USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1051 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 106 SER OG : rot -75:sc= 2.15 USER MOD Set 1.2: A 110 THR OG1 : rot 68:sc= 1.16 USER MOD Set 2.1: A 84 THR OG1 : rot 1:sc= 0.396 USER MOD Set 2.2: A 108 ASN : amide:sc= 0.607 K(o=1,f=-1.5!) USER MOD Set 3.1: A 65 GLN : amide:sc= 0.585 K(o=0.13,f=-0.47) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= -0.45 USER MOD Set 4.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= 0.115 USER MOD Set 5.1: A 1 MET CE :methyl -130:sc= 0 (180deg=0) USER MOD Set 5.2: A 5 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0513 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.15) USER MOD Single : A 15 THR OG1 : rot -37:sc= 0.105 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 162:sc= -0.069 (180deg=-0.461) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 44:sc= 0.206 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.7) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 1.12 (180deg=1.09) USER MOD Single : A 56 ASN : amide:sc= -0.859 K(o=-0.86,f=-9!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 73 HIS : no HD1:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 76 SER OG : rot -3:sc= 0.906 USER MOD Single : A 86 SER OG : rot 130:sc= 0.965 USER MOD Single : A 89 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.015) USER MOD Single : A 95 ASN : amide:sc= -0.0179 K(o=-0.018,f=-2.1) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.19 K(o=1.2,f=-0.058) USER MOD Single : A 118 ASN : amide:sc= 1.19 K(o=1.2,f=-0.075) USER MOD Single : A 120 GLN : amide:sc= 0.0932 K(o=0.093,f=-2.9!) USER MOD Single : A 122 MET CE :methyl 178:sc= -0.57 (180deg=-0.583) USER MOD Single : A 123 GLN : amide:sc= -0.854 X(o=-0.85,f=-0.54) USER MOD Single : A 124 THR OG1 : rot 40:sc= 0.187 USER MOD Single : A 129 GLN : amide:sc= 1.47 K(o=1.5,f=-3.3!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -65.001 -10.023 -31.489 1.00 11.00 N ATOM 2 CA MET A 1 -63.674 -9.601 -31.938 1.00 43.05 C ATOM 3 C MET A 1 -62.606 -10.524 -31.391 1.00 32.24 C ATOM 4 O MET A 1 -62.096 -10.334 -30.293 1.00 54.44 O ATOM 5 CB MET A 1 -63.388 -8.113 -31.611 1.00 31.14 C ATOM 6 CG MET A 1 -63.613 -7.713 -30.156 1.00 33.35 C ATOM 7 SD MET A 1 -63.211 -5.986 -29.838 1.00 73.42 S ATOM 8 CE MET A 1 -63.618 -5.870 -28.094 1.00 31.35 C ATOM 0 H1 MET A 1 -65.720 -9.378 -31.875 1.00 11.00 H new ATOM 0 H2 MET A 1 -65.189 -10.990 -31.823 1.00 11.00 H new ATOM 0 H3 MET A 1 -65.039 -10.002 -30.450 1.00 11.00 H new ATOM 0 HA MET A 1 -63.653 -9.677 -33.025 1.00 43.05 H new ATOM 0 HB2 MET A 1 -62.354 -7.891 -31.876 1.00 31.14 H new ATOM 0 HB3 MET A 1 -64.020 -7.490 -32.244 1.00 31.14 H new ATOM 0 HG2 MET A 1 -64.655 -7.894 -29.891 1.00 33.35 H new ATOM 0 HG3 MET A 1 -63.005 -8.348 -29.511 1.00 33.35 H new ATOM 0 HE1 MET A 1 -64.260 -5.005 -27.927 1.00 31.35 H new ATOM 0 HE2 MET A 1 -64.140 -6.774 -27.781 1.00 31.35 H new ATOM 0 HE3 MET A 1 -62.702 -5.760 -27.513 1.00 31.35 H new ATOM 20 N SER A 2 -62.305 -11.548 -32.141 1.00 33.22 N ATOM 21 CA SER A 2 -61.354 -12.528 -31.738 1.00 61.34 C ATOM 22 C SER A 2 -59.927 -11.982 -31.820 1.00 42.31 C ATOM 23 O SER A 2 -59.075 -12.304 -30.980 1.00 44.34 O ATOM 24 CB SER A 2 -61.553 -13.774 -32.592 1.00 30.13 C ATOM 25 OG SER A 2 -61.667 -13.420 -33.972 1.00 15.31 O ATOM 0 H SER A 2 -62.721 -11.721 -33.056 1.00 33.22 H new ATOM 0 HA SER A 2 -61.510 -12.793 -30.692 1.00 61.34 H new ATOM 0 HB2 SER A 2 -60.714 -14.456 -32.453 1.00 30.13 H new ATOM 0 HB3 SER A 2 -62.450 -14.303 -32.271 1.00 30.13 H new ATOM 0 HG SER A 2 -61.793 -14.231 -34.508 1.00 15.31 H new ATOM 31 N ASP A 3 -59.685 -11.143 -32.803 1.00 65.53 N ATOM 32 CA ASP A 3 -58.383 -10.528 -32.987 1.00 73.20 C ATOM 33 C ASP A 3 -58.361 -9.202 -32.284 1.00 24.40 C ATOM 34 O ASP A 3 -59.419 -8.595 -32.072 1.00 1.11 O ATOM 35 CB ASP A 3 -58.045 -10.307 -34.475 1.00 71.44 C ATOM 36 CG ASP A 3 -57.841 -11.578 -35.258 1.00 44.14 C ATOM 37 OD1 ASP A 3 -56.716 -12.103 -35.278 1.00 70.43 O ATOM 38 OD2 ASP A 3 -58.803 -12.071 -35.887 1.00 40.40 O ATOM 0 H ASP A 3 -60.380 -10.867 -33.496 1.00 65.53 H new ATOM 0 HA ASP A 3 -57.638 -11.206 -32.571 1.00 73.20 H new ATOM 0 HB2 ASP A 3 -58.849 -9.734 -34.937 1.00 71.44 H new ATOM 0 HB3 ASP A 3 -57.141 -9.702 -34.545 1.00 71.44 H new ATOM 43 N ASN A 4 -57.171 -8.786 -31.868 1.00 21.04 N ATOM 44 CA ASN A 4 -56.903 -7.477 -31.223 1.00 44.31 C ATOM 45 C ASN A 4 -57.415 -7.381 -29.787 1.00 33.52 C ATOM 46 O ASN A 4 -56.796 -6.740 -28.939 1.00 43.31 O ATOM 47 CB ASN A 4 -57.380 -6.282 -32.076 1.00 23.45 C ATOM 48 CG ASN A 4 -56.622 -6.157 -33.387 1.00 54.12 C ATOM 49 OD1 ASN A 4 -57.010 -6.739 -34.407 1.00 21.54 O ATOM 50 ND2 ASN A 4 -55.540 -5.414 -33.380 1.00 23.24 N ATOM 0 H ASN A 4 -56.331 -9.357 -31.967 1.00 21.04 H new ATOM 0 HA ASN A 4 -55.816 -7.417 -31.161 1.00 44.31 H new ATOM 0 HB2 ASN A 4 -58.444 -6.392 -32.285 1.00 23.45 H new ATOM 0 HB3 ASN A 4 -57.261 -5.362 -31.503 1.00 23.45 H new ATOM 0 HD21 ASN A 4 -54.992 -5.303 -34.233 1.00 23.24 H new ATOM 0 HD22 ASN A 4 -55.247 -4.947 -32.522 1.00 23.24 H new ATOM 57 N ASN A 5 -58.526 -8.015 -29.510 1.00 12.01 N ATOM 58 CA ASN A 5 -59.098 -8.039 -28.164 1.00 30.11 C ATOM 59 C ASN A 5 -58.323 -8.993 -27.254 1.00 30.31 C ATOM 60 O ASN A 5 -58.298 -8.831 -26.032 1.00 30.04 O ATOM 61 CB ASN A 5 -60.591 -8.412 -28.223 1.00 33.02 C ATOM 62 CG ASN A 5 -61.229 -8.652 -26.857 1.00 62.33 C ATOM 63 OD1 ASN A 5 -61.687 -7.722 -26.193 1.00 42.44 O ATOM 64 ND2 ASN A 5 -61.309 -9.895 -26.456 1.00 72.53 N ATOM 0 H ASN A 5 -59.068 -8.532 -30.202 1.00 12.01 H new ATOM 0 HA ASN A 5 -59.014 -7.040 -27.737 1.00 30.11 H new ATOM 0 HB2 ASN A 5 -61.134 -7.614 -28.730 1.00 33.02 H new ATOM 0 HB3 ASN A 5 -60.706 -9.311 -28.829 1.00 33.02 H new ATOM 0 HD21 ASN A 5 -61.761 -10.117 -25.569 1.00 72.53 H new ATOM 0 HD22 ASN A 5 -60.919 -10.642 -27.030 1.00 72.53 H new ATOM 71 N GLY A 6 -57.649 -9.945 -27.853 1.00 3.40 N ATOM 72 CA GLY A 6 -56.902 -10.912 -27.093 1.00 45.11 C ATOM 73 C GLY A 6 -55.433 -10.562 -27.036 1.00 31.24 C ATOM 74 O GLY A 6 -54.578 -11.438 -26.911 1.00 43.44 O ATOM 0 H GLY A 6 -57.604 -10.069 -28.864 1.00 3.40 H new ATOM 0 HA2 GLY A 6 -57.303 -10.968 -26.081 1.00 45.11 H new ATOM 0 HA3 GLY A 6 -57.024 -11.899 -27.539 1.00 45.11 H new ATOM 78 N THR A 7 -55.134 -9.294 -27.175 1.00 12.43 N ATOM 79 CA THR A 7 -53.782 -8.825 -27.092 1.00 45.32 C ATOM 80 C THR A 7 -53.448 -8.535 -25.628 1.00 15.35 C ATOM 81 O THR A 7 -54.185 -7.791 -24.958 1.00 3.02 O ATOM 82 CB THR A 7 -53.629 -7.524 -27.919 1.00 22.33 C ATOM 83 OG1 THR A 7 -54.043 -7.768 -29.275 1.00 64.11 O ATOM 84 CG2 THR A 7 -52.187 -7.015 -27.914 1.00 13.33 C ATOM 0 H THR A 7 -55.823 -8.563 -27.349 1.00 12.43 H new ATOM 0 HA THR A 7 -53.106 -9.583 -27.487 1.00 45.32 H new ATOM 0 HB THR A 7 -54.257 -6.760 -27.461 1.00 22.33 H new ATOM 0 HG1 THR A 7 -53.948 -6.945 -29.799 1.00 64.11 H new ATOM 0 HG21 THR A 7 -52.122 -6.101 -28.505 1.00 13.33 H new ATOM 0 HG22 THR A 7 -51.878 -6.808 -26.890 1.00 13.33 H new ATOM 0 HG23 THR A 7 -51.532 -7.773 -28.344 1.00 13.33 H new ATOM 92 N PRO A 8 -52.392 -9.159 -25.082 1.00 72.25 N ATOM 93 CA PRO A 8 -51.944 -8.860 -23.738 1.00 35.21 C ATOM 94 C PRO A 8 -51.363 -7.449 -23.671 1.00 75.21 C ATOM 95 O PRO A 8 -50.468 -7.094 -24.462 1.00 34.44 O ATOM 96 CB PRO A 8 -50.855 -9.908 -23.468 1.00 72.33 C ATOM 97 CG PRO A 8 -50.379 -10.325 -24.816 1.00 34.25 C ATOM 98 CD PRO A 8 -51.558 -10.194 -25.736 1.00 4.12 C ATOM 0 HA PRO A 8 -52.751 -8.896 -23.006 1.00 35.21 H new ATOM 0 HB2 PRO A 8 -50.042 -9.489 -22.875 1.00 72.33 H new ATOM 0 HB3 PRO A 8 -51.253 -10.756 -22.910 1.00 72.33 H new ATOM 0 HG2 PRO A 8 -49.554 -9.696 -25.149 1.00 34.25 H new ATOM 0 HG3 PRO A 8 -50.011 -11.351 -24.799 1.00 34.25 H new ATOM 0 HD2 PRO A 8 -51.254 -9.891 -26.738 1.00 4.12 H new ATOM 0 HD3 PRO A 8 -52.095 -11.137 -25.838 1.00 4.12 H new ATOM 106 N GLU A 9 -51.830 -6.653 -22.761 1.00 70.31 N ATOM 107 CA GLU A 9 -51.288 -5.338 -22.620 1.00 50.42 C ATOM 108 C GLU A 9 -50.322 -5.330 -21.447 1.00 11.00 C ATOM 109 O GLU A 9 -50.591 -5.973 -20.424 1.00 74.03 O ATOM 110 CB GLU A 9 -52.389 -4.286 -22.464 1.00 74.23 C ATOM 111 CG GLU A 9 -53.295 -4.480 -21.272 1.00 0.21 C ATOM 112 CD GLU A 9 -54.298 -3.381 -21.165 1.00 41.34 C ATOM 113 OE1 GLU A 9 -53.919 -2.257 -20.769 1.00 73.45 O ATOM 114 OE2 GLU A 9 -55.488 -3.614 -21.461 1.00 2.45 O ATOM 0 H GLU A 9 -52.579 -6.887 -22.110 1.00 70.31 H new ATOM 0 HA GLU A 9 -50.746 -5.072 -23.528 1.00 50.42 H new ATOM 0 HB2 GLU A 9 -51.923 -3.303 -22.391 1.00 74.23 H new ATOM 0 HB3 GLU A 9 -52.999 -4.284 -23.368 1.00 74.23 H new ATOM 0 HG2 GLU A 9 -53.810 -5.437 -21.356 1.00 0.21 H new ATOM 0 HG3 GLU A 9 -52.697 -4.519 -20.361 1.00 0.21 H new ATOM 121 N PRO A 10 -49.180 -4.656 -21.563 1.00 14.24 N ATOM 122 CA PRO A 10 -48.194 -4.644 -20.512 1.00 51.43 C ATOM 123 C PRO A 10 -48.619 -3.745 -19.367 1.00 51.21 C ATOM 124 O PRO A 10 -48.812 -2.531 -19.547 1.00 31.33 O ATOM 125 CB PRO A 10 -46.923 -4.095 -21.180 1.00 73.13 C ATOM 126 CG PRO A 10 -47.270 -3.860 -22.616 1.00 55.14 C ATOM 127 CD PRO A 10 -48.765 -3.820 -22.698 1.00 55.32 C ATOM 0 HA PRO A 10 -48.049 -5.635 -20.082 1.00 51.43 H new ATOM 0 HB2 PRO A 10 -46.601 -3.170 -20.702 1.00 73.13 H new ATOM 0 HB3 PRO A 10 -46.100 -4.804 -21.090 1.00 73.13 H new ATOM 0 HG2 PRO A 10 -46.838 -2.924 -22.970 1.00 55.14 H new ATOM 0 HG3 PRO A 10 -46.869 -4.654 -23.246 1.00 55.14 H new ATOM 0 HD2 PRO A 10 -49.147 -2.803 -22.611 1.00 55.32 H new ATOM 0 HD3 PRO A 10 -49.128 -4.217 -23.646 1.00 55.32 H new ATOM 135 N GLN A 11 -48.789 -4.332 -18.205 1.00 64.12 N ATOM 136 CA GLN A 11 -49.147 -3.590 -17.029 1.00 43.24 C ATOM 137 C GLN A 11 -47.922 -2.873 -16.509 1.00 23.31 C ATOM 138 O GLN A 11 -46.812 -3.104 -17.008 1.00 71.40 O ATOM 139 CB GLN A 11 -49.755 -4.496 -15.955 1.00 30.31 C ATOM 140 CG GLN A 11 -51.089 -5.126 -16.348 1.00 12.20 C ATOM 141 CD GLN A 11 -52.178 -4.101 -16.620 1.00 2.44 C ATOM 142 OE1 GLN A 11 -52.903 -3.695 -15.712 1.00 15.12 O ATOM 143 NE2 GLN A 11 -52.334 -3.711 -17.860 1.00 3.52 N ATOM 0 H GLN A 11 -48.682 -5.335 -18.053 1.00 64.12 H new ATOM 0 HA GLN A 11 -49.911 -2.858 -17.290 1.00 43.24 H new ATOM 0 HB2 GLN A 11 -49.046 -5.290 -15.722 1.00 30.31 H new ATOM 0 HB3 GLN A 11 -49.895 -3.916 -15.043 1.00 30.31 H new ATOM 0 HG2 GLN A 11 -50.946 -5.739 -17.238 1.00 12.20 H new ATOM 0 HG3 GLN A 11 -51.417 -5.793 -15.551 1.00 12.20 H new ATOM 0 HE21 GLN A 11 -51.715 -4.067 -18.588 1.00 3.52 H new ATOM 0 HE22 GLN A 11 -53.074 -3.051 -18.098 1.00 3.52 H new ATOM 152 N VAL A 12 -48.115 -2.048 -15.508 1.00 45.01 N ATOM 153 CA VAL A 12 -47.081 -1.184 -14.976 1.00 34.45 C ATOM 154 C VAL A 12 -46.629 -0.237 -16.091 1.00 14.53 C ATOM 155 O VAL A 12 -45.649 -0.496 -16.818 1.00 0.30 O ATOM 156 CB VAL A 12 -45.869 -1.964 -14.380 1.00 64.22 C ATOM 157 CG1 VAL A 12 -44.851 -1.020 -13.752 1.00 23.05 C ATOM 158 CG2 VAL A 12 -46.324 -3.001 -13.362 1.00 32.40 C ATOM 0 H VAL A 12 -49.011 -1.954 -15.029 1.00 45.01 H new ATOM 0 HA VAL A 12 -47.501 -0.624 -14.140 1.00 34.45 H new ATOM 0 HB VAL A 12 -45.386 -2.484 -15.207 1.00 64.22 H new ATOM 0 HG11 VAL A 12 -44.020 -1.598 -13.347 1.00 23.05 H new ATOM 0 HG12 VAL A 12 -44.478 -0.331 -14.510 1.00 23.05 H new ATOM 0 HG13 VAL A 12 -45.325 -0.455 -12.950 1.00 23.05 H new ATOM 0 HG21 VAL A 12 -45.456 -3.527 -12.966 1.00 32.40 H new ATOM 0 HG22 VAL A 12 -46.851 -2.504 -12.547 1.00 32.40 H new ATOM 0 HG23 VAL A 12 -46.992 -3.715 -13.844 1.00 32.40 H new ATOM 168 N GLU A 13 -47.399 0.806 -16.287 1.00 60.33 N ATOM 169 CA GLU A 13 -47.137 1.727 -17.349 1.00 34.42 C ATOM 170 C GLU A 13 -45.959 2.596 -17.000 1.00 73.44 C ATOM 171 O GLU A 13 -45.848 3.106 -15.872 1.00 10.55 O ATOM 172 CB GLU A 13 -48.389 2.542 -17.714 1.00 31.43 C ATOM 173 CG GLU A 13 -48.912 3.463 -16.626 1.00 31.10 C ATOM 174 CD GLU A 13 -50.232 4.084 -16.997 1.00 40.25 C ATOM 175 OE1 GLU A 13 -50.256 5.007 -17.836 1.00 33.41 O ATOM 176 OE2 GLU A 13 -51.286 3.657 -16.450 1.00 73.12 O ATOM 0 H GLU A 13 -48.215 1.033 -15.718 1.00 60.33 H new ATOM 0 HA GLU A 13 -46.876 1.164 -18.245 1.00 34.42 H new ATOM 0 HB2 GLU A 13 -48.166 3.142 -18.597 1.00 31.43 H new ATOM 0 HB3 GLU A 13 -49.183 1.849 -17.992 1.00 31.43 H new ATOM 0 HG2 GLU A 13 -49.024 2.901 -15.699 1.00 31.10 H new ATOM 0 HG3 GLU A 13 -48.182 4.250 -16.436 1.00 31.10 H new ATOM 183 N THR A 14 -45.066 2.719 -17.915 1.00 22.44 N ATOM 184 CA THR A 14 -43.896 3.470 -17.700 1.00 2.54 C ATOM 185 C THR A 14 -43.770 4.546 -18.778 1.00 65.02 C ATOM 186 O THR A 14 -43.595 4.258 -19.971 1.00 71.33 O ATOM 187 CB THR A 14 -42.624 2.540 -17.603 1.00 64.34 C ATOM 188 OG1 THR A 14 -41.445 3.303 -17.312 1.00 10.11 O ATOM 189 CG2 THR A 14 -42.405 1.702 -18.870 1.00 64.32 C ATOM 0 H THR A 14 -45.133 2.295 -18.840 1.00 22.44 H new ATOM 0 HA THR A 14 -43.964 3.976 -16.737 1.00 2.54 H new ATOM 0 HB THR A 14 -42.815 1.849 -16.782 1.00 64.34 H new ATOM 0 HG1 THR A 14 -40.672 2.703 -17.256 1.00 10.11 H new ATOM 0 HG21 THR A 14 -41.517 1.082 -18.747 1.00 64.32 H new ATOM 0 HG22 THR A 14 -43.273 1.064 -19.039 1.00 64.32 H new ATOM 0 HG23 THR A 14 -42.270 2.364 -19.725 1.00 64.32 H new ATOM 197 N THR A 15 -43.975 5.770 -18.374 1.00 12.54 N ATOM 198 CA THR A 15 -43.806 6.877 -19.268 1.00 63.43 C ATOM 199 C THR A 15 -42.606 7.696 -18.798 1.00 64.22 C ATOM 200 O THR A 15 -42.134 8.613 -19.466 1.00 65.13 O ATOM 201 CB THR A 15 -45.101 7.738 -19.380 1.00 20.44 C ATOM 202 OG1 THR A 15 -44.966 8.719 -20.406 1.00 11.04 O ATOM 203 CG2 THR A 15 -45.426 8.433 -18.071 1.00 64.32 C ATOM 0 H THR A 15 -44.260 6.024 -17.428 1.00 12.54 H new ATOM 0 HA THR A 15 -43.615 6.507 -20.275 1.00 63.43 H new ATOM 0 HB THR A 15 -45.916 7.057 -19.626 1.00 20.44 H new ATOM 0 HG1 THR A 15 -44.048 9.062 -20.412 1.00 11.04 H new ATOM 0 HG21 THR A 15 -46.335 9.023 -18.188 1.00 64.32 H new ATOM 0 HG22 THR A 15 -45.576 7.687 -17.290 1.00 64.32 H new ATOM 0 HG23 THR A 15 -44.601 9.089 -17.792 1.00 64.32 H new ATOM 211 N SER A 16 -42.069 7.276 -17.690 1.00 22.23 N ATOM 212 CA SER A 16 -40.928 7.874 -17.061 1.00 53.52 C ATOM 213 C SER A 16 -39.660 7.177 -17.555 1.00 62.34 C ATOM 214 O SER A 16 -38.669 7.028 -16.831 1.00 75.44 O ATOM 215 CB SER A 16 -41.122 7.685 -15.576 1.00 15.30 C ATOM 216 OG SER A 16 -41.640 6.377 -15.324 1.00 23.14 O ATOM 0 H SER A 16 -42.431 6.472 -17.178 1.00 22.23 H new ATOM 0 HA SER A 16 -40.827 8.933 -17.297 1.00 53.52 H new ATOM 0 HB2 SER A 16 -40.174 7.818 -15.055 1.00 15.30 H new ATOM 0 HB3 SER A 16 -41.807 8.439 -15.189 1.00 15.30 H new ATOM 0 HG SER A 16 -41.764 6.254 -14.360 1.00 23.14 H new ATOM 222 N VAL A 17 -39.700 6.808 -18.820 1.00 60.13 N ATOM 223 CA VAL A 17 -38.653 6.089 -19.470 1.00 50.43 C ATOM 224 C VAL A 17 -37.430 6.961 -19.670 1.00 51.02 C ATOM 225 O VAL A 17 -37.502 8.204 -19.659 1.00 12.02 O ATOM 226 CB VAL A 17 -39.119 5.508 -20.843 1.00 52.35 C ATOM 227 CG1 VAL A 17 -40.273 4.542 -20.656 1.00 41.15 C ATOM 228 CG2 VAL A 17 -39.517 6.619 -21.813 1.00 74.15 C ATOM 0 H VAL A 17 -40.491 7.012 -19.431 1.00 60.13 H new ATOM 0 HA VAL A 17 -38.388 5.257 -18.817 1.00 50.43 H new ATOM 0 HB VAL A 17 -38.275 4.968 -21.272 1.00 52.35 H new ATOM 0 HG11 VAL A 17 -40.580 4.150 -21.626 1.00 41.15 H new ATOM 0 HG12 VAL A 17 -39.958 3.718 -20.015 1.00 41.15 H