USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 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 84 THR OG1 : rot 2:sc= 0.843 USER MOD Set 1.2: A 86 SER OG : rot 88:sc= 0.997 USER MOD Set 1.3: A 89 HIS : no HD1:sc= 0.196 K(o=1.9,f=-3.9!) USER MOD Set 1.4: A 108 ASN : amide:sc= -0.907 K(o=1.9,f=-2.7!) USER MOD Set 1.5: A 132 LYS NZ :NH3+ -114:sc= 0.778 (180deg=-0.144) USER MOD Set 2.1: A 65 GLN : amide:sc= 1.85 K(o=2.3,f=1.2) USER MOD Set 2.2: A 68 THR OG1 : rot -130:sc= 0.49 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.309 K(o=-0.31,f=-0.97) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -131:sc= 1.24 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -0.0159 (180deg=-0.252) USER MOD Single : A 56 ASN : amide:sc= -0.19 K(o=-0.19,f=-5.1!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 73 HIS : no HD1:sc= -0.944 K(o=-0.94,f=-0.044) USER MOD Single : A 76 SER OG : rot -130:sc= 0.735 USER MOD Single : A 95 ASN : amide:sc= -0.342 K(o=-0.34,f=-6.2!) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 110 THR OG1 : rot 94:sc= 0.24 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.259 K(o=0.26,f=-0.33) USER MOD Single : A 118 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.2) USER MOD Single : A 120 GLN : amide:sc= 0.0737 X(o=0.074,f=-0.22) USER MOD Single : A 122 MET CE :methyl -150:sc= -0.9 (180deg=-3.06!) USER MOD Single : A 123 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.062) USER MOD Single : A 124 THR OG1 : rot 46:sc= 0.2 USER MOD Single : A 129 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 -7.209 46.442 57.433 1.00 2.12 N ATOM 58 CA ASN A 5 -6.758 45.051 57.503 1.00 54.12 C ATOM 59 C ASN A 5 -7.930 44.093 57.327 1.00 5.21 C ATOM 60 O ASN A 5 -8.812 44.002 58.201 1.00 25.13 O ATOM 61 CB ASN A 5 -6.077 44.802 58.867 1.00 55.51 C ATOM 62 CG ASN A 5 -5.550 43.387 59.049 1.00 2.22 C ATOM 63 OD1 ASN A 5 -5.133 42.734 58.098 1.00 14.11 O ATOM 64 ND2 ASN A 5 -5.579 42.901 60.273 1.00 73.20 N ATOM 0 HA ASN A 5 -6.046 44.872 56.698 1.00 54.12 H new ATOM 0 HB2 ASN A 5 -5.251 45.504 58.982 1.00 55.51 H new ATOM 0 HB3 ASN A 5 -6.791 45.017 59.662 1.00 55.51 H new ATOM 0 HD21 ASN A 5 -5.248 41.953 60.453 1.00 73.20 H new ATOM 0 HD22 ASN A 5 -5.933 43.472 61.040 1.00 73.20 H new ATOM 71 N GLY A 6 -7.958 43.408 56.213 1.00 31.33 N ATOM 72 CA GLY A 6 -9.021 42.479 55.946 1.00 13.44 C ATOM 73 C GLY A 6 -8.650 41.094 56.380 1.00 44.11 C ATOM 74 O GLY A 6 -7.848 40.422 55.722 1.00 22.03 O ATOM 0 H GLY A 6 -7.256 43.477 55.477 1.00 31.33 H new ATOM 0 HA2 GLY A 6 -9.925 42.796 56.466 1.00 13.44 H new ATOM 0 HA3 GLY A 6 -9.250 42.480 54.880 1.00 13.44 H new ATOM 78 N THR A 7 -9.202 40.667 57.478 1.00 24.21 N ATOM 79 CA THR A 7 -8.907 39.370 58.014 1.00 72.41 C ATOM 80 C THR A 7 -10.044 38.399 57.681 1.00 23.22 C ATOM 81 O THR A 7 -11.207 38.692 57.959 1.00 52.14 O ATOM 82 CB THR A 7 -8.732 39.465 59.549 1.00 24.23 C ATOM 83 OG1 THR A 7 -7.728 40.449 59.856 1.00 63.42 O ATOM 84 CG2 THR A 7 -8.305 38.129 60.137 1.00 75.51 C ATOM 0 H THR A 7 -9.870 41.208 58.027 1.00 24.21 H new ATOM 0 HA THR A 7 -7.982 39.002 57.570 1.00 72.41 H new ATOM 0 HB THR A 7 -9.691 39.749 59.983 1.00 24.23 H new ATOM 0 HG1 THR A 7 -7.617 40.511 60.828 1.00 63.42 H new ATOM 0 HG21 THR A 7 -8.190 38.227 61.217 1.00 75.51 H new ATOM 0 HG22 THR A 7 -9.063 37.377 59.919 1.00 75.51 H new ATOM 0 HG23 THR A 7 -7.355 37.825 59.697 1.00 75.51 H new ATOM 92 N PRO A 8 -9.739 37.258 57.026 1.00 74.41 N ATOM 93 CA PRO A 8 -10.740 36.236 56.757 1.00 20.11 C ATOM 94 C PRO A 8 -11.212 35.612 58.064 1.00 74.32 C ATOM 95 O PRO A 8 -10.418 35.449 59.011 1.00 1.23 O ATOM 96 CB PRO A 8 -10.007 35.205 55.891 1.00 64.42 C ATOM 97 CG PRO A 8 -8.561 35.421 56.172 1.00 42.52 C ATOM 98 CD PRO A 8 -8.403 36.878 56.515 1.00 42.42 C ATOM 0 HA PRO A 8 -11.627 36.630 56.262 1.00 20.11 H new ATOM 0 HB2 PRO A 8 -10.311 34.189 56.145 1.00 64.42 H new ATOM 0 HB3 PRO A 8 -10.229 35.349 54.834 1.00 64.42 H new ATOM 0 HG2 PRO A 8 -8.228 34.790 56.996 1.00 42.52 H new ATOM 0 HG3 PRO A 8 -7.954 35.159 55.305 1.00 42.52 H new ATOM 0 HD2 PRO A 8 -7.627 37.032 57.265 1.00 42.42 H new ATOM 0 HD3 PRO A 8 -8.124 37.468 55.642 1.00 42.42 H new ATOM 106 N GLU A 9 -12.463 35.261 58.117 1.00 23.22 N ATOM 107 CA GLU A 9 -13.056 34.752 59.326 1.00 33.34 C ATOM 108 C GLU A 9 -12.502 33.369 59.635 1.00 10.13 C ATOM 109 O GLU A 9 -12.312 32.556 58.717 1.00 12.45 O ATOM 110 CB GLU A 9 -14.570 34.731 59.196 1.00 4.53 C ATOM 111 CG GLU A 9 -15.160 36.105 58.915 1.00 71.53 C ATOM 112 CD GLU A 9 -16.651 36.075 58.802 1.00 75.15 C ATOM 113 OE1 GLU A 9 -17.323 36.091 59.833 1.00 52.21 O ATOM 114 OE2 GLU A 9 -17.186 36.038 57.668 1.00 12.32 O ATOM 0 H GLU A 9 -13.104 35.318 57.326 1.00 23.22 H new ATOM 0 HA GLU A 9 -12.802 35.408 60.159 1.00 33.34 H new ATOM 0 HB2 GLU A 9 -14.851 34.050 58.393 1.00 4.53 H new ATOM 0 HB3 GLU A 9 -15.003 34.336 60.115 1.00 4.53 H new ATOM 0 HG2 GLU A 9 -14.873 36.790 59.712 1.00 71.53 H new ATOM 0 HG3 GLU A 9 -14.736 36.497 57.990 1.00 71.53 H new ATOM 121 N PRO A 10 -12.211 33.097 60.917 1.00 35.43 N ATOM 122 CA PRO A 10 -11.578 31.863 61.334 1.00 1.23 C ATOM 123 C PRO A 10 -12.369 30.626 60.944 1.00 22.24 C ATOM 124 O PRO A 10 -13.607 30.567 61.119 1.00 55.51 O ATOM 125 CB PRO A 10 -11.419 31.992 62.849 1.00 45.42 C ATOM 126 CG PRO A 10 -12.357 33.066 63.247 1.00 74.22 C ATOM 127 CD PRO A 10 -12.493 33.974 62.062 1.00 14.33 C ATOM 0 HA PRO A 10 -10.620 31.726 60.833 1.00 1.23 H new ATOM 0 HB2 PRO A 10 -11.658 31.055 63.351 1.00 45.42 H new ATOM 0 HB3 PRO A 10 -10.393 32.245 63.117 1.00 45.42 H new ATOM 0 HG2 PRO A 10 -13.324 32.651 63.530 1.00 74.22 H new ATOM 0 HG3 PRO A 10 -11.978 33.611 64.112 1.00 74.22 H new ATOM 0 HD2 PRO A 10 -13.492 34.405 62.000 1.00 14.33 H new ATOM 0 HD3 PRO A 10 -11.790 34.806 62.112 1.00 14.33 H new ATOM 135 N GLN A 11 -11.640 29.667 60.413 1.00 11.35 N ATOM 136 CA GLN A 11 -12.138 28.409 59.895 1.00 3.41 C ATOM 137 C GLN A 11 -12.843 28.617 58.565 1.00 10.42 C ATOM 138 O GLN A 11 -14.074 28.742 58.487 1.00 22.42 O ATOM 139 CB GLN A 11 -13.011 27.608 60.891 1.00 63.43 C ATOM 140 CG GLN A 11 -13.359 26.222 60.378 1.00 13.23 C ATOM 141 CD GLN A 11 -12.118 25.376 60.161 1.00 13.22 C ATOM 142 OE1 GLN A 11 -11.125 25.509 60.875 1.00 14.21 O ATOM 143 NE2 GLN A 11 -12.142 24.554 59.160 1.00 35.41 N ATOM 0 H GLN A 11 -10.627 29.749 60.326 1.00 11.35 H new ATOM 0 HA GLN A 11 -11.260 27.783 59.734 1.00 3.41 H new ATOM 0 HB2 GLN A 11 -12.483 27.518 61.840 1.00 63.43 H new ATOM 0 HB3 GLN A 11 -13.930 28.160 61.088 1.00 63.43 H new ATOM 0 HG2 GLN A 11 -14.018 25.725 61.090 1.00 13.23 H new ATOM 0 HG3 GLN A 11 -13.909 26.308 59.441 1.00 13.23 H new ATOM 0 HE21 GLN A 11 -12.983 24.470 58.589 1.00 35.41 H new ATOM 0 HE22 GLN A 11 -11.320 23.991 58.943 1.00 35.41 H new ATOM 152 N VAL A 12 -12.051 28.718 57.539 1.00 64.31 N ATOM 153 CA VAL A 12 -12.549 28.911 56.207 1.00 23.45 C ATOM 154 C VAL A 12 -12.467 27.592 55.445 1.00 31.45 C ATOM 155 O VAL A 12 -11.486 26.850 55.576 1.00 42.12 O ATOM 156 CB VAL A 12 -11.768 30.053 55.465 1.00 62.42 C ATOM 157 CG1 VAL A 12 -10.276 29.753 55.348 1.00 2.14 C ATOM 158 CG2 VAL A 12 -12.376 30.349 54.097 1.00 33.44 C ATOM 0 H VAL A 12 -11.034 28.669 57.602 1.00 64.31 H new ATOM 0 HA VAL A 12 -13.591 29.226 56.258 1.00 23.45 H new ATOM 0 HB VAL A 12 -11.868 30.948 56.079 1.00 62.42 H new ATOM 0 HG11 VAL A 12 -9.780 30.572 54.828 1.00 2.14 H new ATOM 0 HG12 VAL A 12 -9.848 29.644 56.344 1.00 2.14 H new ATOM 0 HG13 VAL A 12 -10.134 28.828 54.788 1.00 2.14 H new ATOM 0 HG21 VAL A 12 -11.810 31.144 53.612 1.00 33.44 H new ATOM 0 HG22 VAL A 12 -12.340 29.451 53.481 1.00 33.44 H new ATOM 0 HG23 VAL A 12 -13.412 30.664 54.220 1.00 33.44 H new ATOM 168 N GLU A 13 -13.497 27.270 54.717 1.00 51.12 N ATOM 169 CA GLU A 13 -13.520 26.075 53.951 1.00 72.31 C ATOM 170 C GLU A 13 -12.971 26.340 52.563 1.00 54.52 C ATOM 171 O GLU A 13 -13.341 27.325 51.909 1.00 12.32 O ATOM 172 CB GLU A 13 -14.939 25.453 53.869 1.00 1.31 C ATOM 173 CG GLU A 13 -16.047 26.344 53.274 1.00 72.24 C ATOM 174 CD GLU A 13 -16.547 27.418 54.216 1.00 50.52 C ATOM 175 OE1 GLU A 13 -15.888 28.460 54.361 1.00 14.22 O ATOM 176 OE2 GLU A 13 -17.609 27.233 54.841 1.00 63.30 O ATOM 0 H GLU A 13 -14.343 27.836 54.643 1.00 51.12 H new ATOM 0 HA GLU A 13 -12.886 25.347 54.458 1.00 72.31 H new ATOM 0 HB2 GLU A 13 -14.878 24.541 53.274 1.00 1.31 H new ATOM 0 HB3 GLU A 13 -15.241 25.158 54.874 1.00 1.31 H new ATOM 0 HG2 GLU A 13 -15.670 26.817 52.367 1.00 72.24 H new ATOM 0 HG3 GLU A 13 -16.886 25.714 52.980 1.00 72.24 H new ATOM 183 N THR A 14 -12.077 25.505 52.133 1.00 42.44 N ATOM 184 CA THR A 14 -11.540 25.616 50.821 1.00 53.12 C ATOM 185 C THR A 14 -12.492 24.945 49.836 1.00 43.43 C ATOM 186 O THR A 14 -13.199 23.975 50.184 1.00 34.51 O ATOM 187 CB THR A 14 -10.108 25.004 50.715 1.00 51.21 C ATOM 188 OG1 THR A 14 -9.609 25.159 49.381 1.00 4.44 O ATOM 189 CG2 THR A 14 -10.096 23.522 51.091 1.00 24.01 C ATOM 0 H THR A 14 -11.703 24.731 52.682 1.00 42.44 H new ATOM 0 HA THR A 14 -11.442 26.674 50.578 1.00 53.12 H new ATOM 0 HB THR A 14 -9.469 25.538 51.418 1.00 51.21 H new ATOM 0 HG1 THR A 14 -8.710 24.775 49.321 1.00 4.44 H new ATOM 0 HG21 THR A 14 -9.081 23.133 51.005 1.00 24.01 H new ATOM 0 HG22 THR A 14 -10.444 23.404 52.117 1.00 24.01 H new ATOM 0 HG23 THR A 14 -10.754 22.971 50.419 1.00 24.01 H new ATOM 197 N THR A 15 -12.550 25.468 48.648 1.00 25.20 N ATOM 198 CA THR A 15 -13.367 24.919 47.642 1.00 0.45 C ATOM 199 C THR A 15 -12.617 23.800 46.941 1.00 21.32 C ATOM 200 O THR A 15 -11.534 23.995 46.380 1.00 3.23 O ATOM 201 CB THR A 15 -13.896 25.995 46.632 1.00 61.33 C ATOM 202 OG1 THR A 15 -14.608 25.372 45.552 1.00 33.35 O ATOM 203 CG2 THR A 15 -12.780 26.883 46.086 1.00 13.25 C ATOM 0 H THR A 15 -12.023 26.293 48.361 1.00 25.20 H new ATOM 0 HA THR A 15 -14.259 24.508 48.115 1.00 0.45 H new ATOM 0 HB THR A 15 -14.579 26.638 47.187 1.00 61.33 H new ATOM 0 HG1 THR A 15 -14.932 26.060 44.934 1.00 33.35 H new ATOM 0 HG21 THR A 15 -13.201 27.610 45.392 1.00 13.25 H new ATOM 0 HG22 THR A 15 -12.295 27.406 46.910 1.00 13.25 H new ATOM 0 HG23 THR A 15 -12.046 26.267 45.566 1.00 13.25 H new ATOM 211 N SER A 16 -13.116 22.624 47.100 1.00 63.22 N ATOM 212 CA SER A 16 -12.589 21.475 46.431 1.00 45.40 C ATOM 213 C SER A 16 -13.747 20.615 45.951 1.00 63.03 C ATOM 214 O SER A 16 -14.235 19.719 46.656 1.00 3.32 O ATOM 215 CB SER A 16 -11.629 20.714 47.347 1.00 51.43 C ATOM 216 OG SER A 16 -10.589 21.589 47.786 1.00 51.35 O ATOM 0 H SER A 16 -13.912 22.425 47.705 1.00 63.22 H new ATOM 0 HA SER A 16 -12.006 21.776 45.560 1.00 45.40 H new ATOM 0 HB2 SER A 16 -12.169 20.316 48.206 1.00 51.43 H new ATOM 0 HB3 SER A 16 -11.202 19.863 46.816 1.00 51.43 H new ATOM 0 HG SER A 16 -9.976 21.100 48.374 1.00 51.35 H new ATOM 222 N VAL A 17 -14.234 20.957 44.797 1.00 62.22 N ATOM 223 CA VAL A 17 -15.374 20.321 44.205 1.00 14.21 C ATOM 224 C VAL A 17 -15.143 20.308 42.701 1.00 44.11 C ATOM 225 O VAL A 17 -14.335 21.097 42.209 1.00 5.14 O ATOM 226 CB VAL A 17 -16.682 21.115 44.573 1.00 53.50 C ATOM 227 CG1 VAL A 17 -16.662 22.544 44.031 1.00 73.02 C ATOM 228 CG2 VAL A 17 -17.935 20.383 44.129 1.00 54.32 C ATOM 0 H VAL A 17 -13.840 21.705 44.226 1.00 62.22 H new ATOM 0 HA VAL A 17 -15.500 19.303 44.575 1.00 14.21 H new ATOM 0 HB VAL A 17 -16.705 21.179 45.661 1.00 53.50 H new ATOM 0 HG11 VAL A 17 -17.585 23.052 44.310 1.00 73.02 H new ATOM 0 HG12 VAL A 17 -15.811 23.081 44.451 1.00 73.02 H new ATOM 0 HG13 VAL A 17 -16.575 22.520 42.945 1.00 73.02 H new ATOM 0 HG21 VAL A 17 -18.814 20.967 44.403 1.00 54.32 H new ATOM 0 HG22 VAL A 17 -17.913 20.246 43.048 1.00 54.32 H new ATOM 0 HG23 VAL A 17 -17.980 19.409 44.617 1.00 54.32 H new ATOM 616 N GLY A 45 0.604 -15.514 2.798 1.00 13.12 N ATOM 617 CA GLY A 45 1.911 -15.275 3.382 1.00 20.33 C ATOM 618 C GLY A 45 2.446 -13.950 2.890 1.00 3.33 C ATOM 619 O GLY A 45 3.276 -13.303 3.532 1.00 63.20 O ATOM 0 HA2 GLY A 45 1.840 -15.270 4.470 1.00 20.33 H new ATOM 0 HA3 GLY A 45 2.595 -16.079 3.111 1.00 20.33 H new ATOM 623 N SER A 46 1.963 -13.571 1.738 1.00 30.43 N ATOM 624 CA SER A 46 2.248 -12.320 1.127 1.00 3.14 C ATOM 625 C SER A 46 0.895 -11.782 0.686 1.00 10.52 C ATOM 626 O SER A 46 -0.017 -12.568 0.411 1.00 5.03 O ATOM 627 CB SER A 46 3.150 -12.524 -0.095 1.00 51.31 C ATOM 628 OG SER A 46 4.223 -13.429 0.194 1.00 12.33 O ATOM 0 H SER A 46 1.336 -14.155 1.185 1.00 30.43 H new ATOM 0 HA SER A 46 2.765 -11.640 1.804 1.00 3.14 H new ATOM 0 HB2 SER A 46 2.559 -12.911 -0.925 1.00 51.31 H new ATOM 0 HB3 SER A 46 3.557 -11.564 -0.413 1.00 51.31 H new ATOM 0 HG SER A 46 5.070 -13.039 -0.107 1.00 12.33 H new ATOM 634 N ALA A 47 0.750 -10.501 0.625 1.00 21.12 N ATOM 635 CA ALA A 47 -0.514 -9.905 0.256 1.00 32.03 C ATOM 636 C ALA A 47 -0.241 -8.688 -0.578 1.00 42.52 C ATOM 637 O ALA A 47 0.887 -8.204 -0.593 1.00 41.01 O ATOM 638 CB ALA A 47 -1.330 -9.560 1.492 1.00 51.23 C ATOM 0 H ALA A 47 1.492 -9.831 0.826 1.00 21.12 H new ATOM 0 HA ALA A 47 -1.103 -10.614 -0.325 1.00 32.03 H new ATOM 0 HB1 ALA A 47 -2.277 -9.113 1.190 1.00 51.23 H new ATOM 0 HB2 ALA A 47 -1.524 -10.467 2.065 1.00 51.23 H new ATOM 0 HB3 ALA A 47 -0.775 -8.853 2.109 1.00 51.23 H new ATOM 644 N LEU A 48 -1.233 -8.188 -1.255 1.00 33.51 N ATOM 645 CA LEU A 48 -1.014 -7.095 -2.164 1.00 53.22 C ATOM 646 C LEU A 48 -1.808 -5.888 -1.778 1.00 73.44 C ATOM 647 O LEU A 48 -2.880 -5.996 -1.167 1.00 5.34 O ATOM 648 CB LEU A 48 -1.219 -7.492 -3.685 1.00 61.14 C ATOM 649 CG LEU A 48 -2.616 -7.957 -4.229 1.00 45.32 C