USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1020 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 6 THR OG1 : rot 89:sc= 1.22 USER MOD Set 1.2: A 123 ASN : amide:sc= 1.78 K(o=3,f=-7.8!) USER MOD Set 2.1: A 62 THR OG1 : rot 35:sc= 0.798 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 148:sc= 1.95 (180deg=0.264) USER MOD Set 3.1: A 46 LYS NZ :NH3+ -125:sc= 0.279 (180deg=-0.0644) USER MOD Set 3.2: A 48 GLN : amide:sc= 0.39 K(o=0.67,f=-3.2) USER MOD Set 4.1: A 41 LYS NZ :NH3+ -177:sc= 2.16 (180deg=1.31) USER MOD Set 4.2: A 42 TYR OH : rot 174:sc= 1.61 USER MOD Set 5.1: A 14 MET CE :methyl -113:sc= -0.822 (180deg=-2.74!) USER MOD Set 5.2: A 83 THR OG1 : rot 170:sc= 0 USER MOD Set 5.3: A 84 MET CE :methyl -175:sc= -0.266 (180deg=-0.106) USER MOD Set 5.4: A 112 SER OG : rot 170:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.125 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.75) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 130:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.744 K(o=0.74,f=-4.9!) USER MOD Single : A 17 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.043) USER MOD Single : A 21 THR OG1 : rot -52:sc= 1.26 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 170:sc= -2.45 (180deg=-2.94) USER MOD Single : A 28 CYS SG : rot 4:sc= 0.978 USER MOD Single : A 29 MET CE :methyl 178:sc= -0.688 (180deg=-0.709) USER MOD Single : A 35 MET CE :methyl -144:sc= -0.782 (180deg=-0.95) USER MOD Single : A 37 THR OG1 : rot -140:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0891 F(o=-1.3,f=-0.089) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= 0.644 (180deg=0.477) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 16:sc= 1.96 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 150:sc= 0 USER MOD Single : A 72 THR OG1 : rot 80:sc= 0.835 USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 0.957 (180deg=0.957) USER MOD Single : A 75 ASN : amide:sc= 0.788 K(o=0.79,f=-7.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.32) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 58:sc= 0.605 USER MOD Single : A 91 HIS : no HE2:sc= -0.0205 K(o=-0.02,f=-1) USER MOD Single : A 94 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 101 CYS SG : rot 168:sc= 1.45 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 63:sc= 0.0979 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0288 USER MOD Single : A 122 TYR OH : rot 110:sc= -0.0614 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.113 -17.551 3.472 1.00 11.34 N ATOM 2 CA GLY A 1 2.069 -17.586 4.583 1.00 55.23 C ATOM 3 C GLY A 1 1.705 -16.546 5.631 1.00 54.10 C ATOM 4 O GLY A 1 0.639 -15.931 5.566 1.00 44.14 O ATOM 0 H1 GLY A 1 0.734 -18.506 3.310 1.00 11.34 H new ATOM 0 H2 GLY A 1 0.333 -16.904 3.705 1.00 11.34 H new ATOM 0 H3 GLY A 1 1.593 -17.218 2.611 1.00 11.34 H new ATOM 0 HA2 GLY A 1 2.076 -18.578 5.034 1.00 55.23 H new ATOM 0 HA3 GLY A 1 3.076 -17.398 4.210 1.00 55.23 H new ATOM 8 N SER A 2 2.599 -16.303 6.590 1.00 12.21 N ATOM 9 CA SER A 2 2.494 -15.177 7.503 1.00 21.35 C ATOM 10 C SER A 2 3.915 -14.782 7.907 1.00 24.32 C ATOM 11 O SER A 2 4.474 -15.332 8.860 1.00 64.11 O ATOM 12 CB SER A 2 1.580 -15.539 8.681 1.00 73.53 C ATOM 13 OG SER A 2 0.920 -14.393 9.185 1.00 71.31 O ATOM 0 H SER A 2 3.419 -16.888 6.752 1.00 12.21 H new ATOM 0 HA SER A 2 2.026 -14.310 7.037 1.00 21.35 H new ATOM 0 HB2 SER A 2 0.843 -16.275 8.360 1.00 73.53 H new ATOM 0 HB3 SER A 2 2.169 -16.001 9.473 1.00 73.53 H new ATOM 0 HG SER A 2 0.343 -14.651 9.934 1.00 71.31 H new ATOM 19 N HIS A 3 4.541 -13.882 7.145 1.00 41.44 N ATOM 20 CA HIS A 3 5.873 -13.360 7.431 1.00 23.23 C ATOM 21 C HIS A 3 6.029 -11.970 6.809 1.00 63.22 C ATOM 22 O HIS A 3 5.269 -11.609 5.903 1.00 33.14 O ATOM 23 CB HIS A 3 6.945 -14.325 6.891 1.00 11.51 C ATOM 24 CG HIS A 3 8.309 -14.032 7.456 1.00 70.54 C ATOM 25 ND1 HIS A 3 9.382 -13.492 6.780 1.00 3.30 N ATOM 26 CD2 HIS A 3 8.658 -14.149 8.773 1.00 73.50 C ATOM 27 CE1 HIS A 3 10.362 -13.286 7.676 1.00 74.24 C ATOM 28 NE2 HIS A 3 9.952 -13.644 8.906 1.00 71.55 N ATOM 0 H HIS A 3 4.127 -13.491 6.299 1.00 41.44 H new ATOM 0 HA HIS A 3 6.003 -13.274 8.510 1.00 23.23 H new ATOM 0 HB2 HIS A 3 6.665 -15.350 7.135 1.00 11.51 H new ATOM 0 HB3 HIS A 3 6.981 -14.254 5.804 1.00 11.51 H new ATOM 0 HD2 HIS A 3 8.046 -14.557 9.564 1.00 73.50 H new ATOM 0 HE1 HIS A 3 11.339 -12.890 7.442 1.00 74.24 H new ATOM 0 HE2 HIS A 3 10.486 -13.562 9.771 1.00 71.55 H new ATOM 36 N MET A 4 7.038 -11.217 7.249 1.00 13.04 N ATOM 37 CA MET A 4 7.313 -9.858 6.796 1.00 54.12 C ATOM 38 C MET A 4 8.470 -9.859 5.793 1.00 61.13 C ATOM 39 O MET A 4 9.103 -10.892 5.562 1.00 10.13 O ATOM 40 CB MET A 4 7.573 -8.936 8.004 1.00 60.34 C ATOM 41 CG MET A 4 6.279 -8.483 8.697 1.00 64.31 C ATOM 42 SD MET A 4 5.203 -9.772 9.394 1.00 72.04 S ATOM 43 CE MET A 4 3.799 -8.726 9.856 1.00 24.53 C ATOM 0 H MET A 4 7.703 -11.547 7.949 1.00 13.04 H new ATOM 0 HA MET A 4 6.441 -9.462 6.276 1.00 54.12 H new ATOM 0 HB2 MET A 4 8.202 -9.458 8.725 1.00 60.34 H new ATOM 0 HB3 MET A 4 8.129 -8.059 7.673 1.00 60.34 H new ATOM 0 HG2 MET A 4 6.550 -7.800 9.502 1.00 64.31 H new ATOM 0 HG3 MET A 4 5.695 -7.911 7.977 1.00 64.31 H new ATOM 0 HE1 MET A 4 3.021 -9.341 10.308 1.00 24.53 H new ATOM 0 HE2 MET A 4 4.127 -7.972 10.571 1.00 24.53 H new ATOM 0 HE3 MET A 4 3.403 -8.235 8.967 1.00 24.53 H new ATOM 53 N GLY A 5 8.755 -8.711 5.185 1.00 24.41 N ATOM 54 CA GLY A 5 9.690 -8.549 4.081 1.00 51.24 C ATOM 55 C GLY A 5 8.948 -7.995 2.867 1.00 44.03 C ATOM 56 O GLY A 5 7.715 -7.905 2.861 1.00 71.53 O ATOM 0 H GLY A 5 8.320 -7.831 5.462 1.00 24.41 H new ATOM 0 HA2 GLY A 5 10.496 -7.874 4.368 1.00 51.24 H new ATOM 0 HA3 GLY A 5 10.149 -9.506 3.835 1.00 51.24 H new ATOM 60 N THR A 6 9.694 -7.583 1.848 1.00 62.23 N ATOM 61 CA THR A 6 9.165 -7.293 0.515 1.00 0.15 C ATOM 62 C THR A 6 8.905 -8.654 -0.158 1.00 51.54 C ATOM 63 O THR A 6 9.623 -9.611 0.145 1.00 30.43 O ATOM 64 CB THR A 6 10.223 -6.479 -0.262 1.00 51.03 C ATOM 65 OG1 THR A 6 10.946 -5.588 0.579 1.00 20.10 O ATOM 66 CG2 THR A 6 9.613 -5.636 -1.371 1.00 13.13 C ATOM 0 H THR A 6 10.701 -7.438 1.924 1.00 62.23 H new ATOM 0 HA THR A 6 8.244 -6.711 0.545 1.00 0.15 H new ATOM 0 HB THR A 6 10.889 -7.232 -0.683 1.00 51.03 H new ATOM 0 HG1 THR A 6 11.726 -6.050 0.951 1.00 20.10 H new ATOM 0 HG21 THR A 6 10.401 -5.085 -1.884 1.00 13.13 H new ATOM 0 HG22 THR A 6 9.102 -6.285 -2.082 1.00 13.13 H new ATOM 0 HG23 THR A 6 8.898 -4.933 -0.943 1.00 13.13 H new ATOM 74 N VAL A 7 7.912 -8.765 -1.049 1.00 61.21 N ATOM 75 CA VAL A 7 7.496 -10.022 -1.688 1.00 1.31 C ATOM 76 C VAL A 7 6.974 -9.787 -3.121 1.00 52.41 C ATOM 77 O VAL A 7 6.982 -8.653 -3.596 1.00 41.40 O ATOM 78 CB VAL A 7 6.448 -10.734 -0.812 1.00 22.44 C ATOM 79 CG1 VAL A 7 6.957 -11.143 0.578 1.00 71.40 C ATOM 80 CG2 VAL A 7 5.176 -9.889 -0.615 1.00 33.13 C ATOM 0 H VAL A 7 7.361 -7.963 -1.354 1.00 61.21 H new ATOM 0 HA VAL A 7 8.369 -10.669 -1.777 1.00 1.31 H new ATOM 0 HB VAL A 7 6.222 -11.639 -1.376 1.00 22.44 H new ATOM 0 HG11 VAL A 7 6.156 -11.637 1.128 1.00 71.40 H new ATOM 0 HG12 VAL A 7 7.799 -11.827 0.470 1.00 71.40 H new ATOM 0 HG13 VAL A 7 7.278 -10.256 1.124 1.00 71.40 H new ATOM 0 HG21 VAL A 7 4.469 -10.436 0.009 1.00 33.13 H new ATOM 0 HG22 VAL A 7 5.436 -8.948 -0.131 1.00 33.13 H new ATOM 0 HG23 VAL A 7 4.721 -9.685 -1.584 1.00 33.13 H new ATOM 90 N SER A 8 6.505 -10.824 -3.826 1.00 12.31 N ATOM 91 CA SER A 8 6.113 -10.787 -5.244 1.00 64.02 C ATOM 92 C SER A 8 4.650 -11.199 -5.473 1.00 0.15 C ATOM 93 O SER A 8 4.287 -11.713 -6.533 1.00 60.15 O ATOM 94 CB SER A 8 7.110 -11.606 -6.080 1.00 40.50 C ATOM 95 OG SER A 8 7.649 -12.737 -5.397 1.00 52.40 O ATOM 0 H SER A 8 6.383 -11.748 -3.411 1.00 12.31 H new ATOM 0 HA SER A 8 6.159 -9.752 -5.583 1.00 64.02 H new ATOM 0 HB2 SER A 8 6.613 -11.946 -6.989 1.00 40.50 H new ATOM 0 HB3 SER A 8 7.929 -10.957 -6.389 1.00 40.50 H new ATOM 0 HG SER A 8 7.561 -13.533 -5.962 1.00 52.40 H new ATOM 101 N TRP A 9 3.792 -11.030 -4.465 1.00 0.32 N ATOM 102 CA TRP A 9 2.378 -11.376 -4.570 1.00 12.33 C ATOM 103 C TRP A 9 1.704 -10.528 -5.647 1.00 0.32 C ATOM 104 O TRP A 9 2.023 -9.348 -5.804 1.00 20.13 O ATOM 105 CB TRP A 9 1.698 -11.171 -3.220 1.00 4.05 C ATOM 106 CG TRP A 9 2.304 -11.924 -2.086 1.00 31.11 C ATOM 107 CD1 TRP A 9 3.098 -13.013 -2.186 1.00 52.33 C ATOM 108 CD2 TRP A 9 2.188 -11.638 -0.671 1.00 5.11 C ATOM 109 NE1 TRP A 9 3.532 -13.383 -0.930 1.00 54.22 N ATOM 110 CE2 TRP A 9 2.981 -12.579 0.044 1.00 71.23 C ATOM 111 CE3 TRP A 9 1.497 -10.671 0.080 1.00 34.52 C ATOM 112 CZ2 TRP A 9 3.111 -12.537 1.437 1.00 42.11 C ATOM 113 CZ3 TRP A 9 1.552 -10.670 1.482 1.00 35.01 C ATOM 114 CH2 TRP A 9 2.373 -11.586 2.159 1.00 63.42 C ATOM 0 H TRP A 9 4.059 -10.650 -3.557 1.00 0.32 H new ATOM 0 HA TRP A 9 2.285 -12.424 -4.855 1.00 12.33 H new ATOM 0 HB2 TRP A 9 1.715 -10.108 -2.980 1.00 4.05 H new ATOM 0 HB3 TRP A 9 0.651 -11.461 -3.310 1.00 4.05 H new ATOM 0 HD1 TRP A 9 3.353 -13.516 -3.107 1.00 52.33 H new ATOM 0 HE1 TRP A 9 4.177 -14.152 -0.746 1.00 54.22 H new ATOM 0 HE3 TRP A 9 0.915 -9.918 -0.430 1.00 34.52 H new ATOM 0 HZ2 TRP A 9 3.768 -13.225 1.948 1.00 42.11 H new ATOM 0 HZ3 TRP A 9 0.960 -9.962 2.043 1.00 35.01 H new ATOM 0 HH2 TRP A 9 2.437 -11.559 3.237 1.00 63.42 H new ATOM 125 N ASN A 10 0.752 -11.140 -6.357 1.00 64.30 N ATOM 126 CA ASN A 10 -0.020 -10.499 -7.413 1.00 70.51 C ATOM 127 C ASN A 10 -1.043 -9.560 -6.761 1.00 45.44 C ATOM 128 O ASN A 10 -1.322 -9.708 -5.576 1.00 61.11 O ATOM 129 CB ASN A 10 -0.618 -11.624 -8.285 1.00 51.24 C ATOM 130 CG ASN A 10 -2.077 -11.441 -8.634 1.00 35.53 C ATOM 131 OD1 ASN A 10 -2.965 -11.750 -7.849 1.00 73.04 O ATOM 132 ND2 ASN A 10 -2.394 -10.988 -9.821 1.00 1.22 N ATOM 0 H ASN A 10 0.495 -12.116 -6.207 1.00 64.30 H new ATOM 0 HA ASN A 10 0.573 -9.869 -8.075 1.00 70.51 H new ATOM 0 HB2 ASN A 10 -0.043 -11.695 -9.208 1.00 51.24 H new ATOM 0 HB3 ASN A 10 -0.499 -12.573 -7.762 1.00 51.24 H new ATOM 0 HD21 ASN A 10 -3.375 -10.895 -10.086 1.00 1.22 H new ATOM 0 HD22 ASN A 10 -1.660 -10.728 -10.480 1.00 1.22 H new ATOM 139 N LEU A 11 -1.639 -8.614 -7.494 1.00 24.52 N ATOM 140 CA LEU A 11 -2.589 -7.674 -6.894 1.00 32.23 C ATOM 141 C LEU A 11 -3.763 -8.394 -6.237 1.00 35.32 C ATOM 142 O LEU A 11 -4.058 -8.099 -5.090 1.00 1.31 O ATOM 143 CB LEU A 11 -3.023 -6.610 -7.908 1.00 54.11 C ATOM 144 CG LEU A 11 -3.843 -5.435 -7.332 1.00 14.50 C ATOM 145 CD1 LEU A 11 -5.335 -5.735 -7.167 1.00 5.03 C ATOM 146 CD2 LEU A 11 -3.303 -4.888 -6.006 1.00 74.21 C ATOM 0 H LEU A 11 -1.482 -8.480 -8.493 1.00 24.52 H new ATOM 0 HA LEU A 11 -2.080 -7.146 -6.087 1.00 32.23 H new ATOM 0 HB2 LEU A 11 -2.132 -6.207 -8.388 1.00 54.11 H new ATOM 0 HB3 LEU A 11 -3.613 -7.094 -8.686 1.00 54.11 H new ATOM 0 HG LEU A 11 -3.726 -4.669 -8.098 1.00 14.50 H new ATOM 0 HD11 LEU A 11 -5.839 -4.860 -6.757 1.00 5.03 H new ATOM 0 HD12 LEU A 11 -5.766 -5.981 -8.137 1.00 5.03 H new ATOM 0 HD13 LEU A 11 -5.464 -6.578 -6.488 1.00 5.03 H new ATOM 0 HD21 LEU A 11 -3.934 -4.066 -5.668 1.00 74.21 H new ATOM 0 HD22 LEU A 11 -3.307 -5.680 -5.257 1.00 74.21 H new ATOM 0 HD23 LEU A 11 -2.284 -4.529 -6.149 1.00 74.21 H new ATOM 158 N ARG A 12 -4.445 -9.348 -6.879 1.00 3.01 N ATOM 159 CA ARG A 12 -5.554 -10.033 -6.203 1.00 24.44 C ATOM 160 C ARG A 12 -5.057 -10.865 -5.021 1.00 23.15 C ATOM 161 O ARG A 12 -5.755 -10.975 -4.016 1.00 3.04 O ATOM 162 CB ARG A 12 -6.277 -10.934 -7.207 1.00 4.15 C ATOM 163 CG ARG A 12 -7.792 -10.955 -6.964 1.00 25.41 C ATOM 164 CD ARG A 12 -8.499 -11.487 -8.205 1.00 41.12 C ATOM 165 NE ARG A 12 -8.189 -12.904 -8.460 1.00 64.44 N ATOM 166 CZ ARG A 12 -7.394 -13.381 -9.425 1.00 54.32 C ATOM 167 NH1 ARG A 12 -6.921 -12.570 -10.369 1.00 13.55 N ATOM 168 NH2 ARG A 12 -7.071 -14.663 -9.446 1.00 0.21 N ATOM 0 H ARG A 12 -4.259 -9.657 -7.833 1.00 3.01 H new ATOM 0 HA ARG A 12 -6.241 -9.280 -5.816 1.00 24.44 H new ATOM 0 HB2 ARG A 12 -6.076 -10.585 -8.220 1.00 4.15 H new ATOM 0 HB3 ARG A 12 -5.883 -11.948 -7.135 1.00 4.15 H new ATOM 0 HG2 ARG A 12 -8.024 -11.582 -6.103 1.00 25.41 H new ATOM 0 HG3 ARG A 12 -8.148 -9.951 -6.732 1.00 25.41 H new ATOM 0 HD2 ARG A 12 -9.576 -11.369 -8.086 1.00 41.12 H new ATOM 0 HD3 ARG A 12 -8.207 -10.892 -9.070 1.00 41.12 H new ATOM 0 HE ARG A 12 -8.623 -13.589 -7.841 1.00 64.44 H new ATOM 0 HH11 ARG A 12 -7.164 -11.579 -10.359 1.00 13.55 H new ATOM 0 HH12 ARG A 12 -6.315 -12.939 -11.102 1.00 13.55 H new ATOM 0 HH21 ARG A 12 -7.428 -15.291 -8.726 1.00 0.21 H new ATOM 0 HH22 ARG A 12 -6.465 -15.024 -10.183 1.00 0.21 H new ATOM 182 N GLU A 13 -3.881 -11.469 -5.169 1.00 51.52 N ATOM 183 CA GLU A 13 -3.180 -12.246 -4.152 1.00 73.12 C ATOM 184 C GLU A 13 -2.927 -11.399 -2.904 1.00 21.21 C ATOM 185 O GLU A 13 -3.263 -11.825 -1.794 1.00 11.32 O ATOM 186 CB GLU A 13 -1.874 -12.822 -4.730 1.00 35.01 C ATOM 187 CG GLU A 13 -2.060 -14.195 -5.384 1.00 23.31 C ATOM 188 CD GLU A 13 -1.781 -15.338 -4.403 1.00 5.31 C ATOM 189 OE1 GLU A 13 -2.241 -15.280 -3.237 1.00 72.34 O ATOM 190 OE2 GLU A 13 -1.033 -16.270 -4.770 1.00 25.22 O ATOM 0 H GLU A 13 -3.365 -11.427 -6.048 1.00 51.52 H new ATOM 0 HA GLU A 13 -3.808 -13.085 -3.850 1.00 73.12 H new ATOM 0 HB2 GLU A 13 -1.472 -12.127 -5.467 1.00 35.01 H new ATOM 0 HB3 GLU A 13 -1.135 -12.903 -3.932 1.00 35.01 H new ATOM 0 HG2 GLU A 13 -3.079 -14.282 -5.762 1.00 23.31 H new ATOM 0 HG3 GLU A 13 -1.393 -14.282 -6.242 1.00 23.31 H new ATOM 197 N MET A 14 -2.317 -10.222 -3.058 1.00 42.23 N ATOM 198 CA MET A 14 -2.012 -9.343 -1.949 1.00 23.41 C ATOM 199 C MET A 14 -3.282 -8.689 -1.414 1.00 45.42 C ATOM 200 O MET A 14 -3.456 -8.630 -0.198 1.00 31.30 O ATOM 201 CB MET A 14 -0.902 -8.334 -2.286 1.00 4.51 C ATOM 202 CG MET A 14 -1.193 -7.351 -3.419 1.00 12.51 C ATOM 203 SD MET A 14 -1.600 -5.664 -2.909 1.00 15.13 S ATOM 204 CE MET A 14 -0.038 -5.198 -2.134 1.00 22.13 C ATOM 0 H MET A 14 -2.023 -9.858 -3.964 1.00 42.23 H new ATOM 0 HA MET A 14 -1.603 -9.951 -1.142 1.00 23.41 H new ATOM 0 HB2 MET A 14 -0.678 -7.761 -1.386 1.00 4.51 H new ATOM 0 HB3 MET A 14 -0.001 -8.891 -2.541 1.00 4.51 H new ATOM 0 HG2 MET A 14 -0.323 -7.313 -4.074 1.00 12.51 H new ATOM 0 HG3 MET A 14 -2.021 -7.742 -4.011 1.00 12.51 H new ATOM 0 HE1 MET A 14 -0.188 -5.069 -1.062 1.00 22.13 H new ATOM 0 HE2 MET A 14 0.701 -5.981 -2.305 1.00 22.13 H new ATOM 0 HE3 MET A 14 0.318 -4.263 -2.566 1.00 22.13 H new ATOM 214 N LEU A 15 -4.197 -8.280 -2.291 1.00 74.22 N ATOM 215 CA LEU A 15 -5.459 -7.666 -1.919 1.00 10.53 C ATOM 216 C LEU A 15 -6.221 -8.570 -0.967 1.00 