new ATOM 0 HG13 VAL A 17 -41.111 5.062 -20.192 1.00 41.15 H new ATOM 0 HG21 VAL A 17 -39.836 6.180 -22.758 1.00 74.15 H new ATOM 0 HG22 VAL A 17 -40.337 7.198 -21.387 1.00 74.15 H new ATOM 0 HG23 VAL A 17 -38.663 7.273 -21.987 1.00 74.15 H new ATOM 238 N PHE A 18 -36.346 6.314 -19.840 1.00 41.40 N ATOM 239 CA PHE A 18 -35.076 6.926 -20.068 1.00 4.21 C ATOM 240 C PHE A 18 -34.412 6.158 -21.177 1.00 34.11 C ATOM 241 O PHE A 18 -34.913 5.101 -21.566 1.00 22.00 O ATOM 242 CB PHE A 18 -34.218 6.911 -18.774 1.00 43.45 C ATOM 243 CG PHE A 18 -34.017 5.541 -18.152 1.00 64.41 C ATOM 244 CD1 PHE A 18 -34.917 5.051 -17.218 1.00 63.42 C ATOM 245 CD2 PHE A 18 -32.930 4.754 -18.500 1.00 25.52 C ATOM 246 CE1 PHE A 18 -34.737 3.807 -16.648 1.00 4.32 C ATOM 247 CE2 PHE A 18 -32.745 3.510 -17.932 1.00 54.34 C ATOM 248 CZ PHE A 18 -33.651 3.036 -17.006 1.00 15.34 C ATOM 0 H PHE A 18 -36.305 5.295 -19.826 1.00 41.40 H new ATOM 0 HA PHE A 18 -35.192 7.973 -20.350 1.00 4.21 H new ATOM 0 HB2 PHE A 18 -33.241 7.338 -18.999 1.00 43.45 H new ATOM 0 HB3 PHE A 18 -34.688 7.562 -18.037 1.00 43.45 H new ATOM 0 HD1 PHE A 18 -35.769 5.650 -16.933 1.00 63.42 H new ATOM 0 HD2 PHE A 18 -32.218 5.119 -19.225 1.00 25.52 H new ATOM 0 HE1 PHE A 18 -35.446 3.438 -15.922 1.00 4.32 H new ATOM 0 HE2 PHE A 18 -31.893 2.909 -18.212 1.00 54.34 H new ATOM 0 HZ PHE A 18 -33.510 2.062 -16.562 1.00 15.34 H new ATOM 258 N ARG A 19 -33.322 6.650 -21.680 1.00 51.31 N ATOM 259 CA ARG A 19 -32.620 5.968 -22.735 1.00 21.34 C ATOM 260 C ARG A 19 -31.837 4.834 -22.159 1.00 63.13 C ATOM 261 O ARG A 19 -31.124 5.005 -21.172 1.00 0.11 O ATOM 262 CB ARG A 19 -31.675 6.893 -23.517 1.00 2.03 C ATOM 263 CG ARG A 19 -32.342 7.847 -24.506 1.00 44.25 C ATOM 264 CD ARG A 19 -33.205 8.904 -23.847 1.00 54.44 C ATOM 265 NE ARG A 19 -33.798 9.783 -24.850 1.00 54.51 N ATOM 266 CZ ARG A 19 -34.017 11.092 -24.712 1.00 45.14 C ATOM 267 NH1 ARG A 19 -33.767 11.702 -23.554 1.00 5.51 N ATOM 268 NH2 ARG A 19 -34.505 11.782 -25.738 1.00 44.42 N ATOM 0 H ARG A 19 -32.894 7.525 -21.379 1.00 51.31 H new ATOM 0 HA ARG A 19 -33.370 5.603 -23.437 1.00 21.34 H new ATOM 0 HB2 ARG A 19 -31.102 7.484 -22.802 1.00 2.03 H new ATOM 0 HB3 ARG A 19 -30.962 6.275 -24.063 1.00 2.03 H new ATOM 0 HG2 ARG A 19 -31.571 8.339 -25.099 1.00 44.25 H new ATOM 0 HG3 ARG A 19 -32.956 7.269 -25.197 1.00 44.25 H new ATOM 0 HD2 ARG A 19 -33.992 8.426 -23.263 1.00 54.44 H new ATOM 0 HD3 ARG A 19 -32.604 9.490 -23.152 1.00 54.44 H new ATOM 0 HE ARG A 19 -34.070 9.358 -25.737 1.00 54.51 H new ATOM 0 HH11 ARG A 19 -33.405 11.168 -22.764 1.00 5.51 H new ATOM 0 HH12 ARG A 19 -33.937 12.703 -23.458 1.00 5.51 H new ATOM 0 HH21 ARG A 19 -34.708 11.310 -26.619 1.00 44.42 H new ATOM 0 HH22 ARG A 19 -34.676 12.783 -25.644 1.00 44.42 H new ATOM 282 N ALA A 20 -31.987 3.684 -22.732 1.00 71.52 N ATOM 283 CA ALA A 20 -31.228 2.553 -22.310 1.00 12.23 C ATOM 284 C ALA A 20 -29.853 2.661 -22.930 1.00 14.22 C ATOM 285 O ALA A 20 -29.669 2.369 -24.119 1.00 45.11 O ATOM 286 CB ALA A 20 -31.914 1.251 -22.708 1.00 52.32 C ATOM 0 H ALA A 20 -32.634 3.503 -23.500 1.00 71.52 H new ATOM 0 HA ALA A 20 -31.146 2.541 -21.223 1.00 12.23 H new ATOM 0 HB1 ALA A 20 -31.313 0.406 -22.373 1.00 52.32 H new ATOM 0 HB2 ALA A 20 -32.899 1.202 -22.244 1.00 52.32 H new ATOM 0 HB3 ALA A 20 -32.022 1.213 -23.792 1.00 52.32 H new ATOM 292 N ASP A 21 -28.917 3.172 -22.169 1.00 20.10 N ATOM 293 CA ASP A 21 -27.555 3.342 -22.643 1.00 32.51 C ATOM 294 C ASP A 21 -26.826 2.040 -22.527 1.00 60.31 C ATOM 295 O ASP A 21 -25.841 1.803 -23.230 1.00 34.21 O ATOM 296 CB ASP A 21 -26.792 4.407 -21.843 1.00 42.22 C ATOM 297 CG ASP A 21 -27.364 5.804 -21.934 1.00 74.32 C ATOM 298 OD1 ASP A 21 -27.367 6.409 -23.037 1.00 31.55 O ATOM 299 OD2 ASP A 21 -27.807 6.339 -20.891 1.00 32.33 O ATOM 0 H ASP A 21 -29.070 3.482 -21.209 1.00 20.10 H new ATOM 0 HA ASP A 21 -27.607 3.671 -23.681 1.00 32.51 H new ATOM 0 HB2 ASP A 21 -26.770 4.107 -20.795 1.00 42.22 H new ATOM 0 HB3 ASP A 21 -25.759 4.430 -22.190 1.00 42.22 H new ATOM 304 N LEU A 22 -27.349 1.201 -21.648 1.00 55.12 N ATOM 305 CA LEU A 22 -26.837 -0.111 -21.323 1.00 61.53 C ATOM 306 C LEU A 22 -25.574 -0.013 -20.497 1.00 13.35 C ATOM 307 O LEU A 22 -24.460 0.072 -21.023 1.00 73.21 O ATOM 308 CB LEU A 22 -26.648 -1.017 -22.559 1.00 74.34 C ATOM 309 CG LEU A 22 -26.148 -2.439 -22.283 1.00 74.00 C ATOM 310 CD1 LEU A 22 -27.159 -3.222 -21.458 1.00 12.55 C ATOM 311 CD2 LEU A 22 -25.848 -3.153 -23.582 1.00 1.32 C ATOM 0 H LEU A 22 -28.187 1.434 -21.116 1.00 55.12 H new ATOM 0 HA LEU A 22 -27.600 -0.599 -20.717 1.00 61.53 H new ATOM 0 HB2 LEU A 22 -27.601 -1.084 -23.084 1.00 74.34 H new ATOM 0 HB3 LEU A 22 -25.945 -0.532 -23.236 1.00 74.34 H new ATOM 0 HG LEU A 22 -25.226 -2.371 -21.705 1.00 74.00 H new ATOM 0 HD11 LEU A 22 -26.780 -4.228 -21.276 1.00 12.55 H new ATOM 0 HD12 LEU A 22 -27.320 -2.717 -20.505 1.00 12.55 H new ATOM 0 HD13 LEU A 22 -28.102 -3.283 -22.001 1.00 12.55 H new ATOM 0 HD21 LEU A 22 -25.494 -4.162 -23.369 1.00 1.32 H new ATOM 0 HD22 LEU A 22 -26.754 -3.206 -24.186 1.00 1.32 H new ATOM 0 HD23 LEU A 22 -25.080 -2.606 -24.129 1.00 1.32 H new ATOM 323 N LEU A 23 -25.762 0.055 -19.210 1.00 24.34 N ATOM 324 CA LEU A 23 -24.662 0.059 -18.282 1.00 65.43 C ATOM 325 C LEU A 23 -24.308 -1.383 -17.983 1.00 24.42 C ATOM 326 O LEU A 23 -25.172 -2.172 -17.597 1.00 15.55 O ATOM 327 CB LEU A 23 -24.990 0.843 -16.972 1.00 2.10 C ATOM 328 CG LEU A 23 -26.082 0.282 -16.013 1.00 22.11 C ATOM 329 CD1 LEU A 23 -26.084 1.056 -14.716 1.00 51.42 C ATOM 330 CD2 LEU A 23 -27.475 0.338 -16.632 1.00 4.45 C ATOM 0 H LEU A 23 -26.682 0.109 -18.772 1.00 24.34 H new ATOM 0 HA LEU A 23 -23.814 0.577 -18.730 1.00 65.43 H new ATOM 0 HB2 LEU A 23 -24.065 0.934 -16.402 1.00 2.10 H new ATOM 0 HB3 LEU A 23 -25.289 1.852 -17.257 1.00 2.10 H new ATOM 0 HG LEU A 23 -25.836 -0.763 -15.826 1.00 22.11 H new ATOM 0 HD11 LEU A 23 -26.851 0.655 -14.054 1.00 51.42 H new ATOM 0 HD12 LEU A 23 -25.109 0.966 -14.237 1.00 51.42 H new ATOM 0 HD13 LEU A 23 -26.293 2.106 -14.919 1.00 51.42 H new ATOM 0 HD21 LEU A 23 -28.203 -0.064 -15.927 1.00 4.45 H new ATOM 0 HD22 LEU A 23 -27.728 1.372 -16.865 1.00 4.45 H new ATOM 0 HD23 LEU A 23 -27.491 -0.255 -17.547 1.00 4.45 H new ATOM 342 N LYS A 24 -23.083 -1.751 -18.200 1.00 33.00 N ATOM 343 CA LYS A 24 -22.692 -3.120 -18.004 1.00 44.21 C ATOM 344 C LYS A 24 -21.986 -3.310 -16.682 1.00 13.21 C ATOM 345 O LYS A 24 -20.864 -2.823 -16.484 1.00 41.24 O ATOM 346 CB LYS A 24 -21.839 -3.622 -19.166 1.00 24.44 C ATOM 347 CG LYS A 24 -22.568 -3.598 -20.508 1.00 13.40 C ATOM 348 CD LYS A 24 -21.777 -4.307 -21.598 1.00 32.45 C ATOM 349 CE LYS A 24 -21.645 -5.799 -21.304 1.00 71.14 C ATOM 350 NZ LYS A 24 -20.929 -6.510 -22.370 1.00 60.22 N ATOM 0 H LYS A 24 -22.337 -1.129 -18.511 1.00 33.00 H new ATOM 0 HA LYS A 24 -23.601 -3.720 -17.977 1.00 44.21 H new ATOM 0 HB2 LYS A 24 -20.940 -3.010 -19.238 1.00 24.44 H new ATOM 0 HB3 LYS A 24 -21.515 -4.641 -18.955 1.00 24.44 H new ATOM 0 HG2 LYS A 24 -23.543 -4.073 -20.400 1.00 13.40 H new ATOM 0 HG3 LYS A 24 -22.748 -2.565 -20.804 1.00 13.40 H new ATOM 0 HD2 LYS A 24 -22.271 -4.166 -22.559 1.00 32.45 H new ATOM 0 HD3 LYS A 24 -20.786 -3.861 -21.680 1.00 32.45 H new ATOM 0 HE2 LYS A 24 -21.118 -5.937 -20.360 1.00 71.14 H new ATOM 0 HE3 LYS A 24 -22.637 -6.233 -21.182 1.00 71.14 H new ATOM 0 HZ1 LYS A 24 -20.862 -7.520 -22.130 1.00 60.22 H new ATOM 0 HZ2 LYS A 24 -21.444 -6.401 -23.267 1.00 60.22 H new ATOM 0 HZ3 LYS A 24 -19.973 -6.114 -22.470 1.00 60.22 H new ATOM 364 N GLU A 25 -22.648 -3.984 -15.776 1.00 30.44 N ATOM 365 CA GLU A 25 -22.111 -4.264 -14.461 1.00 74.45 C ATOM 366 C GLU A 25 -21.130 -5.422 -14.536 1.00 44.15 C ATOM 367 O GLU A 25 -21.293 -6.326 -15.369 1.00 43.43 O ATOM 368 CB GLU A 25 -23.247 -4.573 -13.496 1.00 53.42 C ATOM 369 CG GLU A 25 -24.204 -3.406 -13.280 1.00 1.43 C ATOM 370 CD GLU A 25 -23.553 -2.236 -12.573 1.00 72.50 C ATOM 371 OE1 GLU A 25 -22.875 -1.429 -13.215 1.00 42.45 O ATOM 372 OE2 GLU A 25 -23.715 -2.109 -11.333 1.00 72.31 O ATOM 0 H GLU A 25 -23.584 -4.359 -15.928 1.00 30.44 H new ATOM 0 HA GLU A 25 -21.576 -3.388 -14.094 1.00 74.45 H new ATOM 0 HB2 GLU A 25 -23.809 -5.427 -13.873 1.00 53.42 H new ATOM 0 HB3 GLU A 25 -22.825 -4.868 -12.535 1.00 53.42 H new ATOM 0 HG2 GLU A 25 -24.588 -3.074 -14.245 1.00 1.43 H new ATOM 0 HG3 GLU A 25 -25.059 -3.747 -12.697 1.00 1.43 H new ATOM 379 N MET A 26 -20.114 -5.394 -13.694 1.00 60.03 N ATOM 380 CA MET A 26 -19.066 -6.407 -13.695 1.00 45.13 C ATOM 381 C MET A 26 -18.250 -6.273 -12.422 1.00 33.55 C ATOM 382 O MET A 26 -18.539 -5.408 -11.594 1.00 0.32 O ATOM 383 CB MET A 26 -18.145 -6.241 -14.927 1.00 65.11 C ATOM 384 CG MET A 26 -17.359 -4.931 -14.960 1.00 42.30 C ATOM 385 SD MET A 26 -16.330 -4.765 -16.431 1.00 23.51 S ATOM 386 CE MET A 26 -17.576 -4.647 -17.718 1.00 21.21 C ATOM 0 H MET A 26 -19.989 -4.669 -12.988 1.00 60.03 H new ATOM 0 HA MET A 26 -19.525 -7.395 -13.743 1.00 45.13 H new ATOM 0 HB2 MET A 26 -17.441 -7.073 -14.953 1.00 65.11 H new ATOM 0 HB3 MET A 26 -18.752 -6.309 -15.830 1.00 65.11 H new ATOM 0 HG2 MET A 26 -18.056 -4.094 -14.914 1.00 42.30 H new ATOM 0 HG3 MET A 26 -16.728 -4.869 -14.073 1.00 42.30 H new ATOM 0 HE1 MET A 26 -17.129 -4.228 -18.620 1.00 21.21 H new ATOM 0 HE2 MET A 26 -17.970 -5.640 -17.935 1.00 21.21 H new ATOM 0 HE3 MET A 26 -18.387 -4.001 -17.381 1.00 21.21 H new ATOM 396 N GLU A 27 -17.249 -7.106 -12.271 1.00 35.12 N ATOM 397 CA GLU A 27 -16.362 -7.064 -11.132 1.00 43.11 C ATOM 398 C GLU A 27 -14.950 -7.406 -11.610 1.00 52.43 C ATOM 399 O GLU A 27 -14.790 -8.093 -12.616 1.00 4.22 O ATOM 400 CB GLU A 27 -16.850 -8.036 -10.034 1.00 53.11 C ATOM 401 CG GLU A 27 -15.964 -8.113 -8.791 1.00 10.11 C ATOM 402 CD GLU A 27 -15.727 -6.769 -8.133 1.00 23.24 C ATOM 403 OE1 GLU A 27 -14.813 -6.028 -8.568 1.00 22.21 O ATOM 404 OE2 GLU A 27 -16.417 -6.446 -7.153 1.00 63.42 O ATOM 0 H GLU A 27 -17.024 -7.840 -12.942 1.00 35.12 H new ATOM 0 HA GLU A 27 -16.354 -6.068 -10.690 1.00 43.11 H new ATOM 0 HB2 GLU A 27 -17.853 -7.738 -9.728 1.00 53.11 H new ATOM 0 HB3 GLU A 27 -16.931 -9.034 -10.465 1.00 53.11 H new ATOM 0 HG2 GLU A 27 -16.424 -8.786 -8.068 1.00 10.11 H new ATOM 0 HG3 GLU A 27 -15.003 -8.548 -9.066 1.00 10.11 H new ATOM 411 N SER A 28 -13.962 -6.909 -10.922 1.00 12.11 N ATOM 412 CA SER A 28 -12.588 -7.135 -11.273 1.00 21.42 C ATOM 413 C SER A 28 -11.783 -7.535 -10.022 1.00 64.22 C ATOM 414 O SER A 28 -10.825 -8.316 -10.110 1.00 21.43 O ATOM 415 CB SER A 28 -12.001 -5.874 -11.940 1.00 50.25 C ATOM 416 OG SER A 28 -10.693 -6.102 -12.451 1.00 21.34 O ATOM 0 H SER A 28 -14.089 -6.329 -10.092 1.00 12.11 H new ATOM 0 HA SER A 28 -12.526 -7.955 -11.989 1.00 21.42 H new ATOM 0 HB2 SER A 28 -12.656 -5.554 -12.750 1.00 50.25 H new ATOM 0 HB3 SER A 28 -11.970 -5.061 -11.215 1.00 50.25 H new ATOM 0 HG SER A 28 -10.356 -5.281 -12.867 1.00 21.34 H new ATOM 422 N SER A 29 -12.185 -7.045 -8.866 1.00 30.40 N ATOM 423 CA SER A 29 -11.478 -7.340 -7.648 1.00 41.21 C ATOM 424 C SER A 29 -12.026 -8.611 -7.019 1.00 22.41 C ATOM 425 O SER A 29 -13.244 -8.848 -7.040 1.00 3.10 O ATOM 426 CB SER A 29 -11.609 -6.172 -6.682 1.00 42.41 C ATOM 427 OG SER A 29 -11.127 -4.979 -7.272 1.00 54.12 O ATOM 0 H SER A 29 -12.999 -6.441 -8.750 1.00 30.40 H new ATOM 0 HA SER A 29 -10.423 -7.494 -7.875 1.00 41.21 H new ATOM 0 HB2 SER A 29 -12.653 -6.046 -6.395 1.00 42.41 H new ATOM 0 HB3 SER A 29 -11.051 -6.384 -5.770 1.00 42.41 H new ATOM 0 HG SER A 29 -11.221 -4.239 -6.637 1.00 54.12 H new ATOM 433 N THR A 30 -11.145 -9.424 -6.490 1.00 5.45 N ATOM 434 CA THR A 30 -11.511 -10.654 -5.838 1.00 1.21 C ATOM 435 C THR A 30 -12.275 -10.379 -4.536 1.00 52.32 C ATOM 436 O THR A 30 -11.688 -9.928 -3.547 1.00 72.50 O ATOM 437 CB THR A 30 -10.254 -11.488 -5.557 1.00 13.24 C ATOM 438 OG1 THR A 30 -9.246 -10.637 -4.973 1.00 34.43 O ATOM 439 CG2 THR A 30 -9.722 -12.111 -6.840 1.00 30.53 C ATOM 0 H THR A 30 -10.141 -9.246 -6.501 1.00 5.45 H new ATOM 0 HA THR A 30 -12.170 -11.215 -6.501 1.00 1.21 H new ATOM 0 HB THR A 30 -10.508 -12.292 -4.867 1.00 13.24 H new ATOM 0 HG1 THR A 30 -9.656 -10.063 -4.293 1.00 34.43 H new ATOM 0 HG21 THR A 30 -8.831 -12.698 -6.617 1.00 30.53 H new ATOM 0 HG22 THR A 30 -10.484 -12.759 -7.273 1.00 30.53 H new ATOM 0 HG23 THR A 30 -9.470 -11.323 -7.550 1.00 30.53 H new ATOM 447 N GLY A 31 -13.567 -10.621 -4.548 1.00 11.23 N ATOM 448 CA GLY A 31 -14.373 -10.327 -3.405 1.00 51.22 C ATOM 449 C GLY A 31 -15.344 -11.416 -3.076 1.00 34.24 C ATOM 450 O GLY A 31 -16.541 -11.170 -2.932 1.00 64.52 O ATOM 0 H GLY A 31 -14.073 -11.020 -5.339 1.00 11.23 H new ATOM 0 HA2 GLY A 31 -13.725 -10.154 -2.546 1.00 51.22 H new ATOM 0 HA3 GLY A 31 -14.921 -9.401 -3.582 1.00 51.22 H new ATOM 454 N THR A 32 -14.855 -12.614 -2.974 1.00 10.14 N ATOM 455 CA THR A 32 -15.677 -13.697 -2.543 1.00 34.00 C ATOM 456 C THR A 32 -15.641 -13.687 -1.018 1.00 34.13 C ATOM 457 O THR A 32 -14.574 -13.417 -0.434 1.00 31.14 O ATOM 458 CB THR A 32 -15.158 -15.044 -3.094 1.00 74.41 C ATOM 459 OG1 THR A 32 -15.052 -14.956 -4.527 1.00 62.14 O ATOM 460 CG2 THR A 32 -16.103 -16.185 -2.751 1.00 52.24 C ATOM 0 H THR A 32 -13.889 -12.864 -3.184 1.00 10.14 H new ATOM 0 HA THR A 32 -16.695 -13.582 -2.914 1.00 34.00 H new ATOM 0 HB THR A 32 -14.187 -15.245 -2.640 1.00 74.41 H new ATOM 0 HG1 THR A 32 -14.721 -15.807 -4.883 1.00 62.14 H new ATOM 0 HG21 THR A 32 -15.708 -17.118 -3.153 1.00 52.24 H new ATOM 0 HG22 THR A 32 -16.196 -16.267 -1.668 1.00 52.24 H new ATOM 0 HG23 THR A 32 -17.083 -15.989 -3.185 1.00 52.24 H new ATOM 468 N ALA A 33 -16.789 -13.920 -0.396 1.00 11.10 N ATOM 469 CA ALA A 33 -16.925 -13.888 1.049 1.00 33.23 C ATOM 470 C ALA A 33 -15.945 -14.863 1.699 1.00 44.45 C ATOM 471 O ALA A 33 -16.026 -16.080 1.469 1.00 31.35 O ATOM 472 CB ALA A 33 -18.355 -14.209 1.444 1.00 61.34 C ATOM 0 H ALA A 33 -17.657 -14.138 -0.886 1.00 11.10 H new ATOM 0 HA ALA A 33 -16.687 -12.886 1.405 1.00 33.23 H new ATOM 0 HB1 ALA A 33 -18.447 -14.183 2.530 1.00 61.34 H new ATOM 0 HB2 ALA A 33 -19.028 -13.473 1.005 1.00 61.34 H new ATOM 0 HB3 ALA A 33 -18.618 -15.203 1.082 1.00 61.34 H new ATOM 478 N PRO A 34 -14.992 -14.336 2.486 1.00 72.32 N ATOM 479 CA PRO A 34 -13.934 -15.134 3.084 1.00 12.24 C ATOM 480 C PRO A 34 -14.436 -16.161 4.075 1.00 1.23 C ATOM 481 O PRO A 34 -15.021 -15.826 5.118 1.00 64.33 O ATOM 482 CB PRO A 34 -13.034 -14.116 3.782 1.00 42.44 C ATOM 483 CG PRO A 34 -13.870 -12.896 3.959 1.00 62.14 C ATOM 484 CD PRO A 34 -14.877 -12.905 2.848 1.00 21.12 C ATOM 0 HA PRO A 34 -13.421 -15.719 2.320 1.00 12.24 H new ATOM 0 HB2 PRO A 34 -12.685 -14.495 4.743 1.00 42.44 H new ATOM 0 HB3 PRO A 34 -12.148 -13.901 3.184 1.00 42.44 H new ATOM 0 HG2 PRO A 34 -14.364 -12.902 4.931 1.00 62.14 H new ATOM 0 HG3 PRO A 34 -13.256 -11.996 3.919 1.00 62.14 H new ATOM 0 HD2 PRO A 34 -15.834 -12.496 3.172 1.00 21.12 H new ATOM 0 HD3 PRO A 34 -14.544 -12.304 2.002 1.00 21.12 H new ATOM 492 N ALA A 35 -14.229 -17.399 3.740 1.00 21.40 N ATOM 493 CA ALA A 35 -14.571 -18.488 4.605 1.00 40.13 C ATOM 494 C ALA A 35 -13.498 -18.584 5.668 1.00 74.55 C ATOM 495 O ALA A 35 -12.342 -18.913 5.359 1.00 11.52 O ATOM 496 CB ALA A 35 -14.685 -19.788 3.817 1.00 73.53 C ATOM 0 H ALA A 35 -13.815 -17.684 2.852 1.00 21.40 H new ATOM 0 HA ALA A 35 -15.541 -18.315 5.070 1.00 40.13 H new ATOM 0 HB1 ALA A 35 -14.945 -20.602 4.494 1.00 73.53 H new ATOM 0 HB2 ALA A 35 -15.460 -19.686 3.057 1.00 73.53 H new ATOM 0 HB3 ALA A 35 -13.732 -20.007 3.336 1.00 73.53 H new ATOM 502 N SER A 36 -13.873 -18.213 6.888 1.00 2.05 N ATOM 503 CA SER A 36 -12.990 -18.175 8.038 1.00 63.34 C ATOM 504 C SER A 36 -11.925 -17.078 7.883 1.00 54.02 C ATOM 505 O SER A 36 -10.931 -17.235 7.161 1.00 23.25 O ATOM 506 CB SER A 36 -12.368 -19.552 8.302 1.00 32.35 C ATOM 507 OG SER A 36 -13.392 -20.540 8.437 1.00 44.13 O ATOM 0 H SER A 36 -14.827 -17.923 7.105 1.00 2.05 H new ATOM 0 HA SER A 36 -13.585 -17.920 8.915 1.00 63.34 H new ATOM 0 HB2 SER A 36 -11.700 -19.820 7.483 1.00 32.35 H new ATOM 0 HB3 SER A 36 -11.764 -19.518 9.209 1.00 32.35 H new ATOM 0 HG SER A 36 -12.983 -21.415 8.603 1.00 44.13 H new ATOM 513 N THR A 37 -12.152 -15.955 8.526 1.00 2.34 N ATOM 514 CA THR A 37 -11.221 -14.866 8.470 1.00 25.15 C ATOM 515 C THR A 37 -10.069 -15.142 9.445 1.00 24.10 C ATOM 516 O THR A 37 -10.105 -14.736 10.608 1.00 23.31 O ATOM 517 CB THR A 37 -11.900 -13.513 8.802 1.00 20.42 C ATOM 518 OG1 THR A 37 -13.092 -13.362 7.994 1.00 71.12 O ATOM 519 CG2 THR A 37 -10.957 -12.346 8.514 1.00 0.22 C ATOM 0 H THR A 37 -12.980 -15.778 9.095 1.00 2.34 H new ATOM 0 HA THR A 37 -10.836 -14.790 7.453 1.00 25.15 H new ATOM 0 HB THR A 37 -12.156 -13.508 9.862 1.00 20.42 H new ATOM 0 HG1 THR A 37 -13.524 -12.508 8.204 1.00 71.12 H new ATOM 0 HG21 THR A 37 -11.456 -11.407 8.755 1.00 0.22 H new ATOM 0 HG22 THR A 37 -10.058 -12.446 9.123 1.00 0.22 H new ATOM 0 HG23 THR A 37 -10.683 -12.351 7.459 1.00 0.22 H new ATOM 527 N GLY A 38 -9.134 -15.941 8.999 1.00 74.31 N ATOM 528 CA GLY A 38 -7.995 -16.273 9.789 1.00 64.13 C ATOM 529 C GLY A 38 -6.807 -16.544 8.921 1.00 45.40 C ATOM 530 O GLY A 38 -6.617 -15.877 7.900 1.00 52.34 O ATOM 0 H GLY A 38 -9.148 -16.376 8.076 1.00 74.31 H new ATOM 0 HA2 GLY A 38 -7.771 -15.455 10.474 1.00 64.13 H new ATOM 0 HA3 GLY A 38 -8.213 -17.150 10.399 1.00 64.13 H new ATOM 534 N ALA A 39 -6.065 -17.564 9.269 1.00 1.23 N ATOM 535 CA ALA A 39 -4.824 -17.928 8.581 1.00 71.31 C ATOM 536 C ALA A 39 -5.056 -18.273 7.113 1.00 13.22 C ATOM 537 O ALA A 39 -4.216 -18.004 6.269 1.00 63.30 O ATOM 538 CB ALA A 39 -4.149 -19.084 9.295 1.00 30.44 C ATOM 0 H ALA A 39 -6.297 -18.182 10.047 1.00 1.23 H new ATOM 0 HA ALA A 39 -4.170 -17.056 8.607 1.00 71.31 H new ATOM 0 HB1 ALA A 39 -3.228 -19.345 8.774 1.00 30.44 H new ATOM 0 HB2 ALA A 39 -3.917 -18.793 10.319 1.00 30.44 H new ATOM 0 HB3 ALA A 39 -4.817 -19.945 9.305 1.00 30.44 H new ATOM 544 N GLU A 40 -6.202 -18.843 6.814 1.00 52.03 N ATOM 545 CA GLU A 40 -6.526 -19.208 5.448 1.00 1.13 C ATOM 546 C GLU A 40 -7.060 -18.032 4.644 1.00 74.01 C ATOM 547 O GLU A 40 -7.196 -18.115 3.425 1.00 34.23 O ATOM 548 CB GLU A 40 -7.473 -20.423 5.354 1.00 12.14 C ATOM 549 CG GLU A 40 -8.727 -20.381 6.229 1.00 3.33 C ATOM 550 CD GLU A 40 -8.423 -20.680 7.672 1.00 1.14 C ATOM 551 OE1 GLU A 40 -8.377 -21.881 8.036 1.00 24.20 O ATOM 552 OE2 GLU A 40 -8.189 -19.743 8.451 1.00 21.13 O ATOM 0 H GLU A 40 -6.927 -19.065 7.496 1.00 52.03 H new ATOM 0 HA GLU A 40 -5.580 -19.511 4.999 1.00 1.13 H new ATOM 0 HB2 GLU A 40 -7.785 -20.532 4.315 1.00 12.14 H new ATOM 0 HB3 GLU A 40 -6.907 -21.318 5.612 1.00 12.14 H new ATOM 0 HG2 GLU A 40 -9.188 -19.396 6.153 1.00 3.33 H new ATOM 0 HG3 GLU A 40 -9.453 -21.103 5.855 1.00 3.33 H new ATOM 559 N ASN A 41 -7.394 -16.960 5.322 1.00 31.43 N ATOM 560 CA ASN A 41 -7.844 -15.756 4.645 1.00 71.21 C ATOM 561 C ASN A 41 -6.623 -14.968 4.216 1.00 20.41 C ATOM 562 O ASN A 41 -6.517 -14.517 3.069 1.00 74.33 O ATOM 563 CB ASN A 41 -8.731 -14.891 5.558 1.00 54.40 C ATOM 564 CG ASN A 41 -9.321 -13.664 4.852 1.00 2.33 C ATOM 565 OD1 ASN A 41 -9.483 -12.609 5.456 1.00 33.35 O ATOM 566 ND2 ASN A 41 -9.706 -13.809 3.605 1.00 72.33 N ATOM 0 H ASN A 41 -7.365 -16.891 6.339 1.00 31.43 H new ATOM 0 HA ASN A 41 -8.445 -16.038 3.780 1.00 71.21 H new ATOM 0 HB2 ASN A 41 -9.545 -15.503 5.947 1.00 54.40 H new ATOM 0 HB3 ASN A 41 -8.144 -14.560 6.415 1.00 54.40 H new ATOM 0 HD21 ASN A 41 -10.152 -13.033 3.115 1.00 72.33 H new ATOM 0 HD22 ASN A 41 -9.559 -14.697 3.126 1.00 72.33 H new ATOM 573 N LEU A 42 -5.693 -14.849 5.142 1.00 42.32 N ATOM 574 CA LEU A 42 -4.456 -14.131 4.939 1.00 71.23 C ATOM 575 C LEU A 42 -3.506 -14.913 4.016 1.00 22.01 C ATOM 576 O LEU A 42 -3.646 -16.123 3.860 1.00 30.13 O ATOM 577 CB LEU A 42 -3.780 -13.803 6.297 1.00 11.54 C ATOM 578 CG LEU A 42 -4.339 -12.602 7.101 1.00 50.11 C ATOM 579 CD1 LEU A 42 -5.781 -12.809 7.542 1.00 4.10 C ATOM 580 CD2 LEU A 42 -3.454 -12.307 8.300 1.00 44.13 C ATOM 0 H LEU A 42 -5.780 -15.257 6.073 1.00 42.32 H new ATOM 0 HA LEU A 42 -4.690 -13.188 4.445 1.00 71.23 H new ATOM 0 HB2 LEU A 42 -3.844 -14.690 6.928 1.00 11.54 H new ATOM 0 HB3 LEU A 42 -2.722 -13.620 6.111 1.00 11.54 H new ATOM 0 HG LEU A 42 -4.334 -11.743 6.430 1.00 50.11 H new ATOM 0 HD11 LEU A 42 -6.119 -11.936 8.101 1.00 4.10 H new ATOM 0 HD12 LEU A 42 -6.414 -12.946 6.665 1.00 4.10 H new ATOM 0 HD13 LEU A 42 -5.844 -13.693 8.177 1.00 4.10 H new ATOM 0 HD21 LEU A 42 -3.861 -11.461 8.853 1.00 44.13 H new ATOM 0 HD22 LEU A 42 -3.418 -13.182 8.949 1.00 44.13 H new ATOM 0 HD23 LEU A 42 -2.447 -12.067 7.959 1.00 44.13 H new ATOM 592 N PRO A 43 -2.546 -14.225 3.372 1.00 15.34 N ATOM 593 CA PRO A 43 -1.606 -14.860 2.453 1.00 12.34 C ATOM 594 C PRO A 43 -0.388 -15.443 3.171 1.00 12.43 C ATOM 595 O PRO A 43 -0.219 -15.263 4.386 1.00 2.02 O ATOM 596 CB PRO A 43 -1.180 -13.696 1.590 1.00 13.34 C ATOM 597 CG PRO A 43 -1.169 -12.534 2.522 1.00 31.22 C ATOM 598 CD PRO A 43 -2.291 -12.770 3.487 1.00 44.41 C ATOM 0 HA PRO A 43 -2.048 -15.699 1.916 1.00 12.34 H new ATOM 0 HB2 PRO A 43 -0.196 -13.864 1.152 1.00 13.34 H new ATOM 0 HB3 PRO A 43 -1.874 -13.538 0.764 1.00 13.34 H new ATOM 0 HG2 PRO A 43 -0.215 -12.461 3.043 1.00 31.22 H new ATOM 0 HG3 PRO A 43 -1.310 -11.598 1.981 1.00 31.22 H new ATOM 0 HD2 PRO A 43 -2.012 -12.490 4.503 1.00 44.41 H new ATOM 0 HD3 PRO A 43 -3.174 -12.186 3.227 1.00 44.41 H new ATOM 606 N ALA A 44 0.473 -16.093 2.425 1.00 12.54 N ATOM 607 CA ALA A 44 1.651 -16.698 2.998 1.00 14.11 C ATOM 608 C ALA A 44 2.914 -16.037 2.461 1.00 12.22 C ATOM 609 O ALA A 44 3.230 -16.155 1.274 1.00 42.25 O ATOM 610 CB ALA A 44 1.665 -18.195 2.717 1.00 53.23 C ATOM 0 H ALA A 44 0.379 -16.217 1.417 1.00 12.54 H new ATOM 0 HA ALA A 44 1.626 -16.548 4.077 1.00 14.11 H new ATOM 0 HB1 ALA A 44 2.559 -18.639 3.155 1.00 53.23 H new ATOM 0 HB2 ALA A 44 0.779 -18.656 3.155 1.00 53.23 H new ATOM 0 HB3 ALA A 44 1.667 -18.363 1.640 1.00 53.23 H new ATOM 616 N GLY A 45 3.595 -15.296 3.306 1.00 5.10 N ATOM 617 CA GLY A 45 4.864 -14.691 2.939 1.00 32.00 C ATOM 618 C GLY A 45 4.725 -13.368 2.208 1.00 62.45 C ATOM 619 O GLY A 45 5.291 -12.363 2.619 1.00 34.40 O ATOM 0 H GLY A 45 3.292 -15.095 4.259 1.00 5.10 H new ATOM 0 HA2 GLY A 45 5.456 -14.536 3.841 1.00 32.00 H new ATOM 0 HA3 GLY A 45 5.419 -15.387 2.309 1.00 32.00 H new ATOM 623 N SER A 46 3.986 -13.374 1.130 1.00 51.11 N ATOM 624 CA SER A 46 3.807 -12.196 0.319 1.00 31.31 C ATOM 625 C SER A 46 2.353 -11.739 0.389 1.00 31.33 C ATOM 626 O SER A 46 1.464 -12.549 0.611 1.00 15.45 O ATOM 627 CB SER A 46 4.183 -12.521 -1.116 1.00 35.34 C ATOM 628 OG SER A 46 5.441 -13.194 -1.153 1.00 54.22 O ATOM 0 H SER A 46 3.490 -14.197 0.788 1.00 51.11 H new ATOM 0 HA SER A 46 4.445 -11.393 0.688 1.00 31.31 H new ATOM 0 HB2 SER A 46 3.414 -13.146 -1.569 1.00 35.34 H new ATOM 0 HB3 SER A 46 4.235 -11.604 -1.703 1.00 35.34 H new ATOM 0 HG SER A 46 5.674 -13.401 -2.082 1.00 54.22 H new ATOM 634 N ALA A 47 2.126 -10.470 0.179 1.00 62.23 N ATOM 635 CA ALA A 47 0.790 -9.886 0.254 1.00 15.32 C ATOM 636 C ALA A 47 0.641 -8.860 -0.852 1.00 0.35 C ATOM 637 O ALA A 47 1.615 -8.589 -1.554 1.00 15.11 O ATOM 638 CB ALA A 47 0.578 -9.253 1.612 1.00 22.54 C ATOM 0 H ALA A 47 2.859 -9.799 -0.051 1.00 62.23 H new ATOM 0 HA ALA A 47 0.035 -10.661 0.124 1.00 15.32 H new ATOM 0 HB1 ALA A 47 -0.421 -8.820 1.659 1.00 22.54 H new ATOM 0 HB2 ALA A 47 0.682 -10.012 2.387 1.00 22.54 H new ATOM 0 HB3 ALA A 47 1.321 -8.471 1.769 1.00 22.54 H new ATOM 644 N LEU A 48 -0.544 -8.291 -1.043 1.00 22.23 N ATOM 645 CA LEU A 48 -0.707 -7.344 -2.126 1.00 0.23 C ATOM 646 C LEU A 48 -1.472 -6.107 -1.697 1.00 1.53 C ATOM 647 O LEU A 48 -2.173 -6.121 -0.690 1.00 51.24 O ATOM 648 CB LEU A 48 -1.313 -8.030 -3.385 1.00 15.15 C ATOM 649 CG LEU A 48 -2.739 -8.615 -3.308 1.00 42.04 C ATOM 650 CD1 LEU A 48 -3.798 -7.539 -3.491 1.00 31.53 C ATOM 651 CD2 LEU A 48 -2.919 -9.719 -4.336 1.00 53.50 C ATOM 0 H LEU A 48 -1.377 -8.464 -0.480 1.00 22.23 H new ATOM 0 HA LEU A 48 0.285 -6.990 -2.408 1.00 0.23 H new ATOM 0 HB2 LEU A 48 -1.301 -7.300 -4.195 1.00 15.15 H new ATOM 0 HB3 LEU A 48 -0.641 -8.838 -3.674 1.00 15.15 H new ATOM 0 HG LEU A 48 -2.867 -9.038 -2.312 1.00 42.04 H new ATOM 0 HD11 LEU A 48 -4.789 -7.990 -3.431 1.00 31.53 H new ATOM 0 HD12 LEU A 48 -3.693 -6.788 -2.708 1.00 31.53 H new ATOM 0 HD13 LEU A 48 -3.673 -7.067 -4.466 1.00 31.53 H new ATOM 0 HD21 LEU A 48 -3.930 -10.119 -4.267 1.00 53.50 H new ATOM 0 HD22 LEU A 48 -2.756 -9.316 -5.335 1.00 53.50 H new ATOM 0 HD23 LEU A 48 -2.200 -10.515 -4.144 1.00 53.50 H new ATOM 663 N LEU A 49 -1.331 -5.053 -2.443 1.00 55.11 N ATOM 664 CA LEU A 49 -2.079 -3.857 -2.201 1.00 1.31 C ATOM 665 C LEU A 49 -2.553 -3.305 -3.510 1.00 75.14 C ATOM 666 O LEU A 49 -1.908 -3.505 -4.549 1.00 23.02 O ATOM 667 CB LEU A 49 -1.281 -2.802 -1.360 1.00 1.42 C ATOM 668 CG LEU A 49 0.029 -2.175 -1.935 1.00 4.10 C ATOM 669 CD1 LEU A 49 -0.242 -1.144 -3.034 1.00 4.33 C ATOM 670 CD2 LEU A 49 0.850 -1.543 -0.818 1.00 10.23 C ATOM 0 H LEU A 49 -0.693 -4.998 -3.237 1.00 55.11 H new ATOM 0 HA LEU A 49 -2.945 -4.106 -1.588 1.00 1.31 H new ATOM 0 HB2 LEU A 49 -1.963 -1.981 -1.138 1.00 1.42 H new ATOM 0 HB3 LEU A 49 -1.026 -3.271 -0.409 1.00 1.42 H new ATOM 0 HG LEU A 49 0.594 -2.989 -2.389 1.00 4.10 H new ATOM 0 HD11 LEU A 49 0.704 -0.741 -3.396 1.00 4.33 H new ATOM 0 HD12 LEU A 49 -0.773 -1.621 -3.858 1.00 4.33 H new ATOM 0 HD13 LEU A 49 -0.850 -0.334 -2.631 1.00 4.33 H new ATOM 0 HD21 LEU A 49 1.760 -1.111 -1.235 1.00 10.23 H new ATOM 0 HD22 LEU A 49 0.265 -0.761 -0.334 1.00 10.23 H new ATOM 0 HD23 LEU A 49 1.114 -2.305 -0.084 1.00 10.23 H new ATOM 682 N VAL A 50 -3.667 -2.663 -3.486 1.00 11.24 N ATOM 683 CA VAL A 50 -4.176 -2.019 -4.648 1.00 1.22 C ATOM 684 C VAL A 50 -4.331 -0.563 -4.315 1.00 21.11 C ATOM 685 O VAL A 50 -4.672 -0.207 -3.181 1.00 32.14 O ATOM 686 CB VAL A 50 -5.543 -2.618 -5.159 1.00 34.13 C ATOM 687 CG1 VAL A 50 -5.428 -4.108 -5.454 1.00 64.01 C ATOM 688 CG2 VAL A 50 -6.694 -2.354 -4.192 1.00 42.34 C ATOM 0 H VAL A 50 -4.254 -2.568 -2.658 1.00 11.24 H new ATOM 0 HA VAL A 50 -3.474 -2.176 -5.467 1.00 1.22 H new ATOM 0 HB VAL A 50 -5.772 -2.099 -6.090 1.00 34.13 H new ATOM 0 HG11 VAL A 50 -6.389 -4.485 -5.804 1.00 64.01 H new ATOM 0 HG12 VAL A 50 -4.673 -4.269 -6.224 1.00 64.01 H new ATOM 0 HG13 VAL A 50 -5.139 -4.637 -4.546 1.00 64.01 H new ATOM 0 HG21 VAL A 50 -7.611 -2.787 -4.591 1.00 42.34 H new ATOM 0 HG22 VAL A 50 -6.469 -2.807 -3.226 1.00 42.34 H new ATOM 0 HG23 VAL A 50 -6.825 -1.279 -4.067 1.00 42.34 H new ATOM 698 N VAL A 51 -4.036 0.278 -5.228 1.00 44.20 N ATOM 699 CA VAL A 51 -4.217 1.660 -4.984 1.00 40.25 C ATOM 700 C VAL A 51 -5.585 2.030 -5.481 1.00 15.23 C ATOM 701 O VAL A 51 -5.886 1.888 -6.665 1.00 42.41 O ATOM 702 CB VAL A 51 -3.134 2.531 -5.655 1.00 40.03 C ATOM 703 CG1 VAL A 51 -3.332 3.989 -5.296 1.00 72.53 C ATOM 704 CG2 VAL A 51 -1.742 2.072 -5.241 1.00 24.25 C ATOM 0 H VAL A 51 -3.669 0.039 -6.149 1.00 44.20 H new ATOM 0 HA VAL A 51 -4.124 1.849 -3.915 1.00 40.25 H new ATOM 0 HB VAL A 51 -3.227 2.420 -6.735 1.00 40.03 H new ATOM 0 HG11 VAL A 51 -2.560 4.590 -5.777 1.00 72.53 H new ATOM 0 HG12 VAL A 51 -4.314 4.318 -5.638 1.00 72.53 H new ATOM 0 HG13 VAL A 51 -3.265 4.110 -4.215 1.00 72.53 H new ATOM 0 HG21 VAL A 51 -0.993 2.699 -5.725 1.00 24.25 H new ATOM 0 HG22 VAL A 51 -1.639 2.153 -4.159 1.00 24.25 H new ATOM 0 HG23 VAL A 51 -1.596 1.035 -5.542 1.00 24.25 H new ATOM 714 N LYS A 52 -6.414 2.451 -4.562 1.00 3.23 N ATOM 715 CA LYS A 52 -7.786 2.774 -4.835 1.00 20.33 C ATOM 716 C LYS A 52 -7.856 4.146 -5.506 1.00 3.55 C ATOM 717 O LYS A 52 -8.876 4.504 -6.070 1.00 50.55 O ATOM 718 CB LYS A 52 -8.576 2.681 -3.524 1.00 64.02 C ATOM 719 CG LYS A 52 -10.090 2.791 -3.624 1.00 42.24 C ATOM 720 CD LYS A 52 -10.725 2.496 -2.266 1.00 54.40 C ATOM 721 CE LYS A 52 -12.233 2.630 -2.293 1.00 33.10 C ATOM 722 NZ LYS A 52 -12.843 2.123 -1.045 1.00 64.41 N ATOM 0 H LYS A 52 -6.148 2.581 -3.586 1.00 3.23 H new ATOM 0 HA LYS A 52 -8.240 2.070 -5.532 1.00 20.33 H new ATOM 0 HB2 LYS A 52 -8.336 1.730 -3.050 1.00 64.02 H new ATOM 0 HB3 LYS A 52 -8.222 3.468 -2.858 1.00 64.02 H new ATOM 0 HG2 LYS A 52 -10.369 3.791 -3.956 1.00 42.24 H new ATOM 0 HG3 LYS A 52 -10.465 2.091 -4.370 1.00 42.24 H new ATOM 0 HD2 LYS A 52 -10.458 1.486 -1.955 1.00 54.40 H new ATOM 0 HD3 LYS A 52 -10.316 3.178 -1.521 1.00 54.40 H new ATOM 0 HE2 LYS A 52 -12.504 3.676 -2.433 1.00 33.10 H new ATOM 0 HE3 LYS A 52 -12.633 2.080 -3.145 1.00 33.10 H new ATOM 0 HZ1 LYS A 52 -13.871 2.276 -1.074 1.00 64.41 H new ATOM 0 HZ2 LYS A 52 -12.646 1.106 -0.951 1.00 64.41 H new ATOM 0 HZ3 LYS A 52 -12.441 2.630 -0.231 1.00 64.41 H new ATOM 736 N ARG A 53 -6.785 4.939 -5.294 1.00 45.54 N ATOM 737 CA ARG A 53 -6.441 6.145 -6.077 1.00 71.12 C ATOM 738 C ARG A 53 -5.346 6.919 -5.363 1.00 63.43 C ATOM 739 O ARG A 53 -5.431 7.136 -4.147 1.00 40.05 O ATOM 740 CB ARG A 53 -7.613 7.091 -6.393 1.00 11.11 C ATOM 741 CG ARG A 53 -7.240 8.062 -7.491 1.00 52.13 C ATOM 742 CD ARG A 53 -8.378 8.930 -7.957 1.00 62.53 C ATOM 743 NE ARG A 53 -7.956 9.665 -9.150 1.00 73.12 N ATOM 744 CZ ARG A 53 -8.626 10.624 -9.778 1.00 54.51 C ATOM 745 NH1 ARG A 53 -9.799 11.044 -9.321 1.00 14.53 N ATOM 746 NH2 ARG A 53 -8.105 11.153 -10.877 1.00 14.15 N ATOM 0 H ARG A 53 -6.114 4.752 -4.549 1.00 45.54 H new ATOM 0 HA ARG A 53 -6.108 5.769 -7.044 1.00 71.12 H new ATOM 0 HB2 ARG A 53 -8.484 6.510 -6.696 1.00 11.11 H new ATOM 0 HB3 ARG A 53 -7.894 7.641 -5.495 1.00 11.11 H new ATOM 0 HG2 ARG A 53 -6.431 8.701 -7.137 1.00 52.13 H new ATOM 0 HG3 ARG A 53 -6.853 7.501 -8.342 1.00 52.13 H new ATOM 0 HD2 ARG A 53 -9.252 8.318 -8.181 1.00 62.53 H new ATOM 0 HD3 ARG A 53 -8.669 9.625 -7.169 1.00 62.53 H new ATOM 0 HE ARG A 53 -7.048 9.413 -9.542 1.00 73.12 H new ATOM 0 HH11 ARG A 53 -10.196 10.629 -8.478 1.00 14.53 H new ATOM 0 HH12 ARG A 53 -10.304 11.782 -9.813 1.00 14.53 H new ATOM 0 HH21 ARG A 53 -7.205 10.822 -11.225 1.00 14.15 H new ATOM 0 HH22 ARG A 53 -8.604 11.891 -11.374 1.00 14.15 H new ATOM 760 N GLY A 54 -4.310 7.287 -6.092 1.00 42.24 N ATOM 761 CA GLY A 54 -3.233 8.053 -5.519 1.00 22.35 C ATOM 762 C GLY A 54 -2.099 8.279 -6.514 1.00 4.22 C ATOM 763 O GLY A 54 -1.929 7.485 -7.439 1.00 4.35 O ATOM 0 H GLY A 54 -4.196 7.066 -7.081 1.00 42.24 H new ATOM 0 HA2 GLY A 54 -3.614 9.016 -5.179 1.00 22.35 H new ATOM 0 HA3 GLY A 54 -2.847 7.535 -4.641 1.00 22.35 H new ATOM 767 N PRO A 55 -1.316 9.382 -6.375 1.00 71.05 N ATOM 768 CA PRO A 55 -0.159 9.685 -7.246 1.00 5.02 C ATOM 769 C PRO A 55 1.011 8.728 -7.018 1.00 1.22 C ATOM 770 O PRO A 55 1.999 8.752 -7.760 1.00 31.20 O ATOM 