ATOM 650 CD1 LEU A 48 -3.172 -9.141 -3.491 1.00 63.20 C ATOM 651 CD2 LEU A 48 -3.631 -6.827 -4.299 1.00 22.45 C ATOM 0 H LEU A 48 -2.197 -8.515 -1.198 1.00 33.51 H new ATOM 0 HA LEU A 48 0.040 -6.831 -2.074 1.00 53.22 H new ATOM 0 HB2 LEU A 48 -0.918 -6.631 -4.281 1.00 61.14 H new ATOM 0 HB3 LEU A 48 -0.512 -8.293 -3.902 1.00 61.14 H new ATOM 0 HG LEU A 48 -2.425 -8.281 -5.252 1.00 45.32 H new ATOM 0 HD11 LEU A 48 -4.139 -9.413 -3.915 1.00 63.20 H new ATOM 0 HD12 LEU A 48 -2.486 -9.983 -3.584 1.00 63.20 H new ATOM 0 HD13 LEU A 48 -3.296 -8.888 -2.438 1.00 63.20 H new ATOM 0 HD21 LEU A 48 -4.577 -7.210 -4.682 1.00 22.45 H new ATOM 0 HD22 LEU A 48 -3.785 -6.414 -3.302 1.00 22.45 H new ATOM 0 HD23 LEU A 48 -3.260 -6.046 -4.963 1.00 22.45 H new ATOM 663 N LEU A 49 -1.284 -4.757 -2.103 1.00 20.34 N ATOM 664 CA LEU A 49 -1.962 -3.530 -1.874 1.00 73.43 C ATOM 665 C LEU A 49 -2.394 -2.945 -3.194 1.00 21.14 C ATOM 666 O LEU A 49 -1.672 -3.052 -4.197 1.00 54.52 O ATOM 667 CB LEU A 49 -1.109 -2.548 -1.011 1.00 10.43 C ATOM 668 CG LEU A 49 0.359 -2.246 -1.439 1.00 72.24 C ATOM 669 CD1 LEU A 49 0.448 -1.408 -2.707 1.00 51.34 C ATOM 670 CD2 LEU A 49 1.110 -1.564 -0.310 1.00 60.15 C ATOM 0 H LEU A 49 -0.367 -4.658 -2.538 1.00 20.34 H new ATOM 0 HA LEU A 49 -2.860 -3.717 -1.284 1.00 73.43 H new ATOM 0 HB2 LEU A 49 -1.642 -1.598 -0.970 1.00 10.43 H new ATOM 0 HB3 LEU A 49 -1.081 -2.942 0.005 1.00 10.43 H new ATOM 0 HG LEU A 49 0.823 -3.207 -1.660 1.00 72.24 H new ATOM 0 HD11 LEU A 49 1.495 -1.231 -2.954 1.00 51.34 H new ATOM 0 HD12 LEU A 49 -0.034 -1.939 -3.528 1.00 51.34 H new ATOM 0 HD13 LEU A 49 -0.053 -0.453 -2.548 1.00 51.34 H new ATOM 0 HD21 LEU A 49 2.133 -1.360 -0.625 1.00 60.15 H new ATOM 0 HD22 LEU A 49 0.614 -0.627 -0.057 1.00 60.15 H new ATOM 0 HD23 LEU A 49 1.122 -2.215 0.564 1.00 60.15 H new ATOM 682 N VAL A 50 -3.575 -2.416 -3.225 1.00 31.01 N ATOM 683 CA VAL A 50 -4.071 -1.774 -4.404 1.00 61.43 C ATOM 684 C VAL A 50 -4.202 -0.302 -4.115 1.00 13.24 C ATOM 685 O VAL A 50 -4.726 0.090 -3.055 1.00 0.12 O ATOM 686 CB VAL A 50 -5.457 -2.350 -4.917 1.00 11.55 C ATOM 687 CG1 VAL A 50 -5.369 -3.830 -5.231 1.00 32.52 C ATOM 688 CG2 VAL A 50 -6.594 -2.107 -3.936 1.00 20.23 C ATOM 0 H VAL A 50 -4.223 -2.416 -2.437 1.00 31.01 H new ATOM 0 HA VAL A 50 -3.359 -1.966 -5.207 1.00 61.43 H new ATOM 0 HB VAL A 50 -5.679 -1.804 -5.834 1.00 11.55 H new ATOM 0 HG11 VAL A 50 -6.338 -4.186 -5.579 1.00 32.52 H new ATOM 0 HG12 VAL A 50 -4.622 -3.993 -6.008 1.00 32.52 H new ATOM 0 HG13 VAL A 50 -5.083 -4.376 -4.332 1.00 32.52 H new ATOM 0 HG21 VAL A 50 -7.518 -2.522 -4.339 1.00 20.23 H new ATOM 0 HG22 VAL A 50 -6.364 -2.589 -2.986 1.00 20.23 H new ATOM 0 HG23 VAL A 50 -6.716 -1.035 -3.779 1.00 20.23 H new ATOM 698 N VAL A 51 -3.705 0.516 -4.988 1.00 43.14 N ATOM 699 CA VAL A 51 -3.888 1.921 -4.805 1.00 65.20 C ATOM 700 C VAL A 51 -5.135 2.234 -5.556 1.00 50.40 C ATOM 701 O VAL A 51 -5.190 2.085 -6.786 1.00 60.54 O ATOM 702 CB VAL A 51 -2.692 2.758 -5.368 1.00 1.34 C ATOM 703 CG1 VAL A 51 -2.858 4.228 -5.034 1.00 4.11 C ATOM 704 CG2 VAL A 51 -1.368 2.237 -4.828 1.00 61.32 C ATOM 0 H VAL A 51 -3.180 0.244 -5.819 1.00 43.14 H new ATOM 0 HA VAL A 51 -3.947 2.175 -3.747 1.00 65.20 H new ATOM 0 HB VAL A 51 -2.688 2.651 -6.453 1.00 1.34 H new ATOM 0 HG11 VAL A 51 -2.015 4.790 -5.436 1.00 4.11 H new ATOM 0 HG12 VAL A 51 -3.784 4.599 -5.474 1.00 4.11 H new ATOM 0 HG13 VAL A 51 -2.895 4.353 -3.952 1.00 4.11 H new ATOM 0 HG21 VAL A 51 -0.550 2.833 -5.232 1.00 61.32 H new ATOM 0 HG22 VAL A 51 -1.366 2.308 -3.740 1.00 61.32 H new ATOM 0 HG23 VAL A 51 -1.239 1.196 -5.124 1.00 61.32 H new ATOM 714 N LYS A 52 -6.148 2.629 -4.834 1.00 43.01 N ATOM 715 CA LYS A 52 -7.431 2.822 -5.440 1.00 20.24 C ATOM 716 C LYS A 52 -7.472 4.202 -6.029 1.00 52.51 C ATOM 717 O LYS A 52 -8.091 4.430 -7.060 1.00 62.44 O ATOM 718 CB LYS A 52 -8.553 2.587 -4.421 1.00 45.13 C ATOM 719 CG LYS A 52 -9.909 2.360 -5.061 1.00 43.22 C ATOM 720 CD LYS A 52 -10.990 2.102 -4.033 1.00 55.23 C ATOM 721 CE LYS A 52 -12.317 1.781 -4.705 1.00 33.54 C ATOM 722 NZ LYS A 52 -12.271 0.507 -5.476 1.00 32.25 N ATOM 0 H LYS A 52 -6.108 2.822 -3.833 1.00 43.01 H new ATOM 0 HA LYS A 52 -7.588 2.097 -6.238 1.00 20.24 H new ATOM 0 HB2 LYS A 52 -8.300 1.723 -3.806 1.00 45.13 H new ATOM 0 HB3 LYS A 52 -8.614 3.447 -3.754 1.00 45.13 H new ATOM 0 HG2 LYS A 52 -10.178 3.232 -5.658 1.00 43.22 H new ATOM 0 HG3 LYS A 52 -9.849 1.512 -5.744 1.00 43.22 H new ATOM 0 HD2 LYS A 52 -10.694 1.273 -3.390 1.00 55.23 H new ATOM 0 HD3 LYS A 52 -11.105 2.977 -3.393 1.00 55.23 H new ATOM 0 HE2 LYS A 52 -13.098 1.716 -3.948 1.00 33.54 H new ATOM 0 HE3 LYS A 52 -12.589 2.597 -5.374 1.00 33.54 H new ATOM 0 HZ1 LYS A 52 -13.240 0.201 -5.699 1.00 32.25 H new ATOM 0 HZ2 LYS A 52 -11.742 0.655 -6.359 1.00 32.25 H new ATOM 0 HZ3 LYS A 52 -11.799 -0.225 -4.908 1.00 32.25 H new ATOM 736 N ARG A 53 -6.772 5.104 -5.374 1.00 23.51 N ATOM 737 CA ARG A 53 -6.592 6.447 -5.850 1.00 64.12 C ATOM 738 C ARG A 53 -5.555 7.109 -4.976 1.00 4.53 C ATOM 739 O ARG A 53 -5.798 7.362 -3.791 1.00 72.13 O ATOM 740 CB ARG A 53 -7.891 7.262 -5.820 1.00 54.43 C ATOM 741 CG ARG A 53 -7.793 8.591 -6.562 1.00 42.50 C ATOM 742 CD ARG A 53 -7.930 8.434 -8.090 1.00 13.42 C ATOM 743 NE ARG A 53 -7.023 7.433 -8.697 1.00 0.32 N ATOM 744 CZ ARG A 53 -6.095 7.685 -9.633 1.00 62.43 C ATOM 745 NH1 ARG A 53 -5.808 8.921 -9.978 1.00 4.30 N ATOM 746 NH2 ARG A 53 -5.435 6.686 -10.188 1.00 42.12 N ATOM 0 H ARG A 53 -6.308 4.916 -4.485 1.00 23.51 H new ATOM 0 HA ARG A 53 -6.273 6.408 -6.891 1.00 64.12 H new ATOM 0 HB2 ARG A 53 -8.693 6.668 -6.259 1.00 54.43 H new ATOM 0 HB3 ARG A 53 -8.167 7.453 -4.783 1.00 54.43 H new ATOM 0 HG2 ARG A 53 -8.571 9.263 -6.199 1.00 42.50 H new ATOM 0 HG3 ARG A 53 -6.836 9.060 -6.334 1.00 42.50 H new ATOM 0 HD2 ARG A 53 -8.959 8.158 -8.322 1.00 13.42 H new ATOM 0 HD3 ARG A 53 -7.746 9.401 -8.558 1.00 13.42 H new ATOM 0 HE ARG A 53 -7.111 6.469 -8.376 1.00 0.32 H new ATOM 0 HH11 ARG A 53 -6.293 9.700 -9.533 1.00 4.30 H new ATOM 0 HH12 ARG A 53 -5.101 9.100 -10.691 1.00 4.30 H new ATOM 0 HH21 ARG A 53 -5.631 5.726 -9.905 1.00 42.12 H new ATOM 0 HH22 ARG A 53 -4.729 6.874 -10.900 1.00 42.12 H new ATOM 760 N GLY A 54 -4.401 7.330 -5.525 1.00 44.03 N ATOM 761 CA GLY A 54 -3.352 7.941 -4.780 1.00 64.43 C ATOM 762 C GLY A 54 -2.215 8.342 -5.676 1.00 62.20 C ATOM 763 O GLY A 54 -1.620 7.492 -6.303 1.00 24.41 O ATOM 0 H GLY A 54 -4.164 7.095 -6.489 1.00 44.03 H new ATOM 0 HA2 GLY A 54 -3.735 8.818 -4.259 1.00 64.43 H new ATOM 0 HA3 GLY A 54 -2.992 7.249 -4.018 1.00 64.43 H new ATOM 767 N PRO A 55 -1.906 9.649 -5.761 1.00 52.12 N ATOM 768 CA PRO A 55 -0.805 10.201 -6.598 1.00 3.13 C ATOM 769 C PRO A 55 0.592 9.545 -6.411 1.00 13.32 C ATOM 770 O PRO A 55 1.502 9.776 -7.220 