53.42 C ATOM 217 O LEU A 15 -6.532 -8.179 0.156 1.00 75.22 O ATOM 218 CB LEU A 15 -6.256 -7.275 -3.179 1.00 4.14 C ATOM 219 CG LEU A 15 -7.377 -6.300 -2.821 1.00 30.53 C ATOM 220 CD1 LEU A 15 -7.641 -5.254 -3.919 1.00 33.21 C ATOM 221 CD2 LEU A 15 -8.719 -6.898 -2.617 1.00 61.11 C ATOM 0 H LEU A 15 -4.074 -8.371 -3.300 1.00 74.22 H new ATOM 0 HA LEU A 15 -5.277 -6.738 -1.377 1.00 10.53 H new ATOM 0 HB2 LEU A 15 -5.590 -6.819 -3.911 1.00 4.14 H new ATOM 0 HB3 LEU A 15 -6.676 -8.168 -3.642 1.00 4.14 H new ATOM 0 HG LEU A 15 -6.984 -5.886 -1.893 1.00 30.53 H new ATOM 0 HD11 LEU A 15 -8.448 -4.592 -3.604 1.00 33.21 H new ATOM 0 HD12 LEU A 15 -6.737 -4.669 -4.089 1.00 33.21 H new ATOM 0 HD13 LEU A 15 -7.926 -5.759 -4.842 1.00 33.21 H new ATOM 0 HD21 LEU A 15 -9.433 -6.113 -2.368 1.00 61.11 H new ATOM 0 HD22 LEU A 15 -9.036 -7.401 -3.531 1.00 61.11 H new ATOM 0 HD23 LEU A 15 -8.675 -7.620 -1.802 1.00 61.11 H new ATOM 233 N ALA A 16 -6.491 -9.790 -1.411 1.00 71.41 N ATOM 234 CA ALA A 16 -7.347 -10.695 -0.683 1.00 71.33 C ATOM 235 C ALA A 16 -6.703 -11.227 0.604 1.00 61.13 C ATOM 236 O ALA A 16 -7.426 -11.742 1.448 1.00 4.41 O ATOM 237 CB ALA A 16 -7.633 -11.867 -1.607 1.00 10.41 C ATOM 0 H ALA A 16 -6.122 -10.172 -2.282 1.00 71.41 H new ATOM 0 HA ALA A 16 -8.248 -10.159 -0.384 1.00 71.33 H new ATOM 0 HB1 ALA A 16 -8.280 -12.582 -1.098 1.00 10.41 H new ATOM 0 HB2 ALA A 16 -8.128 -11.507 -2.509 1.00 10.41 H new ATOM 0 HB3 ALA A 16 -6.696 -12.354 -1.878 1.00 10.41 H new ATOM 243 N HIS A 17 -5.384 -11.119 0.774 1.00 10.13 N ATOM 244 CA HIS A 17 -4.689 -11.508 2.001 1.00 22.23 C ATOM 245 C HIS A 17 -4.877 -10.471 3.095 1.00 45.43 C ATOM 246 O HIS A 17 -4.801 -10.794 4.276 1.00 44.25 O ATOM 247 CB HIS A 17 -3.202 -11.591 1.699 1.00 3.44 C ATOM 248 CG HIS A 17 -2.282 -12.032 2.826 1.00 23.12 C ATOM 249 ND1 HIS A 17 -2.246 -13.286 3.397 1.00 20.52 N ATOM 250 CD2 HIS A 17 -1.328 -11.268 3.460 1.00 32.03 C ATOM 251 CE1 HIS A 17 -1.304 -13.288 4.352 1.00 4.41 C ATOM 252 NE2 HIS A 17 -0.706 -12.084 4.422 1.00 20.04 N ATOM 0 H HIS A 17 -4.761 -10.754 0.054 1.00 10.13 H new ATOM 0 HA HIS A 17 -5.094 -12.462 2.340 1.00 22.23 H new ATOM 0 HB2 HIS A 17 -3.066 -12.279 0.865 1.00 3.44 H new ATOM 0 HB3 HIS A 17 -2.872 -10.609 1.360 1.00 3.44 H new ATOM 0 HD2 HIS A 17 -1.099 -10.232 3.256 1.00 32.03 H new ATOM 0 HE1 HIS A 17 -1.060 -14.135 4.976 1.00 4.41 H new ATOM 0 HE2 HIS A 17 0.051 -11.816 5.051 1.00 20.04 H new ATOM 260 N ALA A 18 -5.072 -9.214 2.709 1.00 61.32 N ATOM 261 CA ALA A 18 -5.133 -8.103 3.646 1.00 61.33 C ATOM 262 C ALA A 18 -6.415 -8.286 4.436 1.00 34.41 C ATOM 263 O ALA A 18 -6.430 -8.386 5.663 1.00 72.33 O ATOM 264 CB ALA A 18 -5.111 -6.790 2.858 1.00 31.34 C ATOM 0 H ALA A 18 -5.192 -8.939 1.734 1.00 61.32 H new ATOM 0 HA ALA A 18 -4.286 -8.074 4.331 1.00 61.33 H new ATOM 0 HB1 ALA A 18 -5.156 -5.949 3.550 1.00 31.34 H new ATOM 0 HB2 ALA A 18 -4.192 -6.731 2.275 1.00 31.34 H new ATOM 0 HB3 ALA A 18 -5.969 -6.754 2.187 1.00 31.34 H new ATOM 270 N GLU A 19 -7.478 -8.459 3.660 1.00 24.22 N ATOM 271 CA GLU A 19 -8.753 -9.014 4.018 1.00 30.04 C ATOM 272 C GLU A 19 -8.740 -10.363 4.751 1.00 53.43 C ATOM 273 O GLU A 19 -9.438 -10.479 5.758 1.00 23.44 O ATOM 274 CB GLU A 19 -9.751 -8.812 2.878 1.00 4.34 C ATOM 275 CG GLU A 19 -9.230 -8.793 1.483 1.00 22.10 C ATOM 276 CD GLU A 19 -10.360 -8.827 0.442 1.00 60.42 C ATOM 277 OE1 GLU A 19 -11.196 -9.767 0.433 1.00 50.54 O ATOM 278 OE2 GLU A 19 -10.488 -7.886 -0.365 1.00 15.41 O ATOM 0 H GLU A 19 -7.454 -8.186 2.678 1.00 24.22 H new ATOM 0 HA GLU A 19 -9.146 -8.434 4.853 1.00 30.04 H new ATOM 0 HB2 GLU A 19 -10.497 -9.604 2.944 1.00 4.34 H new ATOM 0 HB3 GLU A 19 -10.270 -7.870 3.053 1.00 4.34 H new ATOM 0 HG2 GLU A 19 -8.628 -7.897 1.334 1.00 22.10 H new ATOM 0 HG3 GLU A 19 -8.572 -9.649 1.331 1.00 22.10 H new ATOM 285 N GLU A 20 -7.914 -11.329 4.352 1.00 4.01 N ATOM 286 CA GLU A 20 -7.808 -12.612 5.061 1.00 42.20 C ATOM 287 C GLU A 20 -7.191 -12.446 6.465 1.00 72.41 C ATOM 288 O GLU A 20 -7.420 -13.287 7.342 1.00 73.34 O ATOM 289 CB GLU A 20 -6.957 -13.595 4.233 1.00 21.41 C ATOM 290 CG GLU A 20 -7.279 -15.075 4.499 1.00 64.22 C ATOM 291 CD GLU A 20 -8.577 -15.584 3.851 1.00 12.34 C ATOM 292 OE1 GLU A 20 -9.118 -14.939 2.924 1.00 53.54 O ATOM 293 OE2 GLU A 20 -9.042 -16.675 4.258 1.00 42.43 O ATOM 0 H GLU A 20 -7.304 -11.251 3.538 1.00 4.01 H new ATOM 0 HA GLU A 20 -8.817 -13.005 5.186 1.00 42.20 H new ATOM 0 HB2 GLU A 20 -7.106 -13.386 3.174 1.00 21.41 H new ATOM 0 HB3 GLU A 20 -5.903 -13.418 4.448 1.00 21.41 H new ATOM 0 HG2 GLU A 20 -6.449 -15.682 4.139 1.00 64.22 H new ATOM 0 HG3 GLU A 20 -7.344 -15.229 5.576 1.00 64.22 H new ATOM 300 N THR A 21 -6.392 -11.392 6.702 1.00 60.02 N ATOM 301 CA THR A 21 -5.520 -11.277 7.879 1.00 51.20 C ATOM 302 C THR A 21 -5.769 -10.023 8.738 1.00 23.23 C ATOM 303 O THR A 21 -5.104 -9.868 9.770 1.00 0.44 O ATOM 304 CB THR A 21 -4.037 -11.402 7.472 1.00 32.22 C ATOM 305 OG1 THR A 21 -3.641 -10.387 6.576 1.00 74.23 O ATOM 306 CG2 THR A 21 -3.708 -12.758 6.850 1.00 0.24 C ATOM 0 H THR A 21 -6.334 -10.590 6.075 1.00 60.02 H new ATOM 0 HA THR A 21 -5.783 -12.113 8.527 1.00 51.20 H new ATOM 0 HB THR A 21 -3.481 -11.298 8.403 1.00 32.22 H new ATOM 0 HG1 THR A 21 -4.267 -10.353 5.823 1.00 74.23 H new ATOM 0 HG21 THR A 21 -2.652 -12.789 6.583 1.00 0.24 H new ATOM 0 HG22 THR A 21 -3.925 -13.550 7.567 1.00 0.24 H new ATOM 0 HG23 THR A 21 -4.313 -12.904 5.955 1.00 0.24 H new ATOM 314 N ARG A 22 -6.726 -9.158 8.372 1.00 75.54 N ATOM 315 CA ARG A 22 -6.992 -7.868 9.015 1.00 2.43 C ATOM 316 C ARG A 22 -5.732 -7.000 9.011 1.00 61.02 C ATOM 317 O ARG A 22 -5.321 -6.475 10.040 1.00 43.31 O ATOM 318 CB ARG A 22 -7.605 -8.039 10.423 1.00 54.32 C ATOM 319 CG ARG A 22 -9.027 -8.609 10.463 1.00 34.45 C ATOM 320 CD ARG A 22 -9.169 -10.043 9.934 1.00 33.53 C ATOM 321 NE ARG A 22 -10.197 -10.877 10.600 1.00 42.23 N ATOM 322 CZ ARG A 22 -11.412 -10.573 11.083 1.00 54.14 C ATOM 323 NH1 ARG A 22 -11.900 -9.339 11.047 1.00 54.00 N ATOM 324 NH2 ARG A 22 -12.167 -11.530 11.612 1.00 5.34 N ATOM 0 H ARG A 22 -7.357 -9.346 7.593 1.00 75.54 H new ATOM 0 HA ARG A 22 -7.747 -7.342 8.431 1.00 2.43 H new ATOM 0 HB2 ARG A 22 -6.955 -8.692 11.006 1.00 54.32 H new ATOM 0 HB3 ARG A 22 -7.608 -7.068 10.918 1.00 54.32 H new ATOM 0 HG2 ARG A 22 -9.384 -8.581 11.492 1.00 34.45 H new ATOM 0 HG3 ARG A 22 -9.679 -7.958 9.882 1.00 34.45 H new ATOM 0 HD2 ARG A 22 -9.400 -9.996 8.870 1.00 33.53 H new ATOM 0 HD3 ARG A 22 -8.205 -10.543 10.030 1.00 33.53 H new ATOM 0 HE ARG A 22 -9.935 -11.856 10.711 1.00 42.23 H new ATOM 0 HH11 ARG A 22 -11.347 -8.583 10.642 1.00 54.00 H new ATOM 0 HH12 ARG A 22 -12.828 -9.146 11.424 1.00 54.00 H new ATOM 0 HH21 ARG A 22 -11.822 -12.489 11.649 1.00 5.34 H new ATOM 0 HH22 ARG A 22 -13.091 -11.305 11.981 1.00 5.34 H new ATOM 338 N LYS A 23 -5.096 -6.861 7.851 1.00 63.11 N ATOM 339 CA LYS A 23 -4.014 -5.908 7.626 1.00 54.24 C ATOM 340 C LYS A 23 -4.592 -4.722 6.862 1.00 22.12 C ATOM 341 O LYS A 23 -5.478 -4.916 6.035 1.00 73.12 O ATOM 342 CB LYS A 23 -2.901 -6.574 6.813 1.00 13.24 C ATOM 343 CG LYS A 23 -1.822 -7.260 7.659 1.00 51.21 C ATOM 344 CD LYS A 23 -2.369 -8.174 8.763 1.00 15.23 C ATOM 345 CE LYS A 23 -1.472 -9.375 9.019 1.00 50.14 C ATOM 346 NZ LYS A 23 -0.102 -9.034 9.454 1.00 74.21 N ATOM 0 H LYS A 23 -5.322 -7.417 7.027 1.00 63.11 H new ATOM 0 HA LYS A 23 -3.590 -5.574 8.573 1.00 54.24 H new ATOM 0 HB2 LYS A 23 -3.347 -7.312 6.146 1.00 13.24 H new ATOM 0 HB3 LYS A 23 -2.427 -5.821 6.183 1.00 13.24 H new ATOM 0 HG2 LYS A 23 -1.181 -7.848 7.002 1.00 51.21 H new ATOM 0 HG3 LYS A 23 -1.194 -6.495 8.115 1.00 51.21 H new ATOM 0 HD2 LYS A 23 -2.477 -7.602 9.684 1.00 15.23 H new ATOM 0 HD3 LYS A 23 -3.364 -8.520 8.484 1.00 15.23 H new ATOM 0 HE2 LYS A 23 -1.935 -10.003 9.780 1.00 50.14 H new ATOM 0 HE3 LYS A 23 -1.413 -9.969 8.107 1.00 50.14 H new ATOM 0 HZ1 LYS A 23 0.441 -9.908 9.606 1.00 74.21 H new ATOM 0 HZ2 LYS A 23 0.362 -8.461 8.721 1.00 74.21 H new ATOM 0 HZ3 LYS A 23 -0.144 -8.493 10.341 1.00 74.21 H new ATOM 360 N LEU A 24 -4.083 -3.513 7.103 1.00 32.41 N ATOM 361 CA LEU A 24 -4.505 -2.319 6.365 1.00 32.54 C ATOM 362 C LEU A 24 -3.918 -2.370 4.951 1.00 34.31 C ATOM 363 O LEU A 24 -2.757 -2.761 4.807 1.00 43.11 O ATOM 364 CB LEU A 24 -3.974 -1.068 7.086 1.00 20.34 C ATOM 365 CG LEU A 24 -4.686 0.228 6.641 1.00 43.04 C ATOM 366 CD1 LEU A 24 -5.734 0.622 7.673 1.00 72.42 C ATOM 367 CD2 LEU A 24 -3.760 1.441 6.562 1.00 31.13 C ATOM 0 H LEU A 24 -3.371 -3.333 7.811 1.00 32.41 H new ATOM 0 HA LEU A 24 -5.593 -2.282 6.312 1.00 32.54 H new ATOM 0 HB2 LEU A 24 -4.098 -1.194 8.162 1.00 20.34 H new ATOM 0 HB3 LEU A 24 -2.905 -0.972 6.898 1.00 20.34 H new ATOM 0 HG LEU A 24 -5.094 -0.002 5.657 1.00 43.04 H new ATOM 0 HD11 LEU A 24 -6.233 1.537 7.354 1.00 72.42 H new ATOM 0 HD12 LEU A 24 -6.469 -0.177 7.769 1.00 72.42 H new ATOM 0 HD13 LEU A 24 -5.252 0.789 8.636 1.00 72.42 H new ATOM 0 HD21 LEU A 24 -4.330 2.314 6.243 1.00 31.13 H new ATOM 0 HD22 LEU A 24 -3.324 1.631 7.543 1.00 31.13 H new ATOM 0 HD23 LEU A 24 -2.964 1.245 5.843 1.00 31.13 H new ATOM 379 N MET A 25 -4.634 -1.873 3.937 1.00 54.30 N ATOM 380 CA MET A 25 -4.135 -1.795 2.562 1.00 10.50 C ATOM 381 C MET A 25 -4.245 -0.362 2.001 1.00 54.13 C ATOM 382 O MET A 25 -5.178 -0.054 1.267 1.00 73.01 O ATOM 383 CB MET A 25 -4.785 -2.899 1.720 1.00 74.40 C ATOM 384 CG MET A 25 -4.305 -2.885 0.262 1.00 1.34 C ATOM 385 SD MET A 25 -4.106 -4.530 -0.482 1.00 54.51 S ATOM 386 CE MET A 25 -4.860 -4.283 -2.106 1.00 14.21 C ATOM 0 H MET A 25 -5.581 -1.512 4.049 1.00 54.30 H new ATOM 0 HA MET A 25 -3.064 -1.994 2.529 1.00 10.50 H new ATOM 0 HB2 MET A 25 -4.561 -3.869 2.164 1.00 74.40 H new ATOM 0 HB3 MET A 25 -5.868 -2.780 1.744 1.00 74.40 H new ATOM 0 HG2 MET A 25 -5.015 -2.314 -0.335 1.00 1.34 H new ATOM 0 HG3 MET A 25 -3.351 -2.360 0.212 1.00 1.34 H new ATOM 0 HE1 MET A 25 -4.655 -5.147 -2.738 1.00 14.21 H new ATOM 0 HE2 MET A 25 -5.938 -4.164 -1.993 1.00 14.21 H new ATOM 0 HE3 MET A 25 -4.443 -3.388 -2.569 1.00 14.21 H new ATOM 396 N PRO A 26 -3.315 0.542 2.351 1.00 22.32 N ATOM 397 CA PRO A 26 -3.348 1.955 1.959 1.00 73.55 C ATOM 398 C PRO A 26 -2.934 2.199 0.482 1.00 52.23 C ATOM 399 O PRO A 26 -1.753 2.416 0.199 1.00 43.11 O ATOM 400 CB PRO A 26 -2.422 2.637 2.969 1.00 11.45 C ATOM 401 CG PRO A 26 -1.452 1.568 3.455 1.00 51.42 C ATOM 402 CD PRO A 26 -2.253 0.284 3.314 1.00 63.43 C ATOM 0 HA PRO A 26 -4.359 2.363 1.986 1.00 73.55 H new ATOM 0 HB2 PRO A 26 -1.886 3.466 2.506 1.00 11.45 H new ATOM 0 HB3 PRO A 26 -2.992 3.051 3.801 1.00 11.45 H new ATOM 0 HG2 PRO A 26 -0.544 1.544 2.853 1.00 51.42 H new ATOM 0 HG3 PRO A 26 -1.146 1.741 4.487 1.00 51.42 H new ATOM 0 HD2 PRO A 26 -1.615 -0.532 2.974 1.00 63.43 H new ATOM 0 HD3 PRO A 26 -2.670 -0.017 4.275 1.00 63.43 H new ATOM 410 N ILE A 27 -3.881 2.176 -0.464 1.00 53.11 N ATOM 411 CA ILE A 27 -3.722 2.472 -1.905 1.00 73.24 C ATOM 412 C ILE A 27 -3.883 3.987 -2.134 1.00 65.22 C ATOM 413 O ILE A 27 -4.705 4.597 -1.464 1.00 61.20 O ATOM 414 CB ILE A 27 -4.840 1.715 -2.665 1.00 24.05 C ATOM 415 CG1 ILE A 27 -4.775 0.186 -2.438 1.00 31.33 C ATOM 416 CG2 ILE A 27 -4.930 2.019 -4.172 1.00 31.45 C ATOM 417 CD1 ILE A 27 -6.163 -0.333 -2.061 1.00 41.43 C ATOM 0 H ILE A 27 -4.845 1.935 -0.234 1.00 53.11 H new ATOM 0 HA ILE A 27 -2.738 2.161 -2.258 1.00 73.24 H new ATOM 0 HB ILE A 27 -5.755 2.107 -2.222 1.00 24.05 H new ATOM 0 HG12 ILE A 27 -4.422 -0.312 -3.341 1.00 31.33 H new ATOM 0 HG13 ILE A 27 -4.061 -0.045 -1.647 1.00 31.33 H new ATOM 0 HG21 ILE A 27 -5.742 1.441 -4.612 1.00 31.45 H new ATOM 0 HG22 ILE A 27 -5.121 3.082 -4.318 1.00 31.45 H new ATOM 0 HG23 ILE A 27 -3.990 1.750 -4.654 1.00 31.45 H new ATOM 0 HD11 ILE A 27 -6.118 -1.410 -1.901 1.00 41.43 H new ATOM 0 HD12 ILE A 27 -6.498 0.156 -1.146 1.00 41.43 H new ATOM 0 HD13 ILE A 27 -6.864 -0.115 -2.867 1.00 41.43 H new ATOM 429 N CYS A 28 -3.192 4.607 -3.099 1.00 10.52 N ATOM 430 CA CYS A 28 -3.327 6.039 -3.405 1.00 61.50 C ATOM 431 C CYS A 28 -4.591 6.318 -4.241 1.00 72.30 C ATOM 432 O CYS A 28 -5.061 5.443 -4.967 1.00 40.31 O ATOM 433 CB CYS A 28 -2.059 6.478 -4.154 1.00 40.11 C ATOM 434 SG CYS A 28 -1.938 8.278 -4.333 1.00 43.31 S ATOM 0 H CYS A 28 -2.518 4.126 -3.695 1.00 10.52 H new ATOM 0 HA CYS A 28 -3.436 6.608 -2.482 1.00 61.50 H new ATOM 0 HB2 CYS A 28 -1.182 6.110 -3.621 1.00 40.11 H new ATOM 0 HB3 CYS A 28 -2.048 6.017 -5.142 1.00 40.11 H new ATOM 0 HG CYS A 28 -2.922 8.844 -3.700 1.00 43.31 H new ATOM 440 N MET A 29 -5.123 7.549 -4.210 1.00 2.42 N ATOM 441 CA MET A 29 -6.218 8.005 -5.073 1.00 35.13 C ATOM 442 C MET A 29 -5.721 8.429 -6.470 1.00 64.11 C ATOM 443 O MET A 29 -6.525 8.772 -7.339 1.00 44.20 O ATOM 444 CB MET A 29 -6.952 9.209 -4.448 1.00 53.43 C ATOM 445 CG MET A 29 -8.420 9.167 -4.869 1.00 32.40 C ATOM 446 SD MET A 29 -9.405 10.538 -4.241 1.00 33.41 S ATOM 447 CE MET A 29 -9.568 9.977 -2.537 1.00 23.42 C ATOM 0 H MET A 29 -4.795 8.271 -3.568 1.00 2.42 H new ATOM 0 HA MET A 29 -6.894 7.156 -5.173 1.00 35.13 H new ATOM 0 HB2 MET A 29 -6.870 9.177 -3.362 1.00 53.43 H new ATOM 0 HB3 MET A 29 -6.493 10.142 -4.775 1.00 53.43 H new ATOM 0 HG2 MET A 29 -8.475 9.163 -5.958 1.00 32.40 H new ATOM 0 HG3 MET A 29 -8.859 8.231 -4.525 1.00 32.40 H new ATOM 0 HE1 MET A 29 -10.125 10.717 -1.962 1.00 23.42 H new ATOM 0 HE2 MET A 29 -10.100 9.026 -2.516 1.00 23.42 H new ATOM 0 HE3 MET A 29 -8.578 9.848 -2.100 1.00 23.42 H new ATOM 457 N ASP A 30 -4.403 8.471 -6.688 1.00 13.40 N ATOM 458 CA ASP A 30 -3.792 8.849 -7.968 1.00 42.14 C ATOM 459 C ASP A 30 -3.622 7.672 -8.918 1.00 32.13 C ATOM 460 O ASP A 30 -3.244 7.858 -10.073 1.00 15.22 O ATOM 461 CB ASP A 30 -2.437 9.504 -7.695 1.00 70.41 C ATOM 462 CG ASP A 30 -1.778 10.086 -8.951 1.00 11.41 C ATOM 463 OD1 ASP A 30 -2.388 10.985 -9.574 1.00 42.32 O ATOM 464 OD2 ASP A 30 -0.613 9.735 -9.239 1.00 60.01 O ATOM 0 H ASP A 30 -3.718 8.240 -5.968 1.00 13.40 H new ATOM 0 HA ASP A 30 -4.466 9.548 -8.463 1.00 42.14 H new ATOM 0 HB2 ASP A 30 -2.567 10.299 -6.961 1.00 70.41 H new ATOM 0 HB3 ASP A 30 -1.768 8.767 -7.251 1.00 70.41 H new ATOM 469 N VAL A 31 -3.939 6.463 -8.469 1.00 75.31 N ATOM 470 CA VAL A 31 -3.554 5.242 -9.140 1.00 72.55 C ATOM 471 C VAL A 31 -4.805 4.510 -9.610 1.00 23.42 C ATOM 472 O VAL A 31 -5.365 3.687 -8.878 1.00 72.53 O ATOM 473 CB VAL A 31 -2.629 4.428 -8.209 1.00 73.24 C ATOM 474 CG1 VAL A 31 -2.201 3.113 -8.854 1.00 50.42 C ATOM 475 CG2 VAL A 31 -1.356 5.216 -7.856 1.00 70.51 C ATOM 0 H VAL A 31 -4.478 6.309 -7.617 1.00 75.31 H new ATOM 0 HA VAL A 31 -2.973 5.436 -10.042 1.00 72.55 H new ATOM 0 HB VAL A 31 -3.206 4.227 -7.307 1.00 73.24 H new ATOM 0 HG11 VAL A 31 -1.551 2.567 -8.170 1.00 50.42 H new ATOM 0 HG12 VAL A 31 -3.083 2.512 -9.074 1.00 50.42 H new ATOM 0 HG13 VAL A 31 -1.663 3.320 -9.779 1.00 50.42 H new ATOM 0 HG21 VAL A 31 -0.726 4.615 -7.200 1.00 70.51 H new ATOM 0 HG22 VAL A 31 -0.809 5.451 -8.769 1.00 70.51 H new ATOM 0 HG23 VAL A 31 -1.630 6.141 -7.349 1.00 70.51 H new ATOM 485 N ARG A 32 -5.253 4.804 -10.833 1.00 21.25 N ATOM 486 CA ARG A 32 -6.337 4.077 -11.487 1.00 21.53 C ATOM 487 C ARG A 32 -6.014 2.595 -11.584 1.00 32.40 C ATOM 488 O ARG A 32 -6.942 1.790 -11.513 1.00 10.51 O ATOM 489 CB ARG A 32 -6.571 4.617 -12.917 1.00 33.11 C ATOM 490 CG ARG A 32 -7.804 5.507 -13.099 1.00 41.24 C ATOM 491 CD ARG A 32 -7.644 6.900 -12.495 1.00 43.44 C ATOM 492 NE ARG A 32 -8.764 7.757 -12.905 1.00 63.13 N ATOM 493 CZ ARG A 32 -9.092 8.950 -12.404 1.00 30.52 C ATOM 494 NH1 ARG A 32 -8.454 9.461 -11.357 1.00 64.55 N ATOM 495 NH2 ARG A 32 -10.079 9.633 -12.969 1.00 13.21 N ATOM 0 H ARG A 32 -4.869 5.560 -11.400 1.00 21.25 H new ATOM 0 HA ARG A 32 -7.234 4.220 -10.884 1.00 21.53 H new ATOM 0 HB2 ARG A 32 -5.690 5.182 -13.220 1.00 33.11 H new ATOM 0 HB3 ARG A 32 -6.655 3.769 -13.596 1.00 33.11 H new ATOM 0 HG2 ARG A 32 -8.019 5.604 -14.163 1.00 41.24 H new ATOM 0 HG3 ARG A 32 -8.665 5.019 -12.643 1.00 41.24 H new ATOM 0 HD2 ARG A 32 -7.607 6.832 -11.408 1.00 43.44 H new ATOM 0 HD3 ARG A 32 -6.701 7.340 -12.819 1.00 43.44 H new ATOM 0 HE ARG A 32 -9.357 7.401 -13.655 1.00 63.13 H new ATOM 0 HH11 ARG A 32 -7.695 8.940 -10.918 1.00 64.55 H new ATOM 0 HH12 ARG A 32 -8.723 10.375 -10.992 1.00 64.55 H new ATOM 0 HH21 ARG A 32 -10.573 9.245 -13.772 1.00 13.21 H new ATOM 0 HH22 ARG A 32 -10.344 10.546 -12.600 1.00 13.21 H new ATOM 509 N ALA A 33 -4.736 2.240 -11.750 1.00 1.01 N ATOM 510 CA ALA A 33 -4.309 0.874 -12.006 1.00 13.21 C ATOM 511 C ALA A 33 -4.872 -0.092 -10.970 1.00 53.32 C ATOM 512 O ALA A 33 -5.527 -1.084 -11.296 1.00 14.05 O ATOM 513 CB ALA A 33 -2.777 0.799 -12.023 1.00 11.13 C ATOM 0 H ALA A 33 -3.965 2.906 -11.709 1.00 1.01 H new ATOM 0 HA ALA A 33 -4.696 0.578 -12.981 1.00 13.21 H new ATOM 0 HB1 ALA A 33 -2.465 -0.228 -12.215 1.00 11.13 H new ATOM 0 HB2 ALA A 33 -2.390 1.449 -12.808 1.00 11.13 H new ATOM 0 HB3 ALA A 33 -2.386 1.122 -11.058 1.00 11.13 H new ATOM 519 N ILE A 34 -4.581 0.207 -9.713 1.00 45.51 N ATOM 520 CA ILE A 34 -4.901 -0.589 -8.550 1.00 73.42 C ATOM 521 C ILE A 34 -6.350 -0.318 -8.168 1.00 21.12 C ATOM 522 O ILE A 34 -7.110 -1.265 -7.947 1.00 23.10 O ATOM 523 CB ILE A 34 -3.875 -0.231 -7.456 1.00 52.42 C ATOM 524 CG1 ILE A 34 -2.429 -0.542 -7.920 1.00 43.04 C ATOM 525 CG2 ILE A 34 -4.194 -0.914 -6.128 1.00 62.15 C ATOM 526 CD1 ILE A 34 -2.159 -1.975 -8.403 1.00 3.40 C ATOM 0 H ILE A 34 -4.085 1.064 -9.469 1.00 45.51 H new ATOM 0 HA ILE A 34 -4.829 -1.663 -8.724 1.00 73.42 H new ATOM 0 HB ILE A 34 -3.946 0.843 -7.286 1.00 52.42 H new ATOM 0 HG12 ILE A 34 -2.175 0.144 -8.728 1.00 43.04 H new ATOM 0 HG13 ILE A 34 -1.752 -0.327 -7.094 1.00 43.04 H new ATOM 0 HG21 ILE A 34 -3.446 -0.634 -5.386 1.00 62.15 H new ATOM 0 HG22 ILE A 34 -5.180 -0.601 -5.785 1.00 62.15 H new ATOM 0 HG23 ILE A 34 -4.184 -1.996 -6.263 1.00 62.15 H new ATOM 0 HD11 ILE A 34 -1.114 -2.068 -8.700 1.00 3.40 H new ATOM 0 HD12 ILE A 34 -2.371 -2.677 -7.596 1.00 3.40 H new ATOM 0 HD13 ILE A 34 -2.800 -2.198 -9.256 1.00 3.40 H new ATOM 538 N MET A 35 -6.757 0.958 -8.171 1.00 24.01 N ATOM 539 CA MET A 35 -8.124 1.375 -7.885 1.00 10.31 C ATOM 540 C MET A 35 -9.154 0.634 -8.745 1.00 3.02 C ATOM 541 O MET A 35 -10.242 0.341 -8.241 1.00 51.22 O ATOM 542 CB MET A 35 -8.215 2.898 -8.027 1.00 54.31 C ATOM 543 CG MET A 35 -9.633 3.430 -7.836 1.00 45.01 C ATOM 544 SD MET A 35 -9.818 5.081 -7.115 1.00 33.31 S ATOM 545 CE MET A 35 -9.088 4.868 -5.470 1.00 4.14 C ATOM 0 H MET A 35 -6.131 1.737 -8.376 1.00 24.01 H new ATOM 0 HA MET A 35 -8.373 1.104 -6.859 1.00 10.31 H new ATOM 0 HB2 MET A 35 -7.556 3.366 -7.296 1.00 54.31 H new ATOM 0 HB3 MET A 35 -7.854 3.188 -9.014 1.00 54.31 H new ATOM 0 HG2 MET A 35 -10.126 3.431 -8.808 1.00 45.01 H new ATOM 0 HG3 MET A 35 -10.174 2.725 -7.205 1.00 45.01 H new ATOM 0 HE1 MET A 35 -9.642 5.466 -4.746 1.00 4.14 H new ATOM 0 HE2 MET A 35 -9.135 3.817 -5.185 1.00 4.14 H new ATOM 0 HE3 MET A 35 -8.048 5.193 -5.489 1.00 4.14 H new ATOM 555 N ALA A 36 -8.808 0.242 -9.979 1.00 10.33 N ATOM 556 CA ALA A 36 -9.697 -0.539 -10.821 1.00 15.43 C ATOM 557 C ALA A 36 -10.119 -1.821 -10.111 1.00 41.13 C ATOM 558 O ALA A 36 -11.305 -2.136 -10.135 1.00 3.40 O ATOM 559 CB ALA A 36 -9.060 -0.867 -12.175 1.00 70.11 C ATOM 0 H ALA A 36 -7.910 0.460 -10.410 1.00 10.33 H new ATOM 0 HA ALA A 36 -10.581 0.069 -11.011 1.00 15.43 H new ATOM 0 HB1 ALA A 36 -9.758 -1.452 -12.773 1.00 70.11 H new ATOM 0 HB2 ALA A 36 -8.821 0.059 -12.698 1.00 70.11 H new ATOM 0 HB3 ALA A 36 -8.147 -1.441 -12.018 1.00 70.11 H new ATOM 565 N THR A 37 -9.198 -2.556 -9.471 1.00 42.45 N ATOM 566 CA THR A 37 -9.605 -3.782 -8.783 1.00 52.04 C ATOM 567 C THR A 37 -10.484 -3.469 -7.583 1.00 15.33 C ATOM 568 O THR A 37 -11.438 -4.209 -7.360 1.00 33.52 O ATOM 569 CB THR A 37 -8.418 -4.682 -8.407 1.00 64.43 C ATOM 570 OG1 THR A 37 -7.747 -5.059 -9.608 1.00 33.53 O ATOM 571 CG2 THR A 37 -8.862 -5.967 -7.671 1.00 11.32 C ATOM 0 H THR A 37 -8.204 -2.333 -9.417 1.00 42.45 H new ATOM 0 HA THR A 37 -10.199 -4.358 -9.493 1.00 52.04 H new ATOM 0 HB THR A 37 -7.769 -4.121 -7.735 1.00 64.43 H new ATOM 0 HG1 THR A 37 -7.474 -5.998 -9.549 1.00 33.53 H new ATOM 0 HG21 THR A 37 -7.986 -6.568 -7.428 1.00 11.32 H new ATOM 0 HG22 THR A 37 -9.384 -5.698 -6.753 1.00 11.32 H new ATOM 0 HG23 THR A 37 -9.529 -6.542 -8.313 1.00 11.32 H new ATOM 579 N ILE A 38 -10.229 -2.384 -6.847 1.00 51.52 N ATOM 580 CA ILE A 38 -11.060 -2.051 -5.706 1.00 21.52 C ATOM 581 C ILE A 38 -12.474 -1.813 -6.220 1.00 35.51 C ATOM 582 O ILE A 38 -13.373 -2.536 -5.810 1.00 12.12 O ATOM 583 CB ILE A 38 -10.476 -0.894 -4.871 1.00 45.12 C ATOM 584 CG1 ILE A 38 -9.241 -1.350 -4.057 1.00 14.12 C ATOM 585 CG2 ILE A 38 -11.537 -0.398 -3.871 1.00 55.24 C ATOM 586 CD1 ILE A 38 -7.957 -1.577 -4.865 1.00 22.24 C ATOM 0 H ILE A 38 -9.463 -1.734 -7.024 1.00 51.52 H new ATOM 0 HA ILE A 38 -11.089 -2.877 -4.995 1.00 21.52 H new ATOM 0 HB ILE A 38 -10.181 -0.105 -5.563 1.00 45.12 H new ATOM 0 HG12 ILE A 38 -9.038 -0.602 -3.290 1.00 14.12 H new ATOM 0 HG13 ILE A 38 -9.492 -2.276 -3.540 1.00 14.12 H new ATOM 0 HG21 ILE A 38 -11.125 0.420 -3.280 1.00 55.24 H new ATOM 0 HG22 ILE A 38 -12.414 -0.047 -4.415 1.00 55.24 H new ATOM 0 HG23 ILE A 38 -11.824 -1.215 -3.209 1.00 55.24 H new ATOM 0 HD11 ILE A 38 -7.157 -1.894 -4.196 1.00 22.24 H new ATOM 0 HD12 ILE A 38 -8.130 -2.350 -5.614 1.00 22.24 H new ATOM 0 HD13 ILE A 38 -7.670 -0.649 -5.360 1.00 22.24 H new ATOM 598 N GLN A 39 -12.677 -0.889 -7.160 1.00 15.15 N ATOM 599 CA GLN A 39 -14.007 -0.582 -7.678 1.00 41.22 C ATOM 600 C GLN A 39 -14.660 -1.775 -8.409 1.00 42.35 C ATOM 601 O GLN A 39 -15.892 -1.855 -8.496 1.00 42.42 O ATOM 602 CB GLN A 39 -13.933 0.652 -8.592 1.00 20.33 C ATOM 603 CG GLN A 39 -13.474 1.911 -7.833 1.00 11.44 C ATOM 604 CD GLN A 39 -13.813 3.187 -8.599 1.00 42.43 C ATOM 605 OE1 GLN A 39 -12.849 4.047 -8.874 1.00 74.24 O flip ATOM 606 NE2 GLN A 39 -14.972 3.415 -8.931 1.00 14.15 N flip ATOM 0 H GLN A 39 -11.929 -0.337 -7.580 1.00 15.15 H new ATOM 0 HA GLN A 39 -14.649 -0.366 -6.824 1.00 41.22 H new ATOM 0 HB2 GLN A 39 -13.244 0.453 -9.413 1.00 20.33 H new ATOM 0 HB3 GLN A 39 -14.912 0.833 -9.035 1.00 20.33 H new ATOM 0 HG2 GLN A 39 -13.949 1.938 -6.852 1.00 11.44 H new ATOM 0 HG3 GLN A 39 -12.398 1.863 -7.665 1.00 11.44 H new ATOM 0 HE21 GLN A 39 -15.707 2.742 -8.712 1.00 14.15 H new ATOM 0 HE22 GLN A 39 -15.201 4.277 -9.426 1.00 14.15 H new ATOM 615 N ARG A 40 -13.873 -2.710 -8.954 1.00 72.31 N ATOM 616 CA ARG A 40 -14.381 -3.927 -9.599 1.00 62.01 C ATOM 617 C ARG A 40 -14.841 -4.950 -8.572 1.00 43.40 C ATOM 618 O ARG A 40 -15.865 -5.590 -8.797 1.00 54.31 O ATOM 619 CB ARG A 40 -13.303 -4.544 -10.508 1.00 10.30 C ATOM 620 CG ARG A 40 -13.206 -3.800 -11.851 1.00 73.12 C ATOM 621 CD ARG A 40 -14.242 -4.352 -12.835 1.00 23.02 C ATOM 622 NE ARG A 40 -14.612 -3.365 -13.867 1.00 24.54 N ATOM 623 CZ ARG A 40 -15.836 -3.108 -14.351 1.00 15.21 C ATOM 624 NH1 ARG A 40 -16.904 -3.794 -13.969 1.00 34.42 N ATOM 625 NH2 ARG A 40 -16.008 -2.136 -15.235 1.00 52.23 N ATOM 0 H ARG A 40 -12.855 -2.643 -8.960 1.00 72.31 H new ATOM 0 HA ARG A 40 -15.242 -3.644 -10.205 1.00 62.01 H new ATOM 0 HB2 ARG A 40 -12.338 -4.513 -10.003 1.00 10.30 H new ATOM 0 HB3 ARG A 40 -13.534 -5.594 -10.688 1.00 10.30 H new ATOM 0 HG2 ARG A 40 -13.371 -2.734 -11.697 1.00 73.12 H new ATOM 0 HG3 ARG A 40 -12.204 -3.911 -12.266 1.00 73.12 H new ATOM 0 HD2 ARG A 40 -13.844 -5.246 -13.316 1.00 23.02 H new ATOM 0 HD3 ARG A 40 -15.135 -4.655 -12.288 1.00 23.02 H new ATOM 0 HE ARG A 40 -13.848 -2.814 -14.258 1.00 24.54 H new ATOM 0 HH11 ARG A 40 -16.810 -4.545 -13.285 1.00 34.42 H new ATOM 0 HH12 ARG A 40 -17.820 -3.571 -14.359 1.00 34.42 H new ATOM 0 HH21 ARG A 40 -15.210 -1.583 -15.547 1.00 52.23 H new ATOM 0 HH22 ARG A 40 -16.939 -1.940 -15.603 1.00 52.23 H new ATOM 639 N LYS A 41 -14.122 -5.109 -7.464 1.00 12.54 N ATOM 640 CA LYS A 41 -14.428 -6.091 -6.434 1.00 10.30 C ATOM 641 C LYS A 41 -15.496 -5.546 -5.494 1.00 34.24 C ATOM 642 O LYS A 41 -16.525 -6.195 -5.290 1.00 63.22 O ATOM 643 CB LYS A 41 -13.111 -6.454 -5.724 1.00 31.35 C ATOM 644 CG LYS A 41 -13.176 -7.751 -4.905 1.00 42.20 C ATOM 645 CD LYS A 41 -13.571 -7.548 -3.434 1.00 65.31 C ATOM 646 CE LYS A 41 -12.783 -8.599 -2.624 1.00 54.02 C ATOM 647 NZ LYS A 41 -13.154 -8.720 -1.204 1.00 13.21 N ATOM 0 H LYS A 41 -13.296 -4.548 -7.255 1.00 12.54 H new ATOM 0 HA LYS A 41 -14.846 -7.004 -6.859 1.00 10.30 H new ATOM 0 HB2 LYS A 41 -12.322 -6.548 -6.471 1.00 31.35 H new ATOM 0 HB3 LYS A 41 -12.829 -5.634 -5.064 1.00 31.35 H new ATOM 0 HG2 LYS A 41 -13.892 -8.427 -5.372 1.00 42.20 H new ATOM 0 HG3 LYS A 41 -12.203 -8.241 -4.944 1.00 42.20 H new ATOM 0 HD2 LYS A 41 -13.327 -6.539 -3.102 1.00 65.31 H new ATOM 0 HD3 LYS A 41 -14.645 -7.678 -3.298 1.00 65.31 H new ATOM 0 HE2 LYS A 41 -12.915 -9.571 -3.099 1.00 54.02 H new ATOM 0 HE3 LYS A 41 -11.722 -8.356 -2.684 1.00 54.02 H new ATOM 0 HZ1 LYS A 41 -12.533 -9.414 -0.741 1.00 13.21 H new ATOM 0 HZ2 LYS A 41 -13.049 -7.796 -0.738 1.00 13.21 H new ATOM 0 HZ3 LYS A 41 -14.142 -9.035 -1.129 1.00 13.21 H new ATOM 661 N TYR A 42 -15.252 -4.366 -4.928 1.00 65.31 N ATOM 662 CA TYR A 42 -16.120 -3.668 -4.008 1.00 1.52 C ATOM 663 C TYR A 42 -16.900 -2.587 -4.772 1.00 23.20 C ATOM 664 O TYR A 42 -16.307 -1.783 -5.495 1.00 22.51 O ATOM 665 CB TYR A 42 -15.268 -2.939 -2.961 1.00 43.54 C ATOM 666 CG TYR A 42 -14.455 -3.840 -2.068 1.00 74.33 C ATOM 667 CD1 TYR A 42 -15.079 -4.443 -0.968 1.00 33.33 C ATOM 668 CD2 TYR A 42 -13.102 -4.096 -2.353 1.00 61.31 C ATOM 669 CE1 TYR A 42 -14.345 -5.291 -0.136 1.00 1.23 C ATOM 670 CE2 TYR A 42 -12.348 -4.944 -1.525 1.00 32.25 C ATOM 671 CZ TYR A 42 -12.979 -5.522 -0.394 1.00 51.13 C ATOM 672 OH TYR A 42 -12.340 -6.359 0.453 1.00 1.21 O ATOM 0 H TYR A 42 -14.392 -3.850 -5.116 1.00 65.31 H new ATOM 0 HA TYR A 42 -16.791 -4.388 -3.540 1.00 1.52 H new ATOM 0 HB2 TYR A 42 -14.593 -2.255 -3.475 1.00 43.54 H new ATOM 0 HB3 TYR A 42 -15.924 -2.331 -2.339 1.00 43.54 H new ATOM 0 HD1 TYR A 42 -16.122 -4.253 -0.765 1.00 33.33 H new ATOM 0 HD2 TYR A 42 -12.639 -3.637 -3.214 1.00 61.31 H new ATOM 0 HE1 TYR A 42 -14.824 -5.770 0.705 1.00 1.23 H new ATOM 0 HE2 TYR A 42 -11.311 -5.151 -1.745 1.00 32.25 H new ATOM 0 HH TYR A 42 -11.430 -6.523 0.127 1.00 1.21 H new ATOM 682 N LYS A 43 -18.217 -2.504 -4.570 1.00 12.30 N ATOM 683 CA LYS A 43 -19.067 -1.485 -5.197 1.00 15.13 C ATOM 684 C LYS A 43 -19.662 -0.466 -4.229 1.00 43.23 C ATOM 685 O LYS A 43 -19.770 0.704 -4.584 1.00 61.53 O ATOM 686 CB LYS A 43 -20.121 -2.159 -6.080 1.00 21.24 C ATOM 687 CG LYS A 43 -21.049 -3.191 -5.408 1.00 45.34 C ATOM 688 CD LYS A 43 -20.858 -4.596 -6.008 1.00 45.53 C ATOM 689 CE LYS A 43 -19.553 -5.264 -5.552 1.00 73.32 C ATOM 690 NZ LYS A 43 -19.185 -6.438 -6.370 1.00 12.01 N ATOM 0 H LYS A 43 -18.728 -3.145 -3.963 1.00 12.30 H new ATOM 0 HA LYS A 43 -18.418 -0.878 -5.828 1.00 15.13 H new ATOM 0 HB2 LYS A 43 -20.744 -1.379 -6.517 1.00 21.24 H new ATOM 0 HB3 LYS A 43 -19.606 -2.654 -6.903 1.00 21.24 H new ATOM 0 HG2 LYS A 43 -20.847 -3.221 -4.337 1.00 45.34 H new ATOM 0 HG3 LYS A 43 -22.087 -2.881 -5.528 1.00 45.34 H new ATOM 0 HD2 LYS A 43 -21.702 -5.225 -5.724 1.00 45.53 H new ATOM 0 HD3 LYS A 43 -20.864 -4.526 -7.096 1.00 45.53 H new ATOM 0 HE2 LYS A 43 -18.745 -4.534 -5.592 1.00 73.32 H new ATOM 0 HE3 LYS A 43 -19.654 -5.571 -4.511 1.00 73.32 H new ATOM 0 HZ1 LYS A 43 -18.188 -6.680 -6.201 1.00 12.01 H new ATOM 0 HZ2 LYS A 43 -19.786 -7.246 -6.108 1.00 12.01 H new ATOM 0 HZ3 LYS A 43 -19.322 -6.216 -7.377 1.00 12.01 H new ATOM 704 N GLY A 44 -19.967 -0.840 -2.984 1.00 31.21 N ATOM 705 CA GLY A 44 -20.588 0.070 -2.019 1.00 23.35 C ATOM 706 C GLY A 44 -19.617 1.083 -1.400 1.00 42.22 C ATOM 707 O GLY A 44 -19.862 1.570 -0.294 1.00 34.33 O ATOM 0 H GLY A 44 -19.792 -1.776 -2.618 1.00 31.21 H new ATOM 0 HA2 GLY A 44 -21.395 0.611 -2.513 1.00 23.35 H new ATOM 0 HA3 GLY A 44 -21.041 -0.518 -1.221 1.00 23.35 H new ATOM 711 N ILE A 45 -18.507 1.388 -2.069 1.00 0.13 N ATOM 712 CA ILE A 45 -17.417 2.224 -1.592 1.00 42.11 C ATOM 713 C ILE A 45 -17.475 3.581 -2.288 1.00 53.55 C ATOM 714 O ILE A 45 -17.402 3.675 -3.514 1.00 75.33 O ATOM 715 CB ILE A 45 -16.066 1.490 -1.749 1.00 52.14 C ATOM 716 CG1 ILE A 45 -14.850 2.411 -1.503 1.00 25.41 C ATOM 717 CG2 ILE A 45 -15.959 0.700 -3.061 1.00 24.14 C ATOM 718 CD1 ILE A 45 -14.174 3.048 -2.723 1.00 4.22 C ATOM 0 H ILE A 45 -18.339 1.036 -3.012 1.00 0.13 H new ATOM 0 HA ILE A 45 -17.521 2.418 -0.524 1.00 42.11 H new ATOM 0 HB ILE A 45 -16.043 0.745 -0.954 1.00 52.14 H new ATOM 0 HG12 ILE A 45 -15.168 3.215 -0.839 1.00 25.41 H new ATOM 0 HG13 ILE A 45 -14.097 1.834 -0.966 1.00 25.41 H new ATOM 0 HG21 ILE A 45 -14.988 0.208 -3.111 1.00 24.14 H new ATOM 0 HG22 ILE A 45 -16.749 -0.050 -3.099 1.00 24.14 H new ATOM 0 HG23 ILE A 45 -16.065 1.381 -3.905 1.00 24.14 H new ATOM 0 HD11 ILE A 45 -13.338 3.666 -2.395 1.00 4.22 H new ATOM 0 HD12 ILE A 45 -13.807 2.265 -3.386 1.00 4.22 H new ATOM 0 HD13 ILE A 45 -14.895 3.667 -3.257 1.00 4.22 