771 CB PRO A 55 0.252 11.114 -6.848 1.00 43.13 C ATOM 772 CG PRO A 55 -0.868 11.626 -6.016 1.00 11.21 C ATOM 773 CD PRO A 55 -1.482 10.426 -5.361 1.00 62.03 C ATOM 0 HA PRO A 55 -0.423 9.582 -8.298 1.00 5.02 H new ATOM 0 HB2 PRO A 55 1.188 11.113 -6.290 1.00 43.13 H new ATOM 0 HB3 PRO A 55 0.406 11.739 -7.728 1.00 43.13 H new ATOM 0 HG2 PRO A 55 -0.507 12.335 -5.271 1.00 11.21 H new ATOM 0 HG3 PRO A 55 -1.600 12.152 -6.629 1.00 11.21 H new ATOM 0 HD2 PRO A 55 -0.976 10.170 -4.430 1.00 62.03 H new ATOM 0 HD3 PRO A 55 -2.532 10.591 -5.118 1.00 62.03 H new ATOM 781 N ASN A 56 0.899 7.917 -5.972 1.00 50.31 N ATOM 782 CA ASN A 56 1.934 6.959 -5.597 1.00 12.44 C ATOM 783 C ASN A 56 2.167 5.959 -6.713 1.00 20.24 C ATOM 784 O ASN A 56 3.303 5.658 -7.062 1.00 53.41 O ATOM 785 CB ASN A 56 1.578 6.214 -4.272 1.00 64.34 C ATOM 786 CG ASN A 56 0.311 5.370 -4.311 1.00 71.13 C ATOM 787 OD1 ASN A 56 -0.654 5.683 -5.008 1.00 73.21 O ATOM 788 ND2 ASN A 56 0.312 4.292 -3.568 1.00 45.43 N ATOM 0 H ASN A 56 0.085 7.905 -5.358 1.00 50.31 H new ATOM 0 HA ASN A 56 2.852 7.522 -5.428 1.00 12.44 H new ATOM 0 HB2 ASN A 56 2.414 5.569 -4.003 1.00 64.34 H new ATOM 0 HB3 ASN A 56 1.477 6.953 -3.477 1.00 64.34 H new ATOM 0 HD21 ASN A 56 -0.505 3.681 -3.555 1.00 45.43 H new ATOM 0 HD22 ASN A 56 1.129 4.063 -3.003 1.00 45.43 H new ATOM 795 N ALA A 57 1.082 5.493 -7.303 1.00 34.24 N ATOM 796 CA ALA A 57 1.133 4.532 -8.378 1.00 64.01 C ATOM 797 C ALA A 57 -0.202 4.495 -9.075 1.00 33.04 C ATOM 798 O ALA A 57 -0.300 4.775 -10.265 1.00 64.42 O ATOM 799 CB ALA A 57 1.477 3.144 -7.846 1.00 63.53 C ATOM 0 H ALA A 57 0.136 5.775 -7.045 1.00 34.24 H new ATOM 0 HA ALA A 57 1.910 4.831 -9.082 1.00 64.01 H new ATOM 0 HB1 ALA A 57 1.510 2.435 -8.673 1.00 63.53 H new ATOM 0 HB2 ALA A 57 2.449 3.174 -7.354 1.00 63.53 H new ATOM 0 HB3 ALA A 57 0.718 2.830 -7.130 1.00 63.53 H new ATOM 805 N GLY A 58 -1.234 4.178 -8.319 1.00 51.51 N ATOM 806 CA GLY A 58 -2.558 4.075 -8.885 1.00 22.43 C ATOM 807 C GLY A 58 -2.757 2.759 -9.599 1.00 65.14 C ATOM 808 O GLY A 58 -3.490 2.680 -10.581 1.00 33.25 O ATOM 0 H GLY A 58 -1.179 3.989 -7.318 1.00 51.51 H new ATOM 0 HA2 GLY A 58 -3.301 4.176 -8.094 1.00 22.43 H new ATOM 0 HA3 GLY A 58 -2.721 4.896 -9.583 1.00 22.43 H new ATOM 812 N ALA A 59 -2.119 1.727 -9.097 1.00 44.22 N ATOM 813 CA ALA A 59 -2.150 0.415 -9.692 1.00 72.12 C ATOM 814 C ALA A 59 -2.145 -0.609 -8.575 1.00 42.41 C ATOM 815 O ALA A 59 -2.410 -0.260 -7.425 1.00 1.43 O ATOM 816 CB ALA A 59 -0.926 0.243 -10.590 1.00 75.42 C ATOM 0 H ALA A 59 -1.555 1.779 -8.249 1.00 44.22 H new ATOM 0 HA ALA A 59 -3.044 0.283 -10.301 1.00 72.12 H new ATOM 0 HB1 ALA A 59 -0.944 -0.748 -11.043 1.00 75.42 H new ATOM 0 HB2 ALA A 59 -0.940 1.001 -11.373 1.00 75.42 H new ATOM 0 HB3 ALA A 59 -0.020 0.354 -9.995 1.00 75.42 H new ATOM 822 N ARG A 60 -1.867 -1.840 -8.883 1.00 63.32 N ATOM 823 CA ARG A 60 -1.797 -2.860 -7.867 1.00 3.41 C ATOM 824 C ARG A 60 -0.378 -3.409 -7.765 1.00 24.34 C ATOM 825 O ARG A 60 0.297 -3.615 -8.784 1.00 12.12 O ATOM 826 CB ARG A 60 -2.867 -3.935 -8.069 1.00 32.52 C ATOM 827 CG ARG A 60 -2.842 -4.652 -9.407 1.00 63.54 C ATOM 828 CD ARG A 60 -3.981 -5.645 -9.513 1.00 41.52 C ATOM 829 NE ARG A 60 -3.880 -6.711 -8.509 1.00 53.41 N ATOM 830 CZ ARG A 60 -4.909 -7.434 -8.036 1.00 34.43 C ATOM 831 NH1 ARG A 60 -6.175 -7.111 -8.346 1.00 45.42 N ATOM 832 NH2 ARG A 60 -4.669 -8.462 -7.233 1.00 34.32 N ATOM 0 H ARG A 60 -1.684 -2.168 -9.831 1.00 63.32 H new ATOM 0 HA ARG A 60 -2.027 -2.414 -6.899 1.00 3.41 H new ATOM 0 HB2 ARG A 60 -2.762 -4.678 -7.278 1.00 32.52 H new ATOM 0 HB3 ARG A 60 -3.846 -3.473 -7.944 1.00 32.52 H new ATOM 0 HG2 ARG A 60 -2.913 -3.924 -10.215 1.00 63.54 H new ATOM 0 HG3 ARG A 60 -1.891 -5.170 -9.528 1.00 63.54 H new ATOM 0 HD2 ARG A 60 -4.930 -5.122 -9.392 1.00 41.52 H new ATOM 0 HD3 ARG A 60 -3.985 -6.086 -10.510 1.00 41.52 H new ATOM 0 HE ARG A 60 -2.952 -6.920 -8.140 1.00 53.41 H new ATOM 0 HH11 ARG A 60 -6.364 -6.309 -8.947 1.00 45.42 H new ATOM 0 HH12 ARG A 60 -6.947 -7.668 -7.981 1.00 45.42 H new ATOM 0 HH21 ARG A 60 -3.710 -8.698 -6.979 1.00 34.32 H new ATOM 0 HH22 ARG A 60 -5.444 -9.017 -6.869 1.00 34.32 H new ATOM 846 N PHE A 61 0.062 -3.619 -6.551 1.00 32.45 N ATOM 847 CA PHE A 61 1.445 -3.938 -6.262 1.00 74.42 C ATOM 848 C PHE A 61 1.534 -5.169 -5.351 1.00 31.11 C ATOM 849 O PHE A 61 0.636 -5.412 -4.528 1.00 53.11 O ATOM 850 CB PHE A 61 2.052 -2.696 -5.574 1.00 22.23 C ATOM 851 CG PHE A 61 3.516 -2.739 -5.231 1.00 72.14 C ATOM 852 CD1 PHE A 61 4.472 -2.521 -6.203 1.00 65.35 C ATOM 853 CD2 PHE A 61 3.931 -2.951 -3.924 1.00 31.21 C ATOM 854 CE1 PHE A 61 5.814 -2.515 -5.885 1.00 72.12 C ATOM 855 CE2 PHE A 61 5.275 -2.952 -3.600 1.00 22.04 C ATOM 856 CZ PHE A 61 6.217 -2.733 -4.585 1.00 32.24 C ATOM 0 H PHE A 61 -0.533 -3.574 -5.723 1.00 32.45 H new ATOM 0 HA PHE A 61 1.992 -4.179 -7.174 1.00 74.42 H new ATOM 0 HB2 PHE A 61 1.883 -1.836 -6.222 1.00 22.23 H new ATOM 0 HB3 PHE A 61 1.496 -2.515 -4.654 1.00 22.23 H new ATOM 0 HD1 PHE A 61 4.165 -2.353 -7.225 1.00 65.35 H new ATOM 0 HD2 PHE A 61 3.195 -3.117 -3.151 1.00 31.21 H new ATOM 0 HE1 PHE A 61 6.550 -2.339 -6.656 1.00 72.12 H new ATOM 0 HE2 PHE A 61 5.587 -3.123 -2.580 1.00 22.04 H new ATOM 0 HZ PHE A 61 7.268 -2.732 -4.337 1.00 32.24 H new ATOM 866 N LEU A 62 2.581 -5.952 -5.521 1.00 3.13 N ATOM 867 CA LEU A 62 2.824 -7.113 -4.693 1.00 4.43 C ATOM 868 C LEU A 62 3.943 -6.802 -3.722 1.00 20.24 C ATOM 869 O LEU A 62 4.959 -6.208 -4.104 1.00 43.32 O ATOM 870 CB LEU A 62 3.224 -8.330 -5.538 1.00 2.10 C ATOM 871 CG LEU A 62 2.186 -8.896 -6.511 1.00 52.33 C ATOM 872 CD1 LEU A 62 2.780 -10.055 -7.282 1.00 21.42 C ATOM 873 CD2 LEU A 62 0.951 -9.353 -5.767 1.00 71.51 C ATOM 0 H LEU A 62 3.288 -5.799 -6.240 1.00 3.13 H new ATOM 0 HA LEU A 62 1.903 -7.351 -4.160 1.00 4.43 H new ATOM 0 HB2 LEU A 62 4.111 -8.062 -6.113 1.00 2.10 H new ATOM 0 HB3 LEU A 62 3.515 -9.129 -4.857 1.00 2.10 H new ATOM 0 HG LEU A 62 1.900 -8.108 -7.208 1.00 52.33 H new ATOM 0 HD11 LEU A 62 2.036 -10.452 -7.972 1.00 21.42 H new ATOM 0 HD12 LEU A 62 3.649 -9.711 -7.844 1.00 21.42 H new ATOM 0 HD13 LEU A 62 3.084 -10.837 -6.586 1.00 21.42 H new ATOM 0 HD21 LEU A 62 0.226 -9.752 -6.476 1.00 71.51 H new ATOM 0 HD22 LEU A 62 1.223 -10.129 -5.052 1.00 71.51 H new ATOM 0 HD23 LEU A 62 0.513 -8.508 -5.236 1.00 71.51 H new ATOM 885 N LEU A 63 3.764 -7.152 -2.484 1.00 75.53 N ATOM 886 CA LEU A 63 4.785 -6.936 -1.506 1.00 32.21 C ATOM 887 C LEU A 63 5.348 -8.257 -1.081 1.00 55.24 C ATOM 888 O LEU A 63 4.634 -9.096 -0.507 1.00 51.11 O ATOM 889 CB LEU A 63 4.275 -6.194 -0.246 1.00 70.24 C ATOM 890 CG LEU A 63 3.670 -4.798 -0.423 1.00 3.23 C ATOM 891 CD1 LEU A 63 2.276 -4.867 -1.021 1.00 15.11 C ATOM 892 CD2 LEU A 63 3.658 -4.051 0.898 1.00 33.42 C ATOM 0 H LEU A 63 2.915 -7.591 -2.127 1.00 75.53 H new ATOM 0 HA LEU A 63 5.542 -6.308 -1.975 1.00 32.21 H new ATOM 0 HB2 LEU A 63 3.524 -6.824 0.230 1.00 70.24 H new ATOM 0 HB3 LEU A 63 5.109 -6.110 0.451 1.00 70.24 H new ATOM 0 HG LEU A 63 4.298 -4.248 -1.124 1.00 3.23 H new ATOM 0 HD11 LEU A 63 1.878 -3.859 -1.132 1.00 15.11 H new ATOM 0 HD12 LEU A 63 2.322 -5.349 -1.998 1.00 15.11 H new ATOM 0 HD13 LEU A 63 1.626 -5.443 -0.363 1.00 15.11 H new ATOM 0 HD21 LEU A 63 3.225 -3.061 0.752 1.00 33.42 H new ATOM 0 HD22 LEU A 63 3.062 -4.605 1.624 1.00 33.42 H new ATOM 0 HD23 LEU A 63 4.678 -3.950 1.268 1.00 33.42 H new ATOM 904 N ASP A 64 6.588 -8.467 -1.393 1.00 4.42 N ATOM 905 CA ASP A 64 7.312 -9.628 -0.913 1.00 34.05 C ATOM 906 C ASP A 64 8.643 -9.150 -0.360 1.00 43.45 C ATOM 907 O ASP A 64 9.489 -9.936 0.073 1.00 15.10 O ATOM 908 CB ASP A 64 7.525 -10.663 -2.026 1.00 34.10 C ATOM 909 CG ASP A 64 8.556 -10.257 -3.054 1.00 4.23 C ATOM 910 OD1 ASP A 64 8.344 -9.265 -3.768 1.00 20.35 O ATOM 911 OD2 ASP A 64 9.576 -10.969 -3.193 1.00 64.25 O ATOM 0 H ASP A 64 7.137 -7.846 -1.987 1.00 4.42 H new ATOM 0 HA ASP A 64 6.732 -10.124 -0.135 1.00 34.05 H new ATOM 0 HB2 ASP A 64 7.828 -11.608 -1.576 1.00 34.10 H new ATOM 0 HB3 ASP A 64 6.575 -10.840 -2.530 1.00 34.10 H new ATOM 916 N GLN A 65 8.785 -7.831 -0.352 1.00 13.11 N ATOM 917 CA GLN A 65 9.954 -7.157 0.153 1.00 60.04 C ATOM 918 C GLN A 65 9.779 -7.039 1.650 1.00 24.24 C ATOM 919 O GLN A 65 8.749 -6.513 2.081 1.00 53.25 O ATOM 920 CB GLN A 65 10.037 -5.733 -0.426 1.00 33.11 C ATOM 921 CG GLN A 65 10.068 -5.649 -1.943 1.00 51.34 C ATOM 922 CD GLN A 65 10.001 -4.207 -2.467 1.00 54.54 C ATOM 923 OE1 GLN A 65 9.453 -3.946 -3.559 1.00 55.42 O ATOM 924 NE2 GLN A 65 10.574 -3.277 -1.734 1.00 14.31 N ATOM 0 H GLN A 65 8.071 -7.195 -0.706 1.00 13.11 H new ATOM 0 HA GLN A 65 10.854 -7.709 -0.119 1.00 60.04 H new ATOM 0 HB2 GLN A 65 9.182 -5.161 -0.064 1.00 33.11 H new ATOM 0 HB3 GLN A 65 10.932 -5.251 -0.034 1.00 33.11 H new ATOM 0 HG2 GLN A 65 10.980 -6.120 -2.309 1.00 51.34 H new ATOM 0 HG3 GLN A 65 9.231 -6.217 -2.350 1.00 51.34 H new ATOM 0 HE21 GLN A 65 11.012 -3.525 -0.847 1.00 14.31 H new ATOM 0 HE22 GLN A 65 10.580 -2.308 -2.053 1.00 14.31 H new ATOM 933 N PRO A 66 10.748 -7.534 2.462 1.00 25.44 N ATOM 934 CA PRO A 66 10.674 -7.485 3.929 1.00 44.23 C ATOM 935 C PRO A 66 10.236 -6.115 4.459 1.00 42.10 C ATOM 936 O PRO A 66 9.345 -6.025 5.310 1.00 75.43 O ATOM 937 CB PRO A 66 12.112 -7.809 4.390 1.00 23.14 C ATOM 938 CG PRO A 66 12.928 -7.946 3.138 1.00 14.40 C ATOM 939 CD PRO A 66 11.967 -8.222 2.021 1.00 23.32 C ATOM 0 HA PRO A 66 9.928 -8.183 4.309 1.00 44.23 H new ATOM 0 HB2 PRO A 66 12.505 -7.017 5.027 1.00 23.14 H new ATOM 0 HB3 PRO A 66 12.136 -8.729 4.974 1.00 23.14 H new ATOM 0 HG2 PRO A 66 13.494 -7.035 2.944 1.00 14.40 H new ATOM 0 HG3 PRO A 66 13.651 -8.756 3.235 1.00 14.40 H new ATOM 0 HD2 PRO A 66 12.330 -7.832 1.070 1.00 23.32 H new ATOM 0 HD3 PRO A 66 11.801 -9.291 1.885 1.00 23.32 H new ATOM 947 N THR A 67 10.827 -5.071 3.931 1.00 11.03 N ATOM 948 CA THR A 67 10.505 -3.735 4.337 1.00 1.43 C ATOM 949 C THR A 67 10.385 -2.838 3.100 1.00 51.11 C ATOM 950 O THR A 67 11.345 -2.688 2.338 1.00 75.53 O ATOM 951 CB THR A 67 11.597 -3.184 5.283 1.00 40.00 C ATOM 952 OG1 THR A 67 11.805 -4.101 6.375 1.00 44.32 O ATOM 953 CG2 THR A 67 11.199 -1.829 5.842 1.00 4.24 C ATOM 0 H THR A 67 11.544 -5.129 3.208 1.00 11.03 H new ATOM 0 HA THR A 67 9.555 -3.745 4.871 1.00 1.43 H new ATOM 0 HB THR A 67 12.517 -3.072 4.709 1.00 40.00 H new ATOM 0 HG1 THR A 67 12.499 -3.748 6.971 1.00 44.32 H new ATOM 0 HG21 THR A 67 11.984 -1.464 6.504 1.00 4.24 H new ATOM 0 HG22 THR A 67 11.059 -1.124 5.022 1.00 4.24 H new ATOM 0 HG23 THR A 67 10.268 -1.925 6.401 1.00 4.24 H new ATOM 961 N THR A 68 9.217 -2.296 2.878 1.00 24.44 N ATOM 962 CA THR A 68 8.997 -1.389 1.784 1.00 65.31 C ATOM 963 C THR A 68 8.698 0.002 2.373 1.00 34.50 C ATOM 964 O THR A 68 7.677 0.201 3.039 1.00 50.11 O ATOM 965 CB THR A 68 7.797 -1.883 0.948 1.00 14.51 C ATOM 966 OG1 THR A 68 7.984 -3.275 0.648 1.00 3.13 O ATOM 967 CG2 THR A 68 7.682 -1.108 -0.354 1.00 45.01 C ATOM 0 H THR A 68 8.391 -2.471 3.451 1.00 24.44 H new ATOM 0 HA THR A 68 9.874 -1.338 1.139 1.00 65.31 H new ATOM 0 HB THR A 68 6.884 -1.730 1.523 1.00 14.51 H new ATOM 0 HG1 THR A 68 7.226 -3.600 0.118 1.00 3.13 H new ATOM 0 HG21 THR A 68 6.828 -1.477 -0.923 1.00 45.01 H new ATOM 0 HG22 THR A 68 7.543 -0.049 -0.136 1.00 45.01 H new ATOM 0 HG23 THR A 68 8.592 -1.241 -0.938 1.00 45.01 H new ATOM 975 N THR A 69 9.580 0.940 2.158 1.00 22.23 N ATOM 976 CA THR A 69 9.425 2.254 2.726 1.00 32.51 C ATOM 977 C THR A 69 8.813 3.218 1.705 1.00 10.10 C ATOM 978 O THR A 69 9.260 3.301 0.553 1.00 2.45 O ATOM 979 CB THR A 69 10.788 2.775 3.213 1.00 3.04 C ATOM 980 OG1 THR A 69 11.422 1.749 4.009 1.00 1.02 O ATOM 981 CG2 THR A 69 10.624 4.038 4.059 1.00 0.30 C ATOM 0 H THR A 69 10.419 0.819 1.590 1.00 22.23 H new ATOM 0 HA THR A 69 8.746 2.191 3.576 1.00 32.51 H new ATOM 0 HB THR A 69 11.399 3.020 2.345 1.00 3.04 H new ATOM 0 HG1 THR A 69 11.107 1.812 4.935 1.00 1.02 H new ATOM 0 HG21 THR A 69 11.603 4.384 4.390 1.00 0.30 H new ATOM 0 HG22 THR A 69 10.146 4.816 3.463 1.00 0.30 H new ATOM 0 HG23 THR A 69 10.005 3.816 4.928 1.00 0.30 H new ATOM 989 N ALA A 70 7.800 3.929 2.128 1.00 33.03 N ATOM 990 CA ALA A 70 7.097 4.845 1.287 1.00 32.42 C ATOM 991 C ALA A 70 7.605 6.261 1.500 1.00 24.05 C ATOM 992 O ALA A 70 7.411 6.862 2.580 1.00 12.11 O ATOM 993 CB ALA A 70 5.606 4.750 1.561 1.00 23.15 C ATOM 0 H ALA A 70 7.440 3.883 3.081 1.00 33.03 H new ATOM 0 HA ALA A 70 7.275 4.583 0.244 1.00 32.42 H new ATOM 0 HB1 ALA A 70 5.073 5.450 0.918 1.00 23.15 H new ATOM 0 HB2 ALA A 70 5.262 3.736 1.357 1.00 23.15 H new ATOM 0 HB3 ALA A 70 5.412 4.996 2.605 1.00 23.15 H new ATOM 999 N GLY A 71 8.275 6.764 0.496 1.00 34.01 N ATOM 1000 CA GLY A 71 8.802 8.101 0.511 1.00 64.23 C ATOM 1001 C GLY A 71 8.530 8.740 -0.818 1.00 55.22 C ATOM 1002 O GLY A 71 7.477 8.500 -1.394 1.00 20.43 O ATOM 0 H GLY A 71 8.471 6.251 -0.363 1.00 34.01 H new ATOM 0 HA2 GLY A 71 8.340 8.680 1.310 1.00 64.23 H new ATOM 0 HA3 GLY A 71 9.874 8.083 0.709 1.00 64.23 H new ATOM 1006 N ARG A 72 9.441 9.540 -1.314 1.00 60.33 N ATOM 1007 CA ARG A 72 9.274 10.136 -2.648 1.00 13.44 C ATOM 1008 C ARG A 72 10.637 10.623 -3.171 1.00 51.15 C ATOM 1009 O ARG A 72 10.743 11.284 -4.199 1.00 61.45 O ATOM 1010 CB ARG A 72 8.198 11.263 -2.572 1.00 51.52 C ATOM 1011 CG ARG A 72 7.652 11.842 -3.896 1.00 35.11 C ATOM 1012 CD ARG A 72 8.408 13.083 -4.370 1.00 73.41 C ATOM 1013 NE ARG A 72 7.789 13.682 -5.562 1.00 11.21 N ATOM 1014 CZ ARG A 72 8.032 14.909 -6.035 1.00 53.33 C ATOM 1015 NH1 ARG A 72 8.919 15.706 -5.448 1.00 61.02 N ATOM 1016 NH2 ARG A 72 7.372 15.332 -7.095 1.00 21.33 N ATOM 0 H ARG A 72 10.302 9.801 -0.833 1.00 60.33 H new ATOM 0 HA ARG A 72 8.914 9.398 -3.365 1.00 13.44 H new ATOM 0 HB2 ARG A 72 7.352 10.877 -2.003 1.00 51.52 H new ATOM 0 HB3 ARG A 72 8.620 12.087 -1.997 1.00 51.52 H new ATOM 0 HG2 ARG A 72 7.705 11.075 -4.669 1.00 35.11 H new ATOM 0 HG3 ARG A 72 6.599 12.093 -3.768 1.00 35.11 H new ATOM 0 HD2 ARG A 72 8.436 13.819 -3.567 1.00 73.41 H new ATOM 0 HD3 ARG A 72 9.441 12.815 -4.593 1.00 73.41 H new ATOM 0 HE ARG A 72 7.115 13.111 -6.073 1.00 11.21 H new ATOM 0 HH11 ARG A 72 9.426 15.385 -4.624 1.00 61.02 H new ATOM 0 HH12 ARG A 72 9.092 16.639 -5.822 1.00 61.02 H new ATOM 0 HH21 ARG A 72 6.686 14.726 -7.544 1.00 21.33 H new ATOM 0 HH22 ARG A 72 7.548 16.266 -7.466 1.00 21.33 H new ATOM 1030 N HIS A 73 11.687 10.218 -2.504 1.00 5.30 N ATOM 1031 CA HIS A 73 13.004 10.637 -2.884 1.00 25.20 C ATOM 1032 C HIS A 73 13.637 9.521 -3.689 1.00 13.22 C ATOM 1033 O HIS A 73 13.203 8.381 -3.576 1.00 2.24 O ATOM 1034 CB HIS A 73 13.846 10.989 -1.638 1.00 2.24 C ATOM 1035 CG HIS A 73 13.278 12.128 -0.836 1.00 12.42 C ATOM 1036 ND1 HIS A 73 13.394 12.252 0.529 1.00 72.54 N ATOM 1037 CD2 HIS A 73 12.589 13.222 -1.247 1.00 45.34 C ATOM 1038 CE1 HIS A 73 12.788 13.376 0.895 1.00 0.51 C ATOM 1039 NE2 HIS A 73 12.280 14.009 -0.149 1.00 34.13 N ATOM 0 H HIS A 73 11.652 9.598 -1.695 1.00 5.30 H new ATOM 0 HA HIS A 73 12.954 11.540 -3.493 1.00 25.20 H new ATOM 0 HB2 HIS A 73 13.924 10.108 -1.000 1.00 2.24 H new ATOM 0 HB3 HIS A 73 14.858 11.245 -1.953 1.00 2.24 H new ATOM 0 HD2 HIS A 73 12.323 13.445 -2.270 1.00 45.34 H new ATOM 0 HE1 HIS A 73 12.719 13.728 1.914 1.00 0.51 H new ATOM 0 HE2 HIS A 73 11.768 14.891 -0.147 1.00 34.13 H new ATOM 1047 N PRO A 74 