USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 612 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 58 TYR OH : rot 180:sc= -0.663 USER MOD Set 1.2: A 67 HIS : no HD1:sc= 0 X(o=-0.66,f=-0.66) USER MOD Set 2.1: A 53 GLN : amide:sc= -0.755 K(o=-0.75,f=-3.5!) USER MOD Set 2.2: A 73 THR OG1 : rot -160:sc= 0 USER MOD Set 3.1: A 42 SER OG : rot -170:sc= 0.233 USER MOD Set 3.2: A 44 GLN : amide:sc= 0.167 K(o=0.4,f=-1.8!) USER MOD Set 4.1: A 35 HIS : no HE2:sc= 1.06 K(o=2.1,f=-8.3!) USER MOD Set 4.2: A 70 GLN : amide:sc= 0.995 K(o=2.1,f=-3.4) USER MOD Set 5.1: A 25 THR OG1 : rot -9:sc= -0.0312 USER MOD Set 5.2: A 39 LYS NZ :NH3+ -150:sc= 1.26 (180deg=1.16) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.588 K(o=-0.59,f=-1.4) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.24) USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -66:sc= 0.177 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -1.8! C(o=-1.8!,f=-3.8!) USER MOD Single : A 36 TYR OH : rot 46:sc= 1.23 USER MOD Single : A 37 SER OG : rot 22:sc= 0.00553 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.753 K(o=-0.75,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.18) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0738) USER MOD Single : A 54 HIS : no HD1:sc= -0.0515 X(o=-0.052,f=-0.052) USER MOD Single : A 56 MET CE :methyl -178:sc= -1.32 (180deg=-1.46) USER MOD Single : A 59 LYS NZ :NH3+ 168:sc=-0.00578 (180deg=-0.154) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0541 F(o=-0.95,f=-0.054) USER MOD Single : A 75 CYS SG : rot -149:sc= 0.346 USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -1.371 -7.733 -7.108 1.00 72.44 N ATOM 2 CA PRO A 1 -1.127 -6.292 -7.279 1.00 63.23 C ATOM 3 C PRO A 1 -2.233 -5.666 -8.110 1.00 50.34 C ATOM 4 O PRO A 1 -3.243 -6.310 -8.387 1.00 54.34 O ATOM 5 CB PRO A 1 0.227 -6.110 -7.948 1.00 35.02 C ATOM 6 CG PRO A 1 0.792 -7.491 -7.999 1.00 24.21 C ATOM 7 CD PRO A 1 -0.036 -8.340 -7.060 1.00 63.42 C ATOM 0 H2 PRO A 1 -1.920 -8.109 -7.881 1.00 72.44 H new ATOM 0 H3 PRO A 1 -1.893 -7.920 -6.252 1.00 72.44 H new ATOM 0 HA PRO A 1 -1.122 -5.794 -6.309 1.00 63.23 H new ATOM 0 HB2 PRO A 1 0.125 -5.683 -8.946 1.00 35.02 H new ATOM 0 HB3 PRO A 1 0.867 -5.437 -7.377 1.00 35.02 H new ATOM 0 HG2 PRO A 1 0.753 -7.887 -9.014 1.00 24.21 H new ATOM 0 HG3 PRO A 1 1.839 -7.491 -7.697 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -0.060 -9.381 -7.381 1.00 63.42 H new ATOM 0 HD3 PRO A 1 0.371 -8.328 -6.049 1.00 63.42 H new ATOM 17 N GLY A 2 -2.066 -4.407 -8.484 1.00 35.53 N ATOM 18 CA GLY A 2 -3.056 -3.765 -9.314 1.00 24.52 C ATOM 19 C GLY A 2 -2.767 -2.305 -9.567 1.00 1.40 C ATOM 20 O GLY A 2 -3.429 -1.430 -9.008 1.00 22.44 O ATOM 0 H GLY A 2 -1.269 -3.824 -8.229 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -3.114 -4.288 -10.269 1.00 24.52 H new ATOM 0 HA3 GLY A 2 -4.033 -3.858 -8.840 1.00 24.52 H new ATOM 24 N SER A 3 -1.777 -2.036 -10.400 1.00 10.13 N ATOM 25 CA SER A 3 -1.526 -0.682 -10.852 1.00 12.40 C ATOM 26 C SER A 3 -2.363 -0.423 -12.103 1.00 50.22 C ATOM 27 O SER A 3 -2.293 -1.188 -13.068 1.00 24.11 O ATOM 28 CB SER A 3 -0.038 -0.474 -11.140 1.00 44.31 C ATOM 29 OG SER A 3 0.248 0.894 -11.357 1.00 54.01 O ATOM 0 H SER A 3 -1.137 -2.736 -10.775 1.00 10.13 H new ATOM 0 HA SER A 3 -1.808 0.024 -10.071 1.00 12.40 H new ATOM 0 HB2 SER A 3 0.554 -0.845 -10.303 1.00 44.31 H new ATOM 0 HB3 SER A 3 0.251 -1.054 -12.017 1.00 44.31 H new ATOM 0 HG SER A 3 1.205 1.004 -11.537 1.00 54.01 H new ATOM 35 N MET A 4 -3.171 0.640 -12.060 1.00 64.30 N ATOM 36 CA MET A 4 -4.122 0.949 -13.129 1.00 73.21 C ATOM 37 C MET A 4 -5.139 -0.190 -13.261 1.00 42.35 C ATOM 38 O MET A 4 -5.647 -0.485 -14.343 1.00 54.24 O ATOM 39 CB MET A 4 -3.387 1.201 -14.459 1.00 72.52 C ATOM 40 CG MET A 4 -4.285 1.712 -15.579 1.00 21.33 C ATOM 41 SD MET A 4 -5.118 3.256 -15.161 1.00 14.12 S ATOM 42 CE MET A 4 -6.192 3.452 -16.581 1.00 12.30 C ATOM 0 H MET A 4 -3.184 1.306 -11.288 1.00 64.30 H new ATOM 0 HA MET A 4 -4.658 1.864 -12.875 1.00 73.21 H new ATOM 0 HB2 MET A 4 -2.589 1.924 -14.289 1.00 72.52 H new ATOM 0 HB3 MET A 4 -2.914 0.274 -14.782 1.00 72.52 H new ATOM 0 HG2 MET A 4 -3.687 1.859 -16.479 1.00 21.33 H new ATOM 0 HG3 MET A 4 -5.032 0.954 -15.813 1.00 21.33 H new ATOM 0 HE1 MET A 4 -6.776 4.366 -16.472 1.00 12.30 H new ATOM 0 HE2 MET A 4 -5.589 3.512 -17.487 1.00 12.30 H new ATOM 0 HE3 MET A 4 -6.865 2.597 -16.649 1.00 12.30 H new ATOM 52 N THR A 5 -5.445 -0.822 -12.134 1.00 5.32 N ATOM 53 CA THR A 5 -6.393 -1.919 -12.118 1.00 22.53 C ATOM 54 C THR A 5 -7.814 -1.382 -12.012 1.00 65.22 C ATOM 55 O THR A 5 -8.043 -0.296 -11.471 1.00 62.04 O ATOM 56 CB THR A 5 -6.116 -2.904 -10.956 1.00 42.10 C ATOM 57 OG1 THR A 5 -6.877 -4.104 -11.132 1.00 71.41 O ATOM 58 CG2 THR A 5 -6.461 -2.284 -9.606 1.00 53.01 C ATOM 0 H THR A 5 -5.049 -0.591 -11.223 1.00 5.32 H new ATOM 0 HA THR A 5 -6.277 -2.466 -13.054 1.00 22.53 H new ATOM 0 HB THR A 5 -5.051 -3.137 -10.969 1.00 42.10 H new ATOM 0 HG1 THR A 5 -6.692 -4.720 -10.392 1.00 71.41 H new ATOM 0 HG21 THR A 5 -6.255 -3.002 -8.812 1.00 53.01 H new ATOM 0 HG22 THR A 5 -5.858 -1.389 -9.452 1.00 53.01 H new ATOM 0 HG23 THR A 5 -7.518 -2.017 -9.588 1.00 53.01 H new ATOM 66 N VAL A 6 -8.757 -2.137 -12.541 1.00 4.20 N ATOM 67 CA VAL A 6 -10.156 -1.761 -12.500 1.00 13.52 C ATOM 68 C VAL A 6 -11.023 -3.005 -12.637 1.00 40.55 C ATOM 69 O VAL A 6 -10.733 -3.889 -13.446 1.00 4.41 O ATOM 70 CB VAL A 6 -10.507 -0.728 -13.604 1.00 75.41 C ATOM 71 CG1 VAL A 6 -10.232 -1.287 -14.990 1.00 44.14 C ATOM 72 CG2 VAL A 6 -11.956 -0.273 -13.484 1.00 12.15 C ATOM 0 H VAL A 6 -8.576 -3.025 -13.009 1.00 4.20 H new ATOM 0 HA VAL A 6 -10.353 -1.285 -11.539 1.00 13.52 H new ATOM 0 HB VAL A 6 -9.864 0.140 -13.460 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -10.488 -0.540 -15.741 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -9.176 -1.542 -15.077 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -10.835 -2.181 -15.148 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -12.176 0.450 -14.269 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -12.617 -1.133 -13.587 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -12.112 0.190 -12.510 1.00 12.15 H new ATOM 82 N THR A 7 -12.050 -3.095 -11.811 1.00 31.41 N ATOM 83 CA THR A 7 -12.964 -4.218 -11.867 1.00 35.31 C ATOM 84 C THR A 7 -13.984 -3.996 -12.984 1.00 31.42 C ATOM 85 O THR A 7 -14.207 -2.861 -13.408 1.00 72.04 O ATOM 86 CB THR A 7 -13.698 -4.384 -10.518 1.00 54.51 C ATOM 87 OG1 THR A 7 -12.763 -4.253 -9.439 1.00 5.41 O ATOM 88 CG2 THR A 7 -14.381 -5.739 -10.421 1.00 10.33 C ATOM 0 H THR A 7 -12.271 -2.404 -11.094 1.00 31.41 H new ATOM 0 HA THR A 7 -12.393 -5.124 -12.069 1.00 35.31 H new ATOM 0 HB THR A 7 -14.459 -3.607 -10.454 1.00 54.51 H new ATOM 0 HG1 THR A 7 -13.232 -4.357 -8.585 1.00 5.41 H new ATOM 0 HG21 THR A 7 -14.888 -5.823 -9.460 1.00 10.33 H new ATOM 0 HG22 THR A 7 -15.110 -5.837 -11.225 1.00 10.33 H new ATOM 0 HG23 THR A 7 -13.635 -6.529 -10.508 1.00 10.33 H new ATOM 96 N GLN A 8 -14.599 -5.069 -13.460 1.00 3.23 N ATOM 97 CA GLN A 8 -15.647 -4.956 -14.457 1.00 50.02 C ATOM 98 C GLN A 8 -16.931 -4.481 -13.790 1.00 1.14 C ATOM 99 O GLN A 8 -17.744 -5.285 -13.326 1.00 72.35 O ATOM 100 CB GLN A 8 -15.871 -6.288 -15.184 1.00 43.14 C ATOM 101 CG GLN A 8 -14.662 -6.779 -15.979 1.00 33.25 C ATOM 102 CD GLN A 8 -13.622 -7.480 -15.118 1.00 53.30 C ATOM 103 OE1 GLN A 8 -12.717 -6.854 -14.571 1.00 54.41 O ATOM 104 NE2 GLN A 8 -13.738 -8.793 -15.007 1.00 54.35 N ATOM 0 H GLN A 8 -14.389 -6.024 -13.171 1.00 3.23 H new ATOM 0 HA GLN A 8 -15.340 -4.226 -15.206 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -16.143 -7.048 -14.451 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -16.718 -6.181 -15.861 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -15.001 -7.463 -16.757 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -14.197 -5.931 -16.481 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -14.503 -9.279 -15.476 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -13.063 -9.320 -14.453 1.00 54.35 H new ATOM 113 N SER A 9 -17.082 -3.163 -13.722 1.00 52.14 N ATOM 114 CA SER A 9 -18.192 -2.538 -13.018 1.00 2.52 C ATOM 115 C SER A 9 -19.544 -2.966 -13.582 1.00 0.31 C ATOM 116 O SER A 9 -20.508 -3.099 -12.836 1.00 54.11 O ATOM 117 CB SER A 9 -18.049 -1.017 -13.076 1.00 33.54 C ATOM 118 OG SER A 9 -16.770 -0.617 -12.614 1.00 75.12 O ATOM 0 H SER A 9 -16.438 -2.500 -14.153 1.00 52.14 H new ATOM 0 HA SER A 9 -18.157 -2.870 -11.980 1.00 2.52 H new ATOM 0 HB2 SER A 9 -18.196 -0.671 -14.099 1.00 33.54 H new ATOM 0 HB3 SER A 9 -18.824 -0.550 -12.467 1.00 33.54 H new ATOM 0 HG SER A 9 -16.696 0.359 -12.660 1.00 75.12 H new ATOM 124 N GLN A 10 -19.615 -3.203 -14.889 1.00 65.43 N ATOM 125 CA GLN A 10 -20.863 -3.650 -15.498 1.00 50.30 C ATOM 126 C GLN A 10 -21.256 -5.023 -14.967 1.00 24.22 C ATOM 127 O GLN A 10 -22.433 -5.296 -14.748 1.00 13.03 O ATOM 128 CB GLN A 10 -20.751 -3.699 -17.020 1.00 3.51 C ATOM 129 CG GLN A 10 -20.555 -2.338 -17.667 1.00 31.21 C ATOM 130 CD GLN A 10 -21.653 -1.359 -17.310 1.00 30.13 C ATOM 131 OE1 GLN A 10 -21.536 -0.604 -16.344 1.00 43.14 O ATOM 132 NE2 GLN A 10 -22.735 -1.381 -18.071 1.00 21.05 N ATOM 0 H GLN A 10 -18.836 -3.095 -15.538 1.00 65.43 H new ATOM 0 HA GLN A 10 -21.635 -2.928 -15.232 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -19.915 -4.344 -17.292 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -21.653 -4.157 -17.426 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -19.593 -1.928 -17.358 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -20.517 -2.457 -18.750 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -22.789 -2.023 -18.862 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -23.515 -0.756 -17.867 1.00 21.05 H new ATOM 141 N LEU A 