 LEU A 95 14.621 -0.090 -7.478 1.00 25.02 H new ATOM 0 HG LEU A 95 12.811 -1.566 -8.422 1.00 61.52 H new ATOM 0 HD11 LEU A 95 12.535 -2.843 -6.310 1.00 65.24 H new ATOM 0 HD12 LEU A 95 14.209 -2.324 -6.620 1.00 65.24 H new ATOM 0 HD13 LEU A 95 13.216 -1.458 -5.425 1.00 65.24 H new ATOM 0 HD21 LEU A 95 10.670 -1.672 -7.169 1.00 73.12 H new ATOM 0 HD22 LEU A 95 11.083 -0.120 -6.401 1.00 73.12 H new ATOM 0 HD23 LEU A 95 10.848 -0.207 -8.163 1.00 73.12 H new ATOM 1533 N GLU A 96 15.181 2.116 -5.331 1.00 34.13 N ATOM 1534 CA GLU A 96 15.967 2.272 -4.117 1.00 25.44 C ATOM 1535 C GLU A 96 15.339 3.316 -3.195 1.00 32.05 C ATOM 1536 O GLU A 96 14.935 2.991 -2.081 1.00 33.40 O ATOM 1537 CB GLU A 96 17.406 2.596 -4.537 1.00 23.34 C ATOM 1538 CG GLU A 96 18.417 2.492 -3.388 1.00 53.20 C ATOM 1539 CD GLU A 96 18.743 3.801 -2.673 1.00 44.00 C ATOM 1540 OE1 GLU A 96 18.951 4.825 -3.363 1.00 25.43 O ATOM 1541 OE2 GLU A 96 18.918 3.757 -1.436 1.00 33.42 O ATOM 0 H GLU A 96 15.605 2.576 -6.137 1.00 34.13 H new ATOM 0 HA GLU A 96 15.982 1.355 -3.529 1.00 25.44 H new ATOM 0 HB2 GLU A 96 17.705 1.917 -5.336 1.00 23.34 H new ATOM 0 HB3 GLU A 96 17.438 3.605 -4.948 1.00 23.34 H new ATOM 0 HG2 GLU A 96 18.033 1.784 -2.654 1.00 53.20 H new ATOM 0 HG3 GLU A 96 19.344 2.073 -3.780 1.00 53.20 H new ATOM 1548 N GLU A 97 15.189 4.550 -3.677 1.00 24.31 N ATOM 1549 CA GLU A 97 14.544 5.651 -2.964 1.00 23.05 C ATOM 1550 C GLU A 97 13.145 5.248 -2.493 1.00 70.43 C ATOM 1551 O GLU A 97 12.781 5.474 -1.340 1.00 32.45 O ATOM 1552 CB GLU A 97 14.489 6.869 -3.902 1.00 51.12 C ATOM 1553 CG GLU A 97 15.812 7.639 -3.936 1.00 40.53 C ATOM 1554 CD GLU A 97 16.038 8.451 -2.658 1.00 62.24 C ATOM 1555 OE1 GLU A 97 16.536 7.900 -1.645 1.00 41.52 O ATOM 1556 OE2 GLU A 97 15.746 9.665 -2.679 1.00 55.34 O ATOM 0 H GLU A 97 15.523 4.818 -4.603 1.00 24.31 H new ATOM 0 HA GLU A 97 15.118 5.905 -2.073 1.00 23.05 H new ATOM 0 HB2 GLU A 97 14.239 6.537 -4.910 1.00 51.12 H new ATOM 0 HB3 GLU A 97 13.691 7.537 -3.579 1.00 51.12 H new ATOM 0 HG2 GLU A 97 16.636 6.938 -4.070 1.00 40.53 H new ATOM 0 HG3 GLU A 97 15.820 8.308 -4.796 1.00 40.53 H new ATOM 1563 N ALA A 98 12.386 4.572 -3.358 1.00 15.23 N ATOM 1564 CA ALA A 98 11.065 4.055 -3.051 1.00 42.42 C ATOM 1565 C ALA A 98 11.100 3.150 -1.827 1.00 70.52 C ATOM 1566 O ALA A 98 10.178 3.193 -1.004 1.00 31.14 O ATOM 1567 CB ALA A 98 10.549 3.275 -4.265 1.00 23.31 C ATOM 0 H ALA A 98 12.686 4.368 -4.311 1.00 15.23 H new ATOM 0 HA ALA A 98 10.399 4.889 -2.828 1.00 42.42 H new ATOM 0 HB1 ALA A 98 9.556 2.880 -4.049 1.00 23.31 H new ATOM 0 HB2 ALA A 98 10.495 3.939 -5.128 1.00 23.31 H new ATOM 0 HB3 ALA A 98 11.228 2.450 -4.483 1.00 23.31 H new ATOM 1573 N ALA A 99 12.127 2.304 -1.715 1.00 4.22 N ATOM 1574 CA ALA A 99 12.291 1.453 -0.558 1.00 63.04 C ATOM 1575 C ALA A 99 12.534 2.299 0.682 1.00 73.44 C ATOM 1576 O ALA A 99 11.849 2.077 1.682 1.00 44.12 O ATOM 1577 CB ALA A 99 13.394 0.417 -0.767 1.00 70.43 C ATOM 0 H ALA A 99 12.855 2.198 -2.421 1.00 4.22 H new ATOM 0 HA ALA A 99 11.368 0.892 -0.412 1.00 63.04 H new ATOM 0 HB1 ALA A 99 13.485 -0.202 0.125 1.00 70.43 H new ATOM 0 HB2 ALA A 99 13.145 -0.212 -1.622 1.00 70.43 H new ATOM 0 HB3 ALA A 99 14.340 0.925 -0.954 1.00 70.43 H new ATOM 1583 N ARG A 100 13.464 3.256 