14.646 9.812 -4.524 1.00 13.52 N ATOM 1048 CA PRO A 74 15.308 8.797 -5.370 1.00 64.14 C ATOM 1049 C PRO A 74 15.885 7.615 -4.584 1.00 33.12 C ATOM 1050 O PRO A 74 16.118 6.556 -5.144 1.00 5.14 O ATOM 1051 CB PRO A 74 16.427 9.576 -6.054 1.00 50.52 C ATOM 1052 CG PRO A 74 15.936 10.976 -6.066 1.00 41.21 C ATOM 1053 CD PRO A 74 15.210 11.157 -4.772 1.00 12.32 C ATOM 0 HA PRO A 74 14.595 8.338 -6.056 1.00 64.14 H new ATOM 0 HB2 PRO A 74 17.366 9.487 -5.508 1.00 50.52 H new ATOM 0 HB3 PRO A 74 16.609 9.209 -7.064 1.00 50.52 H new ATOM 0 HG2 PRO A 74 16.763 11.681 -6.154 1.00 41.21 H new ATOM 0 HG3 PRO A 74 15.275 11.153 -6.915 1.00 41.21 H new ATOM 0 HD2 PRO A 74 15.881 11.468 -3.971 1.00 12.32 H new ATOM 0 HD3 PRO A 74 14.431 11.915 -4.848 1.00 12.32 H new ATOM 1061 N GLU A 75 16.126 7.806 -3.303 1.00 72.42 N ATOM 1062 CA GLU A 75 16.657 6.746 -2.468 1.00 31.31 C ATOM 1063 C GLU A 75 15.557 6.023 -1.676 1.00 45.15 C ATOM 1064 O GLU A 75 15.828 5.080 -0.930 1.00 51.12 O ATOM 1065 CB GLU A 75 17.783 7.286 -1.561 1.00 74.00 C ATOM 1066 CG GLU A 75 17.416 8.477 -0.662 1.00 13.23 C ATOM 1067 CD GLU A 75 16.447 8.127 0.443 1.00 65.50 C ATOM 1068 OE1 GLU A 75 16.861 7.497 1.424 1.00 2.24 O ATOM 1069 OE2 GLU A 75 15.239 8.502 0.354 1.00 5.43 O ATOM 0 H GLU A 75 15.962 8.687 -2.816 1.00 72.42 H new ATOM 0 HA GLU A 75 17.094 5.990 -3.121 1.00 31.31 H new ATOM 0 HB2 GLU A 75 18.132 6.472 -0.926 1.00 74.00 H new ATOM 0 HB3 GLU A 75 18.621 7.579 -2.193 1.00 74.00 H new ATOM 0 HG2 GLU A 75 18.327 8.882 -0.220 1.00 13.23 H new ATOM 0 HG3 GLU A 75 16.983 9.265 -1.277 1.00 13.23 H new ATOM 1076 N SER A 76 14.328 6.472 -1.831 1.00 22.25 N ATOM 1077 CA SER A 76 13.216 5.873 -1.140 1.00 41.02 C ATOM 1078 C SER A 76 12.762 4.655 -1.933 1.00 21.05 C ATOM 1079 O SER A 76 12.890 4.646 -3.161 1.00 11.00 O ATOM 1080 CB SER A 76 12.089 6.891 -1.017 1.00 25.12 C ATOM 1081 OG SER A 76 12.574 8.115 -0.449 1.00 64.40 O ATOM 0 H SER A 76 14.078 7.255 -2.435 1.00 22.25 H new ATOM 0 HA SER A 76 13.506 5.563 -0.136 1.00 41.02 H new ATOM 0 HB2 SER A 76 11.658 7.085 -1.999 1.00 25.12 H new ATOM 0 HB3 SER A 76 11.292 6.485 -0.394 1.00 25.12 H new ATOM 0 HG SER A 76 13.520 8.014 -0.214 1.00 64.40 H new ATOM 1087 N ASP A 77 12.286 3.631 -1.246 1.00 74.35 N ATOM 1088 CA ASP A 77 11.891 2.376 -1.893 1.00 5.33 C ATOM 1089 C ASP A 77 10.761 2.608 -2.889 1.00 53.22 C ATOM 1090 O ASP A 77 10.912 2.350 -4.080 1.00 11.35 O ATOM 1091 CB ASP A 77 11.472 1.333 -0.861 1.00 5.53 C ATOM 1092 CG ASP A 77 11.542 -0.067 -1.410 1.00 23.31 C ATOM 1093 OD1 ASP A 77 10.576 -0.537 -2.012 1.00 61.10 O ATOM 1094 OD2 ASP A 77 12.594 -0.723 -1.228 1.00 45.13 O ATOM 0 H ASP A 77 12.160 3.637 -0.234 1.00 74.35 H new ATOM 0 HA ASP A 77 12.759 1.998 -2.433 1.00 5.33 H new ATOM 0 HB2 ASP A 77 12.116 1.411 0.015 1.00 5.53 H new ATOM 0 HB3 ASP A 77 10.455 1.541 -0.528 1.00 5.53 H new ATOM 1099 N ILE A 78 9.644 3.105 -2.408 1.00 2.32 N ATOM 1100 CA ILE A 78 8.532 3.430 -3.283 1.00 24.11 C ATOM 1101 C ILE A 78 8.154 4.892 -3.129 1.00 22.54 C ATOM 1102 O ILE A 78 8.461 5.524 -2.101 1.00 53.41 O ATOM 1103 CB ILE A 78 7.268 2.534 -3.056 1.00 11.43 C ATOM 1104 CG1 ILE A 78 6.744 2.657 -1.615 1.00 50.44 C ATOM 1105 CG2 ILE A 78 7.558 1.079 -3.417 1.00 64.44 C ATOM 1106 CD1 ILE A 78 5.465 1.884 -1.342 1.00 15.50 C ATOM 0 H ILE A 78 9.478 3.294 -1.419 1.00 2.32 H new ATOM 0 HA ILE A 78 8.879 3.230 -4.297 1.00 24.11 H new ATOM 0 HB ILE A 78 6.483 2.894 -3.721 1.00 11.43 H new ATOM 0 HG12 ILE A 78 7.517 2.309 -0.930 1.00 50.44 H new ATOM 0 HG13 ILE A 78 6.572 3.710 -1.393 1.00 50.44 H new ATOM 0 HG21 ILE A 78 6.664 0.478 -3.250 1.00 64.44 H new ATOM 0 HG22 ILE A 78 7.848 1.015 -4.466 1.00 64.44 H new ATOM 0 HG23 ILE A 78 8.369 0.704 -2.793 1.00 64.44 H new ATOM 0 HD11 ILE A 78 5.168 2.027 -0.303 1.00 15.50 H new ATOM 0 HD12 ILE A 78 4.674 2.246 -1.999 1.00 15.50 H new ATOM 0 HD13 ILE A 78 5.634 0.823 -1.528 1.00 15.50 H new ATOM 1118 N PHE A 79 7.507 5.420 -4.135 1.00 42.22 N ATOM 1119 CA PHE A 79 7.068 6.797 -4.149 1.00 31.33 C ATOM 1120 C PHE A 79 5.614 6.830 -3.721 1.00 23.31 C ATOM 1121 O PHE A 79 4.797 6.095 -4.258 1.00 70.14 O ATOM 1122 CB PHE A 79 7.243 7.398 -5.558 1.00 14.14 C ATOM 1123 CG PHE A 79 8.679 7.398 -6.044 1.00 21.22 C ATOM 1124 CD1 PHE A 79 9.228 6.269 -6.643 1.00 31.05 C ATOM 1125 CD2 PHE A 79 9.479 8.516 -5.889 1.00 61.45 C ATOM 1126 CE1 PHE A 79 10.539 6.260 -7.074 1.00 51.14 C ATOM 1127 CE2 PHE A 79 10.794 8.511 -6.316 1.00 61.34 C ATOM 1128 CZ PHE A 79 11.325 7.383 -6.909 1.00 71.21 C ATOM 0 H PHE A 79 7.266 4.902 -4.980 1.00 42.22 H new ATOM 0 HA PHE A 79 7.667 7.395 -3.462 1.00 31.33 H new ATOM 0 HB2 PHE A 79 6.630 6.836 -6.262 1.00 14.14 H new ATOM 0 HB3 PHE A 79 6.869 8.422 -5.556 1.00 14.14 H new ATOM 0 HD1 PHE A 79 8.619 5.386 -6.773 1.00 31.05 H new ATOM 0 HD2 PHE A 79 9.071 9.404 -5.429 1.00 61.45 H new ATOM 0 HE1 PHE A 79 10.949 5.376 -7.540 1.00 51.14 H new ATOM 0 HE2 PHE A 79 11.407 9.391 -6.185 1.00 61.34 H new ATOM 0 HZ PHE A 79 12.352 7.379 -7.243 1.00 71.21 H new ATOM 1138 N LEU A 80 5.314 7.628 -2.732 1.00 43.44 N ATOM 1139 CA LEU A 80 4.014 7.687 -2.169 1.00 14.33 C ATOM 1140 C LEU A 80 3.304 8.984 -2.527 1.00 62.34 C ATOM 1141 O LEU A 80 2.653 9.086 -3.560 1.00 44.43 O ATOM 1142 CB LEU A 80 4.125 7.423 -0.647 1.00 24.32 C ATOM 1143 CG LEU A 80 2.879 6.947 0.129 1.00 33.10 C ATOM 1144 CD1 LEU A 80 1.765 7.975 0.170 1.00 14.21 C ATOM 1145 CD2 LEU A 80 2.374 5.615 -0.409 1.00 52.02 C ATOM 0 H LEU A 80 5.984 8.261 -2.296 1.00 43.44 H new ATOM 0 HA LEU A 80 3.380 6.909 -2.595 1.00 14.33 H new ATOM 0 HB2 LEU A 80 4.907 6.678 -0.500 1.00 24.32 H new ATOM 0 HB3 LEU A 80 4.470 8.345 -0.179 1.00 24.32 H new ATOM 0 HG LEU A 80 3.201 6.808 1.161 1.00 33.10 H new ATOM 0 HD11 LEU A 80 0.921 7.574 0.731 1.00 14.21 H new ATOM 0 HD12 LEU A 80 2.125 8.882 0.655 1.00 14.21 H new ATOM 0 HD13 LEU A 80 1.448 8.208 -0.846 1.00 14.21 H new ATOM 0 HD21 LEU A 80 1.496 5.304 0.156 1.00 52.02 H new ATOM 0 HD22 LEU A 80 2.109 5.724 -1.461 1.00 52.02 H new ATOM 0 HD23 LEU A 80 3.156 4.862 -0.308 1.00 52.02 H new ATOM 1157 N ASP A 81 3.460 9.951 -1.731 1.00 43.52 N ATOM 1158 CA ASP A 81 2.773 11.194 -1.951 1.00 62.01 C ATOM 1159 C ASP A 81 3.690 12.147 -2.661 1.00 74.23 C ATOM 1160 O ASP A 81 4.766 12.486 -2.178 1.00 63.34 O ATOM 1161 CB ASP A 81 2.245 11.801 -0.664 1.00 21.35 C ATOM 1162 CG ASP A 81 1.119 12.784 -0.931 1.00 31.35 C ATOM 1163 OD1 ASP A 81 1.293 13.722 -1.748 1.00 70.40 O ATOM 1164 OD2 ASP A 81 0.048 12.648 -0.307 1.00 71.52 O ATOM 0 H ASP A 81 4.058 9.930 -0.905 1.00 43.52 H new ATOM 0 HA ASP A 81 1.900 10.994 -2.573 1.00 62.01 H new ATOM 0 HB2 ASP A 81 1.888 11.008 -0.006 1.00 21.35 H new ATOM 0 HB3 ASP A 81 3.056 12.308 -0.141 1.00 21.35 H new ATOM 1169 N ASP A 82 3.277 12.517 -3.822 1.00 63.12 N ATOM 1170 CA ASP A 82 4.044 13.357 -4.718 1.00 3.13 C ATOM 1171 C ASP A 82 3.692 14.819 -4.574 1.00 21.12 C ATOM 1172 O ASP A 82 4.570 15.690 -4.577 1.00 43.22 O ATOM 1173 CB ASP A 82 3.754 12.913 -6.127 1.00 14.54 C ATOM 1174 CG ASP A 82 4.566 13.637 -7.177 1.00 12.12 C ATOM 1175 OD1 ASP A 82 5.704 13.218 -7.461 1.00 12.01 O ATOM 1176 OD2 ASP A 82 4.062 14.616 -7.761 1.00 53.12 O ATOM 0 H ASP A 82 2.370 12.243 -4.200 1.00 63.12 H new ATOM 0 HA ASP A 82 5.101 13.254 -4.473 1.00 3.13 H new ATOM 0 HB2 ASP A 82 3.946 11.843 -6.207 1.00 14.54 H new ATOM 0 HB3 ASP A 82 2.694 13.063 -6.334 1.00 14.54 H new ATOM 1181 N VAL A 83 2.425 15.081 -4.417 1.00 12.11 N ATOM 1182 CA VAL A 83 1.931 16.442 -4.378 1.00 10.01 C ATOM 1183 C VAL A 83 2.142 17.045 -2.994 1.00 41.22 C ATOM 1184 O VAL A 83 2.408 18.236 -2.850 1.00 45.30 O ATOM 1185 CB VAL A 83 0.428 16.529 -4.828 1.00 41.13 C ATOM 1186 CG1 VAL A 83 -0.490 15.695 -3.942 1.00 13.23 C ATOM 1187 CG2 VAL A 83 -0.051 17.971 -4.889 1.00 12.23 C ATOM 0 H VAL A 83 1.704 14.367 -4.312 1.00 12.11 H new ATOM 0 HA VAL A 83 2.505 17.030 -5.094 1.00 10.01 H new ATOM 0 HB VAL A 83 0.380 16.109 -5.833 1.00 41.13 H new ATOM 0 HG11 VAL A 83 -1.518 15.788 -4.293 1.00 13.23 H new ATOM 0 HG12 VAL A 83 -0.185 14.649 -3.984 1.00 13.23 H new ATOM 0 HG13 VAL A 83 -0.425 16.051 -2.914 1.00 13.23 H new ATOM 0 HG21 VAL A 83 -1.094 17.995 -5.204 1.00 12.23 H new ATOM 0 HG22 VAL A 83 0.041 18.427 -3.903 1.00 12.23 H new ATOM 0 HG23 VAL A 83 0.556 18.526 -5.604 1.00 12.23 H new ATOM 1197 N THR A 84 2.082 16.214 -2.004 1.00 3.43 N ATOM 1198 CA THR A 84 2.256 16.617 -0.635 1.00 32.45 C ATOM 1199 C THR A 84 3.197 15.650 0.056 1.00 62.21 C ATOM 1200 O THR A 84 2.803 14.827 0.879 1.00 12.43 O ATOM 1201 CB THR A 84 0.898 16.748 0.114 1.00 23.30 C ATOM 1202 OG1 THR A 84 0.013 15.657 -0.233 1.00 5.33 O ATOM 1203 CG2 THR A 84 0.221 18.074 -0.198 1.00 71.34 C ATOM 0 H THR A 84 1.908 15.216 -2.120 1.00 3.43 H new ATOM 0 HA THR A 84 2.701 17.612 -0.617 1.00 32.45 H new ATOM 0 HB THR A 84 1.110 16.709 1.182 1.00 23.30 H new ATOM 0 HG1 THR A 84 0.466 15.054 -0.859 1.00 5.33 H new ATOM 0 HG21 THR A 84 -0.725 18.135 0.340 1.00 71.34 H new ATOM 0 HG22 THR A 84 0.868 18.895 0.112 1.00 71.34 H new ATOM 0 HG23 THR A 84 0.034 18.144 -1.270 1.00 71.34 H new ATOM 1211 N VAL A 85 4.437 15.772 -0.276 1.00 62.05 N ATOM 1212 CA VAL A 85 5.434 14.809 0.099 1.00 44.33 C ATOM 1213 C VAL A 85 5.987 14.985 1.514 1.00 41.24 C ATOM 1214 O VAL A 85 6.417 16.069 1.916 1.00 34.25 O ATOM 1215 CB VAL A 85 6.596 14.781 -0.954 1.00 75.41 C ATOM 1216 CG1 VAL A 85 7.124 16.181 -1.239 1.00 31.00 C ATOM 1217 CG2 VAL A 85 7.741 13.894 -0.493 1.00 10.45 C ATOM 0 H VAL A 85 4.799 16.553 -0.824 1.00 62.05 H new ATOM 0 HA VAL A 85 4.922 13.847 0.108 1.00 44.33 H new ATOM 0 HB VAL A 85 6.177 14.369 -1.872 1.00 75.41 H new ATOM 0 HG11 VAL A 85 7.928 16.124 -1.973 1.00 31.00 H new ATOM 0 HG12 VAL A 85 6.318 16.801 -1.631 1.00 31.00 H new ATOM 0 HG13 VAL A 85 7.504 16.621 -0.317 1.00 31.00 H new ATOM 0 HG21 VAL A 85 8.529 13.897 -1.246 1.00 10.45 H new ATOM 0 HG22 VAL A 85 8.138 14.272 0.449 1.00 10.45 H new ATOM 0 HG23 VAL A 85 7.378 12.876 -0.351 1.00 10.45 H new ATOM 1227 N SER A 86 5.892 13.927 2.280 1.00 63.33 N ATOM 1228 CA SER A 86 6.593 13.826 3.524 1.00 42.02 C ATOM 1229 C SER A 86 7.874 13.038 3.211 1.00 25.03 C ATOM 1230 O SER A 86 7.818 12.094 2.408 1.00 23.34 O ATOM 1231 CB SER A 86 5.729 13.088 4.558 1.00 3.22 C ATOM 1232 OG SER A 86 4.483 13.768 4.762 1.00 35.12 O ATOM 0 H SER A 86 5.323 13.112 2.053 1.00 63.33 H new ATOM 0 HA SER A 86 6.824 14.803 3.947 1.00 42.02 H new ATOM 0 HB2 SER A 86 5.541 12.069 4.220 1.00 3.22 H new ATOM 0 HB3 SER A 86 6.268 13.016 5.503 1.00 3.22 H new ATOM 0 HG SER A 86 3.745 13.128 4.684 1.00 35.12 H new ATOM 1238 N ARG A 87 9.010 13.433 3.789 1.00 43.24 N ATOM 1239 CA ARG A 87 10.307 12.789 3.485 1.00 35.43 C ATOM 1240 C ARG A 87 10.276 11.280 3.750 1.00 60.55 C ATOM 1241 O ARG A 87 10.838 10.471 2.989 1.00 4.30 O ATOM 1242 CB ARG A 87 11.462 13.474 4.237 1.00 54.34 C ATOM 1243 CG ARG A 87 11.273 13.601 5.737 1.00 21.50 C ATOM 1244 CD ARG A 87 12.478 14.233 6.410 1.00 34.44 C ATOM 1245 NE ARG A 87 12.855 15.519 5.805 1.00 73.34 N ATOM 1246 CZ ARG A 87 12.650 16.724 6.350 1.00 1.04 C ATOM 1247 NH1 ARG A 87 11.897 16.855 7.444 1.00 12.50 N ATOM 1248 NH2 ARG A 87 13.158 17.800 5.777 1.00 72.12 N ATOM 0 H ARG A 87 9.067 14.192 4.468 1.00 43.24 H new ATOM 0 HA ARG A 87 10.487 12.918 2.418 1.00 35.43 H new ATOM 0 HB2 ARG A 87 12.379 12.915 4.049 1.00 54.34 H new ATOM 0 HB3 ARG A 87 11.605 14.471 3.820 1.00 54.34 H new ATOM 0 HG2 ARG A 87 10.387 14.202 5.941 1.00 21.50 H new ATOM 0 HG3 ARG A 87 11.095 12.614 6.165 1.00 21.50 H new ATOM 0 HD2 ARG A 87 12.261 14.383 7.468 1.00 34.44 H new ATOM 0 HD3 ARG A 87 13.323 13.547 6.352 1.00 34.44 H new ATOM 0 HE ARG A 87 13.311 15.490 4.893 1.00 73.34 H new ATOM 0 HH11 ARG A 87 11.472 16.032 7.872 1.00 12.50 H new ATOM 0 HH12 ARG A 87 11.747 17.778 7.852 1.00 12.50 H new ATOM 0 HH21 ARG A 87 13.705 17.712 4.921 1.00 72.12 H new ATOM 0 HH22 ARG A 87 13.003 18.719 6.191 1.00 72.12 H new ATOM 1262 N ARG A 88 9.619 10.925 4.812 1.00 63.41 N ATOM 1263 CA ARG A 88 9.361 9.568 5.170 1.00 45.15 C ATOM 1264 C ARG A 88 7.903 9.504 5.531 1.00 32.22 C ATOM 1265 O ARG A 88 7.506 9.975 6.586 1.00 4.21 O ATOM 1266 CB ARG A 88 10.230 9.117 6.356 1.00 12.13 C ATOM 1267 CG ARG A 88 11.724 9.064 6.087 1.00 1.31 C ATOM 1268 CD ARG A 88 12.046 8.143 4.924 1.00 12.41 C ATOM 1269 NE ARG A 88 13.480 7.936 4.779 1.00 53.14 N ATOM 1270 CZ ARG A 88 14.156 7.924 3.633 1.00 64.21 C ATOM 1271 NH1 ARG A 88 13.581 8.313 2.498 1.00 5.53 N ATOM 1272 NH2 ARG A 88 15.423 7.569 3.631 1.00 60.12 N ATOM 0 H ARG A 88 9.235 11.598 5.475 1.00 63.41 H new ATOM 0 HA ARG A 88 9.604 8.900 4.344 1.00 45.15 H new ATOM 0 HB2 ARG A 88 10.053 9.793 7.192 1.00 12.13 H new ATOM 0 HB3 ARG A 88 9.899 8.127 6.671 1.00 12.13 H new ATOM 0 HG2 ARG A 88 12.092 10.067 5.871 1.00 1.31 H new ATOM 0 HG3 ARG A 88 12.244 8.719 6.981 1.00 1.31 H new ATOM 0 HD2 ARG A 88 11.553 7.182 5.074 1.00 12.41 H new ATOM 0 HD3 ARG A 88 11.645 8.566 4.003 1.00 12.41 H new ATOM 0 HE ARG A 88 14.015 7.787 5.634 1.00 53.14 H new ATOM 0 HH11 ARG A 88 12.610 8.626 2.499 1.00 5.53 H new ATOM 0 HH12 ARG A 88 14.111 8.299 1.627 1.00 5.53 H new ATOM 0 HH21 ARG A 88 15.880 7.306 4.504 1.00 60.12 H new ATOM 0 HH22 ARG A 88 15.948 7.557 2.757 1.00 60.12 H new ATOM 1286 N HIS A 89 7.108 8.984 4.644 1.00 31.23 N ATOM 1287 CA HIS A 89 5.677 8.990 4.827 1.00 4.31 C ATOM 1288 C HIS A 89 5.245 7.795 5.676 1.00 24.40 C ATOM 1289 O HIS A 89 4.896 7.937 6.852 1.00 12.12 O ATOM 1290 CB HIS A 89 4.981 8.992 3.445 1.00 73.01 C ATOM 1291 CG HIS A 89 3.503 9.266 3.470 1.00 44.20 C ATOM 1292 ND1 HIS A 89 3.006 10.499 3.123 1.00 22.44 N ATOM 1293 CD2 HIS A 89 2.468 8.444 3.770 1.00 45.15 C ATOM 1294 CE1 HIS A 89 1.697 10.404 3.213 1.00 15.55 C ATOM 1295 NE2 HIS A 89 1.323 9.177 3.605 1.00 35.15 N ATOM 0 H HIS A 89 7.424 8.546 3.779 1.00 31.23 H new ATOM 0 HA HIS A 89 5.379 9.892 5.361 1.00 4.31 H new ATOM 0 HB2 HIS A 89 5.462 9.741 2.816 1.00 73.01 H new ATOM 0 HB3 HIS A 89 5.146 8.024 2.972 1.00 73.01 H new ATOM 0 HD2 HIS A 89 2.534 7.411 4.079 1.00 45.15 H new ATOM 0 HE1 HIS A 89 1.011 11.211 2.999 1.00 15.55 H new ATOM 0 HE2 HIS A 89 0.368 8.852 3.752 1.00 35.15 H new ATOM 1303 N ALA A 90 5.346 6.625 5.115 1.00 61.42 N ATOM 1304 CA ALA A 90 4.900 5.426 5.785 1.00 1.25 C ATOM 1305 C ALA A 90 5.818 4.299 5.428 1.00 53.31 C ATOM 1306 O ALA A 90 6.675 4.453 4.561 1.00 43.40 O ATOM 1307 CB ALA A 90 3.465 5.090 5.390 1.00 4.24 C ATOM 0 H ALA A 90 5.737 6.469 4.186 1.00 61.42 H new ATOM 0 HA ALA A 90 4.921 5.586 6.863 1.00 1.25 H new ATOM 0 HB1 ALA A 90 3.148 4.183 5.906 1.00 4.24 H new ATOM 0 HB2 ALA A 90 2.808 5.914 5.669 1.00 4.24 H new ATOM 0 HB3 ALA A 90 3.412 4.932 4.313 1.00 4.24 H new ATOM 1313 N GLU A 91 5.678 3.195 6.082 1.00 1.13 N ATOM 1314 CA GLU A 91 6.488 2.066 5.795 1.00 31.12 C ATOM 1315 C GLU A 91 5.673 0.797 5.964 1.00 73.34 C ATOM 1316 O GLU A 91 5.011 0.588 6.992 1.00 65.33 O ATOM 1317 CB GLU A 91 7.713 2.094 6.696 1.00 13.44 C ATOM 1318 CG GLU A 91 8.735 1.022 6.432 1.00 62.24 C ATOM 1319 CD GLU A 91 9.964 1.247 7.251 1.00 61.50 C ATOM 1320 OE1 GLU A 91 9.927 1.020 8.466 1.00 51.31 O ATOM 1321 OE2 GLU A 91 11.009 1.659 6.686 1.00 20.24 O ATOM 0 H GLU A 91 4.999 3.053 6.829 1.00 1.13 H new ATOM 0 HA GLU A 91 6.833 2.091 4.761 1.00 31.12 H new ATOM 0 HB2 GLU A 91 