11 -20.263 -5.879 -14.751 1.00 1.21 N ATOM 142 CA LEU A 11 -20.505 -7.206 -14.202 1.00 12.41 C ATOM 143 C LEU A 11 -20.911 -7.101 -12.739 1.00 54.11 C ATOM 144 O LEU A 11 -21.837 -7.776 -12.289 1.00 71.13 O ATOM 145 CB LEU A 11 -19.255 -8.080 -14.345 1.00 53.43 C ATOM 146 CG LEU A 11 -19.406 -9.523 -13.858 1.00 4.24 C ATOM 147 CD1 LEU A 11 -20.460 -10.258 -14.670 1.00 55.21 C ATOM 148 CD2 LEU A 11 -18.071 -10.251 -13.927 1.00 61.15 C ATOM 0 H LEU A 11 -19.283 -5.676 -14.948 1.00 1.21 H new ATOM 0 HA LEU A 11 -21.318 -7.671 -14.760 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -18.962 -8.097 -15.395 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -18.439 -7.612 -13.794 1.00 53.43 H new ATOM 0 HG LEU A 11 -19.733 -9.501 -12.818 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -20.551 -11.282 -14.307 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -21.419 -9.750 -14.566 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -20.167 -10.270 -15.720 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -18.197 -11.276 -13.577 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -17.715 -10.261 -14.957 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -17.344 -9.739 -13.296 1.00 61.15 H new ATOM 160 N GLU A 12 -20.217 -6.239 -12.007 1.00 14.13 N ATOM 161 CA GLU A 12 -20.529 -5.986 -10.605 1.00 13.33 C ATOM 162 C GLU A 12 -21.956 -5.463 -10.480 1.00 23.45 C ATOM 163 O GLU A 12 -22.763 -5.998 -9.720 1.00 35.24 O ATOM 164 CB GLU A 12 -19.523 -4.979 -10.036 1.00 72.23 C ATOM 165 CG GLU A 12 -19.540 -4.843 -8.518 1.00 2.41 C ATOM 166 CD GLU A 12 -20.696 -4.011 -7.995 1.00 74.31 C ATOM 167 OE1 GLU A 12 -20.904 -2.887 -8.504 1.00 33.12 O ATOM 168 OE2 GLU A 12 -21.393 -4.468 -7.068 1.00 23.41 O ATOM 0 H GLU A 12 -19.428 -5.699 -12.364 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.455 -6.912 -10.035 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -18.521 -5.272 -10.349 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.721 -4.002 -10.476 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -19.588 -5.837 -8.073 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -18.603 -4.393 -8.191 1.00 2.41 H new ATOM 175 N LEU A 13 -22.262 -4.434 -11.262 1.00 24.43 N ATOM 176 CA LEU A 13 -23.599 -3.862 -11.299 1.00 1.43 C ATOM 177 C LEU A 13 -24.624 -4.915 -11.711 1.00 31.21 C ATOM 178 O LEU A 13 -25.726 -4.961 -11.169 1.00 4.34 O ATOM 179 CB LEU A 13 -23.628 -2.658 -12.253 1.00 73.45 C ATOM 180 CG LEU A 13 -25.014 -2.080 -12.567 1.00 63.21 C ATOM 181 CD1 LEU A 13 -24.949 -0.564 -12.651 1.00 44.11 C ATOM 182 CD2 LEU A 13 -25.544 -2.649 -13.877 1.00 50.21 C ATOM 0 H LEU A 13 -21.594 -3.977 -11.883 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.863 -3.516 -10.300 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -23.015 -1.865 -11.824 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -23.158 -2.952 -13.191 1.00 73.45 H new ATOM 0 HG LEU A 13 -25.692 -2.360 -11.761 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -25.940 -0.169 -12.874 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -24.604 -0.161 -11.699 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -24.256 -0.273 -13.440 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -26.528 -2.229 -14.085 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -24.862 -2.393 -14.687 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -25.622 -3.733 -13.798 1.00 50.21 H new ATOM 194 N LEU A 14 -24.252 -5.768 -12.656 1.00 72.01 N ATOM 195 CA LEU A 14 -25.139 -6.828 -13.120 1.00 3.52 C ATOM 196 C LEU A 14 -25.511 -7.755 -11.968 1.00 71.02 C ATOM 197 O LEU A 14 -26.687 -8.038 -11.743 1.00 70.32 O ATOM 198 CB LEU A 14 -24.481 -7.630 -14.248 1.00 33.20 C ATOM 199 CG LEU A 14 -25.356 -8.718 -14.878 1.00 40.12 C ATOM 200 CD1 LEU A 14 -26.589 -8.104 -15.527 1.00 54.01 C ATOM 201 CD2 LEU A 14 -24.561 -9.521 -15.894 1.00 11.21 C ATOM 0 H LEU A 14 -23.342 -5.747 -13.117 1.00 72.01 H new ATOM 0 HA LEU A 14 -26.047 -6.365 -13.506 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -24.172 -6.937 -15.031 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -23.575 -8.096 -13.859 1.00 33.20 H new ATOM 0 HG LEU A 14 -25.685 -9.394 -14.088 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -27.198 -8.892 -15.969 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -27.172 -7.575 -14.773 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -26.281 -7.405 -16.304 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -25.199 -10.289 -16.331 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -24.201 -8.858 -16.681 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -23.711 -9.993 -15.400 1.00 11.21 H new ATOM 213 N ILE A 15 -24.505 -8.204 -11.228 1.00 13.25 N ATOM 214 CA ILE A 15 -24.728 -9.081 -10.086 1.00 24.23 C ATOM 215 C ILE A 15 -25.518 -8.358 -8.998 1.00 61.32 C ATOM 216 O ILE A 15 -26.417 -8.930 -8.390 1.00 75.31 O ATOM 217 CB ILE A 15 -23.392 -9.591 -9.497 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.592 -10.337 -10.571 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.637 -10.489 -8.286 1.00 52.02 C ATOM 220 CD1 ILE A 15 -21.211 -10.761 -10.119 1.00 63.52 C ATOM 0 H ILE A 15 -23.526 -7.975 -11.399 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.301 -9.937 -10.442 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.812 -8.731 -9.164 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -23.151 -11.221 -10.879 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -22.497 -9.698 -11.449 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.682 -10.835 -7.890 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.166 -9.926 -7.517 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.238 -11.348 -8.585 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -20.706 -11.283 -10.932 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -20.633 -9.880 -9.839 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -21.298 -11.426 -9.260 1.00 63.52 H new ATOM 232 N ARG A 16 -25.191 -7.089 -8.777 1.00 32.24 N ATOM 233 CA ARG A 16 -25.836 -6.306 -7.729 1.00 15.30 C ATOM 234 C ARG A 16 -27.299 -6.021 -8.074 1.00 74.23 C ATOM 235 O ARG A 16 -28.153 -5.959 -7.191 1.00 15.23 O ATOM 236 CB ARG A 16 -25.079 -4.992 -7.509 1.00 23.14 C ATOM 237 CG ARG A 16 -25.464 -4.264 -6.229 1.00 71.35 C ATOM 238 CD ARG A 16 -25.148 -5.100 -4.996 1.00 63.11 C ATOM 239 NE ARG A 16 -25.415 -4.374 -3.753 1.00 73.55 N ATOM 240 CZ ARG A 16 -25.239 -4.887 -2.537 1.00 72.42 C ATOM 241 NH1 ARG A 16 -24.799 -6.128 -2.386 1.00 4.32 N ATOM 242 NH2 ARG A 16 -25.507 -4.151 -1.462 1.00 75.13 N ATOM 0 H ARG A 16 -24.484 -6.581 -9.309 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.813 -6.889 -6.808 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -24.009 -5.200 -7.489 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -25.260 -4.333 -8.358 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -24.930 -3.316 -6.174 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -26.528 -4.030 -6.248 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -25.742 -6.013 -5.016 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -24.101 -5.401 -5.021 1.00 63.11 H new ATOM 0 HE ARG A 16 -25.757 -3.416 -3.823 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -24.592 -6.699 -3.205 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -24.667 -6.512 -1.450 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -25.847 -3.195 -1.570 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -25.373 -4.542 -0.530 1.00 75.13 H new ATOM 256 N ASN A 17 -27.584 -5.847 -9.360 1.00 21.01 N ATOM 257 CA ASN A 17 -28.950 -5.592 -9.817 1.00 71.44 C ATOM 258 C ASN A 17 -29.755 -6.887 -9.851 1.00 24.13 C ATOM 259 O ASN A 17 -30.964 -6.886 -9.610 1.00 64.41 O ATOM 260 CB ASN A 17 -28.958 -4.946 -11.209 1.00 22.11 C ATOM 261 CG ASN A 17 -28.609 -3.463 -11.198 1.00 54.33 C ATOM 262 OD1 ASN A 17 -27.736 -3.048 -10.289 1.00 70.12 O flip ATOM 263 ND2 ASN A 17 -29.111 -2.696 -12.020 1.00 64.22 N flip ATOM 0 H ASN A 17 -26.889 -5.877 -10.106 1.00 21.01 H new ATOM 0 HA ASN A 17 -29.409 -4.901 -9.110 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -28.249 -5.472 -11.848 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.945 -5.075 -11.654 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -29.779 -3.049 -12.705 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -28.859 -1.708 -12.016 1.00 64.22 H new ATOM 270 N ALA A 18 -29.081 -7.989 -10.159 1.00 24.13 N ATOM 271 CA ALA A 18 -29.730 -9.292 -10.213 1.00 52.44 C ATOM 272 C ALA A 18 -29.982 -9.827 -8.810 1.00 63.32 C ATOM 273 O ALA A 18 -31.068 -10.324 -8.511 1.00 53.11 O ATOM 274 CB ALA A 18 -28.889 -10.278 -11.013 1.00 44.34 C ATOM 0 H ALA A 18 -28.084 -8.005 -10.375 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.691 -9.172 -10.713 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -29.391 -11.245 -11.041 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -28.761 -9.906 -12.029 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -27.913 -10.390 -10.541 1.00 44.34 H new ATOM 280 N PHE A 19 -28.978 -9.722 -7.950 1.00 32.44 N ATOM 281 CA PHE A 19 -29.099 -10.183 -6.578 1.00 64.45 C ATOM 282 C PHE A 19 -28.716 -9.074 -5.602 1.00 11.13 C ATOM 283 O PHE A 19 -27.552 -8.944 -5.222 1.00 74.13 O ATOM 284 CB PHE A 19 -28.220 -11.413 -6.331 1.00 5.30 C ATOM 285 CG PHE A 19 -28.526 -12.581 -7.228 1.00 32.32 C ATOM 286 CD1 PHE A 19 -29.593 -13.421 -6.955 1.00 44.11 C ATOM 287 CD2 PHE A 19 -27.742 -12.838 -8.341 1.00 21.44 C ATOM 288 CE1 PHE A 19 -29.875 -14.494 -7.778 1.00 53.12 C ATOM 289 CE2 PHE A 19 -28.020 -13.909 -9.169 1.00 21.41 C ATOM 290 CZ PHE A 19 -29.086 -14.739 -8.886 1.00 4.25 C ATOM 0 H PHE A 19 -28.069 -9.320 -8.181 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.140 -10.459 -6.413 