0.625 1.00 35.24 N ATOM 1584 CA ARG A 100 13.859 4.056 1.784 1.00 3.00 C ATOM 1585 C ARG A 100 12.696 4.858 2.342 1.00 24.20 C ATOM 1586 O ARG A 100 12.528 4.911 3.561 1.00 3.04 O ATOM 1587 CB ARG A 100 14.937 5.072 1.409 1.00 42.01 C ATOM 1588 CG ARG A 100 16.236 4.496 0.850 1.00 41.21 C ATOM 1589 CD ARG A 100 17.329 5.570 0.942 1.00 4.45 C ATOM 1590 NE ARG A 100 17.788 5.837 2.322 1.00 43.52 N ATOM 1591 CZ ARG A 100 18.519 5.022 3.086 1.00 71.34 C ATOM 1592 NH1 ARG A 100 18.743 3.767 2.711 1.00 10.23 N ATOM 1593 NH2 ARG A 100 19.003 5.449 4.240 1.00 33.43 N ATOM 0 H ARG A 100 13.965 3.497 -0.230 1.00 35.24 H new ATOM 0 HA ARG A 100 14.223 3.343 2.524 1.00 3.00 H new ATOM 0 HB2 ARG A 100 14.520 5.758 0.672 1.00 42.01 H new ATOM 0 HB3 ARG A 100 15.176 5.662 2.294 1.00 42.01 H new ATOM 0 HG2 ARG A 100 16.529 3.609 1.412 1.00 41.21 H new ATOM 0 HG3 ARG A 100 16.097 4.186 -0.186 1.00 41.21 H new ATOM 0 HD2 ARG A 100 18.182 5.260 0.339 1.00 4.45 H new ATOM 0 HD3 ARG A 100 16.952 6.497 0.509 1.00 4.45 H new ATOM 0 HE ARG A 100 17.520 6.732 2.731 1.00 43.52 H new ATOM 0 HH11 ARG A 100 18.355 3.420 1.834 1.00 10.23 H new ATOM 0 HH12 ARG A 100 19.303 3.151 3.300 1.00 10.23 H new ATOM 0 HH21 ARG A 100 18.818 6.403 4.549 1.00 33.43 H new ATOM 0 HH22 ARG A 100 19.561 4.824 4.822 1.00 33.43 H new ATOM 1607 N CYS A 101 11.886 5.442 1.457 1.00 61.11 N ATOM 1608 CA CYS A 101 10.665 6.147 1.810 1.00 2.41 C ATOM 1609 C CYS A 101 9.811 5.270 2.714 1.00 10.23 C ATOM 1610 O CYS A 101 9.354 5.699 3.774 1.00 25.31 O ATOM 1611 CB CYS A 101 9.918 6.499 0.518 1.00 51.32 C ATOM 1612 SG CYS A 101 10.697 7.949 -0.232 1.00 10.51 S ATOM 0 H CYS A 101 12.070 5.434 0.454 1.00 61.11 H new ATOM 0 HA CYS A 101 10.895 7.064 2.352 1.00 2.41 H new ATOM 0 HB2 CYS A 101 9.944 5.657 -0.174 1.00 51.32 H new ATOM 0 HB3 CYS A 101 8.869 6.703 0.733 1.00 51.32 H new ATOM 0 HG CYS A 101 10.127 8.207 -1.372 1.00 10.51 H new ATOM 1618 N MET A 102 9.617 4.019 2.305 1.00 60.31 N ATOM 1619 CA MET A 102 8.864 3.061 3.086 1.00 12.32 C ATOM 1620 C MET A 102 9.598 2.684 4.382 1.00 23.01 C ATOM 1621 O MET A 102 8.909 2.497 5.382 1.00 10.44 O ATOM 1622 CB MET A 102 8.521 1.854 2.207 1.00 74.24 C ATOM 1623 CG MET A 102 7.478 2.186 1.139 1.00 1.22 C ATOM 1624 SD MET A 102 5.821 2.526 1.792 1.00 61.44 S ATOM 1625 CE MET A 102 5.069 0.902 1.515 1.00 61.10 C ATOM 0 H MET A 102 9.978 3.649 1.426 1.00 60.31 H new ATOM 0 HA MET A 102 7.926 3.511 3.413 1.00 12.32 H new ATOM 0 HB2 MET A 102 9.428 1.491 1.724 1.00 74.24 H new ATOM 0 HB3 MET A 102 8.148 1.045 2.835 1.00 74.24 H new ATOM 0 HG2 MET A 102 7.818 3.054 0.574 1.00 1.22 H new ATOM 0 HG3 MET A 102 7.416 1.354 0.438 1.00 1.22 H new ATOM 0 HE1 MET A 102 4.035 0.917 1.859 1.00 61.10 H new ATOM 0 HE2 MET A 102 5.094 0.666 0.451 1.00 61.10 H new ATOM 0 HE3 MET A 102 5.625 0.145 2.068 1.00 61.10 H new ATOM 1635 N ARG A 103 10.941 2.640 4.436 1.00 61.21 N ATOM 1636 CA ARG A 103 11.682 2.365 5.686 1.00 4.40 C ATOM 1637 C ARG A 103 11.394 3.405 6.763 1.00 55.14 C ATOM 1638 O ARG A 103 11.427 3.098 7.954 1.00 5.41 O ATOM 1639 CB ARG A 103 13.214 2.284 5.480 1.00 42.25 C ATOM 1640 CG ARG A 103 13.652 1.314 4.416 1.00 0.21 C ATOM 1641 CD ARG A 103 13.065 -0.023 4.785 1.00 72.13 C ATOM 1642 NE ARG A 103 13.574 -0.512 6.085 1.00 11.33 