H new ATOM 730 N LYS A 46 -17.580 4.633 -1.482 1.00 65.45 N ATOM 731 CA LYS A 46 -17.445 6.024 -1.898 1.00 31.12 C ATOM 732 C LYS A 46 -15.955 6.367 -1.872 1.00 51.34 C ATOM 733 O LYS A 46 -15.271 6.023 -0.903 1.00 14.23 O ATOM 734 CB LYS A 46 -18.325 6.877 -0.959 1.00 5.15 C ATOM 735 CG LYS A 46 -18.340 8.379 -1.274 1.00 54.12 C ATOM 736 CD LYS A 46 -17.240 9.211 -0.595 1.00 62.51 C ATOM 737 CE LYS A 46 -17.619 9.772 0.783 1.00 11.21 C ATOM 738 NZ LYS A 46 -17.517 8.819 1.910 1.00 21.35 N ATOM 0 H LYS A 46 -17.768 4.536 -0.484 1.00 65.45 H new ATOM 0 HA LYS A 46 -17.792 6.221 -2.912 1.00 31.12 H new ATOM 0 HB2 LYS A 46 -19.347 6.501 -1.003 1.00 5.15 H new ATOM 0 HB3 LYS A 46 -17.978 6.739 0.065 1.00 5.15 H new ATOM 0 HG2 LYS A 46 -18.253 8.507 -2.353 1.00 54.12 H new ATOM 0 HG3 LYS A 46 -19.309 8.784 -0.982 1.00 54.12 H new ATOM 0 HD2 LYS A 46 -16.349 8.592 -0.488 1.00 62.51 H new ATOM 0 HD3 LYS A 46 -16.975 10.041 -1.250 1.00 62.51 H new ATOM 0 HE2 LYS A 46 -16.979 10.628 0.995 1.00 11.21 H new ATOM 0 HE3 LYS A 46 -18.643 10.143 0.736 1.00 11.21 H new ATOM 0 HZ1 LYS A 46 -18.428 8.774 2.410 1.00 21.35 H new ATOM 0 HZ2 LYS A 46 -17.275 7.875 1.546 1.00 21.35 H new ATOM 0 HZ3 LYS A 46 -16.777 9.137 2.568 1.00 21.35 H new ATOM 752 N ILE A 47 -15.434 7.018 -2.912 1.00 10.31 N ATOM 753 CA ILE A 47 -14.024 7.391 -2.995 1.00 24.31 C ATOM 754 C ILE A 47 -13.830 8.646 -2.137 1.00 14.11 C ATOM 755 O ILE A 47 -14.501 9.656 -2.367 1.00 74.32 O ATOM 756 CB ILE A 47 -13.593 7.635 -4.465 1.00 75.53 C ATOM 757 CG1 ILE A 47 -13.985 6.504 -5.446 1.00 11.52 C ATOM 758 CG2 ILE A 47 -12.081 7.913 -4.545 1.00 25.45 C ATOM 759 CD1 ILE A 47 -13.192 5.209 -5.277 1.00 40.10 C ATOM 0 H ILE A 47 -15.982 7.302 -3.724 1.00 10.31 H new ATOM 0 HA ILE A 47 -13.395 6.582 -2.624 1.00 24.31 H new ATOM 0 HB ILE A 47 -14.152 8.512 -4.790 1.00 75.53 H new ATOM 0 HG12 ILE A 47 -15.045 6.284 -5.320 1.00 11.52 H new ATOM 0 HG13 ILE A 47 -13.853 6.864 -6.466 1.00 11.52 H new ATOM 0 HG21 ILE A 47 -11.797 8.082 -5.584 1.00 25.45 H new ATOM 0 HG22 ILE A 47 -11.842 8.798 -3.955 1.00 25.45 H new ATOM 0 HG23 ILE A 47 -11.532 7.057 -4.153 1.00 25.45 H new ATOM 0 HD11 ILE A 47 -13.535 4.475 -6.006 1.00 40.10 H new ATOM 0 HD12 ILE A 47 -12.132 5.408 -5.434 1.00 40.10 H new ATOM 0 HD13 ILE A 47 -13.343 4.819 -4.270 1.00 40.10 H new ATOM 771 N GLN A 48 -12.935 8.582 -1.152 1.00 70.04 N ATOM 772 CA GLN A 48 -12.441 9.719 -0.387 1.00 22.25 C ATOM 773 C GLN A 48 -11.088 9.338 0.221 1.00 13.42 C ATOM 774 O GLN A 48 -10.738 8.161 0.260 1.00 32.34 O ATOM 775 CB GLN A 48 -13.425 10.095 0.727 1.00 74.20 C ATOM 776 CG GLN A 48 -13.719 8.918 1.677 1.00 60.13 C ATOM 777 CD GLN A 48 -14.035 9.360 3.094 1.00 20.05 C ATOM 778 OE1 GLN A 48 -15.082 9.032 3.636 1.00 71.30 O ATOM 779 NE2 GLN A 48 -13.122 10.071 3.738 1.00 55.53 N ATOM 0 H GLN A 48 -12.519 7.699 -0.856 1.00 70.04 H new ATOM 0 HA GLN A 48 -12.334 10.581 -1.045 1.00 22.25 H new ATOM 0 HB2 GLN A 48 -13.018 10.928 1.301 1.00 74.20 H new ATOM 0 HB3 GLN A 48 -14.358 10.440 0.282 1.00 74.20 H new ATOM 0 HG2 GLN A 48 -14.559 8.345 1.286 1.00 60.13 H new ATOM 0 HG3 GLN A 48 -12.858 8.250 1.695 1.00 60.13 H new ATOM 0 HE21 GLN A 48 -12.256 10.334 3.268 1.00 55.53 H new ATOM 0 HE22 GLN A 48 -13.285 10.355 4.704 1.00 55.53 H new ATOM 788 N GLU A 49 -10.352 10.310 0.750 1.00 72.04 N ATOM 789 CA GLU A 49 -8.974 10.160 1.211 1.00 42.00 C ATOM 790 C GLU A 49 -8.896 9.946 2.733 1.00 1.40 C ATOM 791 O GLU A 49 -7.936 10.349 3.388 1.00 12.10 O ATOM 792 CB GLU A 49 -8.103 11.316 0.676 1.00 52.44 C ATOM 793 CG GLU A 49 -8.456 12.713 1.208 1.00 62.14 C ATOM 794 CD GLU A 49 -9.457 13.486 0.344 1.00 11.24 C ATOM 795 OE1 GLU A 49 -10.486 12.922 -0.081 1.00 32.02 O ATOM 796 OE2 GLU A 49 -9.256 14.716 0.193 1.00 4.15 O ATOM 0 H GLU A 49 -10.710 11.257 0.874 1.00 72.04 H new ATOM 0 HA GLU A 49 -8.553 9.246 0.792 1.00 42.00 H new ATOM 0 HB2 GLU A 49 -7.062 11.106 0.921 1.00 52.44 H new ATOM 0 HB3 GLU A 49 -8.178 11.331 -0.411 1.00 52.44 H new ATOM 0 HG2 GLU A 49 -8.864 12.613 2.214 1.00 62.14 H new ATOM 0 HG3 GLU A 49 -7.540 13.298 1.293 1.00 62.14 H new ATOM 803 N GLY A 50 -9.912 9.312 3.314 1.00 13.13 N ATOM 804 CA GLY A 50 -9.893 8.853 4.699 1.00 60.54 C ATOM 805 C GLY A 50 -9.758 7.339 4.720 1.00 62.23 C ATOM 806 O GLY A 50 -9.629 6.710 3.664 1.00 4.14 O ATOM 0 H GLY A 50 -10.784 9.100 2.828 1.00 13.13 H new ATOM 0 HA2 GLY A 50 -9.063 9.312 5.236 1.00 60.54 H new ATOM 0 HA3 GLY A 50 -10.808 9.156 5.208 1.00 60.54 H new ATOM 810 N ILE A 51 -9.764 6.750 5.917 1.00 50.34 N ATOM 811 CA ILE A 51 -9.884 5.322 6.100 1.00 61.25 C ATOM 812 C ILE A 51 -11.312 4.990 5.716 1.00 74.31 C ATOM 813 O ILE A 51 -12.260 5.218 6.466 1.00 12.42 O ATOM 814 CB ILE A 51 -9.513 4.866 7.523 1.00 12.14 C ATOM 815 CG1 ILE A 51 -8.001 5.010 7.772 1.00 64.00 C ATOM 816 CG2 ILE A 51 -9.852 3.375 7.680 1.00 70.22 C ATOM 817 CD1 ILE A 51 -7.498 6.441 7.823 1.00 13.04 C ATOM 0 H ILE A 51 -9.684 7.268 6.792 1.00 50.34 H new ATOM 0 HA ILE A 51 -9.175 4.779 5.476 1.00 61.25 H new ATOM 0 HB ILE A 51 -10.069 5.485 8.227 1.00 12.14 H new ATOM 0 HG12 ILE A 51 -7.754 4.519 8.713 1.00 64.00 H new ATOM 0 HG13 ILE A 51 -7.465 4.479 6.985 1.00 64.00 H new ATOM 0 HG21 ILE A 51 -9.591 3.047 8.686 1.00 70.22 H new ATOM 0 HG22 ILE A 51 -10.919 3.225 7.514 1.00 70.22 H new ATOM 0 HG23 ILE A 51 -9.287 2.795 6.951 1.00 70.22 H new ATOM 0 HD11 ILE A 51 -6.423 6.443 8.002 1.00 13.04 H new ATOM 0 HD12 ILE A 51 -7.708 6.935 6.874 1.00 13.04 H new ATOM 0 HD13 ILE A 51 -8.001 6.975 8.629 1.00 13.04 H new ATOM 829 N VAL A 52 -11.427 4.488 4.504 1.00 54.12 N ATOM 830 CA VAL A 52 -12.644 3.916 3.982 1.00 33.41 C ATOM 831 C VAL A 52 -12.804 2.524 4.575 1.00 2.12 C ATOM 832 O VAL A 52 -12.184 1.560 4.116 1.00 1.23 O ATOM 833 CB VAL A 52 -12.649 3.897 2.449 1.00 74.31 C ATOM 834 CG1 VAL A 52 -13.954 3.233 1.995 1.00 70.51 C ATOM 835 CG2 VAL A 52 -12.557 5.312 1.858 1.00 55.33 C ATOM 0 H VAL A 52 -10.654 4.468 3.839 1.00 54.12 H new ATOM 0 HA VAL A 52 -13.496 4.531 4.270 1.00 33.41 H new ATOM 0 HB VAL A 52 -11.778 3.344 2.096 1.00 74.31 H new ATOM 0 HG11 VAL A 52 -13.988 3.204 0.906 1.00 70.51 H new ATOM 0 HG12 VAL A 52 -14.001 2.217 2.386 1.00 70.51 H new ATOM 0 HG13 VAL A 52 -14.803 3.805 2.369 1.00 70.51 H new ATOM 0 HG21 VAL A 52 -12.564 5.253 0.770 1.00 55.33 H new ATOM 0 HG22 VAL A 52 -13.409 5.903 2.194 1.00 55.33 H new ATOM 0 HG23 VAL A 52 -11.633 5.786 2.190 1.00 55.33 H new ATOM 845 N ASP A 53 -13.681 2.394 5.561 1.00 74.05 N ATOM 846 CA ASP A 53 -14.046 1.123 6.165 1.00 41.33 C ATOM 847 C ASP A 53 -15.084 0.357 5.332 1.00 11.12 C ATOM 848 O ASP A 53 -16.134 -0.061 5.822 1.00 70.51 O ATOM 849 CB ASP A 53 -14.513 1.351 7.605 1.00 12.35 C ATOM 850 CG ASP A 53 -15.911 1.973 7.773 1.00 4.44 C ATOM 851 OD1 ASP A 53 -16.297 2.873 6.993 1.00 25.01 O ATOM 852 OD2 ASP A 53 -16.617 1.600 8.739 1.00 32.23 O ATOM 0 H ASP A 53 -14.169 3.190 5.972 1.00 74.05 H new ATOM 0 HA ASP A 53 -13.161 0.487 6.186 1.00 41.33 H new ATOM 0 HB2 ASP A 53 -14.499 0.394 8.126 1.00 12.35 H new ATOM 0 HB3 ASP A 53 -13.789 1.996 8.103 1.00 12.35 H new ATOM 857 N TYR A 54 -14.776 0.130 4.056 1.00 30.33 N ATOM 858 CA TYR A 54 -15.548 -0.741 3.182 1.00 24.45 C ATOM 859 C TYR A 54 -14.588 -1.742 2.553 1.00 2.34 C ATOM 860 O TYR A 54 -13.994 -1.450 1.509 1.00 41.32 O ATOM 861 CB TYR A 54 -16.335 0.063 2.137 1.00 43.03 C ATOM 862 CG TYR A 54 -17.422 -0.761 1.479 1.00 13.52 C ATOM 863 CD1 TYR A 54 -17.140 -1.544 0.345 1.00 44.12 C ATOM 864 CD2 TYR A 54 -18.717 -0.765 2.028 1.00 54.10 C ATOM 865 CE1 TYR A 54 -18.162 -2.281 -0.279 1.00 43.52 C ATOM 866 CE2 TYR A 54 -19.741 -1.508 1.419 1.00 72.35 C ATOM 867 CZ TYR A 54 -19.468 -2.256 0.253 1.00 75.12 C ATOM 868 OH TYR A 54 -20.458 -2.944 -0.372 1.00 4.11 O ATOM 0 H TYR A 54 -13.970 0.554 3.597 1.00 30.33 H new ATOM 0 HA TYR A 54 -16.302 -1.281 3.755 1.00 24.45 H new ATOM 0 HB2 TYR A 54 -16.782 0.936 2.614 1.00 43.03 H new ATOM 0 HB3 TYR A 54 -15.650 0.432 1.374 1.00 43.03 H new ATOM 0 HD1 TYR A 54 -16.135 -1.579 -0.048 1.00 44.12 H new ATOM 0 HD2 TYR A 54 -18.924 -0.194 2.921 1.00 54.10 H new ATOM 0 HE1 TYR A 54 -17.948 -2.864 -1.162 1.00 43.52 H new ATOM 0 HE2 TYR A 54 -20.735 -1.507 1.841 1.00 72.35 H new ATOM 0 HH TYR A 54 -21.298 -2.827 0.119 1.00 4.11 H new ATOM 878 N GLY A 55 -14.377 -2.881 3.209 1.00 35.43 N ATOM 879 CA GLY A 55 -13.521 -3.957 2.729 1.00 50.13 C ATOM 880 C GLY A 55 -12.395 -4.271 3.696 1.00 34.53 C ATOM 881 O GLY A 55 -12.491 -5.218 4.482 1.00 21.40 O ATOM 0 H GLY A 55 -14.808 -3.084 4.111 1.00 35.43 H new ATOM 0 HA2 GLY A 55 -14.121 -4.853 2.571 1.00 50.13 H new ATOM 0 HA3 GLY A 55 -13.100 -3.680 1.762 1.00 50.13 H new ATOM 885 N VAL A 56 -11.319 -3.495 3.620 1.00 24.42 N ATOM 886 CA VAL A 56 -10.005 -3.823 4.168 1.00 15.44 C ATOM 887 C VAL A 56 -9.486 -2.674 5.052 1.00 12.21 C ATOM 888 O VAL A 56 -8.317 -2.572 5.416 1.00 50.42 O ATOM 889 CB VAL A 56 -9.056 -4.109 2.989 1.00 33.43 C ATOM 890 CG1 VAL A 56 -7.828 -4.843 3.496 1.00 40.50 C ATOM 891 CG2 VAL A 56 -9.653 -4.973 1.860 1.00 35.32 C ATOM 0 H VAL A 56 -11.337 -2.586 3.158 1.00 24.42 H new ATOM 0 HA VAL A 56 -10.065 -4.706 4.805 1.00 15.44 H new ATOM 0 HB VAL A 56 -8.834 -3.128 2.569 1.00 33.43 H new ATOM 0 HG11 VAL A 56 -7.156 -5.046 2.663 1.00 40.50 H new ATOM 0 HG12 VAL A 56 -7.315 -4.227 4.234 1.00 40.50 H new ATOM 0 HG13 VAL A 56 -8.130 -5.784 3.956 1.00 40.50 H new ATOM 0 HG21 VAL A 56 -8.907 -5.117 1.078 1.00 35.32 H new ATOM 0 HG22 VAL A 56 -9.949 -5.942 2.261 1.00 35.32 H new ATOM 0 HG23 VAL A 56 -10.525 -4.472 1.441 1.00 35.32 H new ATOM 901 N ARG A 57 -10.352 -1.731 5.380 1.00 63.24 N ATOM 902 CA ARG A 57 -9.934 -0.405 5.787 1.00 1.34 C ATOM 903 C ARG A 57 -8.846 0.173 4.871 1.00 20.30 C ATOM 904 O ARG A 57 -7.754 0.544 5.297 1.00 21.43 O ATOM 905 CB ARG A 57 -9.643 -0.343 7.298 1.00 31.54 C ATOM 906 CG ARG A 57 -10.834 -0.854 8.134 1.00 64.11 C ATOM 907 CD ARG A 57 -11.220 0.065 9.294 1.00 33.12 C ATOM 908 NE ARG A 57 -10.150 0.224 10.285 1.00 70.10 N ATOM 909 CZ ARG A 57 -9.842 -0.625 11.269 1.00 63.51 C ATOM 910 NH1 ARG A 57 -10.393 -1.837 11.326 1.00 50.30 N ATOM 911 NH2 ARG A 57 -8.994 -0.244 12.217 1.00 63.04 N ATOM 0 H ARG A 57 -11.363 -1.865 5.371 1.00 63.24 H new ATOM 0 HA ARG A 57 -10.770 0.279 5.645 1.00 1.34 H new ATOM 0 HB2 ARG A 57 -8.759 -0.940 7.522 1.00 31.54 H new ATOM 0 HB3 ARG A 57 -9.414 0.684 7.582 1.00 31.54 H new ATOM 0 HG2 ARG A 57 -11.697 -0.978 7.480 1.00 64.11 H new ATOM 0 HG3 ARG A 57 -10.590 -1.840 8.531 1.00 64.11 H new ATOM 0 HD2 ARG A 57 -11.489 1.045 8.899 1.00 33.12 H new ATOM 0 HD3 ARG A 57 -12.106 -0.335 9.787 1.00 33.12 H new ATOM 0 HE ARG A 57 -9.583 1.069 10.215 1.00 70.10 H new ATOM 0 HH11 ARG A 57 -11.060 -2.128 10.612 1.00 50.30 H new ATOM 0 HH12 ARG A 57 -10.147 -2.474 12.084 1.00 50.30 H new ATOM 0 HH21 ARG A 57 -8.584 0.690 12.190 1.00 63.04 H new ATOM 0 HH22 ARG A 57 -8.752 -0.885 12.973 1.00 63.04 H new ATOM 925 N PHE A 58 -9.179 0.231 3.579 1.00 11.20 N ATOM 926 CA PHE A 58 -8.441 0.995 2.584 1.00 52.14 C ATOM 927 C PHE A 58 -8.369 2.455 3.051 1.00 4.55 C ATOM 928 O PHE A 58 -9.229 2.924 3.795 1.00 4.32 O ATOM 929 CB PHE A 58 -9.135 0.905 1.211 1.00 60.25 C ATOM 930 CG PHE A 58 -9.260 -0.466 0.551 1.00 64.12 C ATOM 931 CD1 PHE A 58 -8.195 -1.389 0.540 1.00 63.31 C ATOM 932 CD2 PHE A 58 -10.443 -0.792 -0.136 1.00 74.30 C ATOM 933 CE1 PHE A 58 -8.305 -2.611 -0.153 1.00 73.43 C ATOM 934 CE2 PHE A 58 -10.565 -2.022 -0.805 1.00 13.33 C ATOM 935 CZ PHE A 58 -9.493 -2.925 -0.826 1.00 23.14 C ATOM 0 H PHE A 58 -9.984 -0.262 3.194 1.00 11.20 H new ATOM 0 HA PHE A 58 -7.435 0.588 2.477 1.00 52.14 H new ATOM 0 HB2 PHE A 58 -10.139 1.315 1.319 1.00 60.25 H new ATOM 0 HB3 PHE A 58 -8.597 1.557 0.523 1.00 60.25 H new ATOM 0 HD1 PHE A 58 -7.283 -1.157 1.070 1.00 63.31 H new ATOM 0 HD2 PHE A 58 -11.265 -0.091 -0.150 1.00 74.30 H new ATOM 0 HE1 PHE A 58 -7.476 -3.303 -0.165 1.00 73.43 H new ATOM 0 HE2 PHE A 58 -11.489 -2.273 -1.305 1.00 13.33 H new ATOM 0 HZ PHE A 58 -9.583 -3.860 -1.359 1.00 23.14 H new ATOM 945 N PHE A 59 -7.368 3.195 2.592 1.00 0.44 N ATOM 946 CA PHE A 59 -7.038 4.528 3.074 1.00 11.34 C ATOM 947 C PHE A 59 -6.407 5.282 1.909 1.00 72.32 C ATOM 948 O PHE A 59 -5.245 5.028 1.588 1.00 12.14 O ATOM 949 CB PHE A 59 -6.091 4.363 4.267 1.00 4.15 C ATOM 950 CG PHE A 59 -5.500 5.609 4.900 1.00 22.45 C ATOM 951 CD1 PHE A 59 -5.975 6.911 4.643 1.00 41.10 C ATOM 952 CD2 PHE A 59 -4.406 5.430 5.761 1.00 32.13 C ATOM 953 CE1 PHE A 59 -5.356 8.015 5.257 1.00 24.10 C ATOM 954 CE2 PHE A 59 -3.758 6.532 6.342 1.00 43.11 C ATOM 955 CZ PHE A 59 -4.256 7.820 6.111 1.00 1.25 C ATOM 0 H PHE A 59 -6.745 2.873 1.851 1.00 0.44 H new ATOM 0 HA PHE A 59 -7.903 5.097 3.414 1.00 11.34 H new ATOM 0 HB2 PHE A 59 -6.628 3.819 5.044 1.00 4.15 H new ATOM 0 HB3 PHE A 59 -5.264 3.729 3.948 1.00 4.15 H new ATOM 0 HD1 PHE A 59 -6.812 7.061 3.977 1.00 41.10 H new ATOM 0 HD2 PHE A 59 -4.058 4.431 5.980 1.00 32.13 H new ATOM 0 HE1 PHE A 59 -5.726 9.013 5.072 1.00 24.10 H new ATOM 0 HE2 PHE A 59 -2.885 6.388 6.961 1.00 43.11 H new ATOM 0 HZ PHE A 59 -3.793 8.669 6.592 1.00 1.25 H new ATOM 965 N PHE A 60 -7.193 6.111 1.209 1.00 21.14 N ATOM 966 CA PHE A 60 -6.731 6.730 -0.032 1.00 61.53 C ATOM 967 C PHE A 60 -6.002 8.046 0.223 1.00 20.54 C ATOM 968 O PHE A 60 -6.124 8.641 1.296 1.00 62.24 O ATOM 969 CB PHE A 60 -7.861 6.834 -1.070 1.00 40.53 C ATOM 970 CG PHE A 60 -8.494 5.497 -1.419 1.00 70.14 C ATOM 971 CD1 PHE A 60 -7.872 4.651 -2.359 1.00 55.34 C ATOM 972 CD2 PHE A 60 -9.664 5.063 -0.764 1.00 2.15 C ATOM 973 CE1 PHE A 60 -8.395 3.370 -2.612 1.00 40.33 C ATOM 974 CE2 PHE A 60 -10.186 3.784 -1.020 1.00 64.41 C ATOM 975 CZ PHE A 60 -9.546 2.933 -1.937 1.00 3.04 C ATOM 0 H PHE A 60 -8.143 6.364 1.481 1.00 21.14 H new ATOM 0 HA PHE A 60 -5.985 6.071 -0.476 1.00 61.53 H new ATOM 0 HB2 PHE A 60 -8.633 7.503 -0.689 1.00 40.53 H new ATOM 0 HB3 PHE A 60 -7.467 7.288 -1.979 1.00 40.53 H new ATOM 0 HD1 PHE A 60 -6.992 4.987 -2.886 1.00 55.34 H new ATOM 0 HD2 PHE A 60 -10.161 5.716 -0.062 1.00 2.15 H new ATOM 0 HE1 PHE A 60 -7.910 2.721 -3.327 1.00 40.33 H new ATOM 0 HE2 PHE A 60 -11.080 3.455 -0.512 1.00 64.41 H new ATOM 0 HZ PHE A 60 -9.939 1.944 -2.122 1.00 3.04 H new ATOM 985 N TYR A 61 -5.267 8.512 -0.790 1.00 45.33 N ATOM 986 CA TYR A 61 -4.397 9.678 -0.707 1.00 62.33 C ATOM 987 C TYR A 61 -4.524 10.512 -1.954 1.00 5.03 C ATOM 988 O TYR A 61 -4.404 10.010 -3.068 1.00 11.34 O ATOM 989 CB TYR A 61 -2.929 9.275 -0.576 1.00 32.12 C ATOM 990 CG