1.00 74.11 O ATOM 771 CB PRO A 55 -0.743 11.654 -6.161 1.00 54.12 C ATOM 772 CG PRO A 55 -2.122 11.976 -5.739 1.00 41.40 C ATOM 773 CD PRO A 55 -2.670 10.736 -5.106 1.00 75.24 C ATOM 0 HA PRO A 55 -1.022 10.023 -7.651 1.00 3.13 H new ATOM 0 HB2 PRO A 55 -0.036 11.792 -5.343 1.00 54.12 H new ATOM 0 HB3 PRO A 55 -0.417 12.300 -6.977 1.00 54.12 H new ATOM 0 HG2 PRO A 55 -2.128 12.807 -5.034 1.00 41.40 H new ATOM 0 HG3 PRO A 55 -2.729 12.277 -6.593 1.00 41.40 H new ATOM 0 HD2 PRO A 55 -2.522 10.737 -4.026 1.00 75.24 H new ATOM 0 HD3 PRO A 55 -3.741 10.636 -5.280 1.00 75.24 H new ATOM 781 N ASN A 56 0.763 8.749 -5.369 1.00 73.42 N ATOM 782 CA ASN A 56 2.035 8.077 -5.115 1.00 34.02 C ATOM 783 C ASN A 56 2.291 6.945 -6.129 1.00 41.31 C ATOM 784 O ASN A 56 3.439 6.661 -6.465 1.00 45.44 O ATOM 785 CB ASN A 56 2.143 7.545 -3.650 1.00 41.10 C ATOM 786 CG ASN A 56 1.006 6.619 -3.186 1.00 61.23 C ATOM 787 OD1 ASN A 56 0.365 5.944 -3.963 1.00 23.15 O ATOM 788 ND2 ASN A 56 0.775 6.578 -1.896 1.00 52.52 N ATOM 0 H ASN A 56 0.037 8.549 -4.681 1.00 73.42 H new ATOM 0 HA ASN A 56 2.813 8.830 -5.245 1.00 34.02 H new ATOM 0 HB2 ASN A 56 3.087 7.009 -3.547 1.00 41.10 H new ATOM 0 HB3 ASN A 56 2.187 8.400 -2.976 1.00 41.10 H new ATOM 0 HD21 ASN A 56 0.044 5.970 -1.528 1.00 52.52 H new ATOM 0 HD22 ASN A 56 1.327 7.155 -1.261 1.00 52.52 H new ATOM 795 N ALA A 57 1.223 6.334 -6.635 1.00 71.45 N ATOM 796 CA ALA A 57 1.322 5.238 -7.579 1.00 41.11 C ATOM 797 C ALA A 57 -0.040 5.054 -8.258 1.00 5.33 C ATOM 798 O ALA A 57 -0.767 6.032 -8.487 1.00 1.21 O ATOM 799 CB ALA A 57 1.743 3.961 -6.836 1.00 0.42 C ATOM 0 H ALA A 57 0.265 6.590 -6.398 1.00 71.45 H new ATOM 0 HA ALA A 57 2.073 5.453 -8.340 1.00 41.11 H new ATOM 0 HB1 ALA A 57 1.818 3.136 -7.544 1.00 0.42 H new ATOM 0 HB2 ALA A 57 2.711 4.119 -6.360 1.00 0.42 H new ATOM 0 HB3 ALA A 57 1.000 3.720 -6.076 1.00 0.42 H new ATOM 805 N GLY A 58 -0.363 3.839 -8.627 1.00 71.45 N ATOM 806 CA GLY A 58 -1.643 3.561 -9.212 1.00 45.40 C ATOM 807 C GLY A 58 -1.670 2.184 -9.776 1.00 20.44 C ATOM 808 O GLY A 58 -1.995 1.983 -10.943 1.00 4.43 O ATOM 0 H GLY A 58 0.247 3.028 -8.531 1.00 71.45 H new ATOM 0 HA2 GLY A 58 -2.424 3.668 -8.459 1.00 45.40 H new ATOM 0 HA3 GLY A 58 -1.856 4.286 -9.997 1.00 45.40 H new ATOM 812 N ALA A 59 -1.329 1.239 -8.959 1.00 5.55 N ATOM 813 CA ALA A 59 -1.233 -0.126 -9.369 1.00 22.41 C ATOM 814 C ALA A 59 -1.443 -0.996 -8.164 1.00 52.44 C ATOM 815 O ALA A 59 -1.847 -0.501 -7.094 1.00 1.54 O ATOM 816 CB ALA A 59 0.146 -0.377 -9.967 1.00 5.43 C ATOM 0 H ALA A 59 -1.107 1.395 -7.976 1.00 5.55 H new ATOM 0 HA ALA A 59 -1.987 -0.354 -10.122 1.00 22.41 H new ATOM 0 HB1 ALA A 59 0.222 -1.418 -10.281 1.00 5.43 H new ATOM 0 HB2 ALA A 59 0.293 0.274 -10.829 1.00 5.43 H new ATOM 0 HB3 ALA A 59 0.911 -0.166 -9.219 1.00 5.43 H new ATOM 822 N ARG A 60 -1.195 -2.255 -8.322 1.00 2.12 N ATOM 823 CA ARG A 60 -1.257 -3.181 -7.245 1.00 52.33 C ATOM 824 C ARG A 60 0.002 -4.001 -7.270 1.00 55.53 C ATOM 825 O ARG A 60 0.462 -4.414 -8.350 1.00 23.11 O ATOM 826 CB ARG A 60 -2.495 -4.087 -7.341 1.00 65.54 C ATOM 827 CG ARG A 60 -2.518 -5.000 -8.549 1.00 31.32 C ATOM 828 CD ARG A 60 -3.732 -5.893 -8.567 1.00 32.23 C ATOM 829 NE ARG A 60 -3.726 -6.743 -9.749 1.00 21.11 N ATOM 830 CZ ARG A 60 -4.799 -7.260 -10.334 1.00 22.51 C ATOM 831 NH1 ARG A 60 -6.002 -7.145 -9.771 1.00 3.45 N ATOM 832 NH2 ARG A 60 -4.656 -7.937 -11.457 1.00 44.24 N ATOM 0 H ARG A 60 -0.940 -2.673 -9.217 1.00 2.12 H new ATOM 0 HA ARG A 60 -1.342 -2.637 -6.304 1.00 52.33 H new ATOM 0 HB2 ARG A 60 -2.553 -4.697 -6.440 1.00 65.54 H new ATOM 0 HB3 ARG A 60 -3.387 -3.460 -7.359 1.00 65.54 H new ATOM 0 HG2 ARG A 60 -2.499 -4.398 -9.457 1.00 31.32 H new ATOM 0 HG3 ARG A 60 -1.618 -5.614 -8.555 1.00 31.32 H new ATOM 0 HD2 ARG A 60 -3.749 -6.510 -7.669 1.00 32.23 H new ATOM 0 HD3 ARG A 60 -4.637 -5.286 -8.554 1.00 32.23 H new ATOM 0 HE ARG A 60 -2.819 -6.960 -10.163 1.00 21.11 H new ATOM 0 HH11 ARG A 60 -6.104 -6.656 -8.882 1.00 3.45 H new ATOM 0 HH12 ARG A 60 -6.820 -7.546 -10.229 1.00 3.45 H new ATOM 0 HH21 ARG A 60 -3.729 -8.058 -11.865 1.00 44.24 H new ATOM 0 HH22 ARG A 60 -5.472 -8.340 -11.917 1.00 44.24 H new ATOM 846 N PHE A 61 0.587 -4.201 -6.137 1.00 23.13 N ATOM 847 CA PHE A 61 1.773 -5.000 -6.062 1.00 35.11 C ATOM 848 C PHE A 61 1.803 -5.809 -4.802 1.00 31.12 C ATOM 849 O PHE A 61 1.345 -5.355 -3.739 1.00 31.01 O ATOM 850 CB PHE A 61 3.077 -4.195 -6.300 1.00 42.24 C ATOM 851 CG PHE A 61 3.320 -2.997 -5.412 1.00 43.24 C ATOM 852 CD1 PHE A 61 3.991 -3.131 -4.209 1.00 61.04 C ATOM 853 CD2 PHE A 61 2.910 -1.729 -5.808 1.00 23.11 C ATOM 854 CE1 PHE A 61 4.248 -2.029 -3.415 1.00 13.23 C ATOM 855 CE2 PHE A 61 3.159 -0.626 -5.013 1.00 51.22 C ATOM 856 CZ PHE A 61 3.831 -0.776 -3.816 1.00 74.12 C ATOM 0 H PHE A 61 0.266 -3.823 -5.246 1.00 23.13 H new ATOM 0 HA PHE A 61 1.730 -5.703 -6.894 1.00 35.11 H new ATOM 0 HB2 PHE A 61 3.920 -4.876 -6.187 1.00 42.24 H new ATOM 0 HB3 PHE A 61 3.080 -3.854 -7.335 1.00 42.24 H new ATOM 0 HD1 PHE A 61 4.318 -4.109 -3.887 1.00 61.04 H new ATOM 0 HD2 PHE A 61 2.391 -1.604 -6.747 1.00 23.11 H new ATOM 0 HE1 PHE A 61 4.775 -2.149 -2.480 1.00 13.23 H new ATOM 0 HE2 PHE A 61 2.828 0.353 -5.328 1.00 51.22 H new ATOM 0 HZ PHE A 61 4.030 0.085 -3.195 1.00 74.12 H new ATOM 866 N LEU A 62 2.284 -7.013 -4.937 1.00 54.23 N ATOM 867 CA LEU A 62 2.374 -7.954 -3.859 1.00 34.13 C ATOM 868 C LEU A 62 3.534 -7.576 -2.963 1.00 21.01 C ATOM 869 O LEU A 62 4.646 -7.316 -3.450 1.00 14.14 O ATOM 870 CB LEU A 62 2.613 -9.354 -4.441 1.00 33.55 C ATOM 871 CG LEU A 62 2.606 -10.524 -3.465 1.00 3.20 C ATOM 872 CD1 LEU A 62 1.205 -10.799 -2.963 1.00 55.21 C ATOM 873 CD2 LEU A 62 3.200 -11.760 -4.112 1.00 5.22 C ATOM 0 H LEU A 62 2.633 -7.375 -5.824 1.00 54.23 H new ATOM 0 HA LEU A 62 1.451 -7.947 -3.280 1.00 34.13 H new ATOM 0 HB2 LEU A 62 1.850 -9.540 -5.197 1.00 33.55 H new ATOM 0 HB3 LEU A 62 3.575 -9.347 -4.953 1.00 33.55 H new ATOM 0 HG LEU A 62 3.223 -10.257 -2.607 1.00 3.20 H new ATOM 0 HD11 LEU A 62 1.226 -11.638 -2.268 1.00 55.21 H new ATOM 0 HD12 LEU A 62 0.821 -9.915 -2.453 1.00 55.21 H new ATOM 0 HD13 LEU A 62 0.558 -11.042 -3.806 1.00 55.21 H new ATOM 0 HD21 LEU A 62 3.187 -12.585 -3.400 1.00 5.22 H new ATOM 0 HD22 LEU A 62 2.613 -12.029 -4.990 1.00 5.22 H new ATOM 0 HD23 LEU A 62 4.228 -11.556 -4.411 1.00 5.22 H new ATOM 885 N LEU A 63 3.288 -7.503 -1.686 1.00 52.12 N ATOM 886 CA LEU A 63 4.329 -7.238 -0.751 1.00 51.13 C ATOM 887 C LEU A 63 4.969 -8.539 -0.371 1.00 3.35 C ATOM 888 O LEU A 63 4.337 -9.409 0.236 1.00 72.23 O ATOM 889 CB LEU A 63 3.809 -6.523 0.499 1.00 52.12 C ATOM 890 CG LEU A 63 3.185 -5.142 0.293 1.00 65.04 C ATOM 891 CD1 LEU A 63 2.779 -4.556 1.629 1.00 22.05 C ATOM 892 CD2 LEU A 63 4.153 -4.209 -0.418 1.00 13.00 C ATOM 0 