N ATOM 1643 CZ ARG A 103 12.897 -0.961 7.145 1.00 5.42 C ATOM 1644 NH1 ARG A 103 11.598 -1.208 7.095 1.00 15.42 N ATOM 1645 NH2 ARG A 103 13.549 -1.148 8.279 1.00 10.22 N ATOM 0 H ARG A 103 11.541 2.792 3.625 1.00 61.21 H new ATOM 0 HA ARG A 103 11.323 1.389 6.011 1.00 4.40 H new ATOM 0 HB2 ARG A 103 13.586 3.276 5.224 1.00 42.25 H new ATOM 0 HB3 ARG A 103 13.680 2.002 6.424 1.00 42.25 H new ATOM 0 HG2 ARG A 103 13.303 1.633 3.434 1.00 0.21 H new ATOM 0 HG3 ARG A 103 14.739 1.259 4.366 1.00 0.21 H new ATOM 0 HD2 ARG A 103 11.979 0.057 4.828 1.00 72.13 H new ATOM 0 HD3 ARG A 103 13.300 -0.749 4.007 1.00 72.13 H new ATOM 0 HE ARG A 103 14.589 -0.505 6.186 1.00 11.33 H new ATOM 0 HH11 ARG A 103 11.083 -1.056 6.228 1.00 15.42 H new ATOM 0 HH12 ARG A 103 11.112 -1.550 7.924 1.00 15.42 H new ATOM 0 HH21 ARG A 103 14.548 -0.950 8.331 1.00 10.22 H new ATOM 0 HH22 ARG A 103 13.053 -1.490 9.102 1.00 10.22 H new ATOM 1659 N SER A 104 11.110 4.639 6.351 1.00 33.42 N ATOM 1660 CA SER A 104 10.772 5.736 7.249 1.00 44.55 C ATOM 1661 C SER A 104 9.470 5.460 8.025 1.00 51.11 C ATOM 1662 O SER A 104 9.235 6.060 9.079 1.00 23.24 O ATOM 1663 CB SER A 104 10.690 7.028 6.420 1.00 54.13 C ATOM 1664 OG SER A 104 11.083 8.138 7.198 1.00 74.10 O ATOM 0 H SER A 104 11.109 4.907 5.367 1.00 33.42 H new ATOM 0 HA SER A 104 11.548 5.842 8.007 1.00 44.55 H new ATOM 0 HB2 SER A 104 11.331 6.946 5.542 1.00 54.13 H new ATOM 0 HB3 SER A 104 9.672 7.172 6.058 1.00 54.13 H new ATOM 0 HG SER A 104 11.027 8.953 6.657 1.00 74.10 H new ATOM 1670 N LEU A 105 8.619 4.553 7.531 1.00 11.31 N ATOM 1671 CA LEU A 105 7.407 4.100 8.200 1.00 34.00 C ATOM 1672 C LEU A 105 7.821 3.167 9.330 1.00 21.32 C ATOM 1673 O LEU A 105 8.512 2.174 9.109 1.00 51.32 O ATOM 1674 CB LEU A 105 6.486 3.417 7.171 1.00 65.41 C ATOM 1675 CG LEU A 105 4.984 3.689 7.353 1.00 15.31 C ATOM 1676 CD1 LEU A 105 4.218 3.390 6.060 1.00 4.44 C ATOM 1677 CD2 LEU A 105 4.366 2.867 8.445 1.00 2.34 C ATOM 0 H LEU A 105 8.765 4.104 6.627 1.00 11.31 H new ATOM 0 HA LEU A 105 6.844 4.929 8.629 1.00 34.00 H new ATOM 0 HB2 LEU A 105 6.779 3.742 6.173 1.00 65.41 H new ATOM 0 HB3 LEU A 105 6.652 2.341 7.217 1.00 65.41 H new ATOM 0 HG LEU A 105 4.909 4.743 7.621 1.00 15.31 H new ATOM 0 HD11 LEU A 105 3.157 3.589 6.211 1.00 4.44 H new ATOM 0 HD12 LEU A 105 4.596 4.025 5.258 1.00 4.44 H new ATOM 0 HD13 LEU A 105 4.356 2.343 5.789 1.00 4.44 H new ATOM 0 HD21 LEU A 105 3.305 3.105 8.524 1.00 2.34 H new ATOM 0 HD22 LEU A 105 4.484 1.808 8.215 1.00 2.34 H new ATOM 0 HD23 LEU A 105 4.859 3.090 9.391 1.00 2.34 H new ATOM 1689 N LYS A 106 7.449 3.522 10.557 1.00 13.12 N ATOM 1690 CA LYS A 106 7.779 2.742 11.743 1.00 33.42 C ATOM 1691 C LYS A 106 7.006 1.425 11.725 1.00 33.35 C ATOM 1692 O LYS A 106 7.582 0.378 12.032 1.00 1.41 O ATOM 1693 CB LYS A 106 7.481 3.540 13.015 1.00 13.24 C ATOM 1694 CG LYS A 106 8.160 4.922 12.998 1.00 13.35 C ATOM 1695 CD LYS A 106 8.365 5.408 14.428 1.00 63.10 C ATOM 1696 CE LYS A 106 8.712 6.902 14.529 1.00 64.01 C ATOM 1697 NZ LYS A 106 7.663 7.674 15.234 1.00 70.24 N ATOM 0 H LYS A 106 6.908 4.363 10.756 1.00 13.12 H new ATOM 0 HA LYS A 106 8.846 2.519 11.737 1.00 33.42 H new ATOM 0 HB2 LYS A 106 6.403 3.666 13.120 1.00 13.24 H new ATOM 0 HB3 LYS A 106 7.823 2.978 13.884 1.00 