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.175 -11.131 -6.464 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.336 -11.726 -5.293 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -30.211 -13.235 -6.089 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -26.904 -12.194 -8.564 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -30.711 -15.141 -7.556 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -27.404 -14.096 -10.036 1.00 21.41 H new ATOM 0 HZ PHE A 19 -29.303 -15.579 -9.530 1.00 4.25 H new ATOM 300 N PRO A 20 -29.691 -8.254 -5.186 1.00 74.32 N ATOM 301 CA PRO A 20 -29.468 -7.173 -4.222 1.00 62.04 C ATOM 302 C PRO A 20 -29.303 -7.702 -2.798 1.00 53.13 C ATOM 303 O PRO A 20 -29.231 -6.936 -1.838 1.00 3.14 O ATOM 304 CB PRO A 20 -30.737 -6.312 -4.328 1.00 73.25 C ATOM 305 CG PRO A 20 -31.503 -6.856 -5.492 1.00 43.34 C ATOM 306 CD PRO A 20 -31.085 -8.289 -5.634 1.00 54.10 C ATOM 0 HA PRO A 20 -28.553 -6.622 -4.438 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -31.325 -6.368 -3.412 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -30.486 -5.263 -4.481 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -32.577 -6.779 -5.322 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -31.283 -6.294 -6.400 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.693 -8.953 -5.019 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.173 -8.638 -6.663 1.00 54.10 H new ATOM 314 N GLU A 21 -29.246 -9.021 -2.681 1.00 43.25 N ATOM 315 CA GLU A 21 -29.077 -9.687 -1.398 1.00 14.45 C ATOM 316 C GLU A 21 -27.755 -10.443 -1.365 1.00 61.52 C ATOM 317 O GLU A 21 -27.515 -11.268 -0.480 1.00 44.12 O ATOM 318 CB GLU A 21 -30.228 -10.665 -1.166 1.00 73.54 C ATOM 319 CG GLU A 21 -31.586 -10.000 -1.029 1.00 25.00 C ATOM 320 CD GLU A 21 -31.679 -9.113 0.195 1.00 21.25 C ATOM 321 OE1 GLU A 21 -31.226 -9.537 1.277 1.00 31.02 O ATOM 322 OE2 GLU A 21 -32.231 -7.998 0.086 1.00 2.14 O ATOM 0 H GLU A 21 -29.316 -9.660 -3.473 1.00 43.25 H new ATOM 0 HA GLU A 21 -29.075 -8.933 -0.611 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.263 -11.372 -1.995 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.025 -11.242 -0.264 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -31.787 -9.405 -1.920 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -32.359 -10.767 -0.977 1.00 25.00 H new ATOM 329 N ALA A 22 -26.896 -10.158 -2.336 1.00 13.31 N ATOM 330 CA ALA A 22 -25.652 -10.894 -2.488 1.00 45.34 C ATOM 331 C ALA A 22 -24.433 -10.032 -2.188 1.00 74.40 C ATOM 332 O ALA A 22 -24.308 -8.911 -2.682 1.00 53.45 O ATOM 333 CB ALA A 22 -25.555 -11.465 -3.889 1.00 43.43 C ATOM 0 H ALA A 22 -27.040 -9.423 -3.028 1.00 13.31 H new ATOM 0 HA ALA A 22 -25.662 -11.706 -1.761 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -24.620 -12.015 -3.994 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -26.394 -12.138 -4.066 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -25.582 -10.653 -4.616 1.00 43.43 H new ATOM 339 N GLU A 23 -23.538 -10.570 -1.374 1.00 31.23 N ATOM 340 CA GLU A 23 -22.271 -9.922 -1.075 1.00 5.24 C ATOM 341 C GLU A 23 -21.261 -10.289 -2.161 1.00 11.04 C ATOM 342 O GLU A 23 -20.801 -11.431 -2.235 1.00 5.32 O ATOM 343 CB GLU A 23 -21.783 -10.359 0.315 1.00 2.23 C ATOM 344 CG GLU A 23 -20.713 -9.462 0.934 1.00 32.11 C ATOM 345 CD GLU A 23 -19.317 -9.721 0.406 1.00 53.32 C ATOM 346 OE1 GLU A 23 -18.641 -10.638 0.926 1.00 74.04 O ATOM 347 OE2 GLU A 23 -18.880 -8.993 -0.508 1.00 2.10 O ATOM 0 H GLU A 23 -23.669 -11.465 -0.903 1.00 31.23 H new ATOM 0 HA GLU A 23 -22.391 -8.839 -1.062 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -22.639 -10.397 0.989 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -21.389 -11.373 0.243 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -20.974 -8.420 0.748 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -20.715 -9.603 2.015 1.00 32.11 H new ATOM 354 N ILE A 24 -20.959 -9.325 -3.020 1.00 13.41 N ATOM 355 CA ILE A 24 -20.103 -9.553 -4.176 1.00 74.24 C ATOM 356 C ILE A 24 -18.635 -9.288 -3.848 1.00 61.32 C ATOM 357 O ILE A 24 -18.276 -8.203 -3.389 1.00 75.31 O ATOM 358 CB ILE A 24 -20.512 -8.631 -5.343 1.00 14.12 C ATOM 359 CG1 ILE A 24 -22.029 -8.662 -5.543 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.793 -9.042 -6.623 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.530 -7.606 -6.500 1.00 33.11 C ATOM 0 H ILE A 24 -21.299 -8.367 -2.936 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.225 -10.598 -4.460 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.219 -7.610 -5.097 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.319 -9.645 -5.914 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.518 -8.529 -4.578 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -20.093 -8.382 -7.437 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.716 -8.969 -6.475 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -20.056 -10.070 -6.874 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.613 -7.685 -6.595 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -22.271 -6.618 -6.120 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -22.069 -7.752 -7.477 1.00 33.11 H new ATOM 373 N THR A 25 -17.793 -10.283 -4.081 1.00 14.02 N ATOM 374 CA THR A 25 -16.355 -10.117 -3.940 1.00 54.43 C ATOM 375 C THR A 25 -15.622 -10.744 -5.124 1.00 60.33 C ATOM 376 O THR A 25 -15.873 -11.896 -5.476 1.00 24.53 O ATOM 377 CB THR A 25 -15.833 -10.748 -2.633 1.00 3.22 C ATOM 378 OG1 THR A 25 -16.479 -10.157 -1.497 1.00 13.51 O ATOM 379 CG2 THR A 25 -14.325 -10.568 -2.508 1.00 30.53 C ATOM 0 H THR A 25 -18.082 -11.217 -4.370 1.00 14.02 H new ATOM 0 HA THR A 25 -16.159 -9.045 -3.911 1.00 54.43 H new ATOM 0 HB THR A 25 -16.061 -11.814 -2.663 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.010 -9.386 -1.787 1.00 13.51 H new ATOM 0 HG21 THR A 25 -13.980 -11.021 -1.578 1.00 30.53 H new ATOM 0 HG22 THR A 25 -13.830 -11.049 -3.352 1.00 30.53 H new ATOM 0 HG23 THR A 25 -14.085 -9.505 -2.504 1.00 30.53 H new ATOM 387 N VAL A 26 -14.735 -9.981 -5.746 1.00 74.44 N ATOM 388 CA VAL A 26 -13.896 -10.507 -6.813 1.00 13.43 C ATOM 389 C VAL A 26 -12.502 -10.829 -6.277 1.00 70.34 C ATOM 390 O VAL A 26 -11.819 -9.965 -5.727 1.00 52.34 O ATOM 391 CB VAL A 26 -13.797 -9.532 -8.012 1.00 24.42 C ATOM 392 CG1 VAL A 26 -15.118 -9.489 -8.766 1.00 41.35 C ATOM 393 CG2 VAL A 26 -13.404 -8.131 -7.556 1.00 35.24 C ATOM 0 H VAL A 26 -14.578 -8.997 -5.531 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.365 -11.422 -7.176 1.00 13.43 H new ATOM 0 HB VAL A 26 -13.018 -9.899 -8.680 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -15.035 -8.800 -9.606 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -15.358 -10.486 -9.136 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -15.908 -9.151 -8.096 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -13.343 -7.471 -8.421 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -14.153 -7.751 -6.861 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -12.435 -8.169 -7.059 1.00 35.24 H new ATOM 403 N THR A 27 -12.101 -12.082 -6.407 1.00 53.51 N ATOM 404 CA THR A 27 -10.831 -12.535 -5.865 1.00 3.34 C ATOM 405 C THR A 27 -9.927 -13.095 -6.963 1.00 43.20 C ATOM 406 O THR A 27 -10.296 -14.034 -7.667 1.00 52.12 O ATOM 407 CB THR A 27 -11.061 -13.604 -4.777 1.00 60.22 C ATOM 408 OG1 THR A 27 -11.930 -13.080 -3.764 1.00 55.14 O ATOM 409 CG2 THR A 27 -9.748 -14.036 -4.140 1.00 63.14 C ATOM 0 H THR A 27 -12.638 -12.806 -6.885 1.00 53.51 H new ATOM 0 HA THR A 27 -10.334 -11.673 -5.420 1.00 3.34 H new ATOM 0 HB THR A 27 -11.517 -14.474 -5.249 1.00 60.22 H new ATOM 0 HG1 THR A 27 -12.077 -13.761 -3.074 1.00 55.14 H new ATOM 0 HG21 THR A 27 -9.944 -14.790 -3.378 1.00 63.14 H new ATOM 0 HG22 THR A 27 -9.093 -14.455 -4.904 1.00 63.14 H new ATOM 0 HG23 THR A 27 -9.265 -13.173 -3.681 1.00 63.14 H new ATOM 417 N SER A 28 -8.752 -12.502 -7.115 1.00 23.54 N ATOM 418 CA SER A 28 -7.780 -12.970 -8.092 1.00 22.03 C ATOM 419 C SER A 28 -7.011 -14.170 -7.540 1.00 14.30 C ATOM 420 O SER A 28 -6.517 -14.134 -6.409 1.00 32.51 O ATOM 421 CB SER A 28 -6.812 -11.841 -8.455 1.00 23.21 C ATOM 422 OG SER A 28 -7.516 -10.689 -8.892 1.00 51.11 O ATOM 0 H SER A 28 -8.448 -11.693 -6.573 1.00 23.54 H new ATOM 0 HA SER A 28 -8.310 -13.280 -8.993 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.199 -11.590 -7.589 1.00 23.21 H new ATOM 0 HB3 SER A 28 -6.134 -12.177 -9.240 1.00 23.21 H new ATOM 0 HG SER A 28 -7.974 -10.886 -9.736 1.00 51.11 H new ATOM 428 N LEU A 29 -6.916 -15.229 -8.336 1.00 60.25 N ATOM 429 CA LEU A 29 -6.247 -16.455 -7.906 1.00 24.55 C ATOM 430 C LEU A 29 -4.732 -16.308 -8.003 1.00 12.10 C ATOM 431 O LEU A 29 -4.130 -16.727 -8.994 1.00 65.12 O ATOM 432 CB LEU A 29 -6.708 -17.664 -8.736 1.00 52.33 C ATOM 433 CG LEU A 29 -8.133 -18.166 -8.466 1.00 2.03 C ATOM 434 CD1 LEU A 29 -9.180 -17.160 -8.927 1.00 71.35 C ATOM 435 CD2 LEU A 29 -8.354 -19.505 -9.149 1.00 60.32 C ATOM 0 H LEU A 29 -7.293 -15.265 -9.283 1.00 60.25 H new ATOM 0 HA LEU A 29 -6.520 -16.628 -6.865 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -6.630 -17.405 -9.792 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -6.015 -18.486 -8.558 1.00 52.33 H new ATOM 0 HG LEU A 29 -8.244 -18.289 -7.389 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -10.176 -17.551 -8.719 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -9.041 -16.220 -8.394 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -9.073 -16.989 -9.998 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -9.368 -19.852 -8.951 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -8.213 -19.393 -10.224 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -7.640 -20.233 -8.763 1.00 60.32 H new ATOM 447 N VAL A 30 -4.140 -15.693 -6.964 1.00 4.40 N ATOM 448 CA VAL A 30 -2.693 -15.407 -6.873 1.00 1.44 C ATOM 449 C VAL A 30 -2.094 -14.938 -8.205 1.00 64.14 C ATOM 450 O VAL A 30 -0.913 -15.154 -8.483 1.00 15.34 O ATOM 451 CB VAL A 30 -1.875 -16.604 -6.310 1.00 71.32 C ATOM 452 CG1 VAL A 30 -2.307 -16.916 -4.886 1.00 52.04 C ATOM 453 CG2 VAL A 30 -1.994 -17.844 -7.184 1.00 30.41 C ATOM 0 H VAL A 30 -4.662 -15.374 -6.148 1.00 4.40 H new ATOM 0 HA VAL A 30 -2.615 -14.584 -6.162 1.00 1.44 H new ATOM 0 HB VAL A 30 -0.826 -16.308 -6.310 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -1.726 -17.756 -4.505 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -2.139 -16.043 -4.255 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -3.366 -17.173 -4.875 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -1.406 -18.653 -6.750 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -3.039 -18.147 -7.245 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -1.622 -17.621 -8.184 1.00 30.41 H new ATOM 463 N GLY A 31 -2.905 -14.260 -9.001 1.00 42.32 N ATOM 464 CA GLY A 31 -2.471 -13.789 -10.295 1.00 63.24 C ATOM 465 C GLY A 31 -3.413 -12.746 -10.840 1.00 24.53 C ATOM 466 O GLY A 31 -4.615 -12.992 -10.956 1.00 24.33 O ATOM 0 H GLY A 31 -3.870 -14.026 -8.767 1.00 42.32 H new ATOM 0 HA2 GLY A 31 -1.468 -13.370 -10.215 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -2.412 -14.627 -10.989 1.00 63.24 H new ATOM 470 N ASP A 32 -2.872 -11.588 -11.180 1.00 54.21 N ATOM 471 CA ASP A 32 -3.686 -10.445 -11.576 1.00 24.22 C ATOM 472 C ASP A 32 -4.387 -10.705 -12.904 1.00 21.34 C ATOM 473 O ASP A 32 -5.546 -10.341 -13.086 1.00 50.54 O ATOM 474 CB ASP A 32 -2.828 -9.182 -11.683 1.00 33.31 C ATOM 475 CG ASP A 32 -1.908 -8.994 -10.493 1.00 63.05 C ATOM 476 OD1 ASP A 32 -2.398 -8.875 -9.353 1.00 71.24 O ATOM 477 OD2 ASP A 32 -0.675 -8.982 -10.695 1.00 1.50 O ATOM 0 H ASP A 32 -1.867 -11.412 -11.190 1.00 54.21 H new ATOM 0 HA ASP A 32 -4.443 -10.296 -10.806 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -2.231 -9.230 -12.594 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -3.479 -8.313 -11.774 1.00 33.31 H new ATOM 482 N ASN A 33 -3.678 -11.333 -13.833 1.00 11.01 N ATOM 483 CA ASN A 33 -4.233 -11.638 -15.149 1.00 33.31 C ATOM 484 C ASN A 33 -4.427 -13.140 -15.325 1.00 73.15 C ATOM 485 O ASN A 33 -4.655 -13.622 -16.436 1.00 35.41 O ATOM 486 CB ASN A 33 -3.315 -11.108 -16.257 1.00 23.21 C ATOM 487 CG ASN A 33 -3.256 -9.593 -16.306 1.00 63.34 C ATOM 488 OD1 ASN A 33 -4.045 -8.949 -17.000 1.00 61.15 O ATOM 489 ND2 ASN A 33 -2.314 -9.014 -15.578 1.00 30.04 N ATOM 0 H ASN A 33 -2.715 -11.642 -13.701 1.00 11.01 H new ATOM 0 HA ASN A 33 -5.204 -11.147 -15.221 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -2.309 -11.500 -16.106 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -3.663 -11.484 -17.219 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -2.222 -7.998 -15.578 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -1.681 -9.584 -15.017 1.00 30.04 H new ATOM 496 N ASN A 34 -4.337 -13.879 -14.229 1.00 61.41 N ATOM 497 CA ASN A 34 -4.462 -15.334 -14.283 1.00 4.13 C ATOM 498 C ASN A 34 -5.926 -15.748 -14.333 1.00 1.44 C ATOM 499 O ASN A 34 -6.460 -16.058 -15.399 1.00 40.12 O ATOM 500 CB ASN A 34 -3.774 -15.994 -13.079 1.00 53.13 C ATOM 501 CG ASN A 34 -2.263 -15.841 -13.095 1.00 60.20 C ATOM 502 OD1 ASN A 34 -1.727 -14.863 -13.615 1.00 22.32 O ATOM 503 ND2 ASN A 34 -1.566 -16.804 -12.514 1.00 24.41 N ATOM 0 H ASN A 34 -4.179 -13.501 -13.295 1.00 61.41 H new ATOM 0 HA ASN A 34 -3.967 -15.673 -15.193 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -4.167 -15.558 -12.160 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -4.025 -17.055 -13.062 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -0.548 -16.751 -12.486 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -2.047 -17.599 -12.094 1.00 24.41 H new ATOM 510 N HIS A 35 -6.577 -15.739 -13.181 1.00 11.54 N ATOM 511 CA HIS A 35 -7.984 -16.096 -13.087 1.00 21.41 C ATOM 512 C HIS A 35 -8.664 -15.278 -12.006 1.00 54.15 C ATOM 513 O HIS A 35 -8.020 -14.847 -11.045 1.00 54.44 O ATOM 514 CB HIS A 35 -8.165 -17.590 -12.782 1.00 25.33 C ATOM 515 CG HIS A 35 -8.081 -18.482 -13.982 1.00 13.33 C ATOM 516 ND1 HIS A 35 -9.165 -18.759 -14.782 1.00 35.21 N ATOM 517 CD2 HIS A 35 -7.045 -19.179 -14.506 1.00 50.13 C ATOM 518 CE1 HIS A 35 -8.804 -19.587 -15.743 1.00 24.43 C ATOM 519 NE2 HIS A 35 -7.521 -19.861 -15.601 1.00 23.03 N ATOM 0 H HIS A 35 -6.149 -15.486 -12.290 1.00 11.54 H new ATOM 0 HA HIS A 35 -8.441 -15.881 -14.053 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -7.405 -17.896 -12.063 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -9.133 -17.736 -12.303 1.00 25.33 H new ATOM 0 HD1 HIS A 35 -10.104 -18.382 -14.652 1.00 35.21 H new ATOM 0 HD2 HIS A 35 -6.032 -19.196 -14.133 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -9.450 -19.976 -16.516 1.00 24.43 H new ATOM 528 N TYR A 36 -9.961 -15.069 -12.161 1.00 43.33 N ATOM 529 CA TYR A 36 -10.745 -14.350 -11.170 1.00 71.31 C ATOM 530 C TYR A 36 -11.843 -15.247 -10.625 1.00 40.50 C ATOM 531 O TYR A 36 -12.509 -15.953 -11.382 1.00 24.43 O ATOM 532 CB TYR A 36 -11.390 -13.097 -11.767 1.00 22.12 C ATOM 533 CG TYR A 36 -10.423 -12.125 -12.401 1.00 15.02 C ATOM 534 CD1 TYR A 36 -9.644 -11.280 -11.622 1.00 41.21 C ATOM 535 CD2 TYR A 36 -10.311 -12.034 -13.782 1.00 43.30 C ATOM 536 CE1 TYR A 36 -8.776 -10.376 -12.203 1.00 62.32 C ATOM 537 CE2 TYR A 36 -9.442 -11.135 -14.370 1.00 62.54 C ATOM 538 CZ TYR A 36 -8.680 -10.307 -13.577 1.00 1.54 C ATOM 539 OH TYR A 36 -7.822 -9.404 -14.157 1.00 12.31 O ATOM 0 H TYR A 36 -10.496 -15.389 -12.968 1.00 43.33 H new ATOM 0 HA TYR A 36 -10.067 -14.051 -10.371 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -12.119 -13.403 -12.517 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -11.940 -12.579 -10.981 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -9.718 -11.330 -10.546 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -10.913 -12.677 -14.407 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -8.175 -9.726 -11.584 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -9.361 -11.082 -15.446 1.00 62.54 H new ATOM 0 HH TYR A 36 -6.957 -9.434 -13.698 1.00 12.31 H new ATOM 549 N SER A 37 -12.017 -15.232 -9.320 1.00 2.23 N ATOM 550 CA SER A 37 -13.112 -15.938 -8.697 1.00 21.11 C ATOM 551 C SER A 37 -14.151 -14.930 -8.237 1.00 62.15 C ATOM 552 O SER A 37 -13.832 -13.973 -7.527 1.00 50.13 O ATOM 553 CB SER A 37 -12.620 -16.779 -7.518 1.00 62.23 C ATOM 554 OG SER A 37 -13.621 -17.686 -7.085 1.00 63.00 O ATOM 0 H SER A 37 -11.409 -14.735 -8.669 1.00 2.23 H new ATOM 0 HA SER A 37 -13.559 -16.618 -9.422 1.00 21.11 H new ATOM 0 HB2 SER A 37 -11.726 -17.331 -7.809 1.00 62.23 H new ATOM 0 HB3 SER A 37 -12.337 -16.125 -6.694 1.00 62.23 H new ATOM 0 HG SER A 37 -14.263 -17.835 -7.810 1.00 63.00 H new ATOM 560 N ILE A 38 -15.384 -15.132 -8.661 1.00 34.53 N ATOM 561 CA ILE A 38 -16.461 -14.228 -8.307 1.00 12.35 C ATOM 562 C ILE A 38 -17.263 -14.821 -7.161 1.00 21.51 C ATOM 563 O ILE A 38 -18.030 -15.769 -7.347 1.00 24.12 O ATOM 564 CB ILE A 38 -17.404 -13.932 -9.506 1.00 73.40 C ATOM 565 CG1 ILE A 38 -16.656 -13.217 -10.645 1.00 24.33 C ATOM 566 CG2 ILE A 38 -18.592 -13.090 -9.058 1.00 23.22 C ATOM 567 CD1 ILE A 38 -15.782 -14.128 -11.484 1.00 24.22 C ATOM 0 H ILE A 38 -15.665 -15.915 -9.252 1.00 34.53 H new ATOM 0 HA ILE A 38 -16.011 -13.282 -8.007 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.766 -14.889 -9.883 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -17.385 -12.732 -11.295 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -16.035 -12.429 -10.218 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -19.241 -12.893 -9.911 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -19.152 -13.628 -8.293 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -18.235 -12.145 -8.648 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -15.291 -13.545 -12.263 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -15.028 -14.594 -10.850 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -16.398 -14.901 -11.943 1.00 24.22 H new ATOM 579 N LYS A 39 -17.051 -14.283 -5.972 1.00 62.41 N ATOM 580 CA LYS A 39 -17.724 -14.766 -4.782 1.00 70.34 C ATOM 581 C LYS A 39 -19.064 -14.072 -4.619 1.00 25.51 C ATOM 582 O LYS A 39 -19.128 -12.856 -4.439 1.00 73.43 O ATOM 583 CB LYS A 39 -16.865 -14.525 -3.538 1.00 35.52 C ATOM 584 CG LYS A 39 -17.390 -15.230 -2.295 1.00 1.32 C ATOM 585 CD LYS A 39 -16.819 -14.633 -1.019 1.00 0.22 C ATOM 586 CE LYS A 39 -17.388 -13.246 -0.765 1.00 64.33 C ATOM 587 NZ LYS A 39 -16.947 -12.685 0.539 1.00 52.43 N ATOM 0 H LYS A 39 -16.412 -13.505 -5.806 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.885 -15.838 -4.894 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -15.848 -14.864 -3.737 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -16.812 -13.454 -3.344 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -18.478 -15.163 -2.272 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -17.137 -16.289 -2.345 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -17.047 -15.284 -0.175 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -15.733 -14.577 -1.094 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -17.080 -12.577 -1.569 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -18.477 -13.293 -0.788 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -17.681 -12.049 0.909 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -16.788 -13.460 1.214 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -16.063 -12.153 0.407 1.00 52.43 H new ATOM 601 N VAL A 40 -20.128 -14.846 -4.698 1.00 63.22 N ATOM 602 CA VAL A 40 -21.465 -14.323 -4.497 1.00 35.24 C ATOM 603 C VAL A 40 -22.055 -14.912 -3.222 1.00 33.00 C ATOM 604 O VAL A 40 -22.445 -16.081 -3.189 1.00 4.22 O ATOM 605 CB VAL A 40 -22.386 -14.645 -5.696 