H LEU A 63 2.364 -7.626 -1.271 1.00 52.12 H new ATOM 0 HA LEU A 63 5.057 -6.574 -1.218 1.00 51.13 H new ATOM 0 HB2 LEU A 63 3.066 -7.164 0.973 1.00 52.12 H new ATOM 0 HB3 LEU A 63 4.636 -6.421 1.201 1.00 52.12 H new ATOM 0 HG LEU A 63 2.300 -5.253 -0.333 1.00 65.04 H new ATOM 0 HD11 LEU A 63 2.335 -3.572 1.475 1.00 22.05 H new ATOM 0 HD12 LEU A 63 2.051 -5.211 2.108 1.00 22.05 H new ATOM 0 HD13 LEU A 63 3.658 -4.462 2.267 1.00 22.05 H new ATOM 0 HD21 LEU A 63 3.686 -3.234 -0.553 1.00 13.00 H new ATOM 0 HD22 LEU A 63 5.058 -4.099 0.180 1.00 13.00 H new ATOM 0 HD23 LEU A 63 4.411 -4.625 -1.392 1.00 13.00 H new ATOM 904 N ASP A 64 6.198 -8.659 -0.744 1.00 15.32 N ATOM 905 CA ASP A 64 7.016 -9.823 -0.485 1.00 1.32 C ATOM 906 C ASP A 64 8.415 -9.264 -0.386 1.00 73.41 C ATOM 907 O ASP A 64 9.390 -9.825 -0.843 1.00 65.41 O ATOM 908 CB ASP A 64 6.890 -10.808 -1.674 1.00 71.23 C ATOM 909 CG ASP A 64 7.447 -12.195 -1.382 1.00 61.13 C ATOM 910 OD1 ASP A 64 6.721 -13.018 -0.784 1.00 1.34 O ATOM 911 OD2 ASP A 64 8.607 -12.502 -1.768 1.00 33.50 O ATOM 0 H ASP A 64 6.690 -7.928 -1.258 1.00 15.32 H new ATOM 0 HA ASP A 64 6.731 -10.372 0.412 1.00 1.32 H new ATOM 0 HB2 ASP A 64 5.839 -10.899 -1.949 1.00 71.23 H new ATOM 0 HB3 ASP A 64 7.411 -10.391 -2.536 1.00 71.23 H new ATOM 916 N GLN A 65 8.469 -8.106 0.196 1.00 71.13 N ATOM 917 CA GLN A 65 9.664 -7.325 0.314 1.00 0.33 C ATOM 918 C GLN A 65 9.751 -6.829 1.735 1.00 10.32 C ATOM 919 O GLN A 65 8.758 -6.288 2.241 1.00 62.31 O ATOM 920 CB GLN A 65 9.576 -6.175 -0.688 1.00 33.22 C ATOM 921 CG GLN A 65 10.627 -5.106 -0.586 1.00 50.32 C ATOM 922 CD GLN A 65 10.522 -4.153 -1.743 1.00 73.34 C ATOM 923 OE1 GLN A 65 11.189 -4.327 -2.769 1.00 33.34 O ATOM 924 NE2 GLN A 65 9.631 -3.200 -1.640 1.00 1.35 N ATOM 0 H GLN A 65 7.653 -7.662 0.617 1.00 71.13 H new ATOM 0 HA GLN A 65 10.562 -7.902 0.094 1.00 0.33 H new ATOM 0 HB2 GLN A 65 9.616 -6.596 -1.693 1.00 33.22 H new ATOM 0 HB3 GLN A 65 8.600 -5.703 -0.579 1.00 33.22 H new ATOM 0 HG2 GLN A 65 10.512 -4.563 0.352 1.00 50.32 H new ATOM 0 HG3 GLN A 65 11.617 -5.561 -0.571 1.00 50.32 H new ATOM 0 HE21 GLN A 65 9.101 -3.089 -0.776 1.00 1.35 H new ATOM 0 HE22 GLN A 65 9.467 -2.568 -2.424 1.00 1.35 H new ATOM 933 N PRO A 66 10.916 -7.044 2.406 1.00 62.32 N ATOM 934 CA PRO A 66 11.117 -6.719 3.816 1.00 51.40 C ATOM 935 C PRO A 66 10.602 -5.345 4.201 1.00 75.34 C ATOM 936 O PRO A 66 9.808 -5.216 5.137 1.00 15.24 O ATOM 937 CB PRO A 66 12.637 -6.805 4.040 1.00 61.15 C ATOM 938 CG PRO A 66 13.241 -7.214 2.735 1.00 62.33 C ATOM 939 CD PRO A 66 12.128 -7.641 1.819 1.00 70.01 C ATOM 0 HA PRO A 66 10.553 -7.412 4.441 1.00 51.40 H new ATOM 0 HB2 PRO A 66 13.035 -5.844 4.366 1.00 61.15 H new ATOM 0 HB3 PRO A 66 12.873 -7.529 4.820 1.00 61.15 H new ATOM 0 HG2 PRO A 66 13.798 -6.386 2.297 1.00 62.33 H new ATOM 0 HG3 PRO A 66 13.948 -8.031 2.882 1.00 62.33 H new ATOM 0 HD2 PRO A 66 12.293 -7.285 0.802 1.00 70.01 H new ATOM 0 HD3 PRO A 66 12.051 -8.727 1.768 1.00 70.01 H new ATOM 947 N THR A 67 11.055 -4.317 3.522 1.00 10.14 N ATOM 948 CA THR A 67 10.599 -2.996 3.828 1.00 71.24 C ATOM 949 C THR A 67 10.299 -2.168 2.585 1.00 2.40 C ATOM 950 O THR A 67 11.195 -1.598 1.952 1.00 44.35 O ATOM 951 CB THR A 67 11.564 -2.261 4.770 1.00 54.52 C ATOM 952 OG1 THR A 67 11.737 -3.065 5.946 1.00 12.03 O ATOM 953 CG2 THR A 67 11.000 -0.903 5.179 1.00 44.32 C ATOM 0 H THR A 67 11.733 -4.376 2.762 1.00 10.14 H new ATOM 0 HA THR A 67 9.652 -3.121 4.354 1.00 71.24 H new ATOM 0 HB THR A 67 12.512 -2.100 4.257 1.00 54.52 H new ATOM 0 HG1 THR A 67 12.352 -2.615 6.562 1.00 12.03 H new ATOM 0 HG21 THR A 67 11.703 -0.403 5.846 1.00 44.32 H new ATOM 0 HG22 THR A 67 10.845 -0.291 4.291 1.00 44.32 H new ATOM 0 HG23 THR A 67 10.049 -1.044 5.693 1.00 44.32 H new ATOM 961 N THR A 68 9.054 -2.106 2.243 1.00 32.33 N ATOM 962 CA THR A 68 8.624 -1.281 1.174 1.00 61.41 C ATOM 963 C THR A 68 8.520 0.134 1.736 1.00 75.12 C ATOM 964 O THR A 68 7.704 0.407 2.617 1.00 45.22 O ATOM 965 CB THR A 68 7.262 -1.777 0.663 1.00 32.23 C ATOM 966 OG1 THR A 68 7.402 -3.151 0.258 1.00 30.42 O ATOM 967 CG2 THR A 68 6.759 -0.947 -0.508 1.00 61.54 C ATOM 0 H THR A 68 8.308 -2.629 2.701 1.00 32.33 H new ATOM 0 HA THR A 68 9.317 -1.305 0.333 1.00 61.41 H new ATOM 0 HB THR A 68 6.532 -1.681 1.467 1.00 32.23 H new ATOM 0 HG1 THR A 68 7.028 -3.267 -0.640 1.00 30.42 H new ATOM 0 HG21 THR A 68 5.794 -1.331 -0.838 1.00 61.54 H new ATOM 0 HG22 THR A 68 6.649 0.092 -0.197 1.00 61.54 H new ATOM 0 HG23 THR A 68 7.473 -1.006 -1.329 1.00 61.54 H new ATOM 975 N THR A 69 9.367 1.000 1.275 1.00 14.14 N ATOM 976 CA THR A 69 9.424 2.325 1.810 1.00 43.02 C ATOM 977 C THR A 69 8.869 3.325 0.806 1.00 3.03 C ATOM 978 O THR A 69 9.259 3.316 -0.376 1.00 62.41 O ATOM 979 CB THR A 69 10.880 2.673 2.174 1.00 62.33 C ATOM 980 OG1 THR A 69 11.420 1.628 3.009 1.00 70.44 O ATOM 981 CG2 THR A 69 10.966 4.007 2.902 1.00 55.54 C ATOM 0 H THR A 69 10.032 0.812 0.525 1.00 14.14 H new ATOM 0 HA THR A 69 8.813 2.374 2.711 1.00 43.02 H new ATOM 0 HB THR A 69 11.457 2.756 1.253 1.00 62.33 H new ATOM 0 HG1 THR A 69 12.347 1.842 3.243 1.00 70.44 H new ATOM 0 HG21 THR A 69 12.007 4.223 3.144 1.00 55.54 H new ATOM 0 HG22 THR A 69 10.571 4.797 2.263 1.00 55.54 H new ATOM 0 HG23 THR A 69 10.382 3.958 3.821 1.00 55.54 H new ATOM 989 N ALA A 70 7.940 4.134 1.254 1.00 15.44 N ATOM 990 CA ALA A 70 7.357 5.157 0.439 1.00 71.23 C ATOM 991 C ALA A 70 7.918 6.500 0.862 1.00 70.20 C ATOM 992 O ALA A 70 7.787 6.899 2.040 1.00 13.21 O ATOM 993 CB ALA A 70 5.840 5.139 0.567 1.00 72.24 C ATOM 0 H ALA A 70 7.568 4.096 2.203 1.00 15.44 H new ATOM 0 HA ALA A 70 7.603 4.978 -0.608 1.00 71.23 H new ATOM 0 HB1 ALA A 70 5.413 5.923 -0.059 1.00 72.24 H new ATOM 0 HB2 ALA A 70 5.459 4.170 0.245 1.00 72.24 H new ATOM 0 HB3 ALA A 70 5.560 5.312 1.606 1.00 72.24 H new ATOM 999 N GLY A 71 8.558 7.166 -0.061 1.00 24.21 N ATOM 1000 CA GLY A 71 9.143 8.444 0.208 1.00 14.34 C ATOM 1001 C GLY A 71 10.223 8.751 -0.786 1.00 42.34 C ATOM 1002 O GLY A 71 9.999 8.649 -1.988 1.00 1.54 O ATOM 0 H GLY A 71 8.686 6.836 -1.017 1.00 24.21 H new ATOM 0 HA2 GLY A 71 8.375 9.217 0.169 1.00 14.34 H new ATOM 0 HA3 GLY A 71 9.556 8.456 1.217 1.00 14.34 H new ATOM 1006 N ARG A 72 11.387 9.089 -0.294 1.00 14.10 N ATOM 1007 CA ARG A 72 12.530 9.397 -1.123 1.00 74.24 C ATOM 1008 C ARG A 72 13.824 9.129 -0.357 1.00 72.01 C ATOM 1009 O ARG A 72 14.372 10.014 0.316 1.00 70.04 O ATOM 1010 CB ARG A 72 12.499 10.850 -1.629 1.00 52.41 C ATOM 1011 CG ARG A 72 13.684 11.218 -2.520 1.00 1.23 C ATOM 1012 CD ARG A 72 13.674 12.688 -2.874 1.00 25.23 C ATOM 1013 NE ARG A 72 12.505 13.061 -3.666 1.00 15.22 N ATOM 1014 CZ ARG A 72 11.963 14.284 -3.706 1.00 20.41 C ATOM 1015 NH1 ARG A 72 12.440 15.262 -2.937 1.00 34.45 N ATOM 1016 NH2 ARG A 72 