13.24 H new ATOM 0 HG2 LYS A 106 9.119 4.861 12.483 1.00 13.35 H new ATOM 0 HG3 LYS A 106 7.546 5.633 12.446 1.00 13.35 H new ATOM 0 HD2 LYS A 106 7.458 5.215 15.001 1.00 63.10 H new ATOM 0 HD3 LYS A 106 9.163 4.827 14.889 1.00 63.10 H new ATOM 0 HE2 LYS A 106 9.660 7.018 15.053 1.00 64.01 H new ATOM 0 HE3 LYS A 106 8.849 7.310 13.528 1.00 64.01 H new ATOM 0 HZ1 LYS A 106 7.940 8.676 15.278 1.00 70.24 H new ATOM 0 HZ2 LYS A 106 6.763 7.586 14.721 1.00 70.24 H new ATOM 0 HZ3 LYS A 106 7.549 7.303 16.199 1.00 70.24 H new ATOM 1711 N ALA A 107 5.716 1.498 11.369 1.00 11.25 N ATOM 1712 CA ALA A 107 4.860 0.336 11.192 1.00 3.12 C ATOM 1713 C ALA A 107 5.357 -0.461 9.980 1.00 23.13 C ATOM 1714 O ALA A 107 5.931 0.118 9.054 1.00 43.24 O ATOM 1715 CB ALA A 107 3.399 0.791 11.017 1.00 24.44 C ATOM 0 H ALA A 107 5.239 2.383 11.195 1.00 11.25 H new ATOM 0 HA ALA A 107 4.900 -0.309 12.070 1.00 3.12 H new ATOM 0 HB1 ALA A 107 2.760 -0.082 10.885 1.00 24.44 H new ATOM 0 HB2 ALA A 107 3.081 1.343 11.902 1.00 24.44 H new ATOM 0 HB3 ALA A 107 3.321 1.434 10.141 1.00 24.44 H new ATOM 1721 N PRO A 108 5.153 -1.784 9.945 1.00 21.01 N ATOM 1722 CA PRO A 108 5.602 -2.595 8.833 1.00 13.32 C ATOM 1723 C PRO A 108 4.596 -2.485 7.690 1.00 55.50 C ATOM 1724 O PRO A 108 3.387 -2.560 7.909 1.00 60.21 O ATOM 1725 CB PRO A 108 5.678 -4.014 9.378 1.00 11.44 C ATOM 1726 CG PRO A 108 4.534 -4.032 10.387 1.00 32.44 C ATOM 1727 CD PRO A 108 4.488 -2.605 10.940 1.00 44.11 C ATOM 0 HA PRO A 108 6.567 -2.280 8.437 1.00 13.32 H new ATOM 0 HB2 PRO A 108 5.542 -4.759 8.594 1.00 11.44 H new ATOM 0 HB3 PRO A 108 6.640 -4.219 9.849 1.00 11.44 H new ATOM 0 HG2 PRO A 108 3.591 -4.305 9.913 1.00 32.44 H new ATOM 0 HG3 PRO A 108 4.715 -4.759 11.179 1.00 32.44 H new ATOM 0 HD2 PRO A 108 3.460 -2.277 11.096 1.00 44.11 H new ATOM 0 HD3 PRO A 108 4.993 -2.541 11.904 1.00 44.11 H new ATOM 1735 N ALA A 109 5.083 -2.377 6.461 1.00 45.12 N ATOM 1736 CA ALA A 109 4.271 -2.377 5.263 1.00 23.13 C ATOM 1737 C ALA A 109 4.767 -3.545 4.424 1.00 53.30 C ATOM 1738 O ALA A 109 5.932 -3.570 4.028 1.00 65.34 O ATOM 1739 CB ALA A 109 4.402 -1.027 4.556 1.00 43.34 C ATOM 0 H ALA A 109 6.081 -2.285 6.270 1.00 45.12 H new ATOM 0 HA ALA A 109 3.208 -2.503 5.466 1.00 23.13 H new ATOM 0 HB1 ALA A 109 3.790 -1.028 3.654 1.00 43.34 H new ATOM 0 HB2 ALA A 109 4.065 -0.233 5.222 1.00 43.34 H new ATOM 0 HB3 ALA A 109 5.445 -0.857 4.287 1.00 43.34 H new ATOM 1745 N VAL A 110 3.927 -4.551 4.208 1.00 23.13 N ATOM 1746 CA VAL A 110 4.259 -5.668 3.339 1.00 45.01 C ATOM 1747 C VAL A 110 4.237 -5.160 1.909 1.00 1.33 C ATOM 1748 O VAL A 110 3.167 -4.807 1.413 1.00 52.21 O ATOM 1749 CB VAL A 110 3.304 -6.847 3.543 1.00 4.11 C ATOM 1750 CG1 VAL A 110 3.649 -7.976 2.561 1.00 35.44 C ATOM 1751 CG2 VAL A 110 3.451 -7.348 4.980 1.00 44.14 C ATOM 0 H VAL A 110 3.000 -4.613 4.630 1.00 23.13 H new ATOM 0 HA VAL A 110 5.251 -6.049 3.581 1.00 45.01 H new ATOM 0 HB VAL A 110 2.277 -6.529 3.361 1.00 4.11 H new ATOM 0 HG11 VAL A 110 2.965 -8.811 2.712 1.00 35.44 H new ATOM 0 HG12 VAL A 110 3.555 -7.610 1.539 1.00 35.44 H new ATOM 0 HG13 VAL A 110 4.672 -8.309 2.734 1.00 35.44 H new ATOM 0 HG21 VAL A 110 2.777 -8.189 5.143 1.00 44.14 H new ATOM 0 HG22 VAL A 110 4.479 -7.669 5.150 1.00 44.14 H new ATOM 0 HG23 