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.776 -14.062 -5.487 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.785 -14.128 -6.995 1.00 42.04 C ATOM 0 H VAL A 40 -20.092 -15.845 -4.901 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.396 -13.239 -4.409 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.476 -15.729 -5.765 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.404 -14.303 -6.345 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.216 -14.486 -4.584 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.704 -12.979 -5.382 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.451 -14.366 -7.824 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.657 -13.047 -6.932 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.816 -14.599 -7.161 1.00 42.04 H new ATOM 617 N ILE A 41 -22.095 -14.112 -2.170 1.00 54.23 N ATOM 618 CA ILE A 41 -22.625 -14.568 -0.896 1.00 33.03 C ATOM 619 C ILE A 41 -24.086 -14.188 -0.754 1.00 40.43 C ATOM 620 O ILE A 41 -24.425 -13.019 -0.586 1.00 0.12 O ATOM 621 CB ILE A 41 -21.826 -14.002 0.296 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.393 -14.535 0.270 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.504 -14.351 1.617 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.300 -16.047 0.339 1.00 73.31 C ATOM 0 H ILE A 41 -21.768 -13.146 -2.172 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.531 -15.654 -0.884 1.00 33.03 H new ATOM 0 HB ILE A 41 -21.797 -12.916 0.208 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -19.904 -14.192 -0.642 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -19.841 -14.108 1.108 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -21.923 -13.942 2.443 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.508 -13.927 1.634 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.566 -15.434 1.719 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.253 -16.349 0.316 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.758 -16.398 1.264 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.822 -16.483 -0.513 1.00 73.31 H new ATOM 636 N SER A 42 -24.944 -15.184 -0.850 1.00 20.34 N ATOM 637 CA SER A 42 -26.368 -14.983 -0.688 1.00 24.41 C ATOM 638 C SER A 42 -27.002 -16.254 -0.145 1.00 53.10 C ATOM 639 O SER A 42 -26.694 -17.357 -0.610 1.00 71.22 O ATOM 640 CB SER A 42 -27.007 -14.596 -2.027 1.00 15.34 C ATOM 641 OG SER A 42 -28.407 -14.417 -1.901 1.00 44.11 O ATOM 0 H SER A 42 -24.675 -16.149 -1.041 1.00 20.34 H new ATOM 0 HA SER A 42 -26.537 -14.170 0.019 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.553 -13.676 -2.396 1.00 15.34 H new ATOM 0 HB3 SER A 42 -26.803 -15.371 -2.766 1.00 15.34 H new ATOM 0 HG SER A 42 -28.806 -14.323 -2.791 1.00 44.11 H new ATOM 647 N SER A 43 -27.894 -16.100 0.825 1.00 30.43 N ATOM 648 CA SER A 43 -28.566 -17.238 1.438 1.00 73.12 C ATOM 649 C SER A 43 -29.553 -17.868 0.457 1.00 23.01 C ATOM 650 O SER A 43 -30.200 -18.872 0.756 1.00 1.22 O ATOM 651 CB SER A 43 -29.278 -16.791 2.712 1.00 14.53 C ATOM 652 OG SER A 43 -28.368 -16.148 3.589 1.00 21.44 O ATOM 0 H SER A 43 -28.170 -15.195 1.205 1.00 30.43 H new ATOM 0 HA SER A 43 -27.823 -17.992 1.698 1.00 73.12 H new ATOM 0 HB2 SER A 43 -30.093 -16.111 2.461 1.00 14.53 H new ATOM 0 HB3 SER A 43 -29.723 -17.653 3.208 1.00 14.53 H new ATOM 0 HG SER A 43 -28.840 -15.866 4.400 1.00 21.44 H new ATOM 658 N GLN A 44 -29.660 -17.261 -0.717 1.00 22.21 N ATOM 659 CA GLN A 44 -30.490 -17.780 -1.788 1.00 35.52 C ATOM 660 C GLN A 44 -29.767 -18.909 -2.522 1.00 53.44 C ATOM 661 O GLN A 44 -30.394 -19.736 -3.182 1.00 5.22 O ATOM 662 CB GLN A 44 -30.833 -16.651 -2.761 1.00 53.01 C ATOM 663 CG GLN A 44 -31.499 -15.460 -2.092 1.00 53.14 C ATOM 664 CD GLN A 44 -31.539 -14.233 -2.981 1.00 12.44 C ATOM 665 OE1 GLN A 44 -30.663 -14.034 -3.824 1.00 4.51 O ATOM 666 NE2 GLN A 44 -32.537 -13.389 -2.781 1.00 42.54 N ATOM 0 H GLN A 44 -29.173 -16.396 -0.951 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.411 -18.181 -1.364 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -29.921 -16.317 -3.255 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.493 -17.038 -3.537 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -32.516 -15.731 -1.808 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -30.965 -15.220 -1.173 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -33.242 -13.592 -2.072 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -32.602 -12.535 -3.335 1.00 42.54 H new ATOM 675 N PHE A 45 -28.443 -18.948 -2.393 1.00 2.34 N ATOM 676 CA PHE A 45 -27.646 -19.974 -3.064 1.00 54.05 C ATOM 677 C PHE A 45 -27.509 -21.224 -2.206 1.00 52.21 C ATOM 678 O PHE A 45 -27.063 -22.265 -2.687 1.00 54.32 O ATOM 679 CB PHE A 45 -26.253 -19.445 -3.411 1.00 21.10 C ATOM 680 CG PHE A 45 -26.188 -18.694 -4.709 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.014 -19.374 -5.905 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.283 -17.313 -4.737 1.00 52.02 C ATOM 683 CE1 PHE A 45 -25.938 -18.691 -7.103 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.211 -16.623 -5.934 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.036 -17.313 -7.118 1.00 32.51 C ATOM 0 H PHE A 45 -27.902 -18.287 -1.835 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.172 -20.235 -3.982 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -25.914 -18.791 -2.608 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.558 -20.284 -3.454 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -25.937 -20.451 -5.900 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.415 -16.768 -3.814 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -25.802 -19.233 -8.027 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -26.292 -15.546 -5.943 1.00 22.14 H new ATOM 0 HZ PHE A 45 -25.976 -16.776 -8.053 1.00 32.51 H new ATOM 695 N GLN A 46 -27.910 -21.131 -0.946 1.00 72.45 N ATOM 696 CA GLN A 46 -27.811 -22.263 -0.035 1.00 75.13 C ATOM 697 C GLN A 46 -28.979 -23.212 -0.249 1.00 33.34 C ATOM 698 O GLN A 46 -30.136 -22.793 -0.243 1.00 13.13 O ATOM 699 CB GLN A 46 -27.770 -21.782 1.418 1.00 64.41 C ATOM 700 CG GLN A 46 -27.668 -22.910 2.434 1.00 21.44 C ATOM 701 CD GLN A 46 -26.441 -23.778 2.231 1.00 44.02 C ATOM 702 OE1 GLN A 46 -25.402 -23.314 1.763 1.00 34.13 O ATOM 703 NE2 GLN A 46 -26.557 -25.049 2.578 1.00 64.01 N ATOM 0 H GLN A 46 -28.306 -20.287 -0.532 1.00 72.45 H new ATOM 0 HA GLN A 46 -26.884 -22.798 -0.244 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -26.920 -21.112 1.546 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -28.668 -21.200 1.624 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -27.645 -22.487 3.438 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -28.561 -23.532 2.370 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -27.436 -25.394 2.963 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -25.767 -25.684 2.461 1.00 64.01 H new ATOM 712 N GLY A 47 -28.672 -24.483 -0.452 1.00 61.23 N ATOM 713 CA GLY A 47 -29.710 -25.468 -0.680 1.00 30.52 C ATOM 714 C GLY A 47 -29.904 -25.758 -2.153 1.00 5.25 C ATOM 715 O GLY A 47 -30.785 -26.531 -2.536 1.00 33.03 O ATOM 0 H GLY A 47 -27.721 -24.852 -0.463 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -29.454 -26.391 -0.160 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -30.648 -25.111 -0.254 1.00 30.52 H new ATOM 719 N LYS A 48 -29.088 -25.122 -2.984 1.00 74.22 N ATOM 720 CA LYS A 48 -29.127 -25.354 -4.418 1.00 25.13 C ATOM 721 C LYS A 48 -28.134 -26.442 -4.800 1.00 55.24 C ATOM 722 O LYS A 48 -26.987 -26.433 -4.351 1.00 42.13 O ATOM 723 CB LYS A 48 -28.816 -24.061 -5.181 1.00 2.30 C ATOM 724 CG LYS A 48 -29.821 -22.945 -4.933 1.00 31.41 C ATOM 725 CD LYS A 48 -31.241 -23.404 -5.222 1.00 43.32 C ATOM 726 CE LYS A 48 -32.228 -22.246 -5.205 1.00 50.32 C ATOM 727 NZ LYS A 48 -32.253 -21.545 -3.893 1.00 10.22 N ATOM 0 H LYS A 48 -28.390 -24.440 -2.686 1.00 74.22 H new ATOM 0 HA LYS A 48 -30.131 -25.682 -4.689 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -27.823 -23.713 -4.897 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -28.785 -24.279 -6.249 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -29.748 -22.611 -3.898 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -29.579 -22.088 -5.562 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -31.273 -23.894 -6.195 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -31.540 -24.146 -4.482 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -31.965 -21.536 -5.989 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -33.226 -22.619 -5.434 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -33.107 -20.955 -3.831 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -32.259 -22.246 -3.125 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -31.410 -20.943 -3.805 1.00 10.22 H new ATOM 741 N SER A 49 -28.587 -27.385 -5.608 1.00 13.41 N ATOM 742 CA SER A 49 -27.738 -28.470 -6.068 1.00 51.51 C ATOM 743 C SER A 49 -26.785 -27.973 -7.153 1.00 12.24 C ATOM 744 O SER A 49 -27.068 -26.974 -7.821 1.00 74.40 O ATOM 745 CB SER A 49 -28.602 -29.612 -6.592 1.00 73.24 C ATOM 746 OG SER A 49 -29.590 -29.971 -5.641 1.00 23.44 O ATOM 0 H SER A 49 -29.543 -27.421 -5.961 1.00 13.41 H new ATOM 0 HA SER A 49 -27.141 -28.836 -5.233 1.00 51.51 H new ATOM 0 HB2 SER A 49 -29.080 -29.314 -7.525 1.00 73.24 H new ATOM 0 HB3 SER A 49 -27.975 -30.475 -6.816 1.00 73.24 H new ATOM 0 HG SER A 49 -30.135 -30.704 -5.996 1.00 23.44 H new ATOM 752 N LYS A 50 -25.671 -28.679 -7.330 1.00 4.42 N ATOM 753 CA LYS A 50 -24.615 -28.255 -8.247 1.00 71.43 C ATOM 754 C LYS A 50 -25.129 -28.012 -9.658 1.00 23.45 C ATOM 755 O LYS A 50 -24.743 -27.035 -10.295 1.00 32.41 O ATOM 756 CB LYS A 50 -23.471 -29.272 -8.283 1.00 4.10 C ATOM 757 CG LYS A 50 -23.909 -30.707 -8.523 1.00 64.11 C ATOM 758 CD LYS A 50 -22.728 -31.662 -8.484 1.00 23.40 C ATOM 759 CE LYS A 50 -22.029 -31.647 -7.132 1.00 14.31 C ATOM 760 NZ LYS A 50 -22.911 -32.137 -6.039 1.00 52.11 N ATOM 0 H LYS A 50 -25.475 -29.555 -6.846 1.00 4.42 H new ATOM 0 HA LYS A 50 -24.241 -27.307 -7.861 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -22.770 -28.984 -9.067 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -22.930 -29.224 -7.338 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -24.639 -30.997 -7.767 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -24.406 -30.780 -9.490 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -23.071 -32.673 -8.704 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -22.016 -31.391 -9.264 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -21.134 -32.267 -7.180 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -21.701 -30.632 -6.905 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -22.353 -32.254 -5.169 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -23.672 -31.448 -5.872 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -23.325 -33.052 -6.311 1.00 52.11 H new ATOM 774 N LEU A 51 -26.001 -28.885 -10.149 1.00 35.35 N ATOM 775 CA LEU A 51 -26.524 -28.734 -11.500 1.00 23.42 C ATOM 776 C LEU A 51 -27.297 -27.429 -11.627 1.00 5.20 C ATOM 777 O LEU A 51 -27.125 -26.689 -12.594 1.00 63.51 O ATOM 778 CB LEU A 51 -27.421 -29.911 -11.883 1.00 12.31 C ATOM 779 CG LEU A 51 -26.718 -31.266 -11.980 1.00 32.31 C ATOM 780 CD1 LEU A 51 -27.703 -32.347 -12.391 1.00 43.12 C ATOM 781 CD2 LEU A 51 -25.562 -31.202 -12.965 1.00 32.51 C ATOM 0 H LEU A 51 -26.356 -29.694 -9.639 1.00 35.35 H new ATOM 0 HA LEU A 51 -25.676 -28.715 -12.184 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -28.223 -29.988 -11.149 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -27.888 -29.693 -12.844 1.00 12.31 H new ATOM 0 HG LEU A 51 -26.318 -31.515 -10.997 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -27.186 -33.305 -12.455 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -28.500 -32.414 -11.650 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -28.130 -32.099 -13.363 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -25.076 -32.176 -13.019 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -25.939 -30.929 -13.951 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -24.842 -30.455 -12.632 1.00 32.51 H new ATOM 793 N GLU A 52 -28.126 -27.145 -10.631 1.00 71.20 N ATOM 794 CA GLU A 52 -28.886 -25.905 -10.598 1.00 3.31 C ATOM 795 C GLU A 52 -27.950 -24.709 -10.487 1.00 30.12 C ATOM 796 O GLU A 52 -28.148 -23.692 -11.150 1.00 1.51 O ATOM 797 CB GLU A 52 -29.876 -25.915 -9.435 1.00 30.33 C ATOM 798 CG GLU A 52 -30.986 -26.939 -9.601 1.00 23.32 C ATOM 799 CD GLU A 52 -31.788 -26.710 -10.865 1.00 25.24 C ATOM 800 OE1 GLU A 52 -32.694 -25.853 -10.844 1.00 61.13 O ATOM 801 OE2 GLU A 52 -31.511 -27.384 -11.879 1.00 33.02 O ATOM 0 H GLU A 52 -28.289 -27.760 -9.833 1.00 71.20 H new ATOM 0 HA GLU A 52 -29.447 -25.821 -11.529 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -29.337 -26.120 -8.510 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -30.318 -24.924 -9.334 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -30.555 -27.940 -9.622 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -31.650 -26.896 -8.738 1.00 23.32 H new ATOM 808 N GLN A 53 -26.920 -24.845 -9.653 1.00 12.11 N ATOM 809 CA GLN A 53 -25.906 -23.804 -9.511 1.00 42.34 C ATOM 810 C GLN A 53 -25.262 -23.515 -10.862 1.00 43.01 C ATOM 811 O GLN A 53 -25.142 -22.362 -11.273 1.00 50.30 O ATOM 812 CB GLN A 53 -24.823 -24.222 -8.508 1.00 43.04 C ATOM 813 CG GLN A 53 -25.323 -24.417 -7.085 1.00 62.32 C ATOM 814 CD GLN A 53 -24.219 -24.872 -6.143 1.00 34.52 C ATOM 815 OE1 GLN A 53 -23.990 -26.069 -5.966 1.00 70.33 O ATOM 816 NE2 GLN A 53 -23.522 -23.925 -5.535 1.00 33.33 N ATOM 0 H GLN A 53 -26.767 -25.665 -9.066 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.396 -22.905 -9.138 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.368 -25.151 -8.850 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.038 -23.465 -8.504 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -25.747 -23.482 -6.720 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -26.127 -25.153 -7.082 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -23.739 -22.943 -5.705 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -22.768 -24.177 -4.896 1.00 33.33 H new ATOM 825 N HIS A 54 -24.884 -24.581 -11.562 1.00 11.40 N ATOM 826 CA HIS A 54 -24.248 -24.450 -12.869 1.00 50.22 C ATOM 827 C HIS A 54 -25.198 -23.774 -13.845 1.00 75.33 C ATOM 828 O HIS A 54 -24.821 -22.827 -14.529 1.00 22.05 O ATOM 829 CB HIS A 54 -23.819 -25.817 -13.422 1.00 60.03 C ATOM 830 CG HIS A 54 -22.809 -26.534 -12.576 1.00 0.23 C ATOM 831 ND1 HIS A 54 -22.610 -27.898 -12.635 1.00 44.12 N ATOM 832 CD2 HIS A 54 -21.952 -26.074 -11.633 1.00 72.31 C ATOM 833 CE1 HIS A 54 -21.683 -28.244 -11.758 1.00 21.24 C ATOM 834 NE2 HIS A 54 -21.266 -27.155 -11.142 1.00 73.11 N ATOM 0 H HIS A 54 -25.007 -25.543 -11.247 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.354 -23.838 -12.747 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -24.702 -26.447 -13.526 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -23.406 -25.679 -14.421 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -21.831 -25.046 -11.325 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -21.328 -29.248 -11.577 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -20.549 -27.122 -10.417 1.00 73.11 H new ATOM 843 N ARG A 55 -26.435 -24.258 -13.880 1.00 60.31 N ATOM 844 CA ARG A 55 -27.463 -23.700 -14.753 1.00 40.14 C ATOM 845 C ARG A 55 -27.624 -22.204 -14.534 1.00 43.34 C ATOM 846 O ARG A 55 -27.583 -21.423 -15.484 1.00 3.25 O ATOM 847 CB ARG A 55 -28.800 -24.396 -14.510 1.00 52.11 C ATOM 848 CG ARG A 55 -28.894 -25.775 -15.139 1.00 35.13 C ATOM 849 CD ARG A 55 -30.177 -26.484 -14.741 1.00 61.41 C ATOM 850 NE ARG A 55 -30.365 -27.721 -15.499 1.00 74.14 N ATOM 851 CZ ARG A 55 -31.355 -28.587 -15.288 1.00 14.23 C ATOM 852 NH1 ARG A 55 -32.169 -28.442 -14.251 1.00 74.13 N ATOM 853 NH2 ARG A 55 -31.486 -29.640 -16.084 1.00 52.14 N ATOM 0 H ARG A 55 -26.752 -25.042 -13.309 1.00 60.31 H new ATOM 0 HA ARG A 55 -27.146 -23.866 -15.783 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -28.963 -24.484 -13.436 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.602 -23.771 -14.904 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -28.849 -25.684 -16.224 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -28.036 -26.374 -14.833 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -30.153 -26.710 -13.675 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -31.026 -25.822 -14.908 1.00 61.41 H new ATOM 0 HE ARG A 55 -29.694 -27.934 -16.237 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -32.040 -27.662 -13.606 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -32.924 -29.110 -14.098 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -30.831 -29.783 -16.852 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -32.242 -30.307 -15.928 1.00 52.14 H new ATOM 867 N MET A 56 -27.789 -21.808 -13.278 1.00 5.13 N ATOM 868 CA MET A 56 -28.014 -20.408 -12.945 1.00 13.24 C ATOM 869 C MET A 56 -26.824 -19.547 -13.356 1.00 73.24 C ATOM 870 O MET A 56 -26.996 -18.506 -13.995 1.00 12.14 O ATOM 871 CB MET A 56 -28.284 -20.237 -11.445 1.00 12.34 C ATOM 872 CG MET A 56 -29.589 -20.864 -10.982 1.00 75.15 C ATOM 873 SD MET A 56 -29.900 -20.612 -9.221 1.00 61.02 S ATOM 874 CE MET A 56 -28.480 -21.426 -8.493 1.00 11.14 C ATOM 0 H MET A 56 -27.771 -22.436 -12.474 1.00 5.13 H new ATOM 0 HA MET A 56 -28.892 -20.078 -13.500 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.460 -20.679 -10.884 1.00 12.34 H new ATOM 0 HB3 MET A 56 -28.298 -19.173 -11.207 1.00 12.34 H new ATOM 0 HG2 MET A 56 -30.414 -20.441 -11.556 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.568 -21.933 -11.193 1.00 75.15 H new ATOM 0 HE1 MET A 56 -28.553 -21.383 -7.406 1.00 11.14 H new ATOM 0 HE2 MET A 56 -28.454 -22.467 -8.814 1.00 11.14 H new ATOM 0 HE3 MET A 56 -27.568 -20.924 -8.815 1.00 11.14 H new ATOM 884 N ILE A 57 -25.620 -19.990 -13.004 1.00 55.45 N ATOM 885 CA ILE A 57 -24.404 -19.237 -13.310 1.00 13.21 C ATOM 886 C ILE A 57 -24.183 -19.133 -14.818 1.00 34.43 C ATOM 887 O ILE A 57 -23.940 -18.046 -15.345 1.00 62.10 O ATOM 888 CB ILE A 57 -23.160 -19.869 -12.646 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.345 -19.914 -11.126 1.00 2.03 C ATOM 890 CG2 ILE A 57 -21.899 -19.095 -13.011 1.00 32.31 C ATOM 891 CD1 ILE A 57 -23.704 -18.576 -10.510 1.00 2.10 C ATOM 0 H ILE A 57 -25.459 -20.866 -12.507 1.00 55.45 H new ATOM 0 HA ILE A 57 -24.542 -18.236 -12.902 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.047 -20.888 -13.017 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -24.127 -20.635 -10.886 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -22.425 -20.278 -10.669 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.036 -19.558 -12.532 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -21.764 -19.108 -14.093 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -21.993 -18.064 -12.670 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -23.818 -18.691 -9.432 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -22.912 -17.856 -10.717 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -24.640 -18.218 -10.938 1.00 2.10 H new ATOM 903 N TYR A 58 -24.293 -20.259 -15.512 1.00 15.22 N ATOM 904 CA TYR A 58 -24.105 -20.283 -16.958 1.00 4.35 C ATOM 905 C TYR A 58 -25.173 -19.452 -17.662 1.00 73.40 C ATOM 906 O TYR A 58 -24.924 -18.885 -18.721 1.00 43.54 O ATOM 907 CB TYR A 58 -24.105 -21.720 -17.496 1.00 3.41 C ATOM 908 CG TYR A 58 -22.899 -22.533 -17.068 1.00 74.31 C ATOM 909 CD1 TYR A 58 -21.652 -21.938 -16.917 1.00 21.34 C ATOM 910 CD2 TYR A 58 -23.006 -23.898 -16.822 1.00 0.24 C