TYR A 61 -2.706 8.294 0.536 1.00 2.43 C ATOM 991 CD1 TYR A 61 -2.976 8.710 1.846 1.00 25.32 C ATOM 992 CD2 TYR A 61 -2.302 6.974 0.273 1.00 3.51 C ATOM 993 CE1 TYR A 61 -2.858 7.809 2.905 1.00 15.50 C ATOM 994 CE2 TYR A 61 -2.193 6.061 1.330 1.00 74.50 C ATOM 995 CZ TYR A 61 -2.487 6.476 2.649 1.00 43.42 C ATOM 996 OH TYR A 61 -2.360 5.622 3.690 1.00 50.03 O ATOM 0 H TYR A 61 -5.263 8.075 -1.712 1.00 45.33 H new ATOM 0 HA TYR A 61 -4.705 10.240 0.174 1.00 62.33 H new ATOM 0 HB2 TYR A 61 -2.589 8.840 -1.516 1.00 32.12 H new ATOM 0 HB3 TYR A 61 -2.324 10.165 -0.400 1.00 32.12 H new ATOM 0 HD1 TYR A 61 -3.276 9.730 2.037 1.00 25.32 H new ATOM 0 HD2 TYR A 61 -2.077 6.665 -0.737 1.00 3.51 H new ATOM 0 HE1 TYR A 61 -3.051 8.133 3.917 1.00 15.50 H new ATOM 0 HE2 TYR A 61 -1.885 5.044 1.138 1.00 74.50 H new ATOM 0 HH TYR A 61 -2.798 6.002 4.480 1.00 50.03 H new ATOM 1006 N THR A 62 -4.710 11.795 -1.747 1.00 54.43 N ATOM 1007 CA THR A 62 -4.610 12.820 -2.763 1.00 52.52 C ATOM 1008 C THR A 62 -3.122 12.999 -3.077 1.00 64.22 C ATOM 1009 O THR A 62 -2.344 13.189 -2.131 1.00 54.24 O ATOM 1010 CB THR A 62 -5.295 14.066 -2.171 1.00 21.51 C ATOM 1011 OG1 THR A 62 -4.873 14.295 -0.827 1.00 20.04 O ATOM 1012 CG2 THR A 62 -6.810 13.820 -2.223 1.00 52.32 C ATOM 0 H THR A 62 -4.945 12.170 -0.828 1.00 54.43 H new ATOM 0 HA THR A 62 -5.101 12.587 -3.708 1.00 52.52 H new ATOM 0 HB THR A 62 -5.025 14.953 -2.745 1.00 21.51 H new ATOM 0 HG1 THR A 62 -3.933 14.036 -0.731 1.00 20.04 H new ATOM 0 HG21 THR A 62 -7.333 14.683 -1.811 1.00 52.32 H new ATOM 0 HG22 THR A 62 -7.119 13.668 -3.257 1.00 52.32 H new ATOM 0 HG23 THR A 62 -7.055 12.934 -1.638 1.00 52.32 H new ATOM 1020 N SER A 63 -2.712 12.936 -4.351 1.00 20.42 N ATOM 1021 CA SER A 63 -1.330 13.183 -4.769 1.00 2.13 C ATOM 1022 C SER A 63 -0.833 14.565 -4.317 1.00 23.53 C ATOM 1023 O SER A 63 0.376 14.767 -4.220 1.00 44.13 O ATOM 1024 CB SER A 63 -1.183 12.966 -6.280 1.00 74.01 C ATOM 1025 OG SER A 63 -2.099 13.753 -7.027 1.00 22.54 O ATOM 0 H SER A 63 -3.337 12.710 -5.125 1.00 20.42 H new ATOM 0 HA SER A 63 -0.686 12.459 -4.270 1.00 2.13 H new ATOM 0 HB2 SER A 63 -0.165 13.211 -6.583 1.00 74.01 H new ATOM 0 HB3 SER A 63 -1.340 11.912 -6.511 1.00 74.01 H new ATOM 0 HG SER A 63 -1.970 13.585 -7.984 1.00 22.54 H new ATOM 1031 N LYS A 64 -1.753 15.481 -3.980 1.00 4.02 N ATOM 1032 CA LYS A 64 -1.502 16.749 -3.310 1.00 3.42 C ATOM 1033 C LYS A 64 -0.549 16.602 -2.126 1.00 23.25 C ATOM 1034 O LYS A 64 0.350 17.427 -1.986 1.00 41.43 O ATOM 1035 CB LYS A 64 -2.866 17.375 -2.951 1.00 22.12 C ATOM 1036 CG LYS A 64 -2.825 18.544 -1.955 1.00 51.51 C ATOM 1037 CD LYS A 64 -3.150 18.115 -0.516 1.00 62.34 C ATOM 1038 CE LYS A 64 -4.655 17.865 -0.365 1.00 21.22 C ATOM 1039 NZ LYS A 64 -4.983 16.840 0.650 1.00 13.01 N ATOM 0 H LYS A 64 -2.743 15.342 -4.182 1.00 4.02 H new ATOM 0 HA LYS A 64 -0.976 17.432 -3.977 1.00 3.42 H new ATOM 0 HB2 LYS A 64 -3.338 17.722 -3.870 1.00 22.12 H new ATOM 0 HB3 LYS A 64 -3.506 16.594 -2.539 1.00 22.12 H new ATOM 0 HG2 LYS A 64 -1.835 19.000 -1.978 1.00 51.51 H new ATOM 0 HG3 LYS A 64 -3.535 19.308 -2.270 1.00 51.51 H new ATOM 0 HD2 LYS A 64 -2.597 17.210 -0.265 1.00 62.34 H new ATOM 0 HD3 LYS A 64 -2.831 18.888 0.183 1.00 62.34 H new ATOM 0 HE2 LYS A 64 -5.146 18.801 -0.097 1.00 21.22 H new ATOM 0 HE3 LYS A 64 -5.062 17.556 -1.327 1.00 21.22 H new ATOM 0 HZ1 LYS A 64 -5.894 17.071 1.095 1.00 13.01 H new ATOM 0 HZ2 LYS A 64 -5.047 15.908 0.194 1.00 13.01 H new ATOM 0 HZ3 LYS A 64 -4.239 16.820 1.376 1.00 13.01 H new ATOM 1053 N GLU A 65 -0.760 15.637 -1.231 1.00 51.54 N ATOM 1054 CA GLU A 65 0.050 15.572 -0.016 1.00 32.12 C ATOM 1055 C GLU A 65 1.351 14.824 -0.333 1.00 74.23 C ATOM 1056 O GLU A 65 1.307 13.858 -1.100 1.00 32.20 O ATOM 1057 CB GLU A 65 -0.778 14.912 1.105 1.00 22.34 C ATOM 1058 CG GLU A 65 -0.951 15.854 2.309 1.00 43.44 C ATOM 1059 CD GLU A 65 -2.230 15.557 3.096 1.00 53.23 C ATOM 1060 OE1 GLU A 65 -3.305 16.064 2.707 1.00 43.21 O ATOM 1061 OE2 GLU A 65 -2.179 14.827 4.121 1.00 13.14 O ATOM 0 H GLU A 65 -1.467 14.907 -1.320 1.00 51.54 H new ATOM 0 HA GLU A 65 0.327 16.565 0.338 1.00 32.12 H new ATOM 0 HB2 GLU A 65 -1.758 14.631 0.718 1.00 22.34 H new ATOM 0 HB3 GLU A 65 -0.288 13.994 1.428 1.00 22.34 H new ATOM 0 HG2 GLU A 65 -0.089 15.758 2.970 1.00 43.44 H new ATOM 0 HG3 GLU A 65 -0.972 16.887 1.960 1.00 43.44 H new ATOM 1068 N PRO A 66 2.498 15.198 0.261 1.00 41.34 N ATOM 1069 CA PRO A 66 3.754 14.501 0.024 1.00 73.42 C ATOM 1070 C PRO A 66 3.667 13.087 0.576 1.00 33.21 C ATOM 1071 O PRO A 66 3.042 12.859 1.614 1.00 41.42 O ATOM 1072 CB PRO A 66 4.833 15.300 0.762 1.00 63.21 C ATOM 1073 CG PRO A 66 4.063 16.086 1.819 1.00 11.44 C ATOM 1074 CD PRO A 66 2.703 16.321 1.162 1.00 30.42 C ATOM 0 HA PRO A 66 3.982 14.427 -1.039 1.00 73.42 H new ATOM 0 HB2 PRO A 66 5.574 14.642 1.217 1.00 63.21 H new ATOM 0 HB3 PRO A 66 5.369 15.964 0.084 1.00 63.21 H new ATOM 0 HG2 PRO A 66 3.969 15.524 2.748 1.00 11.44 H new ATOM 0 HG3 PRO A 66 4.560 17.025 2.063 1.00 11.44 H new ATOM 0 HD2 PRO A 66 1.911 16.372 1.910 1.00 30.42 H new ATOM 0 HD3 PRO A 66 2.689 17.266 0.619 1.00 30.42 H new ATOM 1082 N VAL A 67 4.392 12.163 -0.050 1.00 23.15 N ATOM 1083 CA VAL A 67 4.489 10.773 0.379 1.00 71.43 C ATOM 1084 C VAL A 67 4.855 10.731 1.866 1.00 62.31 C ATOM 1085 O VAL A 67 4.218 10.012 2.635 1.00 41.44 O ATOM 1086 CB VAL A 67 5.496 10.032 -0.526 1.00 41.33 C ATOM 1087 CG1 VAL A 67 5.689 8.562 -0.135 1.00 40.23 C ATOM 1088 CG2 VAL A 67 5.034 10.056 -1.989 1.00 53.11 C ATOM 0 H VAL A 67 4.939 12.365 -0.887 1.00 23.15 H new ATOM 0 HA VAL A 67 3.535 10.257 0.275 1.00 71.43 H new ATOM 0 HB VAL A 67 6.441 10.560 -0.398 1.00 41.33 H new ATOM 0 HG11 VAL A 67 6.409 8.098 -0.809 1.00 40.23 H new ATOM 0 HG12 VAL A 67 6.060 8.503 0.888 1.00 40.23 H new ATOM 0 HG13 VAL A 67 4.736 8.039 -0.205 1.00 40.23 H new ATOM 0 HG21 VAL A 67 5.759 9.528 -2.608 1.00 53.11 H new ATOM 0 HG22 VAL A 67 4.063 9.568 -2.072 1.00 53.11 H new ATOM 0 HG23 VAL A 67 4.952 11.089 -2.328 1.00 53.11 H new ATOM 1098 N ALA A 68 5.815 11.555 2.299 1.00 52.55 N ATOM 1099 CA ALA A 68 6.246 11.607 3.686 1.00 24.45 C ATOM 1100 C ALA A 68 5.114 11.947 4.677 1.00 65.31 C ATOM 1101 O ALA A 68 5.141 11.440 5.806 1.00 31.23 O ATOM 1102 CB ALA A 68 7.399 12.602 3.815 1.00 1.14 C ATOM 0 H ALA A 68 6.312 12.204 1.689 1.00 52.55 H new ATOM 0 HA ALA A 68 6.577 10.605 3.959 1.00 24.45 H new ATOM 0 HB1 ALA A 68 7.727 12.646 4.853 1.00 1.14 H new ATOM 0 HB2 ALA A 68 8.229 12.281 3.185 1.00 1.14 H new ATOM 0 HB3 ALA A 68 7.064 13.590 3.498 1.00 1.14 H new ATOM 1108 N SER A 69 4.118 12.755 4.281 1.00 2.14 N ATOM 1109 CA SER A 69 2.918 12.991 5.091 1.00 51.52 C ATOM 1110 C SER A 69 2.211 11.660 5.347 1.00 12.44 C ATOM 1111 O SER A 69 1.978 11.300 6.503 1.00 41.31 O ATOM 1112 CB SER A 69 1.982 14.007 4.410 1.00 53.13 C ATOM 1113 OG SER A 69 0.773 14.185 5.125 1.00 35.22 O ATOM 0 H SER A 69 4.124 13.260 3.395 1.00 2.14 H new ATOM 0 HA SER A 69 3.210 13.422 6.049 1.00 51.52 H new ATOM 0 HB2 SER A 69 2.493 14.966 4.320 1.00 53.13 H new ATOM 0 HB3 SER A 69 1.757 13.670 3.398 1.00 53.13 H new ATOM 0 HG SER A 69 0.443 15.097 4.987 1.00 35.22 H new ATOM 1119 N ILE A 70 1.911 10.906 4.283 1.00 44.41 N ATOM 1120 CA ILE A 70 1.197 9.635 4.361 1.00 63.03 C ATOM 1121 C ILE A 70 1.896 8.707 5.346 1.00 64.03 C ATOM 1122 O ILE A 70 1.228 8.147 6.212 1.00 30.13 O ATOM 1123 CB ILE A 70 1.048 8.967 2.973 1.00 71.10 C ATOM 1124 CG1 ILE A 70 0.038 9.715 2.082 1.00 31.02 C ATOM 1125 CG2 ILE A 70 0.591 7.502 3.149 1.00 42.21 C ATOM 1126 CD1 ILE A 70 0.500 11.043 1.480 1.00 64.12 C ATOM 0 H ILE A 70 2.163 11.170 3.331 1.00 44.41 H new ATOM 0 HA ILE A 70 0.188 9.837 4.721 1.00 63.03 H new ATOM 0 HB ILE A 70 2.020 9.003 2.481 1.00 71.10 H new ATOM 0 HG12 ILE A 70 -0.249 9.053 1.265 1.00 31.02 H new ATOM 0 HG13 ILE A 70 -0.860 9.903 2.671 1.00 31.02 H new ATOM 0 HG21 ILE A 70 0.487 7.033 2.170 1.00 42.21 H new ATOM 0 HG22 ILE A 70 1.332 6.958 3.735 1.00 42.21 H new ATOM 0 HG23 ILE A 70 -0.368 7.480 3.666 1.00 42.21 H new ATOM 0 HD11 ILE A 70 -0.302 11.467 0.875 1.00 64.12 H new ATOM 0 HD12 ILE A 70 0.756 11.736 2.281 1.00 64.12 H new ATOM 0 HD13 ILE A 70 1.376 10.873 0.854 1.00 64.12 H new ATOM 1138 N ILE A 71 3.217 8.549 5.224 1.00 70.52 N ATOM 1139 CA ILE A 71 3.986 7.676 6.103 1.00 5.52 C ATOM 1140 C ILE A 71 3.723 8.063 7.566 1.00 60.02 C ATOM 1141 O ILE A 71 3.497 7.197 8.410 1.00 51.41 O ATOM 1142 CB ILE A 71 5.489 7.760 5.755 1.00 5.34 C ATOM 1143 CG1 ILE A 71 5.846 7.475 4.277 1.00 32.24 C ATOM 1144 CG2 ILE A 71 6.294 6.816 6.646 1.00 73.31 C ATOM 1145 CD1 ILE A 71 5.420 6.117 3.709 1.00 30.43 C ATOM 0 H ILE A 71 3.778 9.022 4.515 1.00 70.52 H new ATOM 0 HA ILE A 71 3.673 6.642 5.961 1.00 5.52 H new ATOM 0 HB ILE A 71 5.751 8.803 5.934 1.00 5.34 H new ATOM 0 HG12 ILE A 71 5.396 8.255 3.663 1.00 32.24 H new ATOM 0 HG13 ILE A 71 6.927 7.565 4.166 1.00 32.24 H new ATOM 0 HG21 ILE A 71 7.351 6.886 6.389 1.00 73.31 H new ATOM 0 HG22 ILE A 71 6.155 7.095 7.691 1.00 73.31 H new ATOM 0 HG23 ILE A 71 5.951 5.792 6.495 1.00 73.31 H new ATOM 0 HD11 ILE A 71 5.730 6.045 2.667 1.00 30.43 H new ATOM 0 HD12 ILE A 71 5.890 5.319 4.283 1.00 30.43 H new ATOM 0 HD13 ILE A 71 4.336 6.020 3.773 1.00 30.43 H new ATOM 1157 N THR A 72 3.739 9.359 7.874 1.00 35.20 N ATOM 1158 CA THR A 72 3.521 9.842 9.228 1.00 23.43 C ATOM 1159 C THR A 72 2.083 9.555 9.677 1.00 54.32 C ATOM 1160 O THR A 72 1.876 9.111 10.806 1.00 33.34 O ATOM 1161 CB THR A 72 3.883 11.335 9.318 1.00 55.22 C ATOM 1162 OG1 THR A 72 5.084 11.594 8.609 1.00 61.25 O ATOM 1163 CG2 THR A 72 4.121 11.752 10.772 1.00 34.30 C ATOM 0 H THR A 72 3.903 10.098 7.191 1.00 35.20 H new ATOM 0 HA THR A 72 4.176 9.307 9.916 1.00 23.43 H new ATOM 0 HB THR A 72 3.050 11.895 8.893 1.00 55.22 H new ATOM 0 HG1 THR A 72 4.892 11.652 7.650 1.00 61.25 H new ATOM 0 HG21 THR A 72 4.375 12.811 10.810 1.00 34.30 H new ATOM 0 HG22 THR A 72 3.217 11.575 11.354 1.00 34.30 H new ATOM 0 HG23 THR A 72 4.941 11.167 11.189 1.00 34.30 H new ATOM 1171 N LYS A 73 1.083 9.762 8.813 1.00 1.34 N ATOM 1172 CA LYS A 73 -0.313 9.490 9.147 1.00 43.55 C ATOM 1173 C LYS A 73 -0.497 7.995 9.426 1.00 24.54 C ATOM 1174 O LYS A 73 -1.040 7.622 10.463 1.00 12.40 O ATOM 1175 CB LYS A 73 -1.236 10.034 8.032 1.00 1.04 C ATOM 1176 CG LYS A 73 -2.385 10.853 8.648 1.00 72.25 C ATOM 1177 CD LYS A 73 -3.372 11.463 7.639 1.00 35.13 C ATOM 1178 CE LYS A 73 -2.737 12.450 6.651 1.00 5.43 C ATOM 1179 NZ LYS A 73 -3.752 13.039 5.750 1.00 33.30 N ATOM 0 H LYS A 73 1.221 10.121 7.868 1.00 1.34 H new ATOM 0 HA LYS A 73 -0.597 10.011 10.061 1.00 43.55 H new ATOM 0 HB2 LYS A 73 -0.662 10.657 7.346 1.00 1.04 H new ATOM 0 HB3 LYS A 73 -1.641 9.207 7.449 1.00 1.04 H new ATOM 0 HG2 LYS A 73 -2.940 10.211 9.332 1.00 72.25 H new ATOM 0 HG3 LYS A 73 -1.956 11.659 9.244 1.00 72.25 H new ATOM 0 HD2 LYS A 73 -3.843 10.657 7.077 1.00 35.13 H new ATOM 0 HD3 LYS A 73 -4.164 11.974 8.187 1.00 35.13 H new ATOM 0 HE2 LYS A 73 -2.232 13.244 7.201 1.00 5.43 H new ATOM 0 HE3 LYS A 73 -1.977 11.938 6.061 1.00 5.43 H new ATOM 0 HZ1 LYS A 73 -3.294 13.714 5.105 1.00 33.30 H new ATOM 0 HZ2 LYS A 73 -4.204 12.284 5.196 1.00 33.30 H new ATOM 0 HZ3 LYS A 73 -4.472 13.533 6.314 1.00 33.30 H new ATOM 1193 N LEU A 74 0.030 7.132 8.554 1.00 60.31 N ATOM 1194 CA LEU A 74 0.010 5.681 8.720 1.00 33.12 C ATOM 1195 C LEU A 74 0.711 5.244 10.001 1.00 73.12 C ATOM 1196 O LEU A 74 0.284 4.266 10.612 1.00 71.34 O ATOM 1197 CB LEU A 74 0.688 4.990 7.527 1.00 71.43 C ATOM 1198 CG LEU A 74 -0.209 4.872 6.285 1.00 21.21 C ATOM 1199 CD1 LEU A 74 0.640 4.435 5.085 1.00 72.42 C ATOM 1200 CD2 LEU A 74 -1.330 3.846 6.514 1.00 20.34 C ATOM 0 H LEU A 74 0.492 7.431 7.695 1.00 60.31 H new ATOM 0 HA LEU A 74 -1.038 5.387 8.777 1.00 33.12 H new ATOM 0 HB2 LEU A 74 1.588 5.545 7.262 1.00 71.43 H new ATOM 0 HB3 LEU A 74 1.006 3.992 7.830 1.00 71.43 H new ATOM 0 HG LEU A 74 -0.662 5.844 6.091 1.00 21.21 H new ATOM 0 HD11 LEU A 74 0.006 4.350 4.202 1.00 72.42 H new ATOM 0 HD12 LEU A 74 1.420 5.174 4.902 1.00 72.42 H new ATOM 0 HD13 LEU A 74 1.099 3.469 5.296 1.00 72.42 H new ATOM 0 HD21 LEU A 74 -1.951 3.781 5.621 1.00 20.34 H new ATOM 0 HD22 LEU A 74 -0.893 2.870 6.724 1.00 20.34 H new ATOM 0 HD23 LEU A 74 -1.942 4.159 7.360 1.00 20.34 H new ATOM 1212 N ASN A 75 1.768 5.938 10.433 1.00 31.24 N ATOM 1213 CA ASN A 75 2.441 5.583 11.681 1.00 43.54 C ATOM 1214 C ASN A 75 1.501 5.708 12.885 1.00 11.14 C ATOM 1215 O ASN A 75 1.719 4.992 13.860 1.00 3.35 O ATOM 1216 CB ASN A 75 3.679 6.453 11.953 1.00 52.24 C ATOM 1217 CG ASN A 75 4.928 6.100 11.161 1.00 3.31 C ATOM 1218 OD1 ASN A 75 5.069 5.020 10.607 1.00 75.01 O ATOM 1219 ND2 ASN A 75 5.921 6.975 11.158 1.00 23.51 N ATOM 0 H ASN A 75 2.170 6.737 9.944 1.00 31.24 H new ATOM 0 HA ASN A 75 2.754 4.546 11.554 1.00 43.54 H new ATOM 0 HB2 ASN A 75 3.422 7.491 11.744 1.00 52.24 H new ATOM 0 HB3 ASN A 75 3.916 6.391 13.015 1.00 52.24 H new ATOM 0 HD21 ASN A 75 6.800 6.747 10.694 1.00 23.51 H new ATOM 0 HD22 ASN A 75 5.807 7.877 11.619 1.00 23.51 H new ATOM 1226 N SER A 76 0.490 6.587 12.851 1.00 24.33 N ATOM 1227 CA SER A 76 -0.413 6.789 13.967 1.00 62.21 C ATOM 1228 C SER A 76 -1.426 5.653 14.099 1.00 65.05 C ATOM 1229 O SER A 76 -1.863 5.372 15.212 1.00 53.12 O ATOM 1230 CB SER A 76 -1.123 8.126 13.777 1.00 30.14 C ATOM 1231 OG SER A 76 -0.576 9.084 14.662 1.00 3.12 O ATOM 0 H SER A 76 0.284 7.174 12.042 1.00 24.33 H new ATOM 0 HA SER A 76 0.165 6.797 14.891 1.00 62.21 H new ATOM 0 HB2 SER A 76 -1.014 8.464 12.747 1.00 30.14 H new ATOM 0 HB3 SER A 76 -2.191 8.012 13.963 1.00 30.14 H new ATOM 0 HG SER A 76 -1.032 9.942 14.537 1.00 3.12 H new ATOM 1237 N LEU A 77 -1.795 4.973 13.007 1.00 20.03 N ATOM 1238 CA LEU A 77 -2.671 3.797 13.099 1.00 12.34 C ATOM 1239 C LEU A 77 -1.960 2.676 13.861 1.00 3.12 C ATOM 1240 O LEU A 77 -2.598 1.926 14.606 1.00 44.13 O ATOM 1241 CB LEU A 77 -3.087 3.298 11.705 1.00 73.31 C ATOM 1242 CG LEU A 77 -3.859 4.322 10.851 1.00 23.53 C ATOM 1243 CD1 LEU A 77 -4.139 3.747 9.462 1.00 42.42 C ATOM 1244 CD2 LEU A 77 -5.185 4.734 11.489 1.00 50.53 C ATOM 0 H LEU A 77 -1.505 5.212 12.059 1.00 20.03 H new ATOM 0 HA LEU A 77 -3.573 4.090 13.637 1.00 12.34 H new ATOM 0 HB2 LEU A 77 -2.192 2.996 11.162 1.00 73.31 H new ATOM 0 HB3 LEU A 77 -3.704 2.407 11.824 1.00 73.31 H new ATOM 0 HG LEU A 77 -3.228 5.207 10.778 1.00 23.53 H new ATOM 0 HD11 LEU A 77 -4.685 4.480 8.868 1.00 42.42 H new ATOM 0 HD12 LEU A 77 -3.196 3.511 8.969 1.00 42.42 H new