VAL A 110 3.202 -6.544 5.673 1.00 44.14 H new ATOM 1761 N VAL A 111 5.392 -5.034 1.265 1.00 72.32 N ATOM 1762 CA VAL A 111 5.405 -4.531 -0.118 1.00 11.45 C ATOM 1763 C VAL A 111 5.346 -5.720 -1.086 1.00 33.14 C ATOM 1764 O VAL A 111 5.618 -6.865 -0.706 1.00 45.41 O ATOM 1765 CB VAL A 111 6.543 -3.507 -0.373 1.00 51.33 C ATOM 1766 CG1 VAL A 111 6.303 -2.659 -1.637 1.00 71.13 C ATOM 1767 CG2 VAL A 111 6.681 -2.488 0.765 1.00 32.14 C ATOM 0 H VAL A 111 6.306 -5.262 1.655 1.00 72.32 H new ATOM 0 HA VAL A 111 4.511 -3.936 -0.306 1.00 11.45 H new ATOM 0 HB VAL A 111 7.435 -4.126 -0.469 1.00 51.33 H new ATOM 0 HG11 VAL A 111 7.129 -1.960 -1.768 1.00 71.13 H new ATOM 0 HG12 VAL A 111 6.240 -3.313 -2.507 1.00 71.13 H new ATOM 0 HG13 VAL A 111 5.371 -2.104 -1.531 1.00 71.13 H new ATOM 0 HG21 VAL A 111 7.491 -1.795 0.537 1.00 32.14 H new ATOM 0 HG22 VAL A 111 5.749 -1.934 0.872 1.00 32.14 H new ATOM 0 HG23 VAL A 111 6.902 -3.010 1.696 1.00 32.14 H new ATOM 1777 N SER A 112 4.969 -5.480 -2.340 1.00 62.54 N ATOM 1778 CA SER A 112 5.045 -6.444 -3.429 1.00 72.31 C ATOM 1779 C SER A 112 5.535 -5.750 -4.710 1.00 25.32 C ATOM 1780 O SER A 112 5.658 -4.526 -4.748 1.00 0.55 O ATOM 1781 CB SER A 112 3.681 -7.120 -3.608 1.00 23.24 C ATOM 1782 OG SER A 112 3.460 -7.988 -2.513 1.00 23.34 O ATOM 0 H SER A 112 4.590 -4.579 -2.633 1.00 62.54 H new ATOM 0 HA SER A 112 5.769 -7.225 -3.194 1.00 72.31 H new ATOM 0 HB2 SER A 112 2.892 -6.370 -3.662 1.00 23.24 H new ATOM 0 HB3 SER A 112 3.655 -7.678 -4.544 1.00 23.24 H new ATOM 0 HG SER A 112 4.177 -7.874 -1.855 1.00 23.34 H new ATOM 1788 N VAL A 113 5.823 -6.538 -5.745 1.00 24.22 N ATOM 1789 CA VAL A 113 6.300 -6.155 -7.077 1.00 63.20 C ATOM 1790 C VAL A 113 5.725 -7.172 -8.074 1.00 14.10 C ATOM 1791 O VAL A 113 5.175 -8.196 -7.660 1.00 73.00 O ATOM 1792 CB VAL A 113 7.850 -6.203 -7.148 1.00 4.20 C ATOM 1793 CG1 VAL A 113 8.511 -5.000 -6.466 1.00 0.51 C ATOM 1794 CG2 VAL A 113 8.383 -7.527 -6.573 1.00 72.43 C ATOM 0 H VAL A 113 5.720 -7.550 -5.668 1.00 24.22 H new ATOM 0 HA VAL A 113 5.982 -5.138 -7.305 1.00 63.20 H new ATOM 0 HB VAL A 113 8.119 -6.149 -8.203 1.00 4.20 H new ATOM 0 HG11 VAL A 113 9.595 -5.086 -6.546 1.00 0.51 H new ATOM 0 HG12 VAL A 113 8.183 -4.081 -6.952 1.00 0.51 H new ATOM 0 HG13 VAL A 113 8.226 -4.976 -5.414 1.00 0.51 H new ATOM 0 HG21 VAL A 113 9.471 -7.538 -6.633 1.00 72.43 H new ATOM 0 HG22 VAL A 113 8.076 -7.621 -5.531 1.00 72.43 H new ATOM 0 HG23 VAL A 113 7.979 -8.361 -7.147 1.00 72.43 H new ATOM 1804 N SER A 114 5.914 -6.936 -9.373 1.00 41.31 N ATOM 1805 CA SER A 114 5.529 -7.854 -10.433 1.00 44.53 C ATOM 1806 C SER A 114 6.563 -8.942 -10.763 1.00 3.02 C ATOM 1807 O SER A 114 6.220 -9.823 -11.556 1.00 1.11 O ATOM 1808 CB SER A 114 5.177 -7.055 -11.697 1.00 53.14 C ATOM 1809 OG SER A 114 3.935 -6.384 -11.537 1.00 2.12 O ATOM 0 H SER A 114 6.349 -6.081 -9.720 1.00 41.31 H new ATOM 0 HA SER A 114 4.662 -8.397 -10.055 1.00 44.53 H new ATOM 0 HB2 SER A 114 5.964 -6.330 -11.906 1.00 53.14 H new ATOM 0 HB3 SER A 114 5.126 -7.726 -12.555 1.00 53.14 H new ATOM 0 HG SER A 114 3.729 -5.879 -12.351 1.00 2.12 H new ATOM 1815 N SER A 115 7.778 -8.953 -10.196 1.00 21.04 N ATOM 1816 CA SER A 115 8.777 -9.985 -10.492 1.00 13.14 C ATOM 1817 C SER A 115 9.481 -10.417 -9.207 1.00 