10.941 14.527 -4.515 1.00 72.02 N ATOM 0 H ARG A 72 11.573 9.160 0.706 1.00 14.10 H new ATOM 0 HA ARG A 72 12.488 8.747 -1.997 1.00 74.24 H new ATOM 0 HB2 ARG A 72 11.575 11.012 -2.184 1.00 52.41 H new ATOM 0 HB3 ARG A 72 12.478 11.523 -0.772 1.00 52.41 H new ATOM 0 HG2 ARG A 72 14.615 10.972 -2.009 1.00 1.23 H new ATOM 0 HG3 ARG A 72 13.654 10.622 -3.432 1.00 1.23 H new ATOM 0 HD2 ARG A 72 13.693 13.280 -1.959 1.00 25.23 H new ATOM 0 HD3 ARG A 72 14.579 12.931 -3.430 1.00 25.23 H new ATOM 0 HE ARG A 72 12.068 12.334 -4.232 1.00 15.22 H new ATOM 0 HH11 ARG A 72 13.225 15.082 -2.311 1.00 34.45 H new ATOM 0 HH12 ARG A 72 12.020 16.191 -2.974 1.00 34.45 H new ATOM 0 HH21 ARG A 72 10.570 13.783 -5.105 1.00 72.02 H new ATOM 0 HH22 ARG A 72 10.526 15.458 -4.547 1.00 72.02 H new ATOM 1030 N HIS A 73 14.233 7.908 -0.385 1.00 42.43 N ATOM 1031 CA HIS A 73 15.480 7.458 0.184 1.00 61.14 C ATOM 1032 C HIS A 73 16.113 6.492 -0.802 1.00 72.35 C ATOM 1033 O HIS A 73 15.446 6.087 -1.767 1.00 45.22 O ATOM 1034 CB HIS A 73 15.253 6.758 1.561 1.00 72.05 C ATOM 1035 CG HIS A 73 15.124 7.700 2.729 1.00 24.12 C ATOM 1036 ND1 HIS A 73 14.199 7.572 3.747 1.00 33.33 N ATOM 1037 CD2 HIS A 73 15.884 8.765 3.061 1.00 30.41 C ATOM 1038 CE1 HIS A 73 14.433 8.537 4.633 1.00 65.44 C ATOM 1039 NE2 HIS A 73 15.443 9.292 4.263 1.00 44.11 N ATOM 0 H HIS A 73 13.695 7.158 -0.819 1.00 42.43 H new ATOM 0 HA HIS A 73 16.135 8.311 0.363 1.00 61.14 H new ATOM 0 HB2 HIS A 73 14.351 6.150 1.500 1.00 72.05 H new ATOM 0 HB3 HIS A 73 16.084 6.078 1.749 1.00 72.05 H new ATOM 0 HD2 HIS A 73 16.709 9.147 2.479 1.00 30.41 H new ATOM 0 HE1 HIS A 73 13.865 8.681 5.540 1.00 65.44 H new ATOM 0 HE2 HIS A 73 15.823 10.099 4.758 1.00 44.11 H new ATOM 1047 N PRO A 74 17.410 6.127 -0.630 1.00 11.42 N ATOM 1048 CA PRO A 74 18.059 5.101 -1.470 1.00 31.41 C ATOM 1049 C PRO A 74 17.337 3.749 -1.346 1.00 3.30 C ATOM 1050 O PRO A 74 17.430 2.887 -2.217 1.00 41.34 O ATOM 1051 CB PRO A 74 19.489 5.006 -0.903 1.00 54.13 C ATOM 1052 CG PRO A 74 19.431 5.676 0.431 1.00 74.24 C ATOM 1053 CD PRO A 74 18.372 6.730 0.318 1.00 10.21 C ATOM 0 HA PRO A 74 18.040 5.357 -2.529 1.00 31.41 H new ATOM 0 HB2 PRO A 74 19.806 3.967 -0.808 1.00 54.13 H new ATOM 0 HB3 PRO A 74 20.206 5.499 -1.560 1.00 54.13 H new ATOM 0 HG2 PRO A 74 19.187 4.961 1.217 1.00 74.24 H new ATOM 0 HG3 PRO A 74 20.394 6.117 0.689 1.00 74.24 H new ATOM 0 HD2 PRO A 74 17.910 6.944 1.282 1.00 10.21 H new ATOM 0 HD3 PRO A 74 18.775 7.670 -0.058 1.00 10.21 H new ATOM 1061 N GLU A 75 16.614 3.595 -0.261 1.00 11.04 N ATOM 1062 CA GLU A 75 15.826 2.440 0.008 1.00 21.14 C ATOM 1063 C GLU A 75 14.370 2.848 -0.036 1.00 72.52 C ATOM 1064 O GLU A 75 13.768 3.187 0.971 1.00 22.55 O ATOM 1065 CB GLU A 75 16.183 1.826 1.371 1.00 22.32 C ATOM 1066 CG GLU A 75 17.598 1.274 1.451 1.00 22.11 C ATOM 1067 CD GLU A 75 17.807 0.074 0.550 1.00 44.11 C ATOM 1068 OE1 GLU A 75 17.846 0.231 -0.680 1.00 41.02 O ATOM 1069 OE2 GLU A 75 17.926 -1.059 1.063 1.00 61.22 O ATOM 0 H GLU A 75 16.564 4.299 0.475 1.00 11.04 H new ATOM 0 HA GLU A 75 16.024 1.675 -0.743 1.00 21.14 H new ATOM 0 HB2 GLU A 75 16.056 2.584 2.144 1.00 22.32 H new ATOM 0 HB3 GLU A 75 15.478 1.024 1.592 1.00 22.32 H new ATOM 0 HG2 GLU A 75 18.305 2.057 1.177 1.00 22.11 H new ATOM 0 HG3 GLU A 75 17.817 0.993 2.481 1.00 22.11 H new ATOM 1076 N SER A 76 13.872 2.972 -1.219 1.00 31.35 N ATOM 1077 CA SER A 76 12.485 3.302 -1.440 1.00 30.42 C ATOM 1078 C SER A 76 11.924 2.493 -2.587 1.00 63.03 C ATOM 1079 O SER A 76 12.661 2.078 -3.478 1.00 2.22 O ATOM 1080 CB SER A 76 12.319 4.799 -1.681 1.00 41.04 C ATOM 1081 OG SER A 76 12.777 5.519 -0.550 1.00 32.24 O ATOM 0 H SER A 76 14.412 2.848 -2.075 1.00 31.35 H new ATOM 0 HA SER A 76 11.920 3.047 -0.544 1.00 30.42 H new ATOM 0 HB2 SER A 76 12.880 5.099 -2.566 1.00 41.04 H new ATOM 0 HB3 SER A 76 11.272 5.032 -1.873 1.00 41.04 H new ATOM 0 HG SER A 76 12.097 6.170 -0.279 1.00 32.24 H new ATOM 1087 N ASP A 77 10.640 2.244 -2.537 1.00 25.33 N ATOM 1088 CA ASP A 77 9.977 1.444 -3.552 1.00 4.05 C ATOM 1089 C ASP A 77 9.193 2.358 -4.465 1.00 21.22 C ATOM 1090 O ASP A 77 9.286 2.271 -5.686 1.00 3.22 O ATOM 1091 CB ASP A 77 9.033 0.439 -2.894 1.00 73.23 C ATOM 1092 CG ASP A 77 8.482 -0.595 -3.862 1.00 35.13 C ATOM 1093 OD1 ASP A 77 7.529 -0.311 -4.593 1.00 50.32 O ATOM 1094 OD2 ASP A 77 9.010 -1.727 -3.872 1.00 1.24 O ATOM 0 H ASP A 77 10.023 2.584 -1.800 1.00 25.33 H new ATOM 0 HA ASP A 77 10.724 0.898 -4.128 1.00 4.05 H new ATOM 0 HB2 ASP A 77 9.562 -0.073 -2.090 1.00 73.23 H new ATOM 0 HB3 ASP A 77 8.202 0.977 -2.437 1.00 73.23 H new ATOM 1099 N ILE A 78 8.451 3.267 -3.861 1.00 70.23 N ATOM 1100 CA ILE A 78 7.644 4.227 -4.586 1.00 21.45 C ATOM 1101 C ILE A 78 7.856 5.614 -4.007 1.00 0.51 C ATOM 1102 O ILE A 78 8.249 5.758 -2.834 1.00 35.32 O ATOM 1103 CB ILE A 78 6.118 3.892 -4.550 1.00 51.02 C ATOM 1104 CG1 ILE A 78 5.607 3.765 -3.097 1.00 24.32 C ATOM 1105 CG2 ILE A 78 5.811 2.632 -5.359 1.00 1.00 C ATOM 1106 CD1 ILE A 78 4.107 3.546 -2.978 1.00 45.31 C ATOM 0 H ILE A 78 8.392 3.360 -2.847 1.00 70.23 H new ATOM 0 HA ILE A 78 7.966 4.185 -5.627 1.00 21.45 H new ATOM 0 HB ILE A 78 5.585 4.721 -5.015 1.00 51.02 H new ATOM 0 HG12 ILE A 78 6.123 2.935 -2.614 1.00 24.32 H new ATOM 0 HG13 ILE A 78 5.875 4.669 -2.550 1.00 24.32 H new ATOM 0 HG21 ILE A 78 4.742 2.423 -5.316 1.00 1.00 H new ATOM 0 HG22 ILE A 78 6.110 2.784 -6.396 1.00 1.00 H new ATOM 0 HG23 ILE A 78 6.362 1.789 -4.943 1.00 1.00 H new ATOM 0 HD11 ILE A 78 3.833 3.468 -1.926 1.00 45.31 H new ATOM 0 HD12 ILE A 78 3.580 4.387 -3.429 1.00 45.31 H new ATOM 0 HD13 ILE A 78 3.832 2.626 -3.494 1.00 45.31 H new ATOM 1118 N PHE A 79 7.607 6.609 -4.812 1.00 12.44 N ATOM 1119 CA PHE A 79 7.731 7.990 -4.409 1.00 25.21 C ATOM 1120 C PHE A 79 6.377 8.666 -4.571 1.00 74.45 C ATOM 1121 O PHE A 79 5.683 8.440 -5.562 1.00 71.12 O ATOM 1122 CB PHE A 79 8.830 8.727 -5.224 1.00 61.23 C ATOM 1123 CG PHE A 79 8.568 8.841 -6.713 1.00 21.32 C ATOM 1124 CD1 PHE A 79 8.861 7.789 -7.569 1.00 2.23 C ATOM 1125 CD2 PHE A 79 8.035 10.005 -7.247 1.00 64.11 C ATOM 1126 CE1 PHE A 79 8.624 7.894 -8.922 1.00 40.42 C ATOM 1127 CE2 PHE A 79 7.796 10.115 -8.598 1.00 3.05 C ATOM 1128 CZ PHE A 79 8.091 9.058 -9.438 1.00 24.45 C ATOM 0 H PHE A 79 7.308 6.487 -5.780 1.00 12.44 H new ATOM 0 HA PHE A 79 8.039 8.034 -3.364 1.00 25.21 H new ATOM 0 HB2 PHE A 79 8.950 9.730 -4.815 1.00 61.23 H new ATOM 0 HB3 PHE A 79 9.777 8.208 -5.077 1.00 61.23 H new ATOM 0 HD1 PHE A 79 9.280 6.877 -7.170 1.00 2.23 H new ATOM 0 HD2 PHE A 79 7.805 10.835 -6.595 1.00 64.11 H new ATOM 0 HE1 PHE A 79 8.855 7.067 -9.578 1.00 40.42 H new ATOM 0 HE2 PHE A 79 7.379 11.026 -9.001 1.00 3.05 H new ATOM 0 HZ PHE A 79 7.904 9.143 -10.498 1.00 24.45 H new ATOM 1138 N LEU A 80 5.989 9.430 -3.595 