ATOM 911 CE1 TYR A 58 -20.549 -22.675 -16.532 1.00 75.23 C ATOM 912 CE2 TYR A 58 -21.908 -24.641 -16.435 1.00 44.13 C ATOM 913 CZ TYR A 58 -20.683 -24.026 -16.290 1.00 54.23 C ATOM 914 OH TYR A 58 -19.586 -24.765 -15.900 1.00 40.03 O ATOM 0 H TYR A 58 -24.511 -21.166 -15.099 1.00 15.22 H new ATOM 0 HA TYR A 58 -23.131 -19.842 -17.169 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -25.010 -22.225 -17.158 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -24.144 -21.690 -18.585 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -21.543 -20.880 -17.104 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -23.963 -24.385 -16.936 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -19.587 -22.196 -16.421 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -22.009 -25.700 -16.247 1.00 44.13 H new ATOM 0 HH TYR A 58 -19.851 -25.700 -15.770 1.00 40.03 H new ATOM 924 N LYS A 59 -26.363 -19.393 -17.079 1.00 73.42 N ATOM 925 CA LYS A 59 -27.448 -18.596 -17.638 1.00 51.11 C ATOM 926 C LYS A 59 -27.199 -17.098 -17.429 1.00 44.10 C ATOM 927 O LYS A 59 -27.298 -16.311 -18.371 1.00 22.41 O ATOM 928 CB LYS A 59 -28.783 -18.999 -17.005 1.00 13.12 C ATOM 929 CG LYS A 59 -29.989 -18.291 -17.605 1.00 73.15 C ATOM 930 CD LYS A 59 -31.274 -18.687 -16.897 1.00 61.04 C ATOM 931 CE LYS A 59 -32.492 -18.017 -17.517 1.00 2.45 C ATOM 932 NZ LYS A 59 -32.716 -18.455 -18.920 1.00 73.34 N ATOM 0 H LYS A 59 -26.602 -19.887 -16.219 1.00 73.42 H new ATOM 0 HA LYS A 59 -27.488 -18.788 -18.710 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -28.915 -20.076 -17.114 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -28.745 -18.789 -15.936 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -29.851 -17.212 -17.535 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -30.066 -18.535 -18.665 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -31.394 -19.770 -16.940 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -31.207 -18.415 -15.844 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -33.375 -18.247 -16.920 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -32.363 -16.935 -17.491 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -33.655 -18.140 -19.236 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -31.987 -18.039 -19.534 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -32.663 -19.492 -18.973 1.00 73.34 H new ATOM 946 N VAL A 60 -26.861 -16.708 -16.201 1.00 40.42 N ATOM 947 CA VAL A 60 -26.685 -15.293 -15.873 1.00 13.04 C ATOM 948 C VAL A 60 -25.419 -14.720 -16.520 1.00 62.12 C ATOM 949 O VAL A 60 -25.391 -13.560 -16.936 1.00 21.20 O ATOM 950 CB VAL A 60 -26.664 -15.048 -14.341 1.00 40.25 C ATOM 951 CG1 VAL A 60 -25.453 -15.692 -13.680 1.00 54.03 C ATOM 952 CG2 VAL A 60 -26.718 -13.558 -14.034 1.00 74.32 C ATOM 0 H VAL A 60 -26.704 -17.346 -15.421 1.00 40.42 H new ATOM 0 HA VAL A 60 -27.549 -14.770 -16.283 1.00 13.04 H new ATOM 0 HB VAL A 60 -27.552 -15.522 -13.923 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -25.477 -15.497 -12.608 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -25.473 -16.768 -13.853 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -24.541 -15.273 -14.105 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -26.702 -13.408 -12.954 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -25.856 -13.063 -14.482 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -27.634 -13.135 -14.446 1.00 74.32 H new ATOM 962 N LEU A 61 -24.379 -15.537 -16.621 1.00 32.20 N ATOM 963 CA LEU A 61 -23.149 -15.113 -17.279 1.00 23.13 C ATOM 964 C LEU A 61 -23.246 -15.353 -18.780 1.00 43.05 C ATOM 965 O LEU A 61 -22.463 -14.806 -19.557 1.00 70.44 O ATOM 966 CB LEU A 61 -21.940 -15.855 -16.701 1.00 21.35 C ATOM 967 CG LEU A 61 -21.642 -15.567 -15.228 1.00 63.31 C ATOM 968 CD1 LEU A 61 -20.396 -16.317 -14.784 1.00 14.42 C ATOM 969 CD2 LEU A 61 -21.476 -14.070 -14.997 1.00 52.20 C ATOM 0 H LEU A 61 -24.361 -16.490 -16.259 1.00 32.20 H new ATOM 0 HA LEU A 61 -23.014 -14.046 -17.100 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -22.101 -16.927 -16.820 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -21.060 -15.597 -17.290 1.00 21.35 H new ATOM 0 HG LEU A 61 -22.486 -15.913 -14.631 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -20.197 -16.102 -13.734 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -20.551 -17.388 -14.912 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -19.546 -15.999 -15.387 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -21.265 -13.886 -13.944 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -20.650 -13.698 -15.603 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -22.394 -13.554 -15.279 1.00 52.20 H new ATOM 981 N ASP A 62 -24.229 -16.163 -19.161 1.00 51.31 N ATOM 982 CA ASP A 62 -24.468 -16.545 -20.553 1.00 11.45 C ATOM 983 C ASP A 62 -23.219 -17.172 -21.164 1.00 35.13 C ATOM 984 O ASP A 62 -22.464 -16.524 -21.895 1.00 45.22 O ATOM 985 CB ASP A 62 -24.943 -15.351 -21.387 1.00 14.42 C ATOM 986 CG ASP A 62 -25.533 -15.774 -22.719 1.00 30.25 C ATOM 987 OD1 ASP A 62 -24.778 -15.888 -23.708 1.00 64.21 O ATOM 988 OD2 ASP A 62 -26.763 -15.996 -22.785 1.00 3.33 O ATOM 0 H ASP A 62 -24.891 -16.579 -18.506 1.00 51.31 H new ATOM 0 HA ASP A 62 -25.264 -17.290 -20.561 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -25.690 -14.792 -20.823 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -24.105 -14.677 -21.562 1.00 14.42 H new ATOM 993 N GLY A 63 -22.993 -18.427 -20.820 1.00 4.15 N ATOM 994 CA GLY A 63 -21.845 -19.146 -21.323 1.00 43.43 C ATOM 995 C GLY A 63 -21.969 -20.635 -21.094 1.00 33.13 C ATOM 996 O GLY A 63 -21.444 -21.167 -20.119 1.00 43.24 O ATOM 0 H GLY A 63 -23.591 -18.966 -20.194 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -21.733 -18.951 -22.389 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -20.943 -18.777 -20.835 1.00 43.43 H new ATOM 1000 N LEU A 64 -22.665 -21.309 -21.996 1.00 51.34 N ATOM 1001 CA LEU A 64 -22.878 -22.748 -21.878 1.00 3.45 C ATOM 1002 C LEU A 64 -21.682 -23.523 -22.428 1.00 42.35 C ATOM 1003 O LEU A 64 -21.629 -24.750 -22.342 1.00 0.34 O ATOM 1004 CB LEU A 64 -24.150 -23.157 -22.627 1.00 54.54 C ATOM 1005 CG LEU A 64 -25.429 -22.436 -22.190 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -26.609 -22.889 -23.034 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -25.707 -22.684 -20.716 1.00 63.23 C ATOM 0 H LEU A 64 -23.093 -20.885 -22.819 1.00 51.34 H new ATOM 0 HA LEU A 64 -22.990 -22.989 -20.821 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -23.998 -22.979 -23.692 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -24.297 -24.230 -22.501 1.00 54.54 H new ATOM 0 HG LEU A 64 -25.286 -21.366 -22.338 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -27.510 -22.367 -22.710 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -26.415 -22.662 -24.082 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -26.750 -23.963 -22.915 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -26.619 -22.163 -20.425 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -25.829 -23.753 -20.544 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -24.872 -22.313 -20.121 1.00 63.23 H new ATOM 1019 N ASN A 65 -20.730 -22.795 -22.992 1.00 64.21 N ATOM 1020 CA ASN A 65 -19.569 -23.406 -23.632 1.00 60.20 C ATOM 1021 C ASN A 65 -18.520 -23.828 -22.608 1.00 64.31 C ATOM 1022 O ASN A 65 -18.231 -25.016 -22.454 1.00 34.35 O ATOM 1023 CB ASN A 65 -18.941 -22.440 -24.642 1.00 11.43 C ATOM 1024 CG ASN A 65 -19.740 -22.313 -25.928 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -20.953 -22.525 -25.952 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -19.064 -21.957 -27.007 1.00 54.41 N ATOM 0 H ASN A 65 -20.737 -21.775 -23.021 1.00 64.21 H new ATOM 0 HA ASN A 65 -19.918 -24.298 -24.152 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -18.846 -21.456 -24.183 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -17.933 -22.779 -24.881 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -19.547 -21.849 -27.899 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -18.060 -21.790 -26.947 1.00 54.41 H new ATOM 1033 N ILE A 66 -17.956 -22.854 -21.908 1.00 12.30 N ATOM 1034 CA ILE A 66 -16.871 -23.115 -20.975 1.00 41.44 C ATOM 1035 C ILE A 66 -17.398 -23.712 -19.669 1.00 2.50 C ATOM 1036 O ILE A 66 -18.445 -23.313 -19.167 1.00 31.11 O ATOM 1037 CB ILE A 66 -16.061 -21.827 -20.680 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -14.909 -22.125 -19.712 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -16.964 -20.730 -20.121 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -14.017 -20.935 -19.431 1.00 65.41 C ATOM 0 H ILE A 66 -18.233 -21.874 -21.969 1.00 12.30 H new ATOM 0 HA ILE A 66 -16.207 -23.840 -21.446 1.00 41.44 H new ATOM 0 HB ILE A 66 -15.638 -21.470 -21.619 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -15.323 -22.486 -18.771 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -14.302 -22.932 -20.123 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -16.371 -19.837 -19.922 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -17.743 -20.495 -20.847 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -17.423 -21.074 -19.194 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -13.228 -21.227 -18.739 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -13.572 -20.586 -20.363 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -14.609 -20.133 -18.989 1.00 65.41 H new ATOM 1052 N HIS A 67 -16.674 -24.685 -19.136 1.00 15.31 N ATOM 1053 CA HIS A 67 -17.043 -25.305 -17.875 1.00 41.12 C ATOM 1054 C HIS A 67 -15.924 -25.130 -16.865 1.00 13.15 C ATOM 1055 O HIS A 67 -15.060 -25.992 -16.719 1.00 11.25 O ATOM 1056 CB HIS A 67 -17.357 -26.792 -18.062 1.00 61.24 C ATOM 1057 CG HIS A 67 -18.568 -27.045 -18.904 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -18.505 -27.351 -20.244 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -19.880 -27.028 -18.585 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -19.728 -27.512 -20.713 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -20.581 -27.321 -19.725 1.00 5.34 N ATOM 0 H HIS A 67 -15.826 -25.062 -19.559 1.00 15.31 H new ATOM 0 HA HIS A 67 -17.943 -24.814 -17.504 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -16.497 -27.282 -18.519 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -17.502 -27.250 -17.084 1.00 61.24 H new ATOM 0 HD2 HIS A 67 -20.299 -26.822 -17.611 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -19.987 -27.758 -21.732 1.00 43.30 H new ATOM 0 HE2 HIS A 67 -21.597 -27.382 -19.798 1.00 5.34 H new ATOM 1070 N ALA A 68 -15.928 -23.987 -16.198 1.00 1.04 N ATOM 1071 CA ALA A 68 -14.921 -23.679 -15.197 1.00 21.21 C ATOM 1072 C ALA A 68 -15.569 -23.049 -13.977 1.00 64.03 C ATOM 1073 O ALA A 68 -16.262 -22.036 -14.088 1.00 11.40 O ATOM 1074 CB ALA A 68 -13.861 -22.751 -15.773 1.00 11.23 C ATOM 0 H ALA A 68 -16.623 -23.253 -16.334 1.00 1.04 H new ATOM 0 HA ALA A 68 -14.437 -24.608 -14.895 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -13.115 -22.532 -15.009 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -13.378 -23.233 -16.623 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -14.329 -21.823 -16.100 1.00 11.23 H new ATOM 1080 N ILE A 69 -15.355 -23.650 -12.818 1.00 52.42 N ATOM 1081 CA ILE A 69 -15.937 -23.139 -11.589 1.00 0.05 C ATOM 1082 C ILE A 69 -15.097 -21.983 -11.053 1.00 34.51 C ATOM 1083 O ILE A 69 -14.200 -22.160 -10.226 1.00 0.24 O ATOM 1084 CB ILE A 69 -16.112 -24.235 -10.499 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -17.108 -25.316 -10.949 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -16.589 -23.619 -9.187 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -16.561 -26.291 -11.971 1.00 43.35 C ATOM 0 H ILE A 69 -14.785 -24.488 -12.703 1.00 52.42 H new ATOM 0 HA ILE A 69 -16.937 -22.782 -11.835 1.00 0.05 H new ATOM 0 HB ILE A 69 -15.138 -24.700 -10.346 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -17.438 -25.875 -10.073 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -17.989 -24.829 -11.366 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -16.705 -24.403 -8.438 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -15.856 -22.891 -8.840 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -17.547 -23.123 -9.345 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -17.332 -27.017 -12.230 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -16.258 -25.748 -12.866 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -15.699 -26.811 -11.553 1.00 43.35 H new ATOM 1099 N GLN A 70 -15.364 -20.801 -11.588 1.00 62.22 N ATOM 1100 CA GLN A 70 -14.728 -19.579 -11.119 1.00 45.13 C ATOM 1101 C GLN A 70 -15.726 -18.784 -10.289 1.00 54.23 C ATOM 1102 O GLN A 70 -15.449 -17.674 -9.836 1.00 20.23 O ATOM 1103 CB GLN A 70 -14.228 -18.751 -12.304 1.00 3.32 C ATOM 1104 CG GLN A 70 -13.268 -19.510 -13.206 1.00 45.50 C ATOM 1105 CD GLN A 70 -12.747 -18.662 -14.350 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -11.707 -18.013 -14.235 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -13.463 -18.657 -15.464 1.00 43.43 N ATOM 0 H GLN A 70 -16.023 -20.662 -12.354 1.00 62.22 H new ATOM 0 HA GLN A 70 -13.867 -19.831 -10.499 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -15.083 -18.419 -12.893 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -13.732 -17.856 -11.929 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -12.427 -19.870 -12.614 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -13.772 -20.388 -13.610 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -14.320 -19.208 -15.522 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -13.158 -18.103 -16.264 1.00 43.43 H new ATOM 1116 N ILE A 71 -16.886 -19.387 -10.082 1.00 33.52 N ATOM 1117 CA ILE A 71 -17.946 -18.790 -9.291 1.00 32.34 C ATOM 1118 C ILE A 71 -17.883 -19.339 -7.871 1.00 21.45 C ATOM 1119 O ILE A 71 -17.924 -20.553 -7.657 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.338 -19.073 -9.914 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -20.462 -18.526 -9.028 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -19.535 -20.563 -10.171 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -20.684 -17.037 -9.168 1.00 61.50 C ATOM 0 H ILE A 71 -17.118 -20.306 -10.459 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.804 -17.709 -9.274 1.00 32.34 H new ATOM 0 HB ILE A 71 -19.379 -18.556 -10.873 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -21.389 -19.046 -9.271 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -20.233 -18.753 -7.987 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -20.520 -20.730 -10.608 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -18.768 -20.918 -10.859 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -19.459 -21.108 -9.230 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -21.495 -16.727 -8.509 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -19.772 -16.506 -8.896 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -20.945 -16.804 -10.200 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.754 -18.453 -6.904 1.00 4.42 N ATOM 1136 CA GLN A 72 -17.587 -18.872 -5.529 1.00 11.31 C ATOM 1137 C GLN A 72 -18.860 -18.634 -4.733 1.00 41.51 C ATOM 1138 O GLN A 72 -19.245 -17.496 -4.469 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.403 -18.144 -4.884 1.00 73.05 C ATOM 1140 CG GLN A 72 -16.145 -18.564 -3.445 1.00 75.12 C ATOM 1141 CD GLN A 72 -15.829 -20.042 -3.311 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -15.162 -20.604 -4.311 1.00 74.24 O flip ATOM 1143 NE2 GLN A 72 -16.171 -20.668 -2.309 1.00 23.21 N flip ATOM 0 H GLN A 72 -17.762 -17.443 -7.045 1.00 4.42 H new ATOM 0 HA GLN A 72 -17.378 -19.942 -5.522 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -15.506 -18.330 -5.475 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -16.587 -17.070 -4.914 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -15.315 -17.982 -3.045 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -17.020 -18.328 -2.840 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -16.683 -20.197 -1.563 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -15.943 -21.658 -2.224 1.00 23.21 H new ATOM 1152 N THR A 73 -19.515 -19.720 -4.371 1.00 51.10 N ATOM 1153 CA THR A 73 -20.713 -19.658 -3.558 1.00 71.51 C ATOM 1154 C THR A 73 -20.536 -20.510 -2.305 1.00 31.34 C ATOM 1155 O THR A 73 -19.855 -21.536 -2.337 1.00 0.24 O ATOM 1156 CB THR A 73 -21.950 -20.124 -4.353 1.00 1.24 C ATOM 1157 OG1 THR A 73 -21.655 -21.343 -5.054 1.00 14.45 O ATOM 1158 CG2 THR A 73 -22.395 -19.056 -5.345 1.00 60.22 C ATOM 0 H THR A 73 -19.233 -20.665 -4.631 1.00 51.10 H new ATOM 0 HA THR A 73 -20.875 -18.621 -3.265 1.00 71.51 H new ATOM 0 HB THR A 73 -22.761 -20.299 -3.646 1.00 1.24 H new ATOM 0 HG1 THR A 73 -22.298 -21.464 -5.784 1.00 14.45 H new ATOM 0 HG21 THR A 73 -23.269 -19.409 -5.893 1.00 60.22 H new ATOM 0 HG22 THR A 73 -22.649 -18.143 -4.807 1.00 60.22 H new ATOM 0 HG23 THR A 73 -21.586 -18.851 -6.046 1.00 60.22 H new ATOM 1166 N GLY A 74 -21.135 -20.080 -1.202 1.00 12.20 N ATOM 1167 CA GLY A 74 -20.961 -20.776 0.060 1.00 10.41 C ATOM 1168 C GLY A 74 -21.958 -21.903 0.259 1.00 15.25 C ATOM 1169 O GLY A 74 -22.438 -22.120 1.370 1.00 44.31 O ATOM 0 H GLY A 74 -21.740 -19.260 -1.158 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -19.950 -21.180 0.109 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -21.059 -20.063 0.878 1.00 10.41 H new ATOM 1173 N CYS A 75 -22.261 -22.626 -0.810 1.00 41.31 N ATOM 1174 CA CYS A 75 -23.185 -23.749 -0.728 1.00 31.41 C ATOM 1175 C CYS A 75 -22.407 -25.056 -0.674 1.00 22.14 C ATOM 1176 O CYS A 75 -21.300 -25.157 -1.213 1.00 42.21 O ATOM 1177 CB CYS A 75 -24.147 -23.752 -1.922 1.00 54.21 C ATOM 1178 SG CYS A 75 -25.478 -24.973 -1.796 1.00 1.04 S ATOM 0 H CYS A 75 -21.882 -22.456 -1.742 1.00 41.31 H new ATOM 0 HA CYS A 75 -23.775 -23.647 0.183 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -24.587 -22.760 -2.023 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -23.579 -23.943 -2.832 1.00 54.21 H new ATOM 0 HG CYS A 75 -25.815 -25.372 -2.986 1.00 1.04 H new ATOM 1184 N LYS A 76 -22.979 -26.052 -0.014 1.00 72.44 N ATOM 1185 CA LYS A 76 -22.320 -27.335 0.154 1.00 24.13 C ATOM 1186 C LYS A 76 -23.023 -28.401 -0.680 1.00 65.44 C ATOM 1187 O LYS A 76 -23.877 -29.122 -0.132 1.00 51.21 O ATOM 1188 CB LYS A 76 -22.289 -27.753 1.637 1.00 54.32 C ATOM 1189 CG LYS A 76 -21.437 -26.855 2.532 1.00 62.33 C ATOM 1190 CD LYS A 76 -22.090 -25.503 2.792 1.00 31.01 C ATOM 1191 CE LYS A 76 -21.192 -24.588 3.608 1.00 51.33 C ATOM 1192 NZ LYS A 76 -21.796 -23.240 3.791 1.00 72.41 N ATOM 1193 OXT LYS A 76 -22.732 -28.493 -1.894 1.00 0.00 O ATOM 0 H LYS A 76 -23.903 -25.994 0.415 1.00 72.44 H new ATOM 0 HA LYS A 76 -21.291 -27.235 -0.191 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -23.310 -27.762 2.020 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -21.913 -28.774 1.706 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -21.259 -27.358 3.483 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -20.464 -26.701 2.066 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -22.327 -25.025 1.841 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -23.033 -25.650 3.319 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -21.005 -25.038 4.583 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -20.227 -24.489 3.112 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -21.204 -22.679 4.436 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -21.858 -22.759 2.871 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -22.749 -23.339 4.195 1.00 72.41 H new TER 1207 LYS A 76