71.14 C ATOM 1818 O SER A 115 9.758 -9.567 -8.363 1.00 61.13 O ATOM 1819 CB SER A 115 9.826 -9.449 -11.472 1.00 53.34 C ATOM 1820 OG SER A 115 9.279 -9.263 -12.761 1.00 23.14 O ATOM 0 H SER A 115 8.092 -8.252 -9.525 1.00 21.04 H new ATOM 0 HA SER A 115 8.264 -10.837 -10.938 1.00 13.14 H new ATOM 0 HB2 SER A 115 10.221 -8.503 -11.103 1.00 53.34 H new ATOM 0 HB3 SER A 115 10.664 -10.144 -11.527 1.00 53.34 H new ATOM 0 HG SER A 115 9.971 -8.919 -13.364 1.00 23.14 H new ATOM 1826 N PRO A 116 9.842 -11.702 -9.058 1.00 13.41 N ATOM 1827 CA PRO A 116 10.523 -12.194 -7.873 1.00 5.14 C ATOM 1828 C PRO A 116 11.903 -11.557 -7.731 1.00 53.53 C ATOM 1829 O PRO A 116 12.327 -11.280 -6.617 1.00 33.13 O ATOM 1830 CB PRO A 116 10.602 -13.710 -8.044 1.00 11.20 C ATOM 1831 CG PRO A 116 10.591 -13.897 -9.553 1.00 21.14 C ATOM 1832 CD PRO A 116 9.674 -12.773 -10.023 1.00 70.22 C ATOM 0 HA PRO A 116 9.990 -11.935 -6.958 1.00 5.14 H new ATOM 0 HB2 PRO A 116 11.508 -14.118 -7.595 1.00 11.20 H new ATOM 0 HB3 PRO A 116 9.758 -14.212 -7.571 1.00 11.20 H new ATOM 0 HG2 PRO A 116 11.590 -13.809 -9.979 1.00 21.14 H new ATOM 0 HG3 PRO A 116 10.208 -14.877 -9.837 1.00 21.14 H new ATOM 0 HD2 PRO A 116 9.942 -12.442 -11.026 1.00 70.22 H new ATOM 0 HD3 PRO A 116 8.637 -13.105 -10.064 1.00 70.22 H new ATOM 1840 N ASP A 117 12.604 -11.257 -8.823 1.00 44.32 N ATOM 1841 CA ASP A 117 13.978 -10.757 -8.780 1.00 71.44 C ATOM 1842 C ASP A 117 14.052 -9.465 -7.969 1.00 23.44 C ATOM 1843 O ASP A 117 14.987 -9.249 -7.196 1.00 23.34 O ATOM 1844 CB ASP A 117 14.548 -10.437 -10.185 1.00 43.33 C ATOM 1845 CG ASP A 117 14.224 -11.359 -11.365 1.00 34.03 C ATOM 1846 OD1 ASP A 117 13.264 -12.155 -11.299 1.00 34.22 O ATOM 1847 OD2 ASP A 117 14.852 -11.151 -12.430 1.00 1.32 O ATOM 0 H ASP A 117 12.233 -11.354 -9.768 1.00 44.32 H new ATOM 0 HA ASP A 117 14.565 -11.555 -8.325 1.00 71.44 H new ATOM 0 HB2 ASP A 117 14.211 -9.436 -10.452 1.00 43.33 H new ATOM 0 HB3 ASP A 117 15.633 -10.394 -10.094 1.00 43.33 H new ATOM 1852 N ALA A 118 13.029 -8.622 -8.128 1.00 11.44 N ATOM 1853 CA ALA A 118 12.971 -7.292 -7.553 1.00 3.13 C ATOM 1854 C ALA A 118 12.797 -7.363 -6.038 1.00 70.14 C ATOM 1855 O ALA A 118 13.082 -6.387 -5.360 1.00 41.43 O ATOM 1856 CB ALA A 118 11.841 -6.493 -8.217 1.00 3.14 C ATOM 0 H ALA A 118 12.201 -8.859 -8.675 1.00 11.44 H new ATOM 0 HA ALA A 118 13.913 -6.777 -7.743 1.00 3.13 H new ATOM 0 HB1 ALA A 118 11.799 -5.494 -7.784 1.00 3.14 H new ATOM 0 HB2 ALA A 118 12.030 -6.417 -9.288 1.00 3.14 H new ATOM 0 HB3 ALA A 118 10.891 -7.001 -8.052 1.00 3.14 H new ATOM 1862 N VAL A 119 12.360 -8.500 -5.498 1.00 21.41 N ATOM 1863 CA VAL A 119 12.229 -8.746 -4.072 1.00 71.31 C ATOM 1864 C VAL A 119 13.618 -8.686 -3.433 1.00 61.44 C ATOM 1865 O VAL A 119 13.831 -7.856 -2.554 1.00 32.40 O ATOM 1866 CB VAL A 119 11.492 -10.082 -3.855 1.00 42.32 C ATOM 1867 CG1 VAL A 119 11.124 -10.300 -2.375 1.00 1.25 C ATOM 1868 CG2 VAL A 119 10.164 -10.114 -4.629 1.00 41.44 C ATOM 0 H VAL A 119 12.079 -9.300 -6.065 1.00 21.41 H new ATOM 0 HA VAL A 119 11.626 -7.982 -3.581 1.00 71.31 H new ATOM 0 HB VAL A 119 12.177 -10.855 -4.202 1.00 42.32 H new ATOM 0 HG11 VAL A 119 10.606 -11.253 -2.265 1.00 1.25 H new ATOM 0 HG12 VAL A 119 12.032 -10.309 -1.772 1.00 1.25 H new ATOM 0 HG13 VAL