1.00 41.30 N ATOM 1139 CA LEU A 80 4.727 10.114 -3.596 1.00 11.35 C ATOM 1140 C LEU A 80 4.760 11.317 -4.532 1.00 2.11 C ATOM 1141 O LEU A 80 5.380 12.342 -4.224 1.00 52.32 O ATOM 1142 CB LEU A 80 4.315 10.576 -2.174 1.00 2.43 C ATOM 1143 CG LEU A 80 4.104 9.498 -1.084 1.00 61.20 C ATOM 1144 CD1 LEU A 80 5.406 8.852 -0.639 1.00 1.21 C ATOM 1145 CD2 LEU A 80 3.392 10.094 0.098 1.00 3.30 C ATOM 0 H LEU A 80 6.549 9.600 -2.760 1.00 41.30 H new ATOM 0 HA LEU A 80 3.984 9.400 -3.951 1.00 11.35 H new ATOM 0 HB2 LEU A 80 5.078 11.267 -1.815 1.00 2.43 H new ATOM 0 HB3 LEU A 80 3.389 11.143 -2.264 1.00 2.43 H new ATOM 0 HG LEU A 80 3.492 8.711 -1.525 1.00 61.20 H new ATOM 0 HD11 LEU A 80 5.198 8.104 0.126 1.00 1.21 H new ATOM 0 HD12 LEU A 80 5.885 8.374 -1.493 1.00 1.21 H new ATOM 0 HD13 LEU A 80 6.069 9.614 -0.231 1.00 1.21 H new ATOM 0 HD21 LEU A 80 3.248 9.328 0.860 1.00 3.30 H new ATOM 0 HD22 LEU A 80 3.989 10.908 0.510 1.00 3.30 H new ATOM 0 HD23 LEU A 80 2.422 10.479 -0.218 1.00 3.30 H new ATOM 1157 N ASP A 81 4.114 11.200 -5.668 1.00 55.54 N ATOM 1158 CA ASP A 81 4.034 12.310 -6.617 1.00 45.20 C ATOM 1159 C ASP A 81 2.856 13.215 -6.261 1.00 0.52 C ATOM 1160 O ASP A 81 1.847 13.301 -6.962 1.00 55.31 O ATOM 1161 CB ASP A 81 3.978 11.813 -8.075 1.00 35.24 C ATOM 1162 CG ASP A 81 3.846 12.926 -9.107 1.00 11.04 C ATOM 1163 OD1 ASP A 81 4.784 13.733 -9.265 1.00 61.21 O ATOM 1164 OD2 ASP A 81 2.813 12.969 -9.813 1.00 23.34 O ATOM 0 H ASP A 81 3.633 10.352 -5.967 1.00 55.54 H new ATOM 0 HA ASP A 81 4.946 12.902 -6.540 1.00 45.20 H new ATOM 0 HB2 ASP A 81 4.881 11.241 -8.287 1.00 35.24 H new ATOM 0 HB3 ASP A 81 3.135 11.130 -8.183 1.00 35.24 H new ATOM 1169 N ASP A 82 2.971 13.791 -5.103 1.00 63.41 N ATOM 1170 CA ASP A 82 1.998 14.718 -4.541 1.00 65.32 C ATOM 1171 C ASP A 82 2.773 15.780 -3.780 1.00 31.32 C ATOM 1172 O ASP A 82 3.979 15.612 -3.565 1.00 42.25 O ATOM 1173 CB ASP A 82 1.038 13.966 -3.585 1.00 43.15 C ATOM 1174 CG ASP A 82 -0.006 14.853 -2.926 1.00 4.24 C ATOM 1175 OD1 ASP A 82 -1.067 15.111 -3.525 1.00 32.35 O ATOM 1176 OD2 ASP A 82 0.221 15.317 -1.789 1.00 35.13 O ATOM 0 H ASP A 82 3.770 13.631 -4.490 1.00 63.41 H new ATOM 0 HA ASP A 82 1.397 15.173 -5.329 1.00 65.32 H new ATOM 0 HB2 ASP A 82 0.530 13.179 -4.143 1.00 43.15 H new ATOM 0 HB3 ASP A 82 1.626 13.477 -2.808 1.00 43.15 H new ATOM 1181 N VAL A 83 2.121 16.862 -3.397 1.00 4.13 N ATOM 1182 CA VAL A 83 2.764 17.915 -2.633 1.00 62.10 C ATOM 1183 C VAL A 83 3.162 17.427 -1.232 1.00 71.22 C ATOM 1184 O VAL A 83 4.207 17.818 -0.709 1.00 53.35 O ATOM 1185 CB VAL A 83 1.897 19.208 -2.542 1.00 12.12 C ATOM 1186 CG1 VAL A 83 1.701 19.813 -3.921 1.00 1.33 C ATOM 1187 CG2 VAL A 83 0.541 18.935 -1.892 1.00 12.42 C ATOM 0 H VAL A 83 1.138 17.035 -3.605 1.00 4.13 H new ATOM 0 HA VAL A 83 3.671 18.178 -3.177 1.00 62.10 H new ATOM 0 HB VAL A 83 2.433 19.918 -1.912 1.00 12.12 H new ATOM 0 HG11 VAL A 83 1.094 20.715 -3.840 1.00 1.33 H new ATOM 0 HG12 VAL A 83 2.671 20.066 -4.348 1.00 1.33 H new ATOM 0 HG13 VAL A 83 1.197 19.093 -4.566 1.00 1.33 H new ATOM 0 HG21 VAL A 83 -0.034 19.860 -1.847 1.00 12.42 H new ATOM 0 HG22 VAL A 83 -0.004 18.198 -2.482 1.00 12.42 H new ATOM 0 HG23 VAL A 83 0.692 18.552 -0.883 1.00 12.42 H new ATOM 1197 N THR A 84 2.372 16.543 -0.653 1.00 30.21 N ATOM 1198 CA THR A 84 2.680 16.026 0.654 1.00 22.24 C ATOM 1199 C THR A 84 3.530 14.764 0.594 1.00 14.14 C ATOM 1200 O THR A 84 3.037 13.647 0.744 1.00 75.53 O ATOM 1201 CB THR A 84 1.429 15.860 1.562 1.00 52.22 C ATOM 1202 OG1 THR A 84 0.327 15.245 0.845 1.00 3.40 O ATOM 1203 CG2 THR A 84 0.994 17.205 2.102 1.00 20.42 C ATOM 0 H THR A 84 1.518 16.173 -1.070 1.00 30.21 H new ATOM 0 HA THR A 84 3.290 16.790 1.136 1.00 22.24 H new ATOM 0 HB THR A 84 1.706 15.205 2.388 1.00 52.22 H new ATOM 0 HG1 THR A 84 0.612 15.025 -0.066 1.00 3.40 H new ATOM 0 HG21 THR A 84 0.117 17.076 2.736 1.00 20.42 H new ATOM 0 HG22 THR A 84 1.804 17.642 2.687 1.00 20.42 H new ATOM 0 HG23 THR A 84 0.747 17.868 1.272 1.00 20.42 H new ATOM 1211 N VAL A 85 4.780 14.956 0.237 1.00 32.45 N ATOM 1212 CA VAL A 85 5.733 13.888 0.187 1.00 41.50 C ATOM 1213 C VAL A 85 6.824 14.069 1.242 1.00 45.43 C ATOM 1214 O VAL A 85 7.602 15.044 1.213 1.00 54.13 O ATOM 1215 CB VAL A 85 6.349 13.682 -1.245 1.00 51.11 C ATOM 1216 CG1 VAL A 85 6.985 14.956 -1.779 1.00 31.54 C ATOM 1217 CG2 VAL A 85 7.370 12.540 -1.250 1.00 12.40 C ATOM 0 H VAL A 85 5.159 15.865 -0.027 1.00 32.45 H new ATOM 0 HA VAL A 85 5.185 12.975 0.418 1.00 41.50 H new ATOM 0 HB VAL A 85 5.525 13.416 -1.907 1.00 51.11 H new ATOM 0 HG11 VAL A 85 7.398 14.769 -2.770 1.00 31.54 H new ATOM 0 HG12 VAL A 85 6.231 15.740 -1.842 1.00 31.54 H new ATOM 0 HG13 VAL A 85 7.783 15.273 -1.108 1.00 31.54 H new ATOM 0 HG21 VAL A 85 7.779 12.422 -2.254 1.00 12.40 H new ATOM 0 HG22 VAL A 85 8.177 12.770 -0.555 1.00 12.40 H new ATOM 0 HG23 VAL A 85 6.882 11.614 -0.945 1.00 12.40 H new ATOM 1227 N SER A 86 6.849 13.197 2.189 1.00 61.52 N ATOM 1228 CA SER A 86 7.927 13.162 3.130 1.00 30.20 C ATOM 1229 C SER A 86 8.930 12.169 2.555 1.00 14.13 C ATOM 1230 O SER A 86 8.517 11.234 1.857 1.00 2.43 O ATOM 1231 CB SER A 86 7.405 12.675 4.478 1.00 25.25 C ATOM 1232 OG SER A 86 6.206 13.359 4.827 1.00 12.41 O ATOM 0 H SER A 86 6.130 12.489 2.338 1.00 61.52 H new ATOM 0 HA SER A 86 8.379 14.141 3.286 1.00 30.20 H new ATOM 0 HB2 SER A 86 7.219 11.602 4.436 1.00 25.25 H new ATOM 0 HB3 SER A 86 8.160 12.838 5.247 1.00 25.25 H new ATOM 0 HG SER A 86 5.437 12.886 4.447 1.00 12.41 H new ATOM 1238 N ARG A 87 10.229 12.348 2.782 1.00 13.02 N ATOM 1239 CA ARG A 87 11.168 11.394 2.216 1.00 73.23 C ATOM 1240 C ARG A 87 11.111 10.075 2.976 1.00 13.20 C ATOM 1241 O ARG A 87 11.490 9.029 2.464 1.00 1.53 O ATOM 1242 CB ARG A 87 12.589 11.946 2.016 1.00 61.30 C ATOM 1243 CG ARG A 87 13.388 12.249 3.255 1.00 24.24 C ATOM 1244 CD ARG A 87 14.746 12.828 2.881 1.00 53.14 C ATOM 1245 NE ARG A 87 15.524 11.943 1.991 1.00 31.54 N ATOM 1246 CZ ARG A 87 16.863 11.923 1.896 1.00 33.20 C ATOM 1247 NH1 ARG A 87 17.611 12.643 2.733 1.00 34.12 N ATOM 1248 NH2 ARG A 87 17.446 11.166 0.972 1.00 74.05 N ATOM 0 H ARG A 87 10.638 13.107 3.327 1.00 13.02 H new ATOM 0 HA ARG A 87 10.844 11.193 1.195 1.00 73.23 H new ATOM 0 HB2 ARG A 87 13.150 11.227 1.419 1.00 61.30 H new ATOM 0 HB3 ARG A 87 12.517 12.861 1.428 1.00 61.30 H new ATOM 0 HG2 ARG A 87 12.844 12.955 3.883 1.00 24.24 H new ATOM 0 HG3 ARG A 87 13.522 11.340 3.841 1.00 24.24 H new ATOM 0 HD2 ARG A 87 14.602 13.791 2.391 1.00 53.14 H new ATOM 0 HD3 ARG A 87 15.318 13.015 3.790 1.00 53.14 H new ATOM 0 HE ARG A 87 15.002 11.295 1.401 1.00 31.54 H new ATOM 0 HH11 ARG A 87 17.166 13.214 3.452 1.00 34.12 H new ATOM 0 HH12 ARG A 87 18.628 12.623 2.655 1.00 34.12 H new ATOM 0 HH21 ARG A 87 16.876 10.604 0.339 