8.196 3.066 6.593 1.00 13.44 H new ATOM 0 HB3 GLU A 91 7.383 2.010 7.731 1.00 13.44 H new ATOM 0 HG2 GLU A 91 8.312 0.045 6.664 1.00 62.24 H new ATOM 0 HG3 GLU A 91 8.995 1.014 5.373 1.00 62.24 H new ATOM 1328 N PHE A 92 5.703 -0.021 4.950 1.00 22.04 N ATOM 1329 CA PHE A 92 4.960 -1.252 4.909 1.00 22.32 C ATOM 1330 C PHE A 92 5.939 -2.381 5.069 1.00 14.14 C ATOM 1331 O PHE A 92 6.846 -2.554 4.246 1.00 63.02 O ATOM 1332 CB PHE A 92 4.227 -1.396 3.565 1.00 72.42 C ATOM 1333 CG PHE A 92 3.269 -0.275 3.247 1.00 24.41 C ATOM 1334 CD1 PHE A 92 1.943 -0.343 3.641 1.00 11.21 C ATOM 1335 CD2 PHE A 92 3.695 0.842 2.544 1.00 30.24 C ATOM 1336 CE1 PHE A 92 1.064 0.681 3.345 1.00 62.43 C ATOM 1337 CE2 PHE A 92 2.821 1.868 2.245 1.00 2.20 C ATOM 1338 CZ PHE A 92 1.503 1.787 2.646 1.00 73.21 C ATOM 0 H PHE A 92 6.256 0.152 4.110 1.00 22.04 H new ATOM 0 HA PHE A 92 4.216 -1.264 5.705 1.00 22.32 H new ATOM 0 HB2 PHE A 92 4.967 -1.460 2.768 1.00 72.42 H new ATOM 0 HB3 PHE A 92 3.677 -2.337 3.566 1.00 72.42 H new ATOM 0 HD1 PHE A 92 1.592 -1.207 4.186 1.00 11.21 H new ATOM 0 HD2 PHE A 92 4.725 0.910 2.226 1.00 30.24 H new ATOM 0 HE1 PHE A 92 0.033 0.616 3.661 1.00 62.43 H new ATOM 0 HE2 PHE A 92 3.168 2.732 1.698 1.00 2.20 H new ATOM 0 HZ PHE A 92 0.816 2.588 2.413 1.00 73.21 H new ATOM 1348 N ARG A 93 5.799 -3.123 6.109 1.00 3.32 N ATOM 1349 CA ARG A 93 6.714 -4.181 6.372 1.00 20.11 C ATOM 1350 C ARG A 93 5.987 -5.492 6.566 1.00 0.22 C ATOM 1351 O ARG A 93 4.916 -5.554 7.190 1.00 51.12 O ATOM 1352 CB ARG A 93 7.610 -3.809 7.564 1.00 22.01 C ATOM 1353 CG ARG A 93 8.472 -4.935 8.119 1.00 61.31 C ATOM 1354 CD ARG A 93 9.456 -4.414 9.155 1.00 43.22 C ATOM 1355 NE ARG A 93 8.832 -3.452 10.073 1.00 51.23 N ATOM 1356 CZ ARG A 93 8.061 -3.730 11.123 1.00 15.24 C ATOM 1357 NH1 ARG A 93 7.847 -4.990 11.493 1.00 42.20 N ATOM 1358 NH2 ARG A 93 7.539 -2.734 11.824 1.00 35.04 N ATOM 0 H ARG A 93 5.054 -3.018 6.798 1.00 3.32 H new ATOM 0 HA ARG A 93 7.364 -4.323 5.508 1.00 20.11 H new ATOM 0 HB2 ARG A 93 8.264 -2.991 7.262 1.00 22.01 H new ATOM 0 HB3 ARG A 93 6.977 -3.431 8.367 1.00 22.01 H new ATOM 0 HG2 ARG A 93 7.835 -5.696 8.569 1.00 61.31 H new ATOM 0 HG3 ARG A 93 9.016 -5.415 7.306 1.00 61.31 H new ATOM 0 HD2 ARG A 93 9.858 -5.251 9.726 1.00 43.22 H new ATOM 0 HD3 ARG A 93 10.297 -3.939 8.649 1.00 43.22 H new ATOM 0 HE ARG A 93 9.008 -2.465 9.886 1.00 51.23 H new ATOM 0 HH11 ARG A 93 8.275 -5.755 10.971 1.00 42.20 H new ATOM 0 HH12 ARG A 93 7.255 -5.191 12.299 1.00 42.20 H new ATOM 0 HH21 ARG A 93 7.729 -1.768 11.557 1.00 35.04 H new ATOM 0 HH22 ARG A 93 6.947 -2.933 12.630 1.00 35.04 H new ATOM 1372 N ILE A 94 6.565 -6.526 6.051 1.00 5.00 N ATOM 1373 CA ILE A 94 6.003 -7.826 6.149 1.00 4.02 C ATOM 1374 C ILE A 94 6.949 -8.649 6.981 1.00 10.42 C ATOM 1375 O ILE A 94 8.159 -8.620 6.775 1.00 25.40 O ATOM 1376 CB ILE A 94 5.675 -8.455 4.721 1.00 74.54 C ATOM 1377 CG1 ILE A 94 6.902 -8.551 3.768 1.00 3.41 C ATOM 1378 CG2 ILE A 94 4.585 -7.645 4.029 1.00 63.30 C ATOM 1379 CD1 ILE A 94 7.793 -9.766 3.947 1.00 32.32 C ATOM 0 H ILE A 94 7.450 -6.489 5.546 1.00 5.00 H new ATOM 0 HA ILE A 94 5.030 -7.795 6.638 1.00 4.02 H new ATOM 0 HB ILE A 94 5.346 -9.475 4.922 1.00 74.54 H new ATOM 0 HG12 ILE A 94 6.540 -8.540 2.740 1.00 3.41 H new ATOM 0 HG13 ILE A 94 7.511 -7.657 3.901 1.00 3.41 H new ATOM 0 HG21 ILE A 94 4.369 -8.083 3.055 1.00 63.30 H new ATOM 0 HG22 ILE A 94 3.682 -7.654 4.639 1.00 63.30 H new ATOM 0 HG23 ILE A 94 4.924 -6.617 3.897 1.00 63.30 H new ATOM 0 HD11 ILE A 94 8.613 -9.725 3.230 1.00 32.32 H new ATOM 0 HD12 ILE A 94 8.197 -9.775 4.960 1.00 32.32 H new ATOM 0 HD13 ILE A 94 7.211 -10.672 3.780 1.00 32.32 H new ATOM 1391 N ASN A 95 6.432 -9.252 7.995 1.00 71.42 N ATOM 1392 CA ASN A 95 7.246 -9.971 8.925 1.00 73.04 C ATOM 1393 C ASN A 95 6.835 -11.413 8.909 1.00 22.02 C ATOM 1394 O ASN A 95 5.663 -11.723 8.671 1.00 44.10 O ATOM 1395 CB ASN A 95 7.147 -9.336 10.337 1.00 25.13 C ATOM 1396 CG ASN A 95 8.056 -9.983 11.370 1.00 12.14 C ATOM 1397 OD1 ASN A 95 9.098 -10.536 11.041 1.00 61.41 O ATOM 1398 ND2 ASN A 95 7.699 -9.870 12.624 1.00 0.04 N ATOM 0 H ASN A 95 5.434 -9.263 8.207 1.00 71.42 H new ATOM 0 HA ASN A 95 8.296 -9.914 8.637 1.00 73.04 H new ATOM 0 HB2 ASN A 95 7.391 -8.276 10.266 1.00 25.13 H new ATOM 0 HB3 ASN A 95 6.115 -9.403 10.683 1.00 25.13 H new ATOM 0 HD21 ASN A 95 8.295 -10.248 13.360 1.00 0.04 H new ATOM 0 HD22 ASN A 95 6.825 -9.404 12.865 1.00 0.04 H new ATOM 1405 N GLU A 96 7.796 -12.283 9.106 1.00 2.12 N ATOM 1406 CA GLU A 96 7.604 -13.724 9.077 1.00 21.11 C ATOM 1407 C GLU A 96 6.414 -14.218 9.908 1.00 12.23 C ATOM 1408 O GLU A 96 5.800 -15.228 9.571 1.00 42.12 O ATOM 1409 CB GLU A 96 8.929 -14.464 9.396 1.00 55.11 C ATOM 1410 CG GLU A 96 9.797 -13.853 10.522 1.00 3.21 C ATOM 1411 CD GLU A 96 9.248 -14.002 11.930 1.00 50.23 C ATOM 1412 OE1 GLU A 96 8.449 -13.162 12.377 1.00 72.23 O ATOM 1413 OE2 GLU A 96 9.652 -14.941 12.630 1.00 2.25 O ATOM 0 H GLU A 96 8.760 -12.008 9.296 1.00 2.12 H new ATOM 0 HA GLU A 96 7.324 -13.979 8.055 1.00 21.11 H new ATOM 0 HB2 GLU A 96 8.691 -15.493 9.667 1.00 55.11 H new ATOM 0 HB3 GLU A 96 9.527 -14.504 8.486 1.00 55.11 H new ATOM 0 HG2 GLU A 96 10.784 -14.314 10.486 1.00 3.21 H new ATOM 0 HG3 GLU A 96 9.933 -12.792 10.315 1.00 3.21 H new ATOM 1420 N GLY A 97 6.089 -13.506 10.959 1.00 32.22 N ATOM 1421 CA GLY A 97 4.958 -13.861 11.763 1.00 71.23 C ATOM 1422 C GLY A 97 3.691 -13.097 11.422 1.00 14.14 C ATOM 1423 O GLY A 97 2.604 -13.688 11.365 1.00 54.51 O ATOM 0 H GLY A 97 6.595 -12.678 11.273 1.00 32.22 H new ATOM 0 HA2 GLY A 97 4.767 -14.928 11.651 1.00 71.23 H new ATOM 0 HA3 GLY A 97 5.202 -13.689 12.811 1.00 71.23 H new ATOM 1427 N GLU A 98 3.811 -11.809 11.153 1.00 73.12 N ATOM 1428 CA GLU A 98 2.648 -10.969 10.983 1.00 20.10 C ATOM 1429 C GLU A 98 2.934 -9.817 10.032 1.00 20.11 C ATOM 1430 O GLU A 98 4.075 -9.573 9.661 1.00 42.33 O ATOM 1431 CB GLU A 98 2.226 -10.430 12.343 1.00 14.51 C ATOM 1432 CG GLU A 98 3.344 -9.715 13.091 1.00 63.44 C ATOM 1433 CD GLU A 98 2.935 -9.289 14.465 1.00 21.31 C ATOM 1434 OE1 GLU A 98 2.913 -10.138 15.378 1.00 52.21 O ATOM 1435 OE2 GLU A 98 2.658 -8.103 14.674 1.00 63.34 O ATOM 0 H GLU A 98 4.703 -11.326 11.048 1.00 73.12 H new ATOM 0 HA GLU A 98 1.844 -11.564 10.550 1.00 20.10 H new ATOM 0 HB2 GLU A 98 1.392 -9.741 12.208 1.00 14.51 H new ATOM 0 HB3 GLU A 98 1.862 -11.256 12.954 1.00 14.51 H new ATOM 0 HG2 GLU A 98 4.209 -10.375 13.161 1.00 63.44 H new ATOM 0 HG3 GLU A 98 3.656 -8.840 12.521 1.00 63.44 H new ATOM 1442 N PHE A 99 1.909 -9.105 9.667 1.00 22.51 N ATOM 1443 CA PHE A 99 2.038 -7.982 8.772 1.00 44.23 C ATOM 1444 C PHE A 99 1.899 -6.701 9.594 1.00 33.02 C ATOM 1445 O PHE A 99 0.954 -6.572 10.369 1.00 41.51 O ATOM 1446 CB PHE A 99 0.946 -8.058 7.687 1.00 13.10 C ATOM 1447 CG PHE A 99 0.963 -9.345 6.888 1.00 64.04 C ATOM 1448 CD1 PHE A 99 1.777 -9.475 5.782 1.00 60.05 C ATOM 1449 CD2 PHE A 99 0.164 -10.426 7.256 1.00 44.44 C ATOM 1450 CE1 PHE A 99 1.803 -10.648 5.051 1.00 2.55 C ATOM 1451 CE2 PHE A 99 0.188 -11.602 6.531 1.00 75.24 C ATOM 1452 CZ PHE A 99 1.008 -11.712 5.427 1.00 21.15 C ATOM 0 H PHE A 99 0.955 -9.283 9.980 1.00 22.51 H new ATOM 0 HA PHE A 99 3.008 -7.993 8.276 1.00 44.23 H new ATOM 0 HB2 PHE A 99 -0.030 -7.948 8.159 1.00 13.10 H new ATOM 0 HB3 PHE A 99 1.066 -7.217 7.005 1.00 13.10 H new ATOM 0 HD1 PHE A 99 2.404 -8.648 5.483 1.00 60.05 H new ATOM 0 HD2 PHE A 99 -0.481 -10.344 8.118 1.00 44.44 H new ATOM 0 HE1 PHE A 99 2.445 -10.732 4.186 1.00 2.55 H new ATOM 0 HE2 PHE A 99 -0.434 -12.433 6.828 1.00 75.24 H new ATOM 0 HZ PHE A 99 1.028 -12.629 4.858 1.00 21.15 H new ATOM 1462 N GLU A 100 2.830 -5.774 9.468 1.00 25.02 N ATOM 1463 CA GLU A 100 2.770 -4.559 10.267 1.00 70.45 C ATOM 1464 C GLU A 100 2.990 -3.311 9.411 1.00 14.54 C ATOM 1465 O GLU A 100 3.885 -3.275 8.565 1.00 53.30 O ATOM 1466 CB GLU A 100 3.764 -4.635 11.440 1.00 54.01 C ATOM 1467 CG GLU A 100 3.711 -3.443 12.387 1.00 71.31 C ATOM 1468 CD GLU A 100 4.540 -3.652 13.628 1.00 32.01 C ATOM 1469 OE1 GLU A 100 4.012 -4.180 14.617 1.00 2.13 O ATOM 1470 OE2 GLU A 100 5.732 -3.302 13.641 1.00 0.23 O ATOM 0 H GLU A 100 3.625 -5.834 8.832 1.00 25.02 H new ATOM 0 HA GLU A 100 1.767 -4.477 10.686 1.00 70.45 H new ATOM 0 HB2 GLU A 100 3.568 -5.544 12.008 1.00 54.01 H new ATOM 0 HB3 GLU A 100 4.774 -4.721 11.040 1.00 54.01 H new ATOM 0 HG2 GLU A 100 4.063 -2.553 11.865 1.00 71.31 H new ATOM 0 HG3 GLU A 100 2.676 -3.257 12.673 1.00 71.31 H new ATOM 1477 N VAL A 101 2.174 -2.305 9.624 1.00 50.55 N ATOM 1478 CA VAL A 101 2.288 -1.066 8.896 1.00 63.23 C ATOM 1479 C VAL A 101 2.596 0.064 9.875 1.00 42.42 C ATOM 1480 O VAL A 101 1.887 0.255 10.879 1.00 61.30 O ATOM 1481 CB VAL A 101 1.019 -0.758 8.019 1.00 21.01 C ATOM 1482 CG1 VAL A 101 -0.264 -0.712 8.844 1.00 74.11 C ATOM 1483 CG2 VAL A 101 1.199 0.533 7.226 1.00 43.44 C ATOM 0 H VAL A 101 1.415 -2.324 10.305 1.00 50.55 H new ATOM 0 HA VAL A 101 3.111 -1.158 8.187 1.00 63.23 H new ATOM 0 HB VAL A 101 0.917 -1.585 7.316 1.00 21.01 H new ATOM 0 HG11 VAL A 101 -1.109 -0.496 8.191 1.00 74.11 H new ATOM 0 HG12 VAL A 101 -0.418 -1.675 9.331 1.00 74.11 H new ATOM 0 HG13 VAL A 101 -0.182 0.068 9.601 1.00 74.11 H new ATOM 0 HG21 VAL A 101 0.307 0.721 6.629 1.00 43.44 H new ATOM 0 HG22 VAL A 101 1.357 1.364 7.914 1.00 43.44 H new ATOM 0 HG23 VAL A 101 2.063 0.438 6.568 1.00 43.44 H new ATOM 1493 N VAL A 102 3.687 0.743 9.643 1.00 55.34 N ATOM 1494 CA VAL A 102 4.114 1.798 10.519 1.00 70.21 C ATOM 1495 C VAL A 102 4.209 3.143 9.815 1.00 44.12 C ATOM 1496 O VAL A 102 4.638 3.235 8.658 1.00 3.02 O ATOM 1497 CB VAL A 102 5.450 1.482 11.267 1.00 11.15 C ATOM 1498 CG1 VAL A 102 5.283 0.301 12.213 1.00 54.42 C ATOM 1499 CG2 VAL A 102 6.597 1.220 10.293 1.00 23.33 C ATOM 0 H VAL A 102 4.302 0.581 8.845 1.00 55.34 H new ATOM 0 HA VAL A 102 3.329 1.864 11.272 1.00 70.21 H new ATOM 0 HB VAL A 102 5.703 2.365 11.853 1.00 11.15 H new ATOM 0 HG11 VAL A 102 6.228 0.104 12.719 1.00 54.42 H new ATOM 0 HG12 VAL A 102 4.516 0.533 12.952 1.00 54.42 H new ATOM 0 HG13 VAL A 102 4.985 -0.581 11.645 1.00 54.42 H new ATOM 0 HG21 VAL A 102 7.507 1.004 10.852 1.00 23.33 H new ATOM 0 HG22 VAL A 102 6.350 0.368 9.660 1.00 23.33 H new ATOM 0 HG23 VAL A 102 6.754 2.101 9.670 1.00 23.33 H new ATOM 1509 N ASP A 103 3.746 4.158 10.485 1.00 11.42 N ATOM 1510 CA ASP A 103 3.923 5.521 10.045 1.00 75.54 C ATOM 1511 C ASP A 103 5.281 5.972 10.498 1.00 44.44 C ATOM 1512 O ASP A 103 5.626 5.858 11.693 1.00 73.12 O ATOM 1513 CB ASP A 103 2.854 6.445 10.634 1.00 13.14 C ATOM 1514 CG ASP A 103 3.251 7.914 10.568 1.00 63.23 C ATOM 1515 OD1 ASP A 103 3.282 8.503 9.488 1.00 74.51 O ATOM 1516 OD2 ASP A 103 3.542 8.506 11.620 1.00 53.21 O ATOM 0 H ASP A 103 3.230 4.068 11.360 1.00 11.42 H new ATOM 0 HA ASP A 103 3.831 5.565 8.960 1.00 75.54 H new ATOM 0 HB2 ASP A 103 1.917 6.301 10.096 1.00 13.14 H new ATOM 0 HB3 ASP A 103 2.671 6.168 11.672 1.00 13.14 H new ATOM 1521 N VAL A 104 6.056 6.452 9.580 1.00 75.13 N ATOM 1522 CA VAL A 104 7.398 6.856 9.884 1.00 22.45 C ATOM 1523 C VAL A 104 7.504 8.400 9.924 1.00 41.31 C ATOM 1524 O VAL A 104 8.575 8.975 10.180 1.00 55.21 O ATOM 1525 CB VAL A 104 8.418 6.170 8.905 1.00 51.45 C ATOM 1526 CG1 VAL A 104 8.145 6.524 7.465 1.00 11.41 C ATOM 1527 CG2 VAL A 104 9.879 6.426 9.287 1.00 25.11 C ATOM 0 H VAL A 104 5.784 6.576 8.605 1.00 75.13 H new ATOM 0 HA VAL A 104 7.667 6.512 10.882 1.00 22.45 H new ATOM 0 HB VAL A 104 8.260 5.097 9.011 1.00 51.45 H new ATOM 0 HG11 VAL A 104 8.874 6.028 6.824 1.00 11.41 H new ATOM 0 HG12 VAL A 104 7.141 6.197 7.194 1.00 11.41 H new ATOM 0 HG13 VAL A 104 8.222 7.603 7.335 1.00 11.41 H new ATOM 0 HG21 VAL A 104 10.534 5.927 8.574 1.00 25.11 H new ATOM 0 HG22 VAL A 104 10.076 7.498 9.272 1.00 25.11 H new ATOM 0 HG23 VAL A 104 10.067 6.036 10.287 1.00 25.11 H new ATOM 1537 N GLY A 105 6.384 9.069 9.719 1.00 0.44 N ATOM 1538 CA GLY A 105 6.377 10.505 9.843 1.00 70.31 C ATOM 1539 C GLY A 105 5.618 11.203 8.747 1.00 32.24 C ATOM 1540 O GLY A 105 6.078 12.231 8.224 1.00 33.43 O ATOM 0 H GLY A 105 5.489 8.648 9.471 1.00 0.44 H new ATOM 0 HA2 GLY A 105 5.941 10.776 10.804 1.00 70.31 H new ATOM 0 HA3 GLY A 105 7.406 10.866 9.847 1.00 70.31 H new ATOM 1544 N SER A 106 4.475 10.677 8.382 1.00 42.54 N ATOM 1545 CA SER A 106 3.678 11.299 7.368 1.00 51.54 C ATOM 1546 C SER A 106 3.017 12.550 7.930 1.00 4.01 C ATOM 1547 O SER A 106 2.336 12.497 8.960 1.00 24.40 O ATOM 1548 CB SER A 106 2.634 10.315 6.810 1.00 53.33 C ATOM 1549 OG SER A 106 1.788 9.798 7.824 1.00 3.23 O ATOM 0 H SER A 106 4.081 9.822 8.774 1.00 42.54 H new ATOM 0 HA SER A 106 4.323 11.591 6.539 1.00 51.54 H new ATOM 0 HB2 SER A 106 2.029 10.819 6.057 1.00 53.33 H new ATOM 0 HB3 SER A 106 3.144 9.492 6.310 1.00 53.33 H new ATOM 0 HG SER A 106 2.279 9.134 8.352 1.00 3.23 H new ATOM 1555 N LEU A 107 3.229 13.669 7.279 1.00 71.22 N ATOM 1556 CA LEU A 107 2.658 14.917 7.720 1.00 43.11 C ATOM 1557 C LEU A 107 1.191 14.972 7.313 1.00 54.23 C ATOM 1558 O LEU A 107 0.373 15.626 7.953 1.00 65.34 O ATOM 1559 CB LEU A 107 3.436 16.090 7.119 1.00 73.44 C ATOM 1560 CG LEU A 107 3.020 17.493 7.573 1.00 25.04 C ATOM 1561 CD1 LEU A 107 3.238 17.670 9.073 1.00 4.24 C ATOM 1562 CD2 LEU A 107 3.775 18.553 6.788 1.00 60.42 C ATOM 0 H LEU A 107 3.798 13.739 6.435 1.00 71.22 H new ATOM 0 HA LEU A 107 2.724 14.988 8.806 1.00 43.11 H new ATOM 0 HB2 LEU A 107 4.492 15.955 7.354 1.00 73.44 H new ATOM 0 HB3 LEU A 107 3.342 16.041 6.034 1.00 73.44 H new ATOM 0 HG LEU A 107 1.955 17.613 7.374 1.00 25.04 H new ATOM 0 HD11 LEU A 107 2.935 18.674 9.369 1.00 4.24 H new ATOM 0 HD12 LEU A 107 2.642 16.936 9.616 1.00 4.24 H new ATOM 0 HD13 LEU A 107 4.293 17.526 9.307 1.00 4.24 H new ATOM 0 HD21 LEU A 107 3.467 19.543 7.124 1.00 60.42 H new ATOM 0 HD22 LEU A 107 4.846 18.432 6.950 1.00 60.42 H new ATOM 0 HD23 LEU A 107 3.555 18.445 5.726 1.00 60.42 H new ATOM 1574 N ASN A 108 0.865 14.244 6.258 1.00 43.54 N ATOM 1575 CA ASN A 108 -0.512 14.182 5.769 1.00 5.52 C ATOM 1576 C ASN A 108 -1.344 13.282 6.652 1.00 14.53 C ATOM 1577 O ASN A 108 -2.574 13.406 6.705 1.00 41.32 O ATOM 1578 CB ASN A 108 -0.589 13.672 4.326 1.00 44.11 C ATOM 1579 CG ASN A 108 0.109 14.553 3.320 1.00 33.14 C ATOM 1580 OD1 ASN A 108 0.246 15.767 3.510 1.00 34.32 O ATOM 1581 ND2 ASN A 108 0.521 13.975 2.235 1.00 40.53 N ATOM 0 H ASN A 108 1.530 13.687 5.721 1.00 43.54 H new ATOM 0 HA ASN A 108 -0.903 15.199 5.795 1.00 5.52 H new ATOM 0 HB2 ASN A 108 -0.154 12.674 4.282 1.00 44.11 H new ATOM 0 HB3 ASN A 108 -1.637 13.575 4.042 1.00 44.11 H new ATOM 0 HD21 ASN A 108 0.975 14.524 1.505 1.00 40.53 H new ATOM 0 HD22 ASN A 108 0.392 12.971 2.111 1.00 40.53 H new ATOM 1588 N GLY A 109 -0.668 12.377 7.339 1.00 13.14 N ATOM 1589 CA GLY A 109 -1.335 11.467 8.220 1.00 63.31 C ATOM 1590 C GLY A 109 -1.651 10.139 7.563 1.00 4.54 C ATOM 1591 O GLY A 109 -2.138 10.094 6.418 1.00 22.51 O ATOM 0 H GLY A 109 0.345 12.262 7.295 1.00 13.14 H new ATOM 0 HA2 GLY A 109 -0.711 11.294 9.097 1.00 63.31 H new ATOM 0 HA3 GLY A 109 -2.261 11.922 8.572 1.00 63.31 H new ATOM 1595 N THR A 110 -1.339 9.076 8.245 1.00 1.21 N ATOM 1596 CA THR A 110 -1.671 7.760 7.793 1.00 74.52 C ATOM 1597 C THR A 110 -2.781 7.203 8.697 1.00 62.41 C ATOM 1598 O THR A 110 -2.624 7.110 9.923 1.00 63.14 O ATOM 1599 CB