A 119 10.473 -9.493 -2.039 1.00 1.25 H new ATOM 0 HG21 VAL A 119 9.666 -11.068 -4.457 1.00 41.44 H new ATOM 0 HG22 VAL A 119 9.523 -9.303 -4.285 1.00 41.44 H new ATOM 0 HG23 VAL A 119 10.361 -9.994 -5.694 1.00 41.44 H new ATOM 1878 N THR A 120 14.586 -9.480 -3.893 1.00 70.52 N ATOM 1879 CA THR A 120 15.956 -9.406 -3.396 1.00 43.45 C ATOM 1880 C THR A 120 16.498 -7.977 -3.512 1.00 4.51 C ATOM 1881 O THR A 120 17.012 -7.443 -2.523 1.00 70.33 O ATOM 1882 CB THR A 120 16.817 -10.408 -4.179 1.00 15.40 C ATOM 1883 OG1 THR A 120 16.499 -11.733 -3.811 1.00 71.54 O ATOM 1884 CG2 THR A 120 18.313 -10.215 -3.951 1.00 11.25 C ATOM 0 H THR A 120 14.442 -10.186 -4.615 1.00 70.52 H new ATOM 0 HA THR A 120 15.984 -9.668 -2.338 1.00 43.45 H new ATOM 0 HB THR A 120 16.595 -10.225 -5.230 1.00 15.40 H new ATOM 0 HG1 THR A 120 17.056 -12.357 -4.321 1.00 71.54 H new ATOM 0 HG21 THR A 120 18.868 -10.953 -4.531 1.00 11.25 H new ATOM 0 HG22 THR A 120 18.603 -9.213 -4.267 1.00 11.25 H new ATOM 0 HG23 THR A 120 18.539 -10.342 -2.892 1.00 11.25 H new ATOM 1892 N THR A 121 16.379 -7.375 -4.700 1.00 12.44 N ATOM 1893 CA THR A 121 16.901 -6.052 -4.998 1.00 73.14 C ATOM 1894 C THR A 121 16.348 -5.041 -3.985 1.00 44.01 C ATOM 1895 O THR A 121 17.134 -4.393 -3.289 1.00 51.14 O ATOM 1896 CB THR A 121 16.556 -5.718 -6.462 1.00 65.32 C ATOM 1897 OG1 THR A 121 16.895 -6.798 -7.318 1.00 23.13 O ATOM 1898 CG2 THR A 121 17.246 -4.459 -6.982 1.00 63.01 C ATOM 0 H THR A 121 15.906 -7.809 -5.493 1.00 12.44 H new ATOM 0 HA THR A 121 17.986 -6.012 -4.900 1.00 73.14 H new ATOM 0 HB THR A 121 15.481 -5.538 -6.470 1.00 65.32 H new ATOM 0 HG1 THR A 121 16.667 -6.567 -8.243 1.00 23.13 H new ATOM 0 HG21 THR A 121 16.956 -4.287 -8.019 1.00 63.01 H new ATOM 0 HG22 THR A 121 16.948 -3.604 -6.375 1.00 63.01 H new ATOM 0 HG23 THR A 121 18.327 -4.586 -6.924 1.00 63.01 H new ATOM 1906 N TYR A 122 15.019 -4.952 -3.863 1.00 21.32 N ATOM 1907 CA TYR A 122 14.319 -4.047 -2.963 1.00 64.13 C ATOM 1908 C TYR A 122 14.760 -4.279 -1.515 1.00 22.25 C ATOM 1909 O TYR A 122 15.131 -3.327 -0.838 1.00 14.32 O ATOM 1910 CB TYR A 122 12.797 -4.166 -3.196 1.00 5.50 C ATOM 1911 CG TYR A 122 11.932 -3.191 -2.415 1.00 31.44 C ATOM 1912 CD1 TYR A 122 11.576 -3.456 -1.078 1.00 33.24 C ATOM 1913 CD2 TYR A 122 11.428 -2.040 -3.049 1.00 41.23 C ATOM 1914 CE1 TYR A 122 10.718 -2.578 -0.387 1.00 1.32 C ATOM 1915 CE2 TYR A 122 10.578 -1.156 -2.367 1.00 62.42 C ATOM 1916 CZ TYR A 122 10.217 -1.427 -1.034 1.00 4.21 C ATOM 1917 OH TYR A 122 9.422 -0.559 -0.353 1.00 13.50 O ATOM 0 H TYR A 122 14.384 -5.532 -4.411 1.00 21.32 H new ATOM 0 HA TYR A 122 14.583 -3.011 -3.178 1.00 64.13 H new ATOM 0 HB2 TYR A 122 12.599 -4.028 -4.259 1.00 5.50 H new ATOM 0 HB3 TYR A 122 12.488 -5.180 -2.943 1.00 5.50 H new ATOM 0 HD1 TYR A 122 11.962 -4.334 -0.582 1.00 33.24 H new ATOM 0 HD2 TYR A 122 11.699 -1.834 -4.074 1.00 41.23 H new ATOM 0 HE1 TYR A 122 10.444 -2.785 0.637 1.00 1.32 H new ATOM 0 HE2 TYR A 122 10.203 -0.273 -2.862 1.00 62.42 H new ATOM 0 HH TYR A 122 9.164 0.180 -0.943 1.00 13.50 H new ATOM 1927 N ASN A 123 14.809 -5.529 -1.042 1.00 35.14 N ATOM 1928 CA ASN A 123 15.120 -5.851 0.359 1.00 21.51 C ATOM 1929 C ASN A 123 16.490 -5.335 0.799 1.00 31.02 C ATOM 1930 O ASN A 123 16.633 -4.935 1.954 1.00 