ATOM 0 HD13 LEU A 77 -4.736 2.840 9.557 1.00 42.42 H new ATOM 0 HD21 LEU A 77 -5.689 5.457 10.847 1.00 50.53 H new ATOM 0 HD22 LEU A 77 -5.818 3.855 11.613 1.00 50.53 H new ATOM 0 HD23 LEU A 77 -4.996 5.185 12.463 1.00 50.53 H new ATOM 1256 N ASN A 78 -0.632 2.612 13.716 1.00 64.51 N ATOM 1257 CA ASN A 78 0.293 1.641 14.295 1.00 32.31 C ATOM 1258 C ASN A 78 -0.198 0.188 14.183 1.00 32.20 C ATOM 1259 O ASN A 78 0.066 -0.642 15.056 1.00 54.10 O ATOM 1260 CB ASN A 78 0.669 2.067 15.726 1.00 31.51 C ATOM 1261 CG ASN A 78 1.955 1.376 16.171 1.00 23.11 C ATOM 1262 OD1 ASN A 78 2.983 1.501 15.503 1.00 34.12 O ATOM 1263 ND2 ASN A 78 1.952 0.680 17.296 1.00 25.53 N ATOM 0 H ASN A 78 -0.139 3.296 13.142 1.00 64.51 H new ATOM 0 HA ASN A 78 1.207 1.645 13.701 1.00 32.31 H new ATOM 0 HB2 ASN A 78 0.798 3.149 15.767 1.00 31.51 H new ATOM 0 HB3 ASN A 78 -0.141 1.816 16.411 1.00 31.51 H new ATOM 0 HD21 ASN A 78 2.810 0.236 17.623 1.00 25.53 H new ATOM 0 HD22 ASN A 78 1.092 0.587 17.836 1.00 25.53 H new ATOM 1270 N GLU A 79 -0.970 -0.113 13.140 1.00 41.32 N ATOM 1271 CA GLU A 79 -1.432 -1.444 12.773 1.00 3.41 C ATOM 1272 C GLU A 79 -0.555 -1.991 11.637 1.00 14.03 C ATOM 1273 O GLU A 79 0.134 -1.218 10.957 1.00 51.24 O ATOM 1274 CB GLU A 79 -2.912 -1.378 12.346 1.00 73.53 C ATOM 1275 CG GLU A 79 -3.852 -1.386 13.563 1.00 63.50 C ATOM 1276 CD GLU A 79 -5.118 -2.226 13.354 1.00 1.04 C ATOM 1277 OE1 GLU A 79 -5.839 -1.979 12.360 1.00 73.44 O ATOM 1278 OE2 GLU A 79 -5.435 -3.053 14.241 1.00 64.25 O ATOM 0 H GLU A 79 -1.306 0.604 12.497 1.00 41.32 H new ATOM 0 HA GLU A 79 -1.352 -2.116 13.628 1.00 3.41 H new ATOM 0 HB2 GLU A 79 -3.082 -0.475 11.760 1.00 73.53 H new ATOM 0 HB3 GLU A 79 -3.144 -2.226 11.701 1.00 73.53 H new ATOM 0 HG2 GLU A 79 -3.310 -1.769 14.428 1.00 63.50 H new ATOM 0 HG3 GLU A 79 -4.140 -0.361 13.796 1.00 63.50 H new ATOM 1285 N PRO A 80 -0.571 -3.315 11.411 1.00 62.10 N ATOM 1286 CA PRO A 80 0.221 -3.929 10.362 1.00 1.20 C ATOM 1287 C PRO A 80 -0.380 -3.604 8.993 1.00 33.45 C ATOM 1288 O PRO A 80 -1.582 -3.795 8.775 1.00 73.54 O ATOM 1289 CB PRO A 80 0.229 -5.426 10.680 1.00 20.34 C ATOM 1290 CG PRO A 80 -1.085 -5.640 11.428 1.00 22.01 C ATOM 1291 CD PRO A 80 -1.279 -4.330 12.182 1.00 72.51 C ATOM 0 HA PRO A 80 1.244 -3.554 10.322 1.00 1.20 H new ATOM 0 HB2 PRO A 80 0.277 -6.029 9.773 1.00 20.34 H new ATOM 0 HB3 PRO A 80 1.088 -5.702 11.292 1.00 20.34 H new ATOM 0 HG2 PRO A 80 -1.910 -5.835 10.743 1.00 22.01 H new ATOM 0 HG3 PRO A 80 -1.027 -6.490 12.108 1.00 22.01 H new ATOM 0 HD2 PRO A 80 -2.337 -4.084 12.272 1.00 72.51 H new ATOM 0 HD3 PRO A 80 -0.881 -4.400 13.194 1.00 72.51 H new ATOM 1299 N LEU A 81 0.444 -3.107 8.068 1.00 5.12 N ATOM 1300 CA LEU A 81 0.006 -2.775 6.722 1.00 43.14 C ATOM 1301 C LEU A 81 0.455 -3.881 5.772 1.00 44.01 C ATOM 1302 O LEU A 81 1.371 -4.659 6.068 1.00 61.32 O ATOM 1303 CB LEU A 81 0.568 -1.418 6.247 1.00 3.31 C ATOM 1304 CG LEU A 81 0.694 -0.307 7.315 1.00 65.33 C ATOM 1305 CD1 LEU A 81 1.491 0.862 6.732 1.00 14.44 C ATOM 1306 CD2 LEU A 81 -0.677 0.192 7.762 1.00 13.22 C ATOM 0 H LEU A 81 1.433 -2.925 8.237 1.00 5.12 H new ATOM 0 HA LEU A 81 -1.081 -2.691 6.727 1.00 43.14 H new ATOM 0 HB2 LEU A 81 1.555 -1.590 5.817 1.00 3.31 H new ATOM 0 HB3 LEU A 81 -0.070 -1.048 5.444 1.00 3.31 H new ATOM 0 HG LEU A 81 1.206 -0.722 8.183 1.00 65.33 H new ATOM 0 HD11 LEU A 81 1.583 1.649 7.481 1.00 14.44 H new ATOM 0 HD12 LEU A 81 2.484 0.517 6.444 1.00 14.44 H new ATOM 0 HD13 LEU A 81 0.974 1.254 5.856 1.00 14.44 H new ATOM 0 HD21 LEU A 81 -0.553 0.972 8.513 1.00 13.22 H new ATOM 0 HD22 LEU A 81 -1.215 0.596 6.904 1.00 13.22 H new ATOM 0 HD23 LEU A 81 -1.244 -0.635 8.189 1.00 13.22 H new ATOM 1318 N VAL A 82 -0.128 -3.887 4.582 1.00 62.44 N ATOM 1319 CA VAL A 82 0.295 -4.678 3.447 1.00 54.24 C ATOM 1320 C VAL A 82 -0.078 -3.848 2.206 1.00 33.15 C ATOM 1321 O VAL A 82 -1.258 -3.657 1.917 1.00 33.10 O ATOM 1322 CB VAL A 82 -0.352 -6.078 3.557 1.00 14.10 C ATOM 1323 CG1 VAL A 82 -1.877 -6.134 3.430 1.00 53.43 C ATOM 1324 CG2 VAL A 82 0.247 -7.032 2.542 1.00 45.24 C ATOM 0 H VAL A 82 -0.946 -3.313 4.377 1.00 62.44 H new ATOM 0 HA VAL A 82 1.365 -4.881 3.392 1.00 54.24 H new ATOM 0 HB VAL A 82 -0.125 -6.376 4.581 1.00 14.10 H new ATOM 0 HG11 VAL A 82 -2.212 -7.167 3.524 1.00 53.43 H new ATOM 0 HG12 VAL A 82 -2.330 -5.533 4.218 1.00 53.43 H new ATOM 0 HG13 VAL A 82 -2.176 -5.742 2.458 1.00 53.43 H new ATOM 0 HG21 VAL A 82 -0.224 -8.010 2.639 1.00 45.24 H new ATOM 0 HG22 VAL A 82 0.078 -6.646 1.537 1.00 45.24 H new ATOM 0 HG23 VAL A 82 1.318 -7.126 2.719 1.00 45.24 H new ATOM 1334 N THR A 83 0.892 -3.249 1.510 1.00 63.53 N ATOM 1335 CA THR A 83 0.596 -2.522 0.279 1.00 4.42 C ATOM 1336 C THR A 83 1.867 -2.363 -0.546 1.00 22.31 C ATOM 1337 O THR A 83 2.968 -2.361 -0.008 1.00 65.41 O ATOM 1338 CB THR A 83 -0.069 -1.169 0.593 1.00 14.24 C ATOM 1339 OG1 THR A 83 -0.840 -0.774 -0.520 1.00 12.13 O ATOM 1340 CG2 THR A 83 0.885 -0.037 0.992 1.00 42.34 C ATOM 0 H THR A 83 1.877 -3.254 1.776 1.00 63.53 H new ATOM 0 HA THR A 83 -0.116 -3.093 -0.316 1.00 4.42 H new ATOM 0 HB THR A 83 -0.682 -1.338 1.478 1.00 14.24 H new ATOM 0 HG1 THR A 83 -1.393 -0.002 -0.277 1.00 12.13 H new ATOM 0 HG21 THR A 83 0.312 0.869 1.191 1.00 42.34 H new ATOM 0 HG22 THR A 83 1.434 -0.323 1.889 1.00 42.34 H new ATOM 0 HG23 THR A 83 1.588 0.149 0.180 1.00 42.34 H new ATOM 1348 N MET A 84 1.715 -2.192 -1.850 1.00 74.32 N ATOM 1349 CA MET A 84 2.782 -1.937 -2.811 1.00 61.14 C ATOM 1350 C MET A 84 3.328 -0.498 -2.645 1.00 25.22 C ATOM 1351 O MET A 84 2.676 0.332 -2.010 1.00 71.04 O ATOM 1352 CB MET A 84 2.203 -2.289 -4.186 1.00 4.44 C ATOM 1353 CG MET A 84 1.093 -1.329 -4.572 1.00 40.12 C ATOM 1354 SD MET A 84 -0.240 -2.124 -5.494 1.00 73.12 S ATOM 1355 CE MET A 84 -1.482 -2.176 -4.174 1.00 63.13 C ATOM 0 H MET A 84 0.796 -2.229 -2.292 1.00 74.32 H new ATOM 0 HA MET A 84 3.669 -2.552 -2.658 1.00 61.14 H new ATOM 0 HB2 MET A 84 2.993 -2.257 -4.936 1.00 4.44 H new ATOM 0 HB3 MET A 84 1.818 -3.309 -4.172 1.00 4.44 H new ATOM 0 HG2 MET A 84 0.683 -0.875 -3.670 1.00 40.12 H new ATOM 0 HG3 MET A 84 1.511 -0.522 -5.173 1.00 40.12 H new ATOM 0 HE1 MET A 84 -2.361 -2.718 -4.523 1.00 63.13 H new ATOM 0 HE2 MET A 84 -1.066 -2.681 -3.303 1.00 63.13 H new ATOM 0 HE3 MET A 84 -1.767 -1.160 -3.902 1.00 63.13 H new ATOM 1365 N PRO A 85 4.526 -0.171 -3.166 1.00 60.03 N ATOM 1366 CA PRO A 85 5.215 1.078 -2.848 1.00 61.22 C ATOM 1367 C PRO A 85 4.451 2.286 -3.386 1.00 10.43 C ATOM 1368 O PRO A 85 4.214 2.395 -4.589 1.00 75.23 O ATOM 1369 CB PRO A 85 6.602 0.952 -3.476 1.00 25.54 C ATOM 1370 CG PRO A 85 6.399 -0.031 -4.626 1.00 11.44 C ATOM 1371 CD PRO A 85 5.342 -0.975 -4.062 1.00 73.33 C ATOM 0 HA PRO A 85 5.285 1.238 -1.772 1.00 61.22 H new ATOM 0 HB2 PRO A 85 6.967 1.915 -3.834 1.00 25.54 H new ATOM 0 HB3 PRO A 85 7.333 0.581 -2.758 1.00 25.54 H new ATOM 0 HG2 PRO A 85 6.057 0.468 -5.532 1.00 11.44 H new ATOM 0 HG3 PRO A 85 7.320 -0.556 -4.880 1.00 11.44 H new ATOM 0 HD2 PRO A 85 4.737 -1.406 -4.860 1.00 73.33 H new ATOM 0 HD3 PRO A 85 5.805 -1.806 -3.529 1.00 73.33 H new ATOM 1379 N ILE A 86 4.065 3.192 -2.487 1.00 15.14 N ATOM 1380 CA ILE A 86 3.214 4.336 -2.788 1.00 60.31 C ATOM 1381 C ILE A 86 3.920 5.261 -3.788 1.00 61.32 C ATOM 1382 O ILE A 86 3.485 5.414 -4.934 1.00 70.11 O ATOM 1383 CB ILE A 86 2.796 5.060 -1.485 1.00 12.40 C ATOM 1384 CG1 ILE A 86 2.240 4.057 -0.440 1.00 61.23 C ATOM 1385 CG2 ILE A 86 1.821 6.194 -1.845 1.00 10.50 C ATOM 1386 CD1 ILE A 86 1.395 4.664 0.688 1.00 51.13 C ATOM 0 H ILE A 86 4.344 3.147 -1.507 1.00 15.14 H new ATOM 0 HA ILE A 86 2.292 3.996 -3.260 1.00 60.31 H new ATOM 0 HB ILE A 86 3.662 5.512 -1.003 1.00 12.40 H new ATOM 0 HG12 ILE A 86 1.635 3.316 -0.962 1.00 61.23 H new ATOM 0 HG13 ILE A 86 3.080 3.525 0.007 1.00 61.23 H new ATOM 0 HG21 ILE A 86 1.517 6.714 -0.937 1.00 10.50 H new ATOM 0 HG22 ILE A 86 2.312 6.896 -2.518 1.00 10.50 H new ATOM 0 HG23 ILE A 86 0.942 5.776 -2.335 1.00 10.50 H new ATOM 0 HD11 ILE A 86 1.060 3.872 1.358 1.00 51.13 H new ATOM 0 HD12 ILE A 86 1.996 5.382 1.246 1.00 51.13 H new ATOM 0 HD13 ILE A 86 0.528 5.169 0.262 1.00 51.13 H new ATOM 1398 N GLY A 87 5.014 5.886 -3.349 1.00 72.34 N ATOM 1399 CA GLY A 87 5.653 6.976 -4.071 1.00 32.32 C ATOM 1400 C GLY A 87 6.360 6.511 -5.342 1.00 14.43 C ATOM 1401 O GLY A 87 6.625 7.332 -6.214 1.00 31.30 O ATOM 0 H GLY A 87 5.481 5.644 -2.475 1.00 72.34 H new ATOM 0 HA2 GLY A 87 4.903 7.723 -4.331 1.00 32.32 H new ATOM 0 HA3 GLY A 87 6.375 7.464 -3.417 1.00 32.32 H new ATOM 1405 N TYR A 88 6.596 5.204 -5.496 1.00 2.32 N ATOM 1406 CA TYR A 88 7.153 4.611 -6.719 1.00 34.21 C ATOM 1407 C TYR A 88 6.316 4.961 -7.953 1.00 72.32 C ATOM 1408 O TYR A 88 6.825 4.968 -9.070 1.00 35.35 O ATOM 1409 CB TYR A 88 7.248 3.089 -6.545 1.00 45.11 C ATOM 1410 CG TYR A 88 7.867 2.318 -7.698 1.00 42.02 C ATOM 1411 CD1 TYR A 88 9.267 2.169 -7.808 1.00 12.54 C ATOM 1412 CD2 TYR A 88 7.026 1.744 -8.669 1.00 24.14 C ATOM 1413 CE1 TYR A 88 9.826 1.450 -8.884 1.00 61.00 C ATOM 1414 CE2 TYR A 88 7.568 1.042 -9.754 1.00 64.42 C ATOM 1415 CZ TYR A 88 8.970 0.885 -9.865 1.00 25.01 C ATOM 1416 OH TYR A 88 9.462 0.152 -10.906 1.00 34.03 O ATOM 0 H TYR A 88 6.403 4.518 -4.766 1.00 2.32 H new ATOM 0 HA TYR A 88 8.148 5.025 -6.881 1.00 34.21 H new ATOM 0 HB2 TYR A 88 7.828 2.883 -5.645 1.00 45.11 H new ATOM 0 HB3 TYR A 88 6.244 2.701 -6.373 1.00 45.11 H new ATOM 0 HD1 TYR A 88 9.914 2.609 -7.063 1.00 12.54 H new ATOM 0 HD2 TYR A 88 5.955 1.845 -8.577 1.00 24.14 H new ATOM 0 HE1 TYR A 88 10.897 1.330 -8.961 1.00 61.00 H new ATOM 0 HE2 TYR A 88 6.916 0.621 -10.505 1.00 64.42 H new ATOM 0 HH TYR A 88 8.721 -0.151 -11.471 1.00 34.03 H new ATOM 1426 N VAL A 89 5.042 5.291 -7.747 1.00 54.32 N ATOM 1427 CA VAL A 89 4.083 5.563 -8.800 1.00 54.25 C ATOM 1428 C VAL A 89 3.753 7.056 -8.739 1.00 23.34 C ATOM 1429 O VAL A 89 4.289 7.807 -9.551 1.00 73.31 O ATOM 1430 CB VAL A 89 2.895 4.581 -8.728 1.00 73.31 C ATOM 1431 CG1 VAL A 89 1.910 4.802 -9.881 1.00 51.13 C ATOM 1432 CG2 VAL A 89 3.389 3.125 -8.777 1.00 72.42 C ATOM 0 H VAL A 89 4.643 5.377 -6.812 1.00 54.32 H new ATOM 0 HA VAL A 89 4.481 5.377 -9.798 1.00 54.25 H new ATOM 0 HB VAL A 89 2.385 4.770 -7.783 1.00 73.31 H new ATOM 0 HG11 VAL A 89 1.087 4.093 -9.797 1.00 51.13 H new ATOM 0 HG12 VAL A 89 1.519 5.818 -9.836 1.00 51.13 H new ATOM 0 HG13 VAL A 89 2.423 4.652 -10.831 1.00 51.13 H new ATOM 0 HG21 VAL A 89 2.535 2.449 -8.725 1.00 72.42 H new ATOM 0 HG22 VAL A 89 3.930 2.955 -9.708 1.00 72.42 H new ATOM 0 HG23 VAL A 89 4.052 2.937 -7.933 1.00 72.42 H new ATOM 1442 N THR A 90 2.970 7.524 -7.760 1.00 3.14 N ATOM 1443 CA THR A 90 2.462 8.899 -7.777 1.00 34.31 C ATOM 1444 C THR A 90 3.569 9.969 -7.689 1.00 74.14 C ATOM 1445 O THR A 90 3.346 11.096 -8.129 1.00 43.11 O ATOM 1446 CB THR A 90 1.372 9.067 -6.698 1.00 34.25 C ATOM 1447 OG1 THR A 90 0.656 10.262 -6.889 1.00 53.54 O ATOM 1448 CG2 THR A 90 1.911 8.993 -5.262 1.00 64.43 C ATOM 0 H THR A 90 2.677 6.975 -6.952 1.00 3.14 H new ATOM 0 HA THR A 90 2.007 9.071 -8.753 1.00 34.31 H new ATOM 0 HB THR A 90 0.700 8.218 -6.821 1.00 34.25 H new ATOM 0 HG1 THR A 90 0.259 10.266 -7.785 1.00 53.54 H new ATOM 0 HG21 THR A 90 1.089 9.119 -4.558 1.00 64.43 H new ATOM 0 HG22 THR A 90 2.382 8.024 -5.100 1.00 64.43 H new ATOM 0 HG23 THR A 90 2.645 9.784 -5.108 1.00 64.43 H new ATOM 1456 N HIS A 91 4.755 9.647 -7.155 1.00 2.20 N ATOM 1457 CA HIS A 91 5.895 10.566 -7.108 1.00 44.54 C ATOM 1458 C HIS A 91 6.940 10.213 -8.182 1.00 1.33 C ATOM 1459 O HIS A 91 7.850 11.001 -8.453 1.00 12.22 O ATOM 1460 CB HIS A 91 6.495 10.546 -5.691 1.00 22.20 C ATOM 1461 CG HIS A 91 7.175 11.830 -5.293 1.00 41.11 C ATOM 1462 ND1 HIS A 91 8.233 12.425 -5.944 1.00 20.44 N ATOM 1463 CD2 HIS A 91 6.865 12.604 -4.206 1.00 20.10 C ATOM 1464 CE1 HIS A 91 8.533 13.549 -5.274 1.00 45.35 C ATOM 1465 NE2 HIS A 91 7.743 13.691 -4.193 1.00 12.11 N ATOM 0 H HIS A 91 4.949 8.735 -6.741 1.00 2.20 H new ATOM 0 HA HIS A 91 5.557 11.578 -7.330 1.00 44.54 H new ATOM 0 HB2 HIS A 91 5.702 10.330 -4.975 1.00 22.20 H new ATOM 0 HB3 HIS A 91 7.215 9.730 -5.624 1.00 22.20 H new ATOM 0 HD1 HIS A 91 8.702 12.076 -6.780 1.00 20.44 H new ATOM 0 HD2 HIS A 91 6.082 12.409 -3.488 1.00 20.10 H new ATOM 0 HE1 HIS A 91 9.305 14.246 -5.564 1.00 45.35 H new ATOM 1473 N GLY A 92 6.815 9.041 -8.812 1.00 44.11 N ATOM 1474 CA GLY A 92 7.801 8.498 -9.726 1.00 64.35 C ATOM 1475 C GLY A 92 9.122 8.190 -9.027 1.00 73.01 C ATOM 1476 O GLY A 92 10.175 8.457 -9.604 1.00 51.24 O ATOM 0 H GLY A 92 6.003 8.436 -8.692 1.00 44.11 H new ATOM 0 HA2 GLY A 92 7.411 7.587 -10.181 1.00 64.35 H new ATOM 0 HA3 GLY A 92 7.976 9.208 -10.534 1.00 64.35 H new ATOM 1480 N PHE A 93 9.104 7.686 -7.787 1.00 31.21 N ATOM 1481 CA PHE A 93 10.357 7.309 -7.134 1.00 22.51 C ATOM 1482 C PHE A 93 10.941 6.074 -7.820 1.00 23.41 C ATOM 1483 O PHE A 93 10.213 5.125 -8.101 1.00 73.12 O ATOM 1484 CB PHE A 93 10.157 7.028 -5.636 1.00 63.22 C ATOM 1485 CG PHE A 93 9.943 8.249 -4.765 1.00 45.14 C ATOM 1486 CD1 PHE A 93 10.698 9.419 -4.966 1.00 61.13 C ATOM 1487 CD2 PHE A 93 8.999 8.211 -3.727 1.00 74.11 C ATOM 1488 CE1 PHE A 93 10.444 10.567 -4.204 1.00 22.43 C ATOM 1489 CE2 PHE A 93 8.742 9.363 -2.963 1.00 45.41 C ATOM 1490 CZ PHE A 93 9.454 10.548 -3.209 1.00 23.45 C ATOM 0 H PHE A 93 8.262 7.534 -7.232 1.00 31.21 H new ATOM 0 HA PHE A 93 11.048 8.147 -7.225 1.00 22.51 H new ATOM 0 HB2 PHE A 93 9.299 6.366 -5.520 1.00 63.22 H new ATOM 0 HB3 PHE A 93 11.029 6.488 -5.266 1.00 63.22 H new ATOM 0 HD1 PHE A 93 11.478 9.432 -5.712 1.00 61.13 H new ATOM 0 HD2 PHE A 93 8.469 7.294 -3.515 1.00 74.11 H new ATOM 0 HE1 PHE A 93 11.011 11.469 -4.383 1.00 22.43 H new ATOM 0 HE2 PHE A 93 7.994 9.336 -2.184 1.00 45.41 H new ATOM 0 HZ PHE A 93 9.241 11.439 -2.637 1.00 23.45 H new ATOM 1500 N ASN A 94 12.264 6.033 -8.015 1.00 13.20 N ATOM 1501 CA ASN A 94 12.941 4.786 -8.383 1.00 3.43 C ATOM 1502 C ASN A 94 12.840 3.789 -7.224 1.00 15.15 C ATOM 1503 O ASN A 94 12.499 4.168 -6.104 1.00 54.30 O ATOM 1504 CB ASN A 94 14.420 5.035 -8.734 1.00 30.24 C ATOM 1505 CG ASN A 94 14.628 5.871 -9.993 1.00 10.13 C ATOM 1506 OD1 ASN A 94 15.316 6.884 -9.968 1.00 71.24 O ATOM 1507 ND2 ASN A 94 14.063 5.470 -11.122 1.00 64.04 N ATOM 0 H ASN A 94 12.881 6.840 -7.925 1.00 13.20 H new ATOM 0 HA ASN A 94 12.451 4.376 -9.266 1.00 3.43 H new ATOM 0 HB2 ASN A 94 14.902 5.535 -7.894 1.00 30.24 H new ATOM 0 HB3 ASN A 94 14.919 4.074 -8.862 1.00 30.24 H new ATOM 0 HD21 ASN A 94 14.199 6.006 -11.979 1.00 64.04 