THR A 110 -0.423 6.852 7.799 1.00 55.45 C ATOM 1600 OG1 THR A 110 0.589 7.459 6.975 1.00 24.21 O ATOM 1601 CG2 THR A 110 -0.744 5.468 7.246 1.00 62.50 C ATOM 0 H THR A 110 -0.844 9.100 9.136 1.00 1.21 H new ATOM 0 HA THR A 110 -2.031 7.795 6.765 1.00 74.52 H new ATOM 0 HB THR A 110 -0.077 6.740 8.827 1.00 55.45 H new ATOM 0 HG1 THR A 110 0.904 8.285 7.399 1.00 24.21 H new ATOM 0 HG21 THR A 110 0.155 4.852 7.263 1.00 62.50 H new ATOM 0 HG22 THR A 110 -1.516 5.001 7.858 1.00 62.50 H new ATOM 0 HG23 THR A 110 -1.101 5.560 6.220 1.00 62.50 H new ATOM 1609 N TYR A 111 -3.907 6.888 8.110 1.00 51.11 N ATOM 1610 CA TYR A 111 -5.053 6.436 8.866 1.00 11.05 C ATOM 1611 C TYR A 111 -5.516 5.100 8.322 1.00 53.32 C ATOM 1612 O TYR A 111 -5.493 4.890 7.120 1.00 45.42 O ATOM 1613 CB TYR A 111 -6.218 7.450 8.735 1.00 31.43 C ATOM 1614 CG TYR A 111 -5.854 8.893 9.049 1.00 55.03 C ATOM 1615 CD1 TYR A 111 -5.904 9.379 10.343 1.00 64.05 C ATOM 1616 CD2 TYR A 111 -5.459 9.766 8.037 1.00 64.32 C ATOM 1617 CE1 TYR A 111 -5.564 10.692 10.630 1.00 4.21 C ATOM 1618 CE2 TYR A 111 -5.120 11.075 8.314 1.00 24.14 C ATOM 1619 CZ TYR A 111 -5.176 11.533 9.611 1.00 22.21 C ATOM 1620 OH TYR A 111 -4.832 12.838 9.893 1.00 43.10 O ATOM 0 H TYR A 111 -4.058 6.936 7.102 1.00 51.11 H new ATOM 0 HA TYR A 111 -4.767 6.344 9.914 1.00 11.05 H new ATOM 0 HB2 TYR A 111 -6.608 7.403 7.718 1.00 31.43 H new ATOM 0 HB3 TYR A 111 -7.024 7.142 9.400 1.00 31.43 H new ATOM 0 HD1 TYR A 111 -6.213 8.724 11.144 1.00 64.05 H new ATOM 0 HD2 TYR A 111 -5.417 9.412 7.018 1.00 64.32 H new ATOM 0 HE1 TYR A 111 -5.603 11.053 11.647 1.00 4.21 H new ATOM 0 HE2 TYR A 111 -4.812 11.736 7.517 1.00 24.14 H new ATOM 0 HH TYR A 111 -4.581 13.297 9.064 1.00 43.10 H new ATOM 1630 N VAL A 112 -5.929 4.204 9.181 1.00 31.31 N ATOM 1631 CA VAL A 112 -6.481 2.954 8.710 1.00 32.04 C ATOM 1632 C VAL A 112 -7.989 3.048 8.742 1.00 43.41 C ATOM 1633 O VAL A 112 -8.604 3.153 9.810 1.00 42.31 O ATOM 1634 CB VAL A 112 -5.949 1.687 9.453 1.00 3.24 C ATOM 1635 CG1 VAL A 112 -4.459 1.517 9.197 1.00 62.04 C ATOM 1636 CG2 VAL A 112 -6.219 1.753 10.950 1.00 33.15 C ATOM 0 H VAL A 112 -5.896 4.310 10.195 1.00 31.31 H new ATOM 0 HA VAL A 112 -6.138 2.810 7.685 1.00 32.04 H new ATOM 0 HB VAL A 112 -6.485 0.824 9.059 1.00 3.24 H new ATOM 0 HG11 VAL A 112 -4.099 0.631 9.720 1.00 62.04 H new ATOM 0 HG12 VAL A 112 -4.284 1.403 8.127 1.00 62.04 H new ATOM 0 HG13 VAL A 112 -3.925 2.395 9.561 1.00 62.04 H new ATOM 0 HG21 VAL A 112 -5.834 0.853 11.429 1.00 33.15 H new ATOM 0 HG22 VAL A 112 -5.724 2.628 11.371 1.00 33.15 H new ATOM 0 HG23 VAL A 112 -7.293 1.825 11.123 1.00 33.15 H new ATOM 1646 N ASN A 113 -8.560 3.065 7.560 1.00 30.44 N ATOM 1647 CA ASN A 113 -9.980 3.301 7.308 1.00 70.43 C ATOM 1648 C ASN A 113 -10.327 4.743 7.711 1.00 4.13 C ATOM 1649 O ASN A 113 -10.411 5.635 6.861 1.00 43.43 O ATOM 1650 CB ASN A 113 -10.887 2.292 8.035 1.00 44.23 C ATOM 1651 CG ASN A 113 -12.270 2.226 7.436 1.00 1.52 C ATOM 1652 OD1 ASN A 113 -13.157 3.013 7.774 1.00 34.52 O ATOM 1653 ND2 ASN A 113 -12.479 1.261 6.578 1.00 64.52 N ATOM 0 H ASN A 113 -8.031 2.908 6.702 1.00 30.44 H new ATOM 0 HA ASN A 113 -10.164 3.159 6.243 1.00 70.43 H new ATOM 0 HB2 ASN A 113 -10.430 1.303 7.997 1.00 44.23 H new ATOM 0 HB3 ASN A 113 -10.962 2.568 9.087 1.00 44.23 H new ATOM 0 HD21 ASN A 113 -13.403 1.139 6.163 1.00 64.52 H new ATOM 0 HD22 ASN A 113 -11.718 0.631 6.324 1.00 64.52 H new ATOM 1660 N ARG A 114 -10.454 4.968 9.013 1.00 24.44 N ATOM 1661 CA ARG A 114 -10.718 6.281 9.598 1.00 0.22 C ATOM 1662 C ARG A 114 -10.031 6.391 10.971 1.00 31.53 C ATOM 1663 O ARG A 114 -10.249 7.342 11.706 1.00 32.31 O ATOM 1664 CB ARG A 114 -12.241 6.547 9.756 1.00 21.54 C ATOM 1665 CG ARG A 114 -13.027 6.698 8.447 1.00 61.44 C ATOM 1666 CD ARG A 114 -12.495 7.860 7.612 1.00 22.35 C ATOM 1667 NE ARG A 114 -13.208 8.017 6.336 1.00 62.14 N ATOM 1668 CZ ARG A 114 -12.613 8.104 5.134 1.00 33.21 C ATOM 1669 NH1 ARG A 114 -11.338 7.759 5.001 1.00 31.50 N ATOM 1670 NH2 ARG A 114 -13.317 8.445 4.065 1.00 41.24 N ATOM 0 H ARG A 114 -10.375 4.227 9.709 1.00 24.44 H new ATOM 0 HA ARG A 114 -10.314 7.032 8.919 1.00 0.22 H new ATOM 0 HB2 ARG A 114 -12.677 5.728 10.328 1.00 21.54 H new ATOM 0 HB3 ARG A 114 -12.374 7.454 10.345 1.00 21.54 H new ATOM 0 HG2 ARG A 114 -12.961 5.774 7.872 1.00 61.44 H new ATOM 0 HG3 ARG A 114 -14.082 6.860 8.670 1.00 61.44 H new ATOM 0 HD2 ARG A 114 -12.579 8.783 8.186 1.00 22.35 H new ATOM 0 HD3 ARG A 114 -11.435 7.704 7.414 1.00 22.35 H new ATOM 0 HE ARG A 114 -14.227 8.063 6.365 1.00 62.14 H new ATOM 0 HH11 ARG A 114 -10.812 7.429 5.810 1.00 31.50 H new ATOM 0 HH12 ARG A 114 -10.884 7.824 4.090 1.00 31.50 H new ATOM 0 HH21 ARG A 114 -14.314 8.643 4.153 1.00 41.24 H new ATOM 0 HH22 ARG A 114 -12.862 8.510 3.154 1.00 41.24 H new ATOM 1684 N GLU A 115 -9.177 5.431 11.289 1.00 10.43 N ATOM 1685 CA GLU A 115 -8.518 5.385 12.591 1.00 70.43 C ATOM 1686 C GLU A 115 -7.086 5.924 12.490 1.00 70.23 C ATOM 1687 O GLU A 115 -6.292 5.411 11.685 1.00 33.54 O ATOM 1688 CB GLU A 115 -8.453 3.937 13.090 1.00 61.43 C ATOM 1689 CG GLU A 115 -9.793 3.224 13.160 1.00 42.30 C ATOM 1690 CD GLU A 115 -10.755 3.888 14.102 1.00 43.53 C ATOM 1691 OE1 GLU A 115 -10.615 3.730 15.328 1.00 60.42 O ATOM 1692 OE2 GLU A 115 -11.680 4.582 13.636 1.00 51.31 O ATOM 0 H GLU A 115 -8.921 4.668 10.662 1.00 10.43 H new ATOM 0 HA GLU A 115 -9.093 6.000 13.283 1.00 70.43 H new ATOM 0 HB2 GLU A 115 -7.791 3.371 12.434 1.00 61.43 H new ATOM 0 HB3 GLU A 115 -8.002 3.930 14.082 1.00 61.43 H new ATOM 0 HG2 GLU A 115 -10.233 3.188 12.163 1.00 42.30 H new ATOM 0 HG3 GLU A 115 -9.635 2.193 13.476 1.00 42.30 H new ATOM 1699 N PRO A 116 -6.734 6.972 13.262 1.00 30.44 N ATOM 1700 CA PRO A 116 -5.361 7.486 13.316 1.00 11.02 C ATOM 1701 C PRO A 116 -4.453 6.490 14.026 1.00 73.42 C ATOM 1702 O PRO A 116 -4.616 6.221 15.220 1.00 71.24 O ATOM 1703 CB PRO A 116 -5.475 8.783 14.142 1.00 11.11 C ATOM 1704 CG PRO A 116 -6.938 9.077 14.215 1.00 34.24 C ATOM 1705 CD PRO A 116 -7.633 7.751 14.126 1.00 52.31 C ATOM 0 HA PRO A 116 -4.937 7.653 12.326 1.00 11.02 H new ATOM 0 HB2 PRO A 116 -5.050 8.654 15.137 1.00 11.11 H new ATOM 0 HB3 PRO A 116 -4.933 9.601 13.667 1.00 11.11 H new ATOM 0 HG2 PRO A 116 -7.187 9.586 15.146 1.00 34.24 H new ATOM 0 HG3 PRO A 116 -7.245 9.733 13.401 1.00 34.24 H new ATOM 0 HD2 PRO A 116 -7.752 7.290 15.106 1.00 52.31 H new ATOM 0 HD3 PRO A 116 -8.629 7.844 13.694 1.00 52.31 H new ATOM 1713 N ARG A 117 -3.537 5.916 13.294 1.00 55.05 N ATOM 1714 CA ARG A 117 -2.648 4.909 13.819 1.00 11.14 C ATOM 1715 C ARG A 117 -1.264 5.144 13.299 1.00 32.52 C ATOM 1716 O ARG A 117 -1.051 5.144 12.088 1.00 31.15 O ATOM 1717 CB ARG A 117 -3.111 3.509 13.391 1.00 12.03 C ATOM 1718 CG ARG A 117 -4.420 3.039 14.009 1.00 40.34 C ATOM 1719 CD ARG A 117 -4.273 2.708 15.490 1.00 61.34 C ATOM 1720 NE ARG A 117 -3.321 1.598 15.726 1.00 0.43 N ATOM 1721 CZ ARG A 117 -3.600 0.473 16.407 1.00 32.23 C ATOM 1722 NH1 ARG A 117 -4.856 0.178 16.729 1.00 72.05 N ATOM 1723 NH2 ARG A 117 -2.622 -0.390 16.694 1.00 24.02 N ATOM 0 H ARG A 117 -3.384 6.134 12.309 1.00 55.05 H new ATOM 0 HA ARG A 117 -2.655 4.971 14.907 1.00 11.14 H new ATOM 0 HB2 ARG A 117 -3.215 3.495 12.306 1.00 12.03 H new ATOM 0 HB3 ARG A 117 -2.330 2.792 13.646 1.00 12.03 H new ATOM 0 HG2 ARG A 117 -5.177 3.814 13.885 1.00 40.34 H new ATOM 0 HG3 ARG A 117 -4.776 2.158 13.475 1.00 40.34 H new ATOM 0 HD2 ARG A 117 -3.934 3.594 16.026 1.00 61.34 H new ATOM 0 HD3 ARG A 117 -5.248 2.441 15.899 1.00 61.34 H new ATOM 0 HE ARG A 117 -2.381 1.695 15.342 1.00 0.43 H new ATOM 0 HH11 ARG A 117 -5.613 0.806 16.459 1.00 72.05 H new ATOM 0 HH12 ARG A 117 -5.063 -0.677 17.246 1.00 72.05 H new ATOM 0 HH21 ARG A 117 -1.666 -0.195 16.397 1.00 24.02 H new ATOM 0 HH22 ARG A 117 -2.831 -1.244 17.211 1.00 24.02 H new ATOM 1737 N ASN A 118 -0.327 5.359 14.190 1.00 43.14 N ATOM 1738 CA ASN A 118 1.048 5.521 13.767 1.00 50.24 C ATOM 1739 C ASN A 118 1.694 4.163 13.654 1.00 24.02 C ATOM 1740 O ASN A 118 2.699 3.987 12.972 1.00 63.44 O ATOM 1741 CB ASN A 118 1.846 6.467 14.668 1.00 71.10 C ATOM 1742 CG ASN A 118 1.331 7.898 14.622 1.00 75.24 C ATOM 1743 OD1 ASN A 118 0.459 8.277 15.402 1.00 52.34 O ATOM 1744 ND2 ASN A 118 1.850 8.705 13.732 1.00 41.33 N ATOM 0 H ASN A 118 -0.483 5.426 15.196 1.00 43.14 H new ATOM 0 HA ASN A 118 1.048 6.000 12.788 1.00 50.24 H new ATOM 0 HB2 ASN A 118 1.806 6.104 15.695 1.00 71.10 H new ATOM 0 HB3 ASN A 118 2.893 6.452 14.366 1.00 71.10 H new ATOM 0 HD21 ASN A 118 1.532 9.673 13.674 1.00 41.33 H new ATOM 0 HD22 ASN A 118 2.572 8.366 13.096 1.00 41.33 H new ATOM 1751 N ALA A 119 1.133 3.199 14.341 1.00 73.51 N ATOM 1752 CA ALA A 119 1.508 1.828 14.139 1.00 14.21 C ATOM 1753 C ALA A 119 0.233 1.037 14.116 1.00 60.30 C ATOM 1754 O ALA A 119 -0.677 1.299 14.915 1.00 54.11 O ATOM 1755 CB ALA A 119 2.419 1.346 15.265 1.00 70.32 C ATOM 0 H ALA A 119 0.412 3.343 15.048 1.00 73.51 H new ATOM 0 HA ALA A 119 2.062 1.707 13.208 1.00 14.21 H new ATOM 0 HB1 ALA A 119 2.691 0.305 15.092 1.00 70.32 H new ATOM 0 HB2 ALA A 119 3.321 1.957 15.290 1.00 70.32 H new ATOM 0 HB3 ALA A 119 1.896 1.431 16.218 1.00 70.32 H new ATOM 1761 N GLN A 120 0.130 0.130 13.197 1.00 32.41 N ATOM 1762 CA GLN A 120 -1.041 -0.687 13.073 1.00 40.32 C ATOM 1763 C GLN A 120 -0.645 -2.091 12.673 1.00 12.33 C ATOM 1764 O GLN A 120 0.401 -2.284 12.025 1.00 73.51 O ATOM 1765 CB GLN A 120 -2.006 -0.072 12.054 1.00 24.34 C ATOM 1766 CG GLN A 120 -3.462 -0.039 12.514 1.00 61.44 C ATOM 1767 CD GLN A 120 -4.115 -1.390 12.644 1.00 50.34 C ATOM 1768 OE1 GLN A 120 -4.053 -2.029 13.693 1.00 70.11 O ATOM 1769 NE2 GLN A 120 -4.783 -1.821 11.606 1.00 74.31 N ATOM 0 H GLN A 120 0.856 -0.067 12.508 1.00 32.41 H new ATOM 0 HA GLN A 120 -1.553 -0.736 14.034 1.00 40.32 H new ATOM 0 HB2 GLN A 120 -1.683 0.945 11.832 1.00 24.34 H new ATOM 0 HB3 GLN A 120 -1.943 -0.636 11.124 1.00 24.34 H new ATOM 0 HG2 GLN A 120 -3.512 0.467 13.478 1.00 61.44 H new ATOM 0 HG3 GLN A 120 -4.037 0.561 11.809 1.00 61.44 H new ATOM 0 HE21 GLN A 120 -4.813 -1.264 10.752 1.00 74.31 H new ATOM 0 HE22 GLN A 120 -5.274 -2.714 11.650 1.00 74.31 H new ATOM 1778 N VAL A 121 -1.419 -3.059 13.057 1.00 61.24 N ATOM 1779 CA VAL A 121 -1.212 -4.381 12.550 1.00 63.23 C ATOM 1780 C VAL A 121 -1.843 -4.378 11.155 1.00 22.00 C ATOM 1781 O VAL A 121 -2.995 -3.983 10.978 1.00 1.40 O ATOM 1782 CB VAL A 121 -1.813 -5.500 13.485 1.00 31.43 C ATOM 1783 CG1 VAL A 121 -3.312 -5.334 13.721 1.00 1.53 C ATOM 1784 CG2 VAL A 121 -1.503 -6.891 12.942 1.00 3.05 C ATOM 0 H VAL A 121 -2.193 -2.961 13.714 1.00 61.24 H new ATOM 0 HA VAL A 121 -0.151 -4.626 12.509 1.00 63.23 H new ATOM 0 HB VAL A 121 -1.328 -5.385 14.454 1.00 31.43 H new ATOM 0 HG11 VAL A 121 -3.669 -6.133 14.371 1.00 1.53 H new ATOM 0 HG12 VAL A 121 -3.501 -4.370 14.193 1.00 1.53 H new ATOM 0 HG13 VAL A 121 -3.838 -5.381 12.767 1.00 1.53 H new ATOM 0 HG21 VAL A 121 -1.929 -7.644 13.605 1.00 3.05 H new ATOM 0 HG22 VAL A 121 -1.935 -6.998 11.947 1.00 3.05 H new ATOM 0 HG23 VAL A 121 -0.423 -7.027 12.885 1.00 3.05 H new ATOM 1794 N MET A 122 -1.068 -4.719 10.170 1.00 14.51 N ATOM 1795 CA MET A 122 -1.497 -4.556 8.809 1.00 71.42 C ATOM 1796 C MET A 122 -2.535 -5.599 8.453 1.00 44.35 C ATOM 1797 O MET A 122 -2.258 -6.803 8.430 1.00 2.55 O ATOM 1798 CB MET A 122 -0.288 -4.511 7.865 1.00 24.43 C ATOM 1799 CG MET A 122 -0.601 -4.175 6.418 1.00 74.12 C ATOM 1800 SD MET A 122 0.872 -3.644 5.500 1.00 42.23 S ATOM 1801 CE MET A 122 1.969 -5.044 5.705 1.00 2.35 C ATOM 0 H MET A 122 -0.134 -5.113 10.281 1.00 14.51 H new ATOM 0 HA MET A 122 -1.996 -3.594 8.688 1.00 71.42 H new ATOM 0 HB2 MET A 122 0.421 -3.776 8.245 1.00 24.43 H new ATOM 0 HB3 MET A 122 0.211 -5.480 7.895 1.00 24.43 H new ATOM 0 HG2 MET A 122 -1.035 -5.048 5.930 1.00 74.12 H new ATOM 0 HG3 MET A 122 -1.351 -3.385 6.385 1.00 74.12 H new ATOM 0 HE1 MET A 122 2.896 -4.863 5.160 1.00 2.35 H new ATOM 0 HE2 MET A 122 2.191 -5.180 6.763 1.00 2.35 H new ATOM 0 HE3 MET A 122 1.489 -5.942 5.316 1.00 2.35 H new ATOM 1811 N GLN A 123 -3.721 -5.107 8.183 1.00 55.05 N ATOM 1812 CA GLN A 123 -4.889 -5.911 7.979 1.00 50.14 C ATOM 1813 C GLN A 123 -5.213 -5.984 6.511 1.00 21.05 C ATOM 1814 O GLN A 123 -5.163 -4.977 5.792 1.00 13.35 O ATOM 1815 CB GLN A 123 -6.070 -5.264 8.719 1.00 23.11 C ATOM 1816 CG GLN A 123 -7.419 -5.947 8.500 1.00 72.41 C ATOM 1817 CD GLN A 123 -8.572 -5.138 9.049 1.00 21.02 C ATOM 1818 OE1 GLN A 123 -8.431 -4.411 10.039 1.00 51.10 O ATOM 1819 NE2 GLN A 123 -9.711 -5.229 8.408 1.00 41.34 N ATOM 0 H GLN A 123 -3.898 -4.106 8.098 1.00 55.05 H new ATOM 0 HA GLN A 123 -4.707 -6.917 8.357 1.00 50.14 H new ATOM 0 HB2 GLN A 123 -5.851 -5.258 9.787 1.00 23.11 H new ATOM 0 HB3 GLN A 123 -6.151 -4.224 8.404 1.00 23.11 H new ATOM 0 HG2 GLN A 123 -7.570 -6.112 7.433 1.00 72.41 H new ATOM 0 HG3 GLN A 123 -7.408 -6.928 8.976 1.00 72.41 H new ATOM 0 HE21 GLN A 123 -9.791 -5.839 7.595 1.00 41.34 H new ATOM 0 HE22 GLN A 123 -10.518 -4.690 8.722 1.00 41.34 H new ATOM 1828 N THR A 124 -5.545 -7.151 6.084 1.00 42.25 N ATOM 1829 CA THR A 124 -5.902 -7.404 4.743 1.00 63.35 C ATOM 1830 C THR A 124 -7.410 -7.180 4.563 1.00 32.44 C ATOM 1831 O THR A 124 -8.224 -7.759 5.287 1.00 2.41 O ATOM 1832 CB THR A 124 -5.509 -8.856 4.381 1.00 23.33 C ATOM 1833 OG1 THR A 124 -6.086 -9.774 5.331 1.00 54.43 O ATOM 1834 CG2 THR A 124 -3.991 -9.019 4.405 1.00 63.15 C ATOM 0 H THR A 124 -5.575 -7.978 6.681 1.00 42.25 H new ATOM 0 HA THR A 124 -5.374 -6.722 4.077 1.00 63.35 H new ATOM 0 HB THR A 124 -5.883 -9.071 3.380 1.00 23.33 H new ATOM 0 HG1 THR A 124 -6.994 -9.483 5.557 1.00 54.43 H new ATOM 0 HG21 THR A 124 -3.731 -10.046 4.148 1.00 63.15 H new ATOM 0 HG22 THR A 124 -3.541 -8.339 3.682 1.00 63.15 H new ATOM 0 HG23 THR A 124 -3.616 -8.788 5.402 1.00 63.15 H new ATOM 1842 N GLY A 125 -7.770 -6.297 3.667 1.00 23.31 N ATOM 1843 CA GLY A 125 -9.160 -6.057 3.386 1.00 20.24 C ATOM 1844 C GLY A 125 -9.554 -4.625 3.633 1.00 31.42 C ATOM 1845 O GLY A 125 -10.442 -4.091 2.956 1.00 73.40 O ATOM 0 H GLY A 125 -7.119 -5.733 3.120 1.00 23.31 H new ATOM 0 HA2 GLY A 125 -9.368 -6.315 2.348 1.00 20.24 H new ATOM 0 HA3 GLY A 125 -9.772 -6.712 4.006 1.00 20.24 H new ATOM 1849 N ASP A 126 -8.876 -3.982 4.556 1.00 12.35 N ATOM 1850 CA ASP A 126 -9.228 -2.626 4.948 1.00 11.11 C ATOM 1851 C ASP A 126 -8.405 -1.638 4.124 1.00 12.14 C ATOM 1852 O ASP A 126 -7.390 -2.021 3.507 1.00 0.20 O ATOM 1853 CB ASP A 126 -8.975 -2.432 6.456 1.00 22.15 C ATOM 1854 CG ASP A 126 -9.658 -1.205 7.055 1.00 41.54 C ATOM 1855 OD1 ASP A 126 -10.345 -0.456 6.321 1.00 62.40 O ATOM 1856 OD2 ASP A 126 -9.549 -1.010 8.294 1.00 31.12 O ATOM 0 H ASP A 126 -8.075 -4.372 5.053 1.00 12.35 H new ATOM 0 HA ASP A 126 -10.286 -2.448 4.758 1.00 11.11 H new ATOM 0 HB2 ASP A 126 -9.318 -3.320 6.987 1.00 22.15 H new ATOM 0 HB3 ASP A 126 -7.901 -2.354 6.625 1.00 22.15 H new ATOM 1861 N GLU A 127 -8.811 -0.393 4.110 1.00 4.30 N ATOM 1862 CA GLU A 127 -8.145 0.582 3.296 1.00 12.11 C ATOM 1863 C GLU A 127 -7.347 1.570 4.128 1.00 34.42 C ATOM 1864 O GLU A 127 -7.809 2.091 5.140 1.00 62.21 O ATOM 1865 CB GLU A 127 -9.090 1.286 2.296 1.00 31.22 C ATOM 1866 CG GLU A 127 -10.215 2.125 2.888 1.00 20.12 C ATOM 1867 CD GLU A 127 -10.976 2.868 1.804 1.00 33.44 C ATOM 1868 OE1 GLU A 127 -10.408 