32.34 O ATOM 1931 CB ASN A 123 15.028 -7.370 0.625 1.00 71.24 C ATOM 1932 CG ASN A 123 13.835 -7.769 1.491 1.00 72.32 C ATOM 1933 OD1 ASN A 123 13.489 -7.115 2.470 1.00 2.11 O ATOM 1934 ND2 ASN A 123 13.151 -8.848 1.136 1.00 40.42 N ATOM 0 H ASN A 123 14.634 -6.350 -1.621 1.00 35.14 H new ATOM 0 HA ASN A 123 14.365 -5.336 0.953 1.00 21.51 H new ATOM 0 HB2 ASN A 123 14.965 -7.894 -0.329 1.00 71.24 H new ATOM 0 HB3 ASN A 123 15.946 -7.701 1.111 1.00 71.24 H new ATOM 0 HD21 ASN A 123 12.336 -9.136 1.677 1.00 40.42 H new ATOM 0 HD22 ASN A 123 13.440 -9.390 0.322 1.00 40.42 H new ATOM 1941 N GLY A 124 17.495 -5.310 -0.081 1.00 75.11 N ATOM 1942 CA GLY A 124 18.808 -4.790 0.293 1.00 12.33 C ATOM 1943 C GLY A 124 18.777 -3.280 0.544 1.00 63.54 C ATOM 1944 O GLY A 124 19.462 -2.780 1.439 1.00 33.02 O ATOM 0 H GLY A 124 17.425 -5.639 -1.044 1.00 75.11 H new ATOM 0 HA2 GLY A 124 19.157 -5.300 1.191 1.00 12.33 H new ATOM 0 HA3 GLY A 124 19.524 -5.011 -0.498 1.00 12.33 H new ATOM 1948 N TYR A 125 17.932 -2.553 -0.193 1.00 11.33 N ATOM 1949 CA TYR A 125 17.782 -1.110 -0.051 1.00 73.50 C ATOM 1950 C TYR A 125 17.152 -0.719 1.286 1.00 11.14 C ATOM 1951 O TYR A 125 17.171 0.462 1.634 1.00 63.12 O ATOM 1952 CB TYR A 125 16.937 -0.555 -1.206 1.00 62.13 C ATOM 1953 CG TYR A 125 17.437 -0.861 -2.608 1.00 3.20 C ATOM 1954 CD1 TYR A 125 18.814 -0.820 -2.901 1.00 11.14 C ATOM 1955 CD2 TYR A 125 16.515 -1.093 -3.646 1.00 11.23 C ATOM 1956 CE1 TYR A 125 19.269 -1.027 -4.210 1.00 54.15 C ATOM 1957 CE2 TYR A 125 16.960 -1.295 -4.963 1.00 2.42 C ATOM 1958 CZ TYR A 125 18.345 -1.279 -5.243 1.00 53.51 C ATOM 1959 OH TYR A 125 18.813 -1.479 -6.501 1.00 74.21 O ATOM 0 H TYR A 125 17.330 -2.957 -0.910 1.00 11.33 H new ATOM 0 HA TYR A 125 18.782 -0.677 -0.080 1.00 73.50 H new ATOM 0 HB2 TYR A 125 15.925 -0.947 -1.110 1.00 62.13 H new ATOM 0 HB3 TYR A 125 16.871 0.527 -1.094 1.00 62.13 H new ATOM 0 HD1 TYR A 125 19.525 -0.628 -2.111 1.00 11.14 H new ATOM 0 HD2 TYR A 125 15.457 -1.116 -3.428 1.00 11.23 H new ATOM 0 HE1 TYR A 125 20.327 -0.993 -4.427 1.00 54.15 H new ATOM 0 HE2 TYR A 125 16.247 -1.462 -5.757 1.00 2.42 H new ATOM 0 HH TYR A 125 18.061 -1.642 -7.108 1.00 74.21 H new ATOM 1969 N LEU A 126 16.630 -1.679 2.063 1.00 35.34 N ATOM 1970 CA LEU A 126 15.975 -1.387 3.334 1.00 4.01 C ATOM 1971 C LEU A 126 16.969 -0.880 4.397 1.00 31.24 C ATOM 1972 O LEU A 126 16.540 -0.494 5.492 1.00 72.50 O ATOM 1973 CB LEU A 126 15.182 -2.563 3.888 1.00 41.01 C ATOM 1974 CG LEU A 126 14.037 -3.111 3.009 1.00 11.21 C ATOM 1975 CD1 LEU A 126 12.792 -3.305 3.852 1.00 43.31 C ATOM 1976 CD2 LEU A 126 13.564 -2.256 1.827 1.00 41.42 C ATOM 0 H LEU A 126 16.652 -2.671 1.825 1.00 35.34 H new ATOM 0 HA LEU A 126 15.266 -0.591 3.108 1.00 4.01 H new ATOM 0 HB2 LEU A 126 15.878 -3.378 4.085 1.00 41.01 H new ATOM 0 HB3 LEU A 126 14.760 -2.265 4.848 1.00 41.01 H new ATOM 0 HG LEU A 126 14.485 -4.016 2.600 1.00 11.21 H new ATOM 0 HD11 LEU A 126 11.987 -3.692 3.228 1.00 43.31 H new ATOM 0 HD12 LEU A 126 13.002 -4.013 4.653 1.00 43.31 H new ATOM 0 HD13 LEU A 126 12.491 -2.350 4.282 1.00 43.31 H new ATOM 0 HD21 LEU A 126 12.757 -2.771 1.305 1.00 41.42 H new ATOM 0 HD22 LEU A 126 13.203 -1.295 2.194 1.00 41.42 H new ATOM 0 HD23 LEU A 126 14.395 -2.093 1.140 1.00 41.42 H new