H new ATOM 0 HD22 ASN A 94 13.492 4.625 -11.134 1.00 64.04 H new ATOM 1514 N LEU A 95 13.184 2.519 -7.450 1.00 32.21 N ATOM 1515 CA LEU A 95 12.998 1.440 -6.479 1.00 43.31 C ATOM 1516 C LEU A 95 13.688 1.750 -5.146 1.00 25.04 C ATOM 1517 O LEU A 95 13.132 1.512 -4.077 1.00 72.13 O ATOM 1518 CB LEU A 95 13.549 0.109 -7.037 1.00 62.23 C ATOM 1519 CG LEU A 95 12.626 -1.118 -6.940 1.00 34.23 C ATOM 1520 CD1 LEU A 95 13.428 -2.417 -7.134 1.00 62.32 C ATOM 1521 CD2 LEU A 95 11.882 -1.241 -5.615 1.00 64.21 C ATOM 0 H LEU A 95 13.605 2.208 -8.325 1.00 32.21 H new ATOM 0 HA LEU A 95 11.926 1.351 -6.301 1.00 43.31 H new ATOM 0 HB2 LEU A 95 13.804 0.260 -8.086 1.00 62.23 H new ATOM 0 HB3 LEU A 95 14.477 -0.121 -6.513 1.00 62.23 H new ATOM 0 HG LEU A 95 11.890 -0.970 -7.730 1.00 34.23 H new ATOM 0 HD11 LEU A 95 12.757 -3.273 -7.062 1.00 62.32 H new ATOM 0 HD12 LEU A 95 13.902 -2.409 -8.116 1.00 62.32 H new ATOM 0 HD13 LEU A 95 14.194 -2.490 -6.362 1.00 62.32 H new ATOM 0 HD21 LEU A 95 11.255 -2.132 -5.631 1.00 64.21 H new ATOM 0 HD22 LEU A 95 12.601 -1.319 -4.800 1.00 64.21 H new ATOM 0 HD23 LEU A 95 11.257 -0.360 -5.465 1.00 64.21 H new ATOM 1533 N GLU A 96 14.912 2.277 -5.208 1.00 14.30 N ATOM 1534 CA GLU A 96 15.773 2.477 -4.045 1.00 61.35 C ATOM 1535 C GLU A 96 15.311 3.682 -3.214 1.00 51.21 C ATOM 1536 O GLU A 96 15.504 3.699 -1.997 1.00 54.53 O ATOM 1537 CB GLU A 96 17.203 2.637 -4.577 1.00 44.55 C ATOM 1538 CG GLU A 96 18.315 2.804 -3.538 1.00 4.31 C ATOM 1539 CD GLU A 96 19.694 2.783 -4.209 1.00 31.34 C ATOM 1540 OE1 GLU A 96 19.935 3.641 -5.093 1.00 50.03 O ATOM 1541 OE2 GLU A 96 20.536 1.929 -3.849 1.00 50.22 O ATOM 0 H GLU A 96 15.338 2.581 -6.083 1.00 14.30 H new ATOM 0 HA GLU A 96 15.726 1.626 -3.365 1.00 61.35 H new ATOM 0 HB2 GLU A 96 17.437 1.765 -5.187 1.00 44.55 H new ATOM 0 HB3 GLU A 96 17.224 3.503 -5.238 1.00 44.55 H new ATOM 0 HG2 GLU A 96 18.180 3.744 -3.002 1.00 4.31 H new ATOM 0 HG3 GLU A 96 18.252 2.004 -2.800 1.00 4.31 H new ATOM 1548 N GLU A 97 14.669 4.656 -3.868 1.00 31.53 N ATOM 1549 CA GLU A 97 14.026 5.829 -3.284 1.00 73.00 C ATOM 1550 C GLU A 97 12.711 5.388 -2.634 1.00 21.32 C ATOM 1551 O GLU A 97 12.457 5.653 -1.461 1.00 12.22 O ATOM 1552 CB GLU A 97 13.741 6.842 -4.409 1.00 12.52 C ATOM 1553 CG GLU A 97 14.990 7.477 -5.021 1.00 1.42 C ATOM 1554 CD GLU A 97 15.444 8.695 -4.221 1.00 53.42 C ATOM 1555 OE1 GLU A 97 14.728 9.723 -4.239 1.00 4.04 O ATOM 1556 OE2 GLU A 97 16.512 8.612 -3.573 1.00 51.11 O ATOM 0 H GLU A 97 14.581 4.641 -4.884 1.00 31.53 H new ATOM 0 HA GLU A 97 14.667 6.291 -2.533 1.00 73.00 H new ATOM 0 HB2 GLU A 97 13.179 6.341 -5.198 1.00 12.52 H new ATOM 0 HB3 GLU A 97 13.102 7.633 -4.016 1.00 12.52 H new ATOM 0 HG2 GLU A 97 15.794 6.742 -5.055 1.00 1.42 H new ATOM 0 HG3 GLU A 97 14.783 7.772 -6.050 1.00 1.42 H new ATOM 1563 N ALA A 98 11.883 4.661 -3.386 1.00 60.43 N ATOM 1564 CA ALA A 98 10.616 4.109 -2.943 1.00 22.35 C ATOM 1565 C ALA A 98 10.791 3.234 -1.700 1.00 12.21 C ATOM 1566 O ALA A 98 9.939 3.282 -0.807 1.00 52.34 O ATOM 1567 CB ALA A 98 10.004 3.299 -4.084 1.00 61.15 C ATOM 0 H ALA A 98 12.092 4.436 -4.359 1.00 60.43 H new ATOM 0 HA ALA A 98 9.950 4.928 -2.671 1.00 22.35 H new ATOM 0 HB1 ALA A 98 9.051 2.879 -3.762 1.00 61.15 H new ATOM 0 HB2 ALA A 98 9.842 3.948 -4.945 1.00 61.15 H new ATOM 0 HB3 ALA A 98 10.681 2.491 -4.361 1.00 61.15 H new ATOM 1573 N ALA A 99 11.883 2.466 -1.639 1.00 0.21 N ATOM 1574 CA ALA A 99 12.277 1.697 -0.472 1.00 12.22 C ATOM 1575 C ALA A 99 12.551 2.618 0.717 1.00 51.15 C ATOM 1576 O ALA A 99 12.077 2.341 1.814 1.00 51.55 O ATOM 1577 CB ALA A 99 13.508 0.842 -0.801 1.00 74.12 C ATOM 0 H ALA A 99 12.528 2.365 -2.423 1.00 0.21 H new ATOM 0 HA ALA A 99 11.458 1.034 -0.195 1.00 12.22 H new ATOM 0 HB1 ALA A 99 13.798 0.268 0.079 1.00 74.12 H new ATOM 0 HB2 ALA A 99 13.270 0.160 -1.617 1.00 74.12 H new ATOM 0 HB3 ALA A 99 14.332 1.490 -1.099 1.00 74.12 H new ATOM 1583 N ARG A 100 13.278 3.728 0.531 1.00 22.32 N ATOM 1584 CA ARG A 100 13.562 4.672 1.621 1.00 72.21 C ATOM 1585 C ARG A 100 12.251 5.228 2.163 1.00 1.30 C ATOM 1586 O ARG A 100 12.089 5.311 3.379 1.00 5.21 O ATOM 1587 CB ARG A 100 14.493 5.813 1.161 1.00 1.14 C ATOM 1588 CG ARG A 100 15.848 5.316 0.632 1.00 12.14 C ATOM 1589 CD ARG A 100 17.062 5.672 1.504 1.00 52.54 C ATOM 1590 NE ARG A 100 17.826 6.829 0.998 1.00 2.24 N ATOM 1591 CZ ARG A 100 18.714 6.818 -0.010 1.00 31.51 C ATOM 1592 NH1 ARG A 100 18.894 5.736 -0.769 1.00 14.42 N ATOM 1593 NH2 ARG A 100 19.443 7.903 -0.236 1.00 73.30 N ATOM 0 H ARG A 100 13.681 3.995 -0.367 1.00 22.32 H new ATOM 0 HA ARG A 100 14.084 4.136 2.414 1.00 72.21 H new ATOM 0 HB2 ARG A 100 13.994 6.387 0.380 1.00 1.14 H new ATOM 0 HB3 ARG A 100 14.664 6.492 1.996 1.00 1.14 H new ATOM 0 HG2 ARG A 100 15.803 4.232 0.526 1.00 12.14 H new ATOM 0 HG3 ARG A 100 16.004 5.728 -0.365 1.00 12.14 H new ATOM 0 HD2 ARG A 100 16.722 5.885 2.518 1.00 52.54 H new ATOM 0 HD3 ARG A 100 17.723 4.807 1.564 1.00 52.54 H new ATOM 0 HE ARG A 100 17.664 7.724 1.459 1.00 2.24 H new ATOM 0 HH11 ARG A 100 18.351 4.891 -0.590 1.00 14.42 H new ATOM 0 HH12 ARG A 100 19.575 5.753 -1.528 1.00 14.42 H new ATOM 0 HH21 ARG A 100 19.325 8.728 0.351 1.00 73.30 H new ATOM 0 HH22 ARG A 100 20.122 7.912 -0.997 1.00 73.30 H new ATOM 1607 N CYS A 101 11.311 5.573 1.281 1.00 70.40 N ATOM 1608 CA CYS A 101 9.996 6.061 1.661 1.00 43.44 C ATOM 1609 C CYS A 101 9.255 5.079 2.555 1.00 1.20 C ATOM 1610 O CYS A 101 8.771 5.460 3.620 1.00 23.45 O ATOM 1611 CB CYS A 101 9.180 6.345 0.403 1.00 72.41 C ATOM 1612 SG CYS A 101 9.840 7.827 -0.377 1.00 15.34 S ATOM 0 H CYS A 101 11.449 5.518 0.272 1.00 70.40 H new ATOM 0 HA CYS A 101 10.131 6.978 2.235 1.00 43.44 H new ATOM 0 HB2 CYS A 101 9.233 5.499 -0.283 1.00 72.41 H new ATOM 0 HB3 CYS A 101 8.129 6.485 0.656 1.00 72.41 H new ATOM 0 HG CYS A 101 9.347 7.943 -1.574 1.00 15.34 H new ATOM 1618 N MET A 102 9.131 3.828 2.120 1.00 34.03 N ATOM 1619 CA MET A 102 8.425 2.818 2.896 1.00 2.14 C ATOM 1620 C MET A 102 9.195 2.522 4.187 1.00 52.32 C ATOM 1621 O MET A 102 8.565 2.349 5.229 1.00 34.12 O ATOM 1622 CB MET A 102 8.187 1.579 2.021 1.00 51.15 C ATOM 1623 CG MET A 102 7.262 1.889 0.831 1.00 62.13 C ATOM 1624 SD MET A 102 5.563 2.403 1.217 1.00 51.13 S ATOM 1625 CE MET A 102 4.731 0.807 1.429 1.00 44.24 C ATOM 0 H MET A 102 9.510 3.492 1.235 1.00 34.03 H new ATOM 0 HA MET A 102 7.444 3.180 3.203 1.00 2.14 H new ATOM 0 HB2 MET A 102 9.142 1.206 1.651 1.00 51.15 H new ATOM 0 HB3 MET A 102 7.748 0.786 2.626 1.00 51.15 H new ATOM 0 HG2 MET A 102 7.727 2.676 0.237 1.00 62.13 H new ATOM 0 HG3 MET A 102 7.212 1.001 0.201 1.00 62.13 H new ATOM 0 HE1 MET A 102 3.681 0.973 1.669 1.00 44.24 H new ATOM 0 HE2 MET A 102 4.805 0.232 0.506 1.00 44.24 H new ATOM 0 HE3 MET A 102 5.206 0.254 2.240 1.00 44.24 H new ATOM 1635 N ARG A 103 10.529 2.557 4.178 1.00 33.52 N ATOM 1636 CA ARG A 103 11.347 2.368 5.369 1.00 22.12 C ATOM 1637 C ARG A 103 11.220 3.534 6.359 1.00 15.11 C ATOM 1638 O ARG A 103 11.438 3.328 7.554 1.00 42.35 O ATOM 1639 CB ARG A 103 12.796 2.145 4.922 1.00 64.45 C ATOM 1640 CG ARG A 103 13.706 1.556 6.014 1.00 40.10 C ATOM 1641 CD ARG A 103 14.861 2.504 6.318 1.00 5.25 C ATOM 1642 NE ARG A 103 14.449 3.645 7.146 1.00 44.31 N ATOM 1643 CZ ARG A 103 15.040 4.845 7.179 1.00 32.44 C ATOM 1644 NH1 ARG A 103 16.134 5.096 6.460 1.00 54.45 N ATOM 1645 NH2 ARG A 103 14.512 5.799 7.938 1.00 30.51 N ATOM 0 H ARG A 103 11.074 2.720 3.331 1.00 33.52 H new ATOM 0 HA ARG A 103 10.993 1.493 5.915 1.00 22.12 H new ATOM 0 HB2 ARG A 103 12.801 1.477 4.061 1.00 64.45 H new ATOM 0 HB3 ARG A 103 13.213 3.096 4.590 1.00 64.45 H new ATOM 0 HG2 ARG A 103 13.127 1.377 6.920 1.00 40.10 H new ATOM 0 HG3 ARG A 103 14.096 0.591 5.689 1.00 40.10 H new ATOM 0 HD2 ARG A 103 15.652 1.955 6.829 1.00 5.25 H new ATOM 0 HD3 ARG A 103 15.281 2.872 5.382 1.00 5.25 H new ATOM 0 HE ARG A 103 13.639 3.510 7.751 1.00 44.31 H new ATOM 0 HH11 ARG A 103 16.536 4.367 5.871 1.00 54.45 H new ATOM 0 HH12 ARG A 103 16.570 6.017 6.499 1.00 54.45 H new ATOM 0 HH21 ARG A 103 13.670 5.610 8.483 1.00 30.51 H new ATOM 0 HH22 ARG A 103 14.948 6.720 7.976 1.00 30.51 H new ATOM 1659 N SER A 104 10.849 4.751 5.939 1.00 61.04 N ATOM 1660 CA SER A 104 10.519 5.846 6.862 1.00 63.03 C ATOM 1661 C SER A 104 9.297 5.521 7.750 1.00 53.34 C ATOM 1662 O SER A 104 9.041 6.234 8.731 1.00 52.41 O ATOM 1663 CB SER A 104 10.283 7.161 6.100 1.00 53.35 C ATOM 1664 OG SER A 104 11.453 7.648 5.463 1.00 30.14 O ATOM 0 H SER A 104 10.769 5.004 4.954 1.00 61.04 H new ATOM 0 HA SER A 104 11.381 5.966 7.519 1.00 63.03 H new ATOM 0 HB2 SER A 104 9.506 7.007 5.352 1.00 53.35 H new ATOM 0 HB3 SER A 104 9.912 7.916 6.794 1.00 53.35 H new ATOM 0 HG SER A 104 11.751 7.002 4.789 1.00 30.14 H new ATOM 1670 N LEU A 105 8.515 4.486 7.415 1.00 41.32 N ATOM 1671 CA LEU A 105 7.351 4.039 8.172 1.00 61.22 C ATOM 1672 C LEU A 105 7.847 3.162 9.323 1.00 62.22 C ATOM 1673 O LEU A 105 8.700 2.294 9.129 1.00 12.01 O ATOM 1674 CB LEU A 105 6.385 3.310 7.212 1.00 44.31 C ATOM 1675 CG LEU A 105 4.892 3.597 7.463 1.00 51.32 C ATOM 1676 CD1 LEU A 105 4.075 3.390 6.190 1.00 64.11 C ATOM 1677 CD2 LEU A 105 4.270 2.720 8.513 1.00 50.21 C ATOM 0 H LEU A 105 8.686 3.923 6.582 1.00 41.32 H new ATOM 0 HA LEU A 105 6.793 4.868 8.607 1.00 61.22 H new ATOM 0 HB2 LEU A 105 6.629 3.594 6.188 1.00 44.31 H new ATOM 0 HB3 LEU A 105 6.554 2.236 7.294 1.00 44.31 H new ATOM 0 HG LEU A 105 4.869 4.632 7.804 1.00 51.32 H new ATOM 0 HD11 LEU A 105 3.025 3.599 6.394 1.00 64.11 H new ATOM 0 HD12 LEU A 105 4.435 4.064 5.413 1.00 64.11 H new ATOM 0 HD13 LEU A 105 4.181 2.359 5.853 1.00 64.11 H new ATOM 0 HD21 LEU A 105 3.219 2.984 8.631 1.00 50.21 H new ATOM 0 HD22 LEU A 105 4.350 1.676 8.210 1.00 50.21 H new ATOM 0 HD23 LEU A 105 4.789 2.863 9.461 1.00 50.21 H new ATOM 1689 N LYS A 106 7.362 3.424 10.536 1.00 45.45 N ATOM 1690 CA LYS A 106 7.730 2.684 11.740 1.00 63.32 C ATOM 1691 C LYS A 106 6.889 1.416 11.886 1.00 51.23 C ATOM 1692 O LYS A 106 7.422 0.394 12.318 1.00 55.04 O ATOM 1693 CB LYS A 106 7.586 3.578 12.979 1.00 13.21 C ATOM 1694 CG LYS A 106 8.589 4.747 12.976 1.00 50.54 C ATOM 1695 CD LYS A 106 8.949 5.157 14.408 1.00 72.40 C ATOM 1696 CE LYS A 106 9.777 6.446 14.439 1.00 53.44 C ATOM 1697 NZ LYS A 106 10.226 6.763 15.811 1.00 42.44 N ATOM 0 H LYS A 106 6.690 4.171 10.712 1.00 45.45 H new ATOM 0 HA LYS A 106 8.773 2.382 11.649 1.00 63.32 H new ATOM 0 HB2 LYS A 106 6.571 3.973 13.023 1.00 13.21 H new ATOM 0 HB3 LYS A 106 7.734 2.978 13.877 1.00 13.21 H new ATOM 0 HG2 LYS A 106 9.491 4.457 12.438 1.00 50.54 H new ATOM 0 HG3 LYS A 106 8.161 5.598 12.446 1.00 50.54 H new ATOM 0 HD2 LYS A 106 8.036 5.297 14.986 1.00 72.40 H new ATOM 0 HD3 LYS A 106 9.509 4.353 14.886 1.00 72.40 H new ATOM 0 HE2 LYS A 106 10.643 6.340 13.786 1.00 53.44 H new ATOM 0 HE3 LYS A 106 9.183 7.272 14.049 1.00 53.44 H new ATOM 0 HZ1 LYS A 106 10.784 7.641 15.800 1.00 42.44 H new ATOM 0 HZ2 LYS A 106 9.398 6.887 16.427 1.00 42.44 H new ATOM 0 HZ3 LYS A 106 10.813 5.984 16.173 1.00 42.44 H new ATOM 1711 N ALA A 107 5.602 1.484 11.530 1.00 61.13 N ATOM 1712 CA ALA A 107 4.740 0.314 11.411 1.00 32.33 C ATOM 1713 C ALA A 107 5.219 -0.543 10.223 1.00 23.14 C ATOM 1714 O ALA A 107 5.910 -0.021 9.336 1.00 25.32 O ATOM 1715 CB ALA A 107 3.289 0.797 11.257 1.00 31.31 C ATOM 0 H ALA A 107 5.130 2.362 11.316 1.00 61.13 H new ATOM 0 HA ALA A 107 4.787 -0.317 12.299 1.00 32.33 H new ATOM 0 HB1 ALA A 107 2.627 -0.064 11.166 1.00 31.31 H new ATOM 0 HB2 ALA A 107 3.006 1.382 12.132 1.00 31.31 H new ATOM 0 HB3 ALA A 107 3.204 1.416 10.364 1.00 31.31 H new ATOM 1721 N PRO A 108 4.892 -1.845 10.165 1.00 73.33 N ATOM 1722 CA PRO A 108 5.360 -2.690 9.083 1.00 0.15 C ATOM 1723 C PRO A 108 4.486 -2.457 7.850 1.00 23.42 C ATOM 1724 O PRO A 108 3.301 -2.138 7.967 1.00 64.31 O ATOM 1725 CB PRO A 108 5.224 -4.120 9.604 1.00 54.22 C ATOM 1726 CG PRO A 108 3.962 -4.029 10.453 1.00 62.34 C ATOM 1727 CD PRO A 108 4.000 -2.606 11.032 1.00 4.32 C ATOM 0 HA PRO A 108 6.388 -2.480 8.789 1.00 0.15 H new ATOM 0 HB2 PRO A 108 5.119 -4.841 8.794 1.00 54.22 H new ATOM 0 HB3 PRO A 108 6.090 -4.424 10.192 1.00 54.22 H new ATOM 0 HG2 PRO A 108 3.066 -4.191 9.854 1.00 62.34 H new ATOM 0 HG3 PRO A 108 3.958 -4.780 11.243 1.00 62.34 H new ATOM 0 HD2 PRO A 108 3.003 -2.165 11.050 1.00 4.32 H new ATOM 0 HD3 PRO A 108 4.365 -2.612 12.059 1.00 4.32 H new ATOM 1735 N ALA A 109 5.038 -2.701 6.668 1.00 3.40 N ATOM 1736 CA ALA A 109 4.269 -2.859 5.452 1.00 32.51 C ATOM 1737 C ALA A 109 4.946 -3.963 4.670 1.00 51.11 C ATOM 1738 O ALA A 109 6.109 -3.826 4.294 1.00 24.41 O ATOM 1739 CB ALA A 109 4.194 -1.567 4.638 1.00 12.12 C ATOM 0 H ALA A 109 6.044 -2.795 6.531 1.00 3.40 H new ATOM 0 HA ALA A 109 3.234 -3.109 5.685 1.00 32.51 H new ATOM 0 HB1 ALA A 109 3.606 -1.739 3.736 1.00 12.12 H new ATOM 0 HB2 ALA A 109 3.722 -0.787 5.236 1.00 12.12 H new ATOM 0 HB3 ALA A 109 5.200 -1.252 4.361 1.00 12.12 H new ATOM 1745 N VAL A 110 4.242 -5.066 4.454 1.00 64.12 N ATOM 1746 CA VAL A 110 4.669 -6.086 3.507 1.00 33.13 C ATOM 1747 C VAL A 110 4.335 -5.535 2.119 1.00 70.45 C ATOM 1748 O VAL A 110 3.150 -5.336 1.825 1.00 62.10 O ATOM 1749 CB VAL A 110 3.973 -7.413 3.847 1.00 42.02 C ATOM 1750 CG1 VAL A 110 4.106 -8.452 2.732 1.00 45.14 C ATOM 1751 CG2 VAL A 110 4.572 -7.950 5.146 1.00 34.02 C ATOM 0 H VAL A 110 3.364 -5.278 4.928 1.00 64.12 H new ATOM 0 HA VAL A 110 5.736 -6.304 3.546 1.00 33.13 H new ATOM 0 HB VAL A 110 2.906 -7.222 3.961 1.00 42.02 H new ATOM 0 HG11 VAL A 110 3.596 -9.369 3.027 1.00 45.14 H new ATOM 0 HG12 VAL A 110 3.657 -8.064 1.818 1.00 45.14 H new ATOM 0 HG13 VAL A 110 5.161 -8.664 2.556 1.00 45.14 H new ATOM 0 HG21 VAL A 110 4.091 -8.893 5.406 1.00 34.02 H new ATOM 0 HG22 VAL A 110 5.642 -8.112 5.014 1.00 34.02 H new ATOM 0 HG23 VAL A 110 4.411 -7.228 5.947 1.00 34.02 H new ATOM 1761 N VAL A 111 5.338 -5.269 1.277 1.00 4.41 N ATOM 1762 CA VAL A 111 5.110 -4.600 -0.002 1.00 62.14 C ATOM 1763 C VAL A 111 5.335 -5.571 -1.161 1.00 35.33 C ATOM 1764 O VAL A 111 6.016 -6.583 -0.981 1.00 64.22 O ATOM 1765 CB VAL A 111 5.913 -3.276 -0.090 1.00 51.21 C ATOM 1766 CG1 VAL A 111 5.856 -2.418 1.186 1.00 41.42 C ATOM 1767 CG2 VAL A 111 7.384 -3.466 -0.426 1.00 42.42 C ATOM 0 H VAL A 111 6.313 -5.507 1.460 1.00 4.41 H new ATOM 0 HA VAL A 111 4.066 -4.296 -0.079 1.00 62.14 H new ATOM 0 HB VAL A 111 5.407 -2.760 -0.906 1.00 51.21 H new ATOM 0 HG11 VAL A 111 6.443 -1.511 1.041 1.00 41.42 H new ATOM 0 HG12 VAL A 111 4.821 -2.150 1.399 1.00 41.42 H new ATOM 0 HG13 VAL A 111 6.264 -2.984 2.024 1.00 41.42 H new ATOM 0 HG21 VAL A 111 7.876 -2.494 -0.469 1.00 42.42 H new ATOM 0 HG22 VAL A 111 7.857 -4.078 0.342 1.00 42.42 H new ATOM 0 HG23 VAL A 111 7.475 -3.962 -1.392 1.00 42.42 H new ATOM 1777 N SER A 112 4.755 -5.294 -2.335 1.00 2.23 N ATOM 1778 CA SER A 112 4.795 -6.206 -3.471 1.00 4.33 C ATOM 1779 C SER A 112 5.383 -5.552 -4.724 1.00 13.44 C ATOM 1780 O SER A 112 5.476 -4.323 -4.825 1.00 10.41 O ATOM 1781 CB SER A 112 3.409 -6.817 -3.727 1.00 43.22 C ATOM 1782 OG SER A 112 2.467 -5.860 -4.182 1.00 15.22 O ATOM 0 H SER A 112 4.246 -4.429 -2.518 1.00 2.23 H new ATOM 0 HA SER A 112 5.473 -7.020 -3.215 1.00 4.33 H new ATOM 0 HB2 SER A 112 3.498 -7.614 -4.466 1.00 43.22 H new ATOM 0 HB3 SER A 112 3.042 -7.274 -2.808 1.00 43.22 H new ATOM 0 HG SER A 112 1.655 -6.318 -4.483 1.00 15.22 H new ATOM 1788 N VAL A 113 5.726 -6.394 -5.699 1.00 3.04 N ATOM 1789 CA VAL A 113 6.159 -6.069 -7.057 1.00 74.35 C ATOM 1790 C VAL A 113 5.527 -7.075 -8.029 1.00 61.42 C ATOM 1791 O VAL A 113 4.915 -8.055 -7.587 1.00 2.14 O ATOM 1792 CB VAL A 113 7.696 -6.132 -7.174 1.00 13.24 C ATOM 1793 CG1 VAL A 113 8.407 -5.033 -6.363 1.00 14.13 C ATOM 1794 CG2 VAL A 113 8.216 -7.524 -6.791 1.00 30.23 C ATOM 0 H VAL A 113 5.706 -7.402 -5.546 1.00 3.04 H new ATOM 0 HA VAL A 113 5.841 -5.055 -7.300 1.00 74.35 H new ATOM 0 HB VAL A 113 7.936 -5.945 -8.221 1.00 13.24 H new ATOM 0 HG11 VAL A 113 9.486 -5.130 -6.486 1.00 14.13 H new ATOM 0 HG12 VAL A 113 8.088 -4.054 -6.720 1.00 14.13 H new ATOM 0 HG13 VAL A 113 8.151 -5.136 -5.308 1.00 14.13 H new ATOM 0 HG21 VAL A 113 9.302 -7.544 -6.881 1.00 30.23 H new ATOM 0 HG22 VAL A 113 7.933 -7.748 -5.762 1.00 30.23 H new ATOM 0 HG23 VAL A 113 7.783 -8.270 -7.457 1.00 30.23 H new ATOM 1804 N SER A 114 5.745 -6.894 -9.339 1.00 24.32 N ATOM 1805 CA SER A 114 5.473 -7.942 -10.310 1.00 50.45 C ATOM 1806 C SER A 114 6.375 -9.171 -10.112 1.00 24.10 C ATOM 1807 O SER A 114 5.872 -10.245 -9.785 1.00 63.52 O ATOM 1808 CB SER A 114 5.518 -7.429 -11.758 1.00 5.23 C ATOM 1809 OG SER A 114 4.517 -6.461 -12.027 1.00 64.21 O ATOM 0 H SER A 114 6.108 -6.030 -9.742 1.00 24.32 H new ATOM 0 HA SER A 114 4.449 -8.267 -10.124 1.00 50.45 H new ATOM 0 HB2 SER A 114 6.499 -6.996 -11.955 1.00 5.23 H new ATOM 0 HB3 SER A 114 5.397 -8.270 -12.441 1.00 5.23 H new ATOM 0 HG SER A 114 4.589 -6.166 -12.959 1.00 64.21 H new ATOM 1815 N SER A 115 7.683 -9.065 -10.359 1.00 34.30 N ATOM 1816 CA SER A 115 8.542 -10.241 -10.470 1.00 33.34 C ATOM 1817 C SER A 115 9.128 -10.636 -9.114 1.00 21.31 C ATOM 1818 O SER A 115 9.575 -9.744 -8.395 1.00 4.12 O ATOM 1819 CB SER A 115 9.710 -9.928 -11.409 1.00 3.45 C ATOM 1820 OG SER A 115 9.254 -9.725 -12.729 1.00 23.34 O ATOM 0 H SER A 115 8.168 -8.177 -10.485 1.00 34.30 H new ATOM 0 HA SER A 115 7.933 -11.061 -10.851 1.00 33.34 H new ATOM 0 HB2 SER A 115 10.234 -9.038 -11.060 1.00 3.45 H new ATOM 0 HB3 SER A 115 10.427 -10.748 -11.390 1.00 3.45 H new ATOM 0 HG SER A 115 10.016 -9.525 -13.311 1.00 23.34 H new ATOM 1826 N PRO A 116 9.317 -11.939 -8.818 1.00 25.11 N ATOM 1827 CA PRO A 116 10.140 -12.366 -7.684 1.00 40.54 C ATOM 1828 C PRO A 116 11.556 -11.797 -7.809 1.00 33.34 C ATOM 1829 O PRO A 116 12.235 -11.510 -6.829 1.00 1.11 O ATOM 1830 CB PRO A 116 10.110 -13.895 -7.694 1.00 2.02 C ATOM 1831 CG PRO A 116 9.834 -14.238 -9.151 1.00 44.40 C ATOM 1832 CD PRO A 116 8.947 -13.090 -9.628 1.00 53.35 C ATOM 0 HA PRO A 116 9.761 -11.994 -6.732 1.00 40.54 H new ATOM 0 HB2 PRO A 116 11.056 -14.317 -7.355 1.00 2.02 H new ATOM 0 HB3 PRO A 116 9.333 -14.285 -7.036 1.00 2.02 H new ATOM 0 HG2 PRO A 116 10.756 -14.300 -9.730 1.00 44.40 H new ATOM 0 HG3 PRO A 116 9.331 -15.200 -9.248 1.00 44.40 H new ATOM 0 HD2 PRO A 116 9.104 -12.889 -10.688 1.00 53.35 H new ATOM 0 HD3 PRO A 116 7.892 -13.333 -9.503 1.00 53.35 H new ATOM 1840 N ASP A 117 11.991 -11.545 -9.034 1.00 65.51 N ATOM 1841 CA ASP A 117 13.314 -11.044 -9.335 1.00 22.21 C ATOM 1842 C ASP A 117 13.560 -9.595 -8.911 1.00 62.41 C ATOM 1843 O ASP A 117 14.707 -9.161 -8.930 1.00 51.31 O ATOM 1844 CB ASP A 117 13.483 -11.188 -10.846 1.00 50.02 C ATOM 1845 CG ASP A 117 14.935 -11.188 -11.283 1.00 61.55 C ATOM 1846 OD1 ASP A 117 15.489 -12.309 -11.352 1.00 12.20 O ATOM 1847 OD2 ASP A 117 15.461 -10.123 -11.679 1.00 0.54 O ATOM 0 H ASP A 117 11.416 -11.688 -9.864 1.00 65.51 H new ATOM 0 HA ASP A 117 14.043 -11.618 -8.764 1.00 22.21 H new ATOM 0 HB2 ASP A 117 13.011 -12.115 -11.172 1.00 50.02 H new ATOM 0 HB3 ASP A 117 12.960 -10.372 -11.344 1.00 50.02 H new ATOM 1852 N ALA A 118 12.530 -8.850 -8.501 1.00 33.03 N ATOM 1853 CA ALA A 118 12.683 -7.503 -7.949 1.00 41.02 C ATOM 1854 C ALA A 118 12.631 -7.495 -6.413 1.00 13.50 C ATOM 1855 O ALA A 118 12.928 -6.475 -5.795 1.00 3.33 O ATOM 1856 CB ALA A 118 11.622 -6.589 -8.578 1.00 11.45 C ATOM 0 H ALA A 118 11.561 -9.167 -8.543 1.00 33.03 H new ATOM 0 HA ALA A 118 13.672 -7.122 -8.202 1.00 41.02 H new ATOM 0 HB1 ALA A 118 11.725 -5.581 -8.175 1.00 11.45 H new ATOM 0 HB2 ALA A 118 11.759 -6.563 -9.659 1.00 11.45 H new ATOM 0 HB3 ALA A 118 10.628 -6.973 -8.347 1.00 11.45 H new ATOM 1862 N VAL A 119 12.268 -8.618 -5.792 1.00 22.05 N ATOM 1863 CA VAL A 119 12.008 -8.744 -4.361 1.00 14.31 C ATOM 1864 C VAL A 119 13.295 -8.548 -3.572 1.00 42.11 C ATOM 1865 O VAL A 119 13.370 -7.691 -2.696 1.00 50.31 O ATOM 1866 CB VAL A 119 11.360 -10.120 -4.107 1.00 4.12 C ATOM 1867 CG1 VAL A 119 11.056 -10.395 -2.628 1.00 62.34 C ATOM 1868 CG2 VAL A 119 10.016 -10.210 -4.831 1.00 61.54 C ATOM 0 H VAL A 119 12.143 -9.498 -6.293 1.00 22.05 H new ATOM 0 HA VAL A 119 11.319 -7.971 -4.022 1.00 14.31 H new ATOM 0 HB VAL A 119 12.089 -10.846 -4.468 1.00 4.12 H new ATOM 0 HG11 VAL A 119 10.602 -11.381 -2.527 1.00 62.34 H new ATOM 0 HG12 VAL A 119 11.982 -10.362 -2.054 1.00 62.34 H new ATOM 0 HG13 VAL A 119 10.368 -9.638 -2.251 1.00 62.34 H new ATOM 0 HG21 VAL A 119 9.567 -11.186 -4.645 1.00 61.54 H new ATOM 0 HG22 VAL A 119 9.351 -9.429 -4.463 1.00 61.54 H new ATOM 0 HG23 VAL A 119 10.170 -10.080 -5.902 1.00 61.54 H new ATOM 1878 N THR A 120 14.321 -9.327 -3.891 1.00 22.42 N ATOM 1879 CA THR A 120 15.621 -9.244 -3.245 1.00 75.45 C ATOM 1880 C THR A 120 16.313 -7.905 -3.518 1.00 62.21 C ATOM 1881 O THR A 120 16.961 -7.369 -2.613 1.00 61.23 O ATOM 1882 CB THR A 120 16.402 -10.491 -3.667 1.00 41.44 C ATOM 1883 OG1 THR A 120 15.866 -11.565 -2.916 1.00 65.30 O ATOM 1884 CG2 THR A 120 17.913 -10.379 -3.512 1.00 23.13 C ATOM 0 H THR A 120 14.271 -10.043 -4.616 1.00 22.42 H new ATOM 0 HA THR A 120 15.539 -9.247 -2.158 1.00 75.45 H new ATOM 0 HB THR A 120 16.280 -10.644 -4.739 1.00 41.44 H new ATOM 0 HG1 THR A 120 16.333 -12.394 -3.151 1.00 65.30 H new ATOM 0 HG21 THR A 120 18.382 -11.309 -3.835 1.00 23.13 H new ATOM 0 HG22 THR A 120 18.281 -9.555 -4.123 1.00 23.13 H new ATOM 0 HG23 THR A 120 18.159 -10.193 -2.466 1.00 23.13 H new ATOM 1892 N THR A 121 16.133 -7.340 -4.714 1.00 12.34 N ATOM 1893 CA THR A 121 16.633 -6.022 -5.071 1.00 31.44 C ATOM 1894 C THR A 121 16.061 -4.981 -4.093 1.00 54.35 C ATOM 1895 O THR A 121 16.819 -4.283 -3.414 1.00 42.30 O ATOM 1896 CB THR A 121 16.260 -5.728 -6.540 1.00 33.24 C ATOM 1897 OG1 THR A 121 16.282 -6.891 -7.355 1.00 5.54 O ATOM 1898 CG2 THR A 121 17.198 -4.704 -7.162 1.00 24.14 C ATOM 0 H THR A 121 15.626 -7.799 -5.471 1.00 12.34 H new ATOM 0 HA THR A 121 17.719 -5.977 -4.991 1.00 31.44 H new ATOM 0 HB THR A 121 15.243 -5.337 -6.504 1.00 33.24 H new ATOM 0 HG1 THR A 121 16.037 -6.652 -8.273 1.00 5.54 H new ATOM 0 HG21 THR A 121 16.904 -4.523 -8.196 1.00 24.14 H new ATOM 0 HG22 THR A 121 17.143 -3.772 -6.600 1.00 24.14 H new ATOM 0 HG23 THR A 121 18.220 -5.083 -7.136 1.00 24.14 H new ATOM 1906 N TYR A 122 14.724 -4.920 -3.988 1.00 23.33 N ATOM 1907 CA TYR A 122 13.998 -4.049 -3.072 1.00 23.15 C ATOM 1908 C TYR A 122 14.483 -4.302 -1.645 1.00 33.10 C ATOM 1909 O TYR A 122 14.913 -3.363 -0.978 1.00 74.12 O ATOM 1910 CB TYR A 122 12.480 -4.270 -3.240 1.00 24.43 C ATOM 1911 CG TYR A 122 11.543 -3.232 -2.620 1.00 23.10 C ATOM 1912 CD1 TYR A 122 11.774 -2.660 -1.352 1.00 22.22 C ATOM 1913 CD2 TYR A 122 10.392 -2.837 -3.331 1.00 31.13 C ATOM 1914 CE1 TYR A 122 10.964 -1.621 -0.872 1.00 31.34 C ATOM 1915 CE2 TYR A 122 9.585 -1.783 -2.870 1.00 31.03 C ATOM 1916 CZ TYR A 122 9.897 -1.141 -1.651 1.00 44.23 C ATOM 1917 OH TYR A 122 9.176 -0.073 -1.218 1.00 70.31 O ATOM 0 H TYR A 122 14.106 -5.497 -4.559 1.00 23.33 H new ATOM 0 HA TYR A 122 14.193 -3.001 -3.299 1.00 23.15 H new ATOM 0 HB2 TYR A 122 12.264 -4.324 -4.307 1.00 24.43 H new ATOM 0 HB3 TYR A 122 12.233 -5.243 -2.815 1.00 24.43 H new ATOM 0 HD1 TYR A 122 12.586 -3.027 -0.742 1.00 22.22 H new ATOM 0 HD2 TYR A 122 10.127 -3.351 -4.243 1.00 31.13 H new ATOM 0 HE1 TYR A 122 11.160 -1.189 0.098 1.00 31.34 H new ATOM 0 HE2 TYR A 122 8.729 -1.465 -3.446 1.00 31.03 H new ATOM 0 HH TYR A 122 9.366 0.702 -1.787 1.00 70.31 H new ATOM 1927 N ASN A 123 14.440 -5.555 -1.180 1.00 22.31 N ATOM 1928 CA ASN A 123 14.755 -5.924 0.208 1.00 51.42 C ATOM 1929 C ASN A 123 16.139 -5.422 0.622 1.00 13.43 C ATOM 1930 O ASN A 123 16.317 -5.074 1.789 1.00 22.42 O ATOM 1931 CB ASN A 123 14.670 -7.449 0.456 1.00 74.33 C ATOM 1932 CG ASN A 123 13.279 -7.943 0.854 1.00 45.05 C ATOM 1933 OD1 ASN A 123 12.591 -7.309 1.651 1.00 32.31 O ATOM 1934 ND2 ASN A 123 12.807 -9.061 0.326 1.00 55.24 N ATOM 0 H ASN A 123 14.183 -6.352 -1.762 1.00 22.31 H new ATOM 0 HA ASN A 123 13.995 -5.439 0.821 1.00 51.42 H new ATOM 0 HB2 ASN A 123 14.984 -7.971 -0.448 1.00 74.33 H new ATOM 0 HB3 ASN A 123 15.377 -7.718 1.241 1.00 74.33 H new ATOM 0 HD21 ASN A 123 11.877 -9.392 0.581 1.00 55.24 H new ATOM 0 HD22 ASN A 123 13.374 -9.591 -0.336 1.00 55.24 H new ATOM 1941 N GLY A 124 17.100 -5.333 -0.303 1.00 31.25 N ATOM 1942 CA GLY A 124 18.417 -4.787 -0.012 1.00 72.25 C ATOM 1943 C GLY A 124 18.393 -3.263 0.099 1.00 43.10 C ATOM 1944 O GLY A 124 19.040 -2.714 0.987 1.00 52.14 O ATOM 0 H GLY A 124 16.981 -5.638 -1.269 1.00 31.25 H new ATOM 0 HA2 GLY A 124 18.788 -5.213 0.920 1.00 72.25 H new ATOM 0 HA3 GLY A 124 19.113 -5.082 -0.797 1.00 72.25 H new ATOM 1948 N TYR A 125 17.632 -2.557 -0.745 1.00 73.43 N ATOM 1949 CA TYR A 125 17.577 -1.092 -0.727 1.00 60.42 C ATOM 1950 C TYR A 125 17.005 -0.510 0.579 1.00 63.42 C ATOM 1951 O TYR A 125 17.143 0.694 0.813 1.00 22.32 O ATOM 1952 CB TYR A 125 16.743 -0.567 -1.911 1.00 21.43 C ATOM 1953 CG TYR A 125 17.264 -0.800 -3.324 1.00 4.24 C ATOM 1954 CD1 TYR A 125 18.610 -0.546 -3.645 1.00 13.42 C ATOM 1955 CD2 TYR A 125 16.372 -1.148 -4.357 1.00 14.52 C ATOM 1956 CE1 TYR A 125 19.063 -0.648 -4.972 1.00 10.31 C ATOM 1957 CE2 TYR A 125 16.829 -1.277 -5.683 1.00 33.33 C ATOM 1958 CZ TYR A 125 18.180 -1.028 -5.997 1.00 51.40 C ATOM 1959 OH TYR A 125 18.594 -1.094 -7.294 1.00 43.52 O ATOM 0 H TYR A 125 17.039 -2.984 -1.457 1.00 73.43 H new ATOM 0 HA TYR A 125 18.612 -0.760 -0.806 1.00 60.42 H new ATOM 0 HB2 TYR A 125 15.752 -1.016 -1.844 1.00 21.43 H new ATOM 0 HB3 TYR A 125 16.616 0.507 -1.777 1.00 21.43 H new ATOM 0 HD1 TYR A 125 19.303 -0.270 -2.864 1.00 13.42 H new ATOM 0 HD2 TYR A 125 15.330 -1.317 -4.131 1.00 14.52 H new ATOM 0 HE1 TYR A 125 20.095 -0.433 -5.205 1.00 10.31 H new ATOM 0 HE2 TYR A 125 16.141 -1.568 -6.463 1.00 33.33 H new ATOM 0 HH TYR A 125 17.847 -1.376 -7.862 1.00 43.52 H new ATOM 1969 N LEU A 126 16.384 -1.332 1.432 1.00 54.24 N ATOM 1970 CA LEU A 126 15.968 -0.967 2.789 1.00 2.35 C ATOM 1971 C LEU A 126 17.183 -0.525 3.602 1.00 62.00 C ATOM 1972 O LEU A 126 17.143 0.502 4.282 1.00 21.03 O ATOM 1973 CB LEU A 126 15.336 -2.179 3.505 1.00 33.44 C ATOM 1974 CG LEU A 126 13.845 -2.485 3.255 1.00 22.54 C ATOM 1975 CD1 LEU A 126 12.959 -1.836 4.316 1.00 33.40 C ATOM 1976 CD2 LEU A 126 13.315 -2.050 1.893 1.00 53.11 C ATOM 0 H LEU A 126 16.151 -2.295 1.190 1.00 54.24 H new ATOM 0 HA LEU A 126 15.241 -0.158 2.713 1.00 2.35 H new ATOM 0 HB2 LEU A 126 15.908 -3.064 3.226 1.00 33.44 H new ATOM 0 HB3 LEU A 126 15.470 -2.038 4.577 1.00 33.44 H new ATOM 0 HG LEU A 126 13.798 -3.573 3.299 1.00 22.54 H new ATOM 0 HD11 LEU A 126 11.915 -2.071 4.111 1.00 33.40 H new ATOM 0 HD12 LEU A 126 13.230 -2.218 5.300 1.00 33.40 H new ATOM 0 HD13 LEU A 126 13.099 -0.755 4.295 1.00 33.40 H new ATOM 0 HD21 LEU A 126 12.259 -2.309 1.814 1.00 53.11 H new ATOM 0 HD22 LEU A 126 13.434 -0.972 1.784 1.00 53.11 H new ATOM 0 HD23 LEU A 126 13.873 -2.558 1.106 1.00 53.11 H new ATOM 1988 N THR A 127 18.238 -1.337 3.583 1.00 44.34 N ATOM 1989 CA THR A 127 19.448 -1.172 4.364 1.00 44.04 C ATOM 1990 C THR A 127 20.474 -2.104 3.715 1.00 30.45 C ATOM 1991 O THR A 127 20.233 -3.311 3.599 1.00 52.32 O ATOM 1992 CB THR A 127 19.167 -1.443 5.863 1.00 32.33 C ATOM 1993 OG1 THR A 127 20.226 -0.954 6.663 1.00 72.30 O ATOM 1994 CG2 THR A 127 18.861 -2.895 6.258 1.00 42.32 C ATOM 0 H THR A 127 18.267 -2.167 2.991 1.00 44.34 H new ATOM 0 HA THR A 127 19.840 -0.155 4.358 1.00 44.04 H new ATOM 0 HB THR A 127 18.238 -0.903 6.047 1.00 32.33 H new ATOM 0 HG1 THR A 127 20.032 -1.132 7.607 1.00 72.30 H new ATOM 0 HG21 THR A 127 18.683 -2.950 7.332 1.00 42.32 H new ATOM 0 HG22 THR A 127 17.974 -3.238 5.725 1.00 42.32 H new ATOM 0 HG23 THR A 127 19.708 -3.529 5.998 1.00 42.32 H new ATOM 2002 N SER A 128 21.573 -1.540 3.222 1.00 43.33 N ATOM 2003 CA SER A 128 22.556 -2.259 2.440 1.00 42.43 C ATOM 2004 C SER A 128 23.930 -1.984 3.033 1.00 22.33 C ATOM 2005 O SER A 128 24.296 -0.832 3.307 1.00 64.02 O ATOM 2006 CB SER A 128 22.378 -1.840 0.979 1.00 75.23 C ATOM 2007 OG SER A 128 23.120 -2.615 0.058 1.00 2.31 O ATOM 0 H SER A 128 21.803 -0.556 3.360 1.00 43.33 H new ATOM 0 HA SER A 128 22.434 -3.342 2.468 1.00 42.43 H new ATOM 0 HB2 SER A 128 21.321 -1.903 0.721 1.00 75.23 H new ATOM 0 HB3 SER A 128 22.669 -0.795 0.875 1.00 75.23 H new ATOM 0 HG SER A 128 22.954 -2.290 -0.851 1.00 2.31 H new ATOM 2013 N SER A 129 24.654 -3.073 3.270 1.00 63.31 N ATOM 2014 CA SER A 129 25.990 -3.172 3.810 1.00 12.45 C ATOM 2015 C SER A 129 26.514 -4.561 3.455 1.00 54.32 C ATOM 2016 O SER A 129 25.704 -5.377 2.954 1.00 62.35 O ATOM 2017 CB SER A 129 25.943 -2.938 5.324 1.00 75.11 C ATOM 2018 OG SER A 129 24.864 -3.624 5.959 1.00 1.14 O ATOM 0 H SER A 129 24.274 -3.997 3.065 1.00 63.31 H new ATOM 0 HA SER A 129 26.659 -2.419 3.393 1.00 12.45 H new ATOM 0 HB2 SER A 129 26.884 -3.264 5.766 1.00 75.11 H new ATOM 0 HB3 SER A 129 25.852 -1.869 5.519 1.00 75.11 H new ATOM 0 HG SER A 129 24.882 -3.442 6.922 1.00 1.14 H new TER 2024 SER A 129