3.797 1.194 1.00 11.33 O ATOM 1869 OE2 GLU A 127 -12.160 2.542 1.533 1.00 10.32 O ATOM 0 H GLU A 127 -9.597 -0.035 4.653 1.00 4.30 H new ATOM 0 HA GLU A 127 -7.430 0.028 2.687 1.00 12.11 H new ATOM 0 HB2 GLU A 127 -8.488 1.930 1.655 1.00 31.22 H new ATOM 0 HB3 GLU A 127 -9.535 0.525 1.656 1.00 31.22 H new ATOM 0 HG2 GLU A 127 -10.900 1.482 3.441 1.00 20.12 H new ATOM 0 HG3 GLU A 127 -9.803 2.839 3.601 1.00 20.12 H new ATOM 1876 N ILE A 128 -6.160 1.819 3.691 1.00 34.14 N ATOM 1877 CA ILE A 128 -5.251 2.697 4.347 1.00 43.22 C ATOM 1878 C ILE A 128 -5.323 4.053 3.664 1.00 65.34 C ATOM 1879 O ILE A 128 -5.118 4.170 2.445 1.00 22.33 O ATOM 1880 CB ILE A 128 -3.801 2.142 4.284 1.00 22.22 C ATOM 1881 CG1 ILE A 128 -3.755 0.727 4.898 1.00 2.23 C ATOM 1882 CG2 ILE A 128 -2.832 3.079 5.013 1.00 4.13 C ATOM 1883 CD1 ILE A 128 -2.404 0.043 4.805 1.00 21.11 C ATOM 0 H ILE A 128 -5.783 1.404 2.839 1.00 34.14 H new ATOM 0 HA ILE A 128 -5.525 2.787 5.398 1.00 43.22 H new ATOM 0 HB ILE A 128 -3.492 2.083 3.240 1.00 22.22 H new ATOM 0 HG12 ILE A 128 -4.044 0.791 5.947 1.00 2.23 H new ATOM 0 HG13 ILE A 128 -4.498 0.104 4.400 1.00 2.23 H new ATOM 0 HG21 ILE A 128 -1.822 2.673 4.958 1.00 4.13 H new ATOM 0 HG22 ILE A 128 -2.854 4.062 4.543 1.00 4.13 H new ATOM 0 HG23 ILE A 128 -3.130 3.169 6.058 1.00 4.13 H new ATOM 0 HD11 ILE A 128 -2.464 -0.945 5.261 1.00 21.11 H new ATOM 0 HD12 ILE A 128 -2.118 -0.057 3.758 1.00 21.11 H new ATOM 0 HD13 ILE A 128 -1.657 0.639 5.329 1.00 21.11 H new ATOM 1895 N GLN A 129 -5.657 5.044 4.419 1.00 2.12 N ATOM 1896 CA GLN A 129 -5.760 6.371 3.913 1.00 72.20 C ATOM 1897 C GLN A 129 -4.422 7.023 4.052 1.00 2.54 C ATOM 1898 O GLN A 129 -3.933 7.252 5.172 1.00 15.24 O ATOM 1899 CB GLN A 129 -6.791 7.179 4.690 1.00 63.10 C ATOM 1900 CG GLN A 129 -8.169 6.557 4.760 1.00 51.43 C ATOM 1901 CD GLN A 129 -8.830 6.363 3.411 1.00 24.33 C ATOM 1902 OE1 GLN A 129 -9.520 7.255 2.912 1.00 50.43 O ATOM 1903 NE2 GLN A 129 -8.663 5.207 2.841 1.00 73.23 N ATOM 0 H GLN A 129 -5.868 4.956 5.413 1.00 2.12 H new ATOM 0 HA GLN A 129 -6.076 6.333 2.870 1.00 72.20 H new ATOM 0 HB2 GLN A 129 -6.424 7.328 5.705 1.00 63.10 H new ATOM 0 HB3 GLN A 129 -6.877 8.165 4.234 1.00 63.10 H new ATOM 0 HG2 GLN A 129 -8.095 5.590 5.258 1.00 51.43 H new ATOM 0 HG3 GLN A 129 -8.809 7.186 5.379 1.00 51.43 H new ATOM 0 HE21 GLN A 129 -8.084 4.497 3.288 1.00 73.23 H new ATOM 0 HE22 GLN A 129 -9.111 5.010 1.946 1.00 73.23 H new ATOM 1912 N ILE A 130 -3.823 7.284 2.955 1.00 62.31 N ATOM 1913 CA ILE A 130 -2.565 7.940 2.932 1.00 72.13 C ATOM 1914 C ILE A 130 -2.802 9.392 2.592 1.00 61.23 C ATOM 1915 O ILE A 130 -2.975 9.769 1.425 1.00 45.44 O ATOM 1916 CB ILE A 130 -1.573 7.254 1.942 1.00 63.13 C ATOM 1917 CG1 ILE A 130 -2.288 6.887 0.615 1.00 14.24 C ATOM 1918 CG2 ILE A 130 -0.943 6.023 2.592 1.00 13.11 C ATOM 1919 CD1 ILE A 130 -1.405 6.256 -0.443 1.00 52.31 C ATOM 0 H ILE A 130 -4.192 7.048 2.034 1.00 62.31 H new ATOM 0 HA ILE A 130 -2.092 7.871 3.911 1.00 72.13 H new ATOM 0 HB ILE A 130 -0.775 7.957 1.703 1.00 63.13 H new ATOM 0 HG12 ILE A 130 -3.105 6.201 0.839 1.00 14.24 H new ATOM 0 HG13 ILE A 130 -2.735 7.791 0.200 1.00 14.24 H new ATOM 0 HG21 ILE A 130 -0.253 5.554 1.890 1.00 13.11 H new ATOM 0 HG22 ILE A 130 -0.401 6.322 3.489 1.00 13.11 H new ATOM 0 HG23 ILE A 130 -1.725 5.313 2.861 1.00 13.11 H new ATOM 0 HD11 ILE A 130 -1.999 6.038 -1.330 1.00 52.31 H new ATOM 0 HD12 ILE A 130 -0.602 6.945 -0.705 1.00 52.31 H new ATOM 0 HD13 ILE A 130 -0.978 5.331 -0.056 1.00 52.31 H new ATOM 1931 N GLY A 131 -2.853 10.202 3.628 1.00 63.41 N ATOM 1932 CA GLY A 131 -3.205 11.575 3.461 1.00 65.45 C ATOM 1933 C GLY A 131 -4.652 11.686 3.043 1.00 30.24 C ATOM 1934 O GLY A 131 -5.561 11.394 3.829 1.00 21.31 O ATOM 0 H GLY A 131 -2.654 9.924 4.589 1.00 63.41 H new ATOM 0 HA2 GLY A 131 -3.044 12.117 4.393 1.00 65.45 H new ATOM 0 HA3 GLY A 131 -2.564 12.035 2.709 1.00 65.45 H new ATOM 1938 N LYS A 132 -4.867 12.066 1.816 1.00 24.05 N ATOM 1939 CA LYS A 132 -6.204 12.147 1.270 1.00 13.12 C ATOM 1940 C LYS A 132 -6.438 10.961 0.331 1.00 3.33 C ATOM 1941 O LYS A 132 -7.576 10.594 0.030 1.00 20.02 O ATOM 1942 CB LYS A 132 -6.372 13.456 0.486 1.00 23.21 C ATOM 1943 CG LYS A 132 -7.790 13.687 -0.044 1.00 63.31 C ATOM 1944 CD LYS A 132 -7.873 14.890 -0.971 1.00 5.23 C ATOM 1945 CE LYS A 132 -7.088 14.673 -2.257 1.00 73.11 C ATOM 1946 NZ LYS A 132 -7.172 15.839 -3.162 1.00 33.11 N ATOM 0 H LYS A 132 -4.128 12.329 1.163 1.00 24.05 H new ATOM 0 HA LYS A 132 -6.927 12.123 2.085 1.00 13.12 H new ATOM 0 HB2 LYS A 132 -6.095 14.291 1.130 1.00 23.21 H new ATOM 0 HB3 LYS A 132 -5.677 13.456 -0.354 1.00 23.21 H new ATOM 0 HG2 LYS A 132 -8.125 12.797 -0.577 1.00 63.31 H new ATOM 0 HG3 LYS A 132 -8.470 13.831 0.796 1.00 63.31 H new ATOM 0 HD2 LYS A 132 -8.917 15.090 -1.213 1.00 5.23 H new ATOM 0 HD3 LYS A 132 -7.490 15.771 -0.457 1.00 5.23 H new ATOM 0 HE2 LYS A 132 -6.043 14.477 -2.015 1.00 73.11 H new ATOM 0 HE3 LYS A 132 -7.468 13.789 -2.769 1.00 73.11 H new ATOM 0 HZ1 LYS A 132 -6.624 15.649 -4.025 1.00 33.11 H new ATOM 0 HZ2 LYS A 132 -8.166 16.012 -3.414 1.00 33.11 H new ATOM 0 HZ3 LYS A 132 -6.785 16.678 -2.684 1.00 33.11 H new ATOM 1960 N PHE A 133 -5.357 10.341 -0.082 1.00 51.32 N ATOM 1961 CA PHE A 133 -5.410 9.304 -1.082 1.00 45.22 C ATOM 1962 C PHE A 133 -5.769 7.974 -0.465 1.00 12.24 C ATOM 1963 O PHE A 133 -5.708 7.796 0.762 1.00 10.02 O ATOM 1964 CB PHE A 133 -4.102 9.258 -1.868 1.00 24.43 C ATOM 1965 CG PHE A 133 -3.748 10.595 -2.452 1.00 11.22 C ATOM 1966 CD1 PHE A 133 -4.517 11.152 -3.466 1.00 31.32 C ATOM 1967 CD2 PHE A 133 -2.661 11.308 -1.972 1.00 31.12 C ATOM 1968 CE1 PHE A 133 -4.205 12.392 -3.989 1.00 50.41 C ATOM 1969 CE2 PHE A 133 -2.342 12.545 -2.494 1.00 71.41 C ATOM 1970 CZ PHE A 133 -3.118 13.089 -3.502 1.00 50.12 C ATOM 0 H PHE A 133 -4.419 10.542 0.266 1.00 51.32 H new ATOM 0 HA PHE A 133 -6.203 9.536 -1.793 1.00 45.22 H new ATOM 0 HB2 PHE A 133 -3.297 8.924 -1.213 1.00 24.43 H new ATOM 0 HB3 PHE A 133 -4.186 8.524 -2.669 1.00 24.43 H new ATOM 0 HD1 PHE A 133 -5.368 10.610 -3.850 1.00 31.32 H new ATOM 0 HD2 PHE A 133 -2.057 10.891 -1.180 1.00 31.12 H new ATOM 0 HE1 PHE A 133 -4.810 12.815 -4.777 1.00 50.41 H new ATOM 0 HE2 PHE A 133 -1.488 13.088 -2.116 1.00 71.41 H new ATOM 0 HZ PHE A 133 -2.873 14.059 -3.908 1.00 50.12 H new ATOM 1980 N ARG A 134 -6.124 7.043 -1.292 1.00 40.02 N ATOM 1981 CA ARG A 134 -6.681 5.811 -0.826 1.00 33.02 C ATOM 1982 C ARG A 134 -5.940 4.592 -1.381 1.00 12.01 C ATOM 1983 O ARG A 134 -5.810 4.408 -2.598 1.00 22.14 O ATOM 1984 CB ARG A 134 -8.180 5.799 -1.178 1.00 74.23 C ATOM 1985 CG ARG A 134 -8.469 6.119 -2.649 1.00 64.23 C ATOM 1986 CD ARG A 134 -9.950 6.245 -2.927 1.00 50.15 C ATOM 1987 NE ARG A 134 -10.254 6.326 -4.372 1.00 42.21 N ATOM 1988 CZ ARG A 134 -11.185 7.125 -4.917 1.00 23.22 C ATOM 1989 NH1 ARG A 134 -11.855 7.995 -4.154 1.00 64.41 N ATOM 1990 NH2 ARG A 134 -11.433 7.056 -6.224 1.00 61.43 N ATOM 0 H ARG A 134 -6.037 7.113 -2.306 1.00 40.02 H new ATOM 0 HA ARG A 134 -6.563 5.743 0.256 1.00 33.02 H new ATOM 0 HB2 ARG A 134 -8.592 4.818 -0.941 1.00 74.23 H new ATOM 0 HB3 ARG A 134 -8.698 6.523 -0.549 1.00 74.23 H new ATOM 0 HG2 ARG A 134 -7.970 7.049 -2.921 1.00 64.23 H new ATOM 0 HG3 ARG A 134 -8.048 5.335 -3.279 1.00 64.23 H new ATOM 0 HD2 ARG A 134 -10.470 5.389 -2.498 1.00 50.15 H new ATOM 0 HD3 ARG A 134 -10.335 7.135 -2.428 1.00 50.15 H new ATOM 0 HE ARG A 134 -9.716 5.730 -5.002 1.00 42.21 H new ATOM 0 HH11 ARG A 134 -11.659 8.053 -3.155 1.00 64.41 H new ATOM 0 HH12 ARG A 134 -12.562 8.601 -4.571 1.00 64.41 H new ATOM 0 HH21 ARG A 134 -10.916 6.398 -6.807 1.00 61.43 H new ATOM 0 HH22 ARG A 134 -12.140 7.661 -6.642 1.00 61.43 H new ATOM 2004 N LEU A 135 -5.442 3.789 -0.486 1.00 40.43 N ATOM 2005 CA LEU A 135 -4.751 2.564 -0.802 1.00 45.32 C ATOM 2006 C LEU A 135 -5.449 1.441 -0.045 1.00 2.13 C ATOM 2007 O LEU A 135 -5.893 1.651 1.053 1.00 40.33 O ATOM 2008 CB LEU A 135 -3.255 2.727 -0.400 1.00 21.30 C ATOM 2009 CG LEU A 135 -2.269 1.566 -0.672 1.00 3.41 C ATOM 2010 CD1 LEU A 135 -0.848 2.107 -0.661 1.00 73.42 C ATOM 2011 CD2 LEU A 135 -2.380 0.481 0.401 1.00 34.11 C ATOM 0 H LEU A 135 -5.505 3.971 0.516 1.00 40.43 H new ATOM 0 HA LEU A 135 -4.776 2.327 -1.866 1.00 45.32 H new ATOM 0 HB2 LEU A 135 -2.872 3.609 -0.912 1.00 21.30 H new ATOM 0 HB3 LEU A 135 -3.224 2.940 0.668 1.00 21.30 H new ATOM 0 HG LEU A 135 -2.515 1.131 -1.641 1.00 3.41 H new ATOM 0 HD11 LEU A 135 -0.148 1.294 -0.852 1.00 73.42 H new ATOM 0 HD12 LEU A 135 -0.742 2.867 -1.435 1.00 73.42 H new ATOM 0 HD13 LEU A 135 -0.634 2.549 0.312 1.00 73.42 H new ATOM 0 HD21 LEU A 135 -1.675 -0.321 0.182 1.00 34.11 H new ATOM 0 HD22 LEU A 135 -2.151 0.909 1.377 1.00 34.11 H new ATOM 0 HD23 LEU A 135 -3.394 0.080 0.410 1.00 34.11 H new ATOM 2023 N VAL A 136 -5.581 0.286 -0.627 1.00 61.01 N ATOM 2024 CA VAL A 136 -6.229 -0.815 0.053 1.00 12.03 C ATOM 2025 C VAL A 136 -5.259 -1.964 0.102 1.00 41.02 C ATOM 2026 O VAL A 136 -4.644 -2.293 -0.912 1.00 11.11 O ATOM 2027 CB VAL A 136 -7.524 -1.280 -0.666 1.00 34.22 C ATOM 2028 CG1 VAL A 136 -8.293 -2.277 0.188 1.00 62.10 C ATOM 2029 CG2 VAL A 136 -8.404 -0.106 -1.036 1.00 1.41 C ATOM 0 H VAL A 136 -5.252 0.074 -1.569 1.00 61.01 H new ATOM 0 HA VAL A 136 -6.515 -0.480 1.050 1.00 12.03 H new ATOM 0 HB VAL A 136 -7.225 -1.777 -1.589 1.00 34.22 H new ATOM 0 HG11 VAL A 136 -9.196 -2.587 -0.338 1.00 62.10 H new ATOM 0 HG12 VAL A 136 -7.668 -3.149 0.381 1.00 62.10 H new ATOM 0 HG13 VAL A 136 -8.567 -1.810 1.134 1.00 62.10 H new ATOM 0 HG21 VAL A 136 -9.302 -0.468 -1.538 1.00 1.41 H new ATOM 0 HG22 VAL A 136 -8.686 0.436 -0.133 1.00 1.41 H new ATOM 0 HG23 VAL A 136 -7.859 0.561 -1.704 1.00 1.41 H new ATOM 2039 N PHE A 137 -5.096 -2.550 1.247 1.00 34.15 N ATOM 2040 CA PHE A 137 -4.181 -3.648 1.387 1.00 54.52 C ATOM 2041 C PHE A 137 -4.998 -4.920 1.424 1.00 23.22 C ATOM 2042 O PHE A 137 -5.956 -5.006 2.187 1.00 33.34 O ATOM 2043 CB PHE A 137 -3.361 -3.488 2.670 1.00 0.54 C ATOM 2044 CG PHE A 137 -2.209 -4.439 2.772 1.00 62.02 C ATOM 2045 CD1 PHE A 137 -0.999 -4.125 2.184 1.00 22.54 C ATOM 2046 CD2 PHE A 137 -2.330 -5.640 3.450 1.00 32.14 C ATOM 2047 CE1 PHE A 137 0.067 -4.988 2.261 1.00 33.05 C ATOM 2048 CE2 PHE A 137 -1.264 -6.509 3.530 1.00 3.45 C ATOM 2049 CZ PHE A 137 -0.063 -6.179 2.936 1.00 22.11 C ATOM 0 H PHE A 137 -5.585 -2.288 2.103 1.00 34.15 H new ATOM 0 HA PHE A 137 -3.481 -3.678 0.552 1.00 54.52 H new ATOM 0 HB2 PHE A 137 -2.983 -2.467 2.724 1.00 0.54 H new ATOM 0 HB3 PHE A 137 -4.016 -3.631 3.529 1.00 0.54 H new ATOM 0 HD1 PHE A 137 -0.890 -3.189 1.657 1.00 22.54 H new ATOM 0 HD2 PHE A 137 -3.268 -5.898 3.920 1.00 32.14 H new ATOM 0 HE1 PHE A 137 1.006 -4.732 1.792 1.00 33.05 H new ATOM 0 HE2 PHE A 137 -1.368 -7.446 4.056 1.00 3.45 H new ATOM 0 HZ PHE A 137 0.775 -6.857 3.001 1.00 22.11 H new ATOM 2059 N LEU A 138 -4.658 -5.890 0.609 1.00 72.40 N ATOM 2060 CA LEU A 138 -5.444 -7.101 0.533 1.00 12.22 C ATOM 2061 C LEU A 138 -4.599 -8.321 0.781 1.00 35.23 C ATOM 2062 O LEU A 138 -3.348 -8.283 0.727 1.00 40.25 O ATOM 2063 CB LEU A 138 -6.164 -7.282 -0.832 1.00 63.14 C ATOM 2064 CG LEU A 138 -7.232 -6.262 -1.263 1.00 52.04 C ATOM 2065 CD1 LEU A 138 -8.278 -6.052 -0.191 1.00 24.20 C ATOM 2066 CD2 LEU A 138 -6.619 -4.955 -1.717 1.00 42.24 C ATOM 0 H LEU A 138 -3.847 -5.866 -0.009 1.00 72.40 H new ATOM 0 HA LEU A 138 -6.200 -6.995 1.311 1.00 12.22 H new ATOM 0 HB2 LEU A 138 -5.397 -7.300 -1.607 1.00 63.14 H new ATOM 0 HB3 LEU A 138 -6.634 -8.265 -0.826 1.00 63.14 H new ATOM 0 HG LEU A 138 -7.743 -6.688 -2.127 1.00 52.04 H new ATOM 0 HD11 LEU A 138 -9.012 -5.325 -0.537 1.00 24.20 H new ATOM 0 HD12 LEU A 138 -8.776 -6.998 0.021 1.00 24.20 H new ATOM 0 HD13 LEU A 138 -7.800 -5.682 0.716 1.00 24.20 H new ATOM 0 HD21 LEU A 138 -7.410 -4.265 -2.012 1.00 42.24 H new ATOM 0 HD22 LEU A 138 -6.044 -4.520 -0.900 1.00 42.24 H new ATOM 0 HD23 LEU A 138 -5.961 -5.137 -2.567 1.00 42.24 H new ATOM 2078 N ALA A 139 -5.277 -9.402 1.045 1.00 22.40 N ATOM 2079 CA ALA A 139 -4.651 -10.658 1.231 1.00 70.31 C ATOM 2080 C ALA A 139 -4.163 -11.148 -0.098 1.00 52.53 C ATOM 2081 O ALA A 139 -4.943 -11.287 -1.042 1.00 13.12 O ATOM 2082 CB ALA A 139 -5.620 -11.654 1.843 1.00 75.23 C ATOM 0 H ALA A 139 -6.293 -9.424 1.136 1.00 22.40 H new ATOM 0 HA ALA A 139 -3.810 -10.551 1.917 1.00 70.31 H new ATOM 0 HB1 ALA A 139 -5.119 -12.613 1.978 1.00 75.23 H new ATOM 0 HB2 ALA A 139 -5.960 -11.283 2.810 1.00 75.23 H new ATOM 0 HB3 ALA A 139 -6.477 -11.782 1.181 1.00 75.23 H new ATOM 2088 N GLY A 140 -2.877 -11.346 -0.182 1.00 60.21 N ATOM 2089 CA GLY A 140 -2.291 -11.835 -1.379 1.00 23.32 C ATOM 2090 C GLY A 140 -2.543 -13.312 -1.559 1.00 33.03 C ATOM 2091 O GLY A 140 -3.435 -13.893 -0.905 1.00 60.42 O ATOM 0 H GLY A 140 -2.217 -11.172 0.576 1.00 60.21 H new ATOM 0 HA2 GLY A 140 -2.696 -11.290 -2.232 1.00 23.32 H new ATOM 0 HA3 GLY A 140 -1.217 -11.648 -1.362 1.00 23.32 H new ATOM 2095 N PRO A 141 -1.757 -13.969 -2.374 1.00 22.54 N ATOM 2096 CA PRO A 141 -1.964 -15.347 -2.672 1.00 65.22 C ATOM 2097 C PRO A 141 -1.516 -16.285 -1.571 1.00 24.21 C ATOM 2098 O PRO A 141 -0.393 -16.203 -1.048 1.00 73.25 O ATOM 2099 CB PRO A 141 -1.144 -15.602 -3.935 1.00 11.05 C ATOM 2100 CG PRO A 141 -0.519 -14.290 -4.296 1.00 63.20 C ATOM 2101 CD PRO A 141 -0.581 -13.438 -3.067 1.00 14.02 C ATOM 0 HA PRO A 141 -3.029 -15.544 -2.791 1.00 65.22 H new ATOM 0 HB2 PRO A 141 -0.382 -16.361 -3.758 1.00 11.05 H new ATOM 0 HB3 PRO A 141 -1.777 -15.968 -4.743 1.00 11.05 H new ATOM 0 HG2 PRO A 141 0.512 -14.428 -4.621 1.00 63.20 H new ATOM 0 HG3 PRO A 141 -1.053 -13.820 -5.122 1.00 63.20 H new ATOM 0 HD2 PRO A 141 0.322 -13.530 -2.463 1.00 14.02 H new ATOM 0 HD3 PRO A 141 -0.696 -12.382 -3.310 1.00 14.02 H new ATOM 2109 N ALA A 142 -2.420 -17.102 -1.178 1.00 61.31 N ATOM 2110 CA ALA A 142 -2.130 -18.227 -0.364 1.00 71.14 C ATOM 2111 C ALA A 142 -2.337 -19.370 -1.304 1.00 2.32 C ATOM 2112 O ALA A 142 -3.476 -19.712 -1.624 1.00 40.21 O ATOM 2113 CB ALA A 142 -3.084 -18.308 0.823 1.00 12.10 C ATOM 0 H ALA A 142 -3.407 -17.007 -1.418 1.00 61.31 H new ATOM 0 HA ALA A 142 -1.132 -18.201 0.073 1.00 71.14 H new ATOM 0 HB1 ALA A 142 -2.838 -19.180 1.429 1.00 12.10 H new ATOM 0 HB2 ALA A 142 -2.989 -17.407 1.429 1.00 12.10 H new ATOM 0 HB3 ALA A 142 -4.108 -18.395 0.461 1.00 12.10 H new ATOM 2119 N GLU A 143 -1.275 -19.923 -1.788 1.00 11.11 N ATOM 2120 CA GLU A 143 -1.356 -20.864 -2.863 1.00 35.32 C ATOM 2121 C GLU A 143 -0.171 -21.796 -2.757 1.00 30.11 C ATOM 2122 O GLU A 143 0.896 -21.489 -3.286 1.00 36.78 O ATOM 2123 CB GLU A 143 -1.354 -20.067 -4.191 1.00 20.05 C ATOM 2124 CG GLU A 143 -1.579 -20.858 -5.469 1.00 74.01 C ATOM 2125 CD GLU A 143 -1.587 -19.949 -6.681 1.00 54.43 C ATOM 2126 OE1 GLU A 143 -0.501 -19.482 -7.100 1.00 21.31 O ATOM 2127 OE2 GLU A 143 -2.676 -19.654 -7.228 1.00 32.02 O ATOM 2128 OXT GLU A 143 -0.282 -22.817 -2.063 1.00 36.78 O ATOM 0 H GLU A 143 -0.329 -19.739 -1.454 1.00 11.11 H new ATOM 0 HA GLU A 143 -2.265 -21.464 -2.824 1.00 35.32 H new ATOM 0 HB2 GLU A 143 -2.125 -19.300 -4.127 1.00 20.05 H new ATOM 0 HB3 GLU A 143 -0.397 -19.551 -4.275 1.00 20.05 H new ATOM 0 HG2 GLU A 143 -0.795 -21.608 -5.579 1.00 74.01 H new ATOM 0 HG3 GLU A 143 -2.526 -21.394 -5.406 1.00 74.01 H new TER 2135 GLU A 143