1.00 74.05 H new ATOM 0 HH22 ARG A 87 18.463 11.147 0.895 1.00 74.05 H new ATOM 1262 N ARG A 88 10.630 10.154 4.192 1.00 65.12 N ATOM 1263 CA ARG A 88 10.214 8.998 4.938 1.00 15.40 C ATOM 1264 C ARG A 88 8.768 9.219 5.300 1.00 62.41 C ATOM 1265 O ARG A 88 8.448 9.979 6.218 1.00 72.31 O ATOM 1266 CB ARG A 88 11.077 8.696 6.181 1.00 54.25 C ATOM 1267 CG ARG A 88 11.259 9.824 7.190 1.00 33.34 C ATOM 1268 CD ARG A 88 11.925 9.289 8.435 1.00 41.02 C ATOM 1269 NE ARG A 88 12.144 10.301 9.471 1.00 61.11 N ATOM 1270 CZ ARG A 88 12.354 10.009 10.767 1.00 2.54 C ATOM 1271 NH1 ARG A 88 12.261 8.749 11.191 1.00 50.43 N ATOM 1272 NH2 ARG A 88 12.639 10.970 11.639 1.00 43.14 N ATOM 0 H ARG A 88 10.516 11.034 4.695 1.00 65.12 H new ATOM 0 HA ARG A 88 10.344 8.110 4.319 1.00 15.40 H new ATOM 0 HB2 ARG A 88 10.636 7.845 6.700 1.00 54.25 H new ATOM 0 HB3 ARG A 88 12.064 8.384 5.840 1.00 54.25 H new ATOM 0 HG2 ARG A 88 11.864 10.620 6.755 1.00 33.34 H new ATOM 0 HG3 ARG A 88 10.292 10.260 7.442 1.00 33.34 H new ATOM 0 HD2 ARG A 88 11.312 8.487 8.847 1.00 41.02 H new ATOM 0 HD3 ARG A 88 12.884 8.849 8.162 1.00 41.02 H new ATOM 0 HE ARG A 88 12.137 11.283 9.194 1.00 61.11 H new ATOM 0 HH11 ARG A 88 12.030 8.005 10.532 1.00 50.43 H new ATOM 0 HH12 ARG A 88 12.420 8.529 12.174 1.00 50.43 H new ATOM 0 HH21 ARG A 88 12.700 11.939 11.328 1.00 43.14 H new ATOM 0 HH22 ARG A 88 12.797 10.738 12.620 1.00 43.14 H new ATOM 1286 N HIS A 89 7.888 8.647 4.530 1.00 70.34 N ATOM 1287 CA HIS A 89 6.490 8.916 4.717 1.00 61.03 C ATOM 1288 C HIS A 89 5.770 7.694 5.284 1.00 35.11 C ATOM 1289 O HIS A 89 5.096 7.774 6.302 1.00 51.21 O ATOM 1290 CB HIS A 89 5.885 9.368 3.386 1.00 60.23 C ATOM 1291 CG HIS A 89 4.571 10.060 3.509 1.00 44.44 C ATOM 1292 ND1 HIS A 89 4.480 11.434 3.444 1.00 20.12 N ATOM 1293 CD2 HIS A 89 3.342 9.541 3.657 1.00 23.30 C ATOM 1294 CE1 HIS A 89 3.190 11.710 3.551 1.00 74.45 C ATOM 1295 NE2 HIS A 89 2.468 10.595 3.683 1.00 13.32 N ATOM 0 H HIS A 89 8.109 7.998 3.774 1.00 70.34 H new ATOM 0 HA HIS A 89 6.366 9.717 5.445 1.00 61.03 H new ATOM 0 HB2 HIS A 89 6.589 10.036 2.890 1.00 60.23 H new ATOM 0 HB3 HIS A 89 5.764 8.497 2.742 1.00 60.23 H new ATOM 0 HD2 HIS A 89 3.091 8.494 3.740 1.00 23.30 H new ATOM 0 HE1 HIS A 89 2.776 12.707 3.534 1.00 74.45 H new ATOM 0 HE2 HIS A 89 1.455 10.539 3.784 1.00 13.32 H new ATOM 1303 N ALA A 90 5.933 6.569 4.653 1.00 22.25 N ATOM 1304 CA ALA A 90 5.290 5.368 5.132 1.00 10.02 C ATOM 1305 C ALA A 90 6.173 4.179 4.891 1.00 10.12 C ATOM 1306 O ALA A 90 6.724 4.021 3.790 1.00 71.22 O ATOM 1307 CB ALA A 90 3.937 5.174 4.456 1.00 54.10 C ATOM 0 H ALA A 90 6.499 6.451 3.813 1.00 22.25 H new ATOM 0 HA ALA A 90 5.122 5.469 6.204 1.00 10.02 H new ATOM 0 HB1 ALA A 90 3.470 4.263 4.831 1.00 54.10 H new ATOM 0 HB2 ALA A 90 3.295 6.028 4.674 1.00 54.10 H new ATOM 0 HB3 ALA A 90 4.077 5.092 3.378 1.00 54.10 H new ATOM 1313 N GLU A 91 6.347 3.362 5.900 1.00 33.43 N ATOM 1314 CA GLU A 91 7.125 2.166 5.736 1.00 71.43 C ATOM 1315 C GLU A 91 6.213 0.958 5.918 1.00 31.33 C ATOM 1316 O GLU A 91 5.503 0.845 6.930 1.00 63.24 O ATOM 1317 CB GLU A 91 8.307 2.135 6.730 1.00 71.24 C ATOM 1318 CG GLU A 91 9.319 3.271 6.533 1.00 10.15 C ATOM 1319 CD GLU A 91 10.412 3.309 7.589 1.00 40.24 C ATOM 1320 OE1 GLU A 91 11.341 2.476 7.545 1.00 74.02 O ATOM 1321 OE2 GLU A 91 10.390 4.197 8.451 1.00 22.35 O ATOM 0 H GLU A 91 5.963 3.504 6.834 1.00 33.43 H new ATOM 0 HA GLU A 91 7.553 2.143 4.734 1.00 71.43 H new ATOM 0 HB2 GLU A 91 7.915 2.184 7.746 1.00 71.24 H new ATOM 0 HB3 GLU A 91 8.825 1.181 6.633 1.00 71.24 H new ATOM 0 HG2 GLU A 91 9.779 3.168 5.550 1.00 10.15 H new ATOM 0 HG3 GLU A 91 8.788 4.223 6.538 1.00 10.15 H new ATOM 1328 N PHE A 92 6.231 0.079 4.947 1.00 23.04 N ATOM 1329 CA PHE A 92 5.420 -1.120 4.954 1.00 60.21 C ATOM 1330 C PHE A 92 6.352 -2.305 5.054 1.00 32.52 C ATOM 1331 O PHE A 92 7.136 -2.571 4.134 1.00 2.43 O ATOM 1332 CB PHE A 92 4.588 -1.234 3.659 1.00 50.55 C ATOM 1333 CG PHE A 92 3.669 -0.075 3.377 1.00 44.21 C ATOM 1334 CD1 PHE A 92 4.119 1.028 2.658 1.00 0.23 C ATOM 1335 CD2 PHE A 92 2.358 -0.093 3.813 1.00 51.21 C ATOM 1336 CE1 PHE A 92 3.276 2.086 2.386 1.00 20.40 C ATOM 1337 CE2 PHE A 92 1.510 0.964 3.545 1.00 71.44 C ATOM 1338 CZ PHE A 92 1.969 2.054 2.832 1.00 74.31 C ATOM 0 H PHE A 92 6.816 0.175 4.117 1.00 23.04 H new ATOM 0 HA PHE A 92 4.729 -1.088 5.796 1.00 60.21 H new ATOM 0 HB2 PHE A 92 5.271 -1.347 2.817 1.00 50.55 H new ATOM 0 HB3 PHE A 92 3.991 -2.145 3.710 1.00 50.55 H new ATOM 0 HD1 PHE A 92 5.141 1.056 2.309 1.00 0.23 H new ATOM 0 HD2 PHE A 92 1.992 -0.943 4.370 1.00 51.21 H new ATOM 0 HE1 PHE A 92 3.637 2.936 1.826 1.00 20.40 H new ATOM 0 HE2 PHE A 92 0.488 0.938 3.893 1.00 71.44 H new ATOM 0 HZ PHE A 92 1.306 2.881 2.623 1.00 74.31 H new ATOM 1348 N ARG A 93 6.291 -2.997 6.140 1.00 60.54 N ATOM 1349 CA ARG A 93 7.188 -4.088 6.384 1.00 73.21 C ATOM 1350 C ARG A 93 6.443 -5.393 6.451 1.00 70.44 C ATOM 1351 O ARG A 93 5.250 -5.434 6.793 1.00 74.42 O ATOM 1352 CB ARG A 93 8.016 -3.884 7.666 1.00 64.03 C ATOM 1353 CG ARG A 93 8.819 -2.595 7.684 1.00 52.52 C ATOM 1354 CD ARG A 93 9.880 -2.587 8.777 1.00 33.30 C ATOM 1355 NE ARG A 93 9.341 -2.849 10.116 1.00 34.05 N ATOM 1356 CZ ARG A 93 10.025 -2.698 11.263 1.00 55.20 C ATOM 1357 NH1 ARG A 93 11.242 -2.144 11.268 1.00 64.13 N ATOM 1358 NH2 ARG A 93 9.477 -3.083 12.401 1.00 64.23 N ATOM 0 H ARG A 93 5.619 -2.827 6.888 1.00 60.54 H new ATOM 0 HA ARG A 93 7.881 -4.119 5.544 1.00 73.21 H new ATOM 0 HB2 ARG A 93 7.345 -3.894 8.525 1.00 64.03 H new ATOM 0 HB3 ARG A 93 8.698 -4.726 7.784 1.00 64.03 H new ATOM 0 HG2 ARG A 93 9.298 -2.455 6.715 1.00 52.52 H new ATOM 0 HG3 ARG A 93 8.144 -1.752 7.830 1.00 52.52 H new ATOM 0 HD2 ARG A 93 10.636 -3.337 8.545 1.00 33.30 H new ATOM 0 HD3 ARG A 93 10.382 -1.619 8.779 1.00 33.30 H new ATOM 0 HE ARG A 93 8.375 -3.170 10.181 1.00 34.05 H new ATOM 0 HH11 ARG A 93 11.663 -1.830 10.394 1.00 64.13 H new ATOM 0 HH12 ARG A 93 11.749 -2.036 12.146 1.00 64.13 H new ATOM 0 HH21 ARG A 93 8.542 -3.491 12.405 1.00 64.23 H new ATOM 0 HH22 ARG A 93 9.989 -2.972 13.277 1.00 64.23 H new ATOM 1372 N ILE A 94 7.119 -6.451 6.119 1.00 61.55 N ATOM 1373 CA ILE A 94 6.527 -7.746 6.234 1.00 64.15 C ATOM 1374 C ILE A 94 7.267 -8.517 7.301 1.00 13.31 C ATOM 1375 O ILE A 94 8.485 -8.717 7.249 1.00 73.44 O ATOM 1376 CB ILE A 94 6.375 -8.523 4.851 1.00 61.02 C ATOM 1377 CG1 ILE A 94 7.693 -8.680 4.046 1.00 12.02 C ATOM 1378 CG2 ILE A 94 5.325 -7.856 3.979 1.00 31.03 C ATOM 1379 CD1 ILE A 94 8.590 -9.833 4.453 1.00 33.05 C ATOM 0 H ILE A 94 8.077 -6.442 5.768 1.00 61.55 H new ATOM 0 HA ILE A 94 5.489 -7.628 6.544 1.00 64.15 H new ATOM 0 HB ILE A 94 6.066 -9.531 5.126 1.00 61.02 H new ATOM 0 HG12 ILE A 94 7.440 -8.798 2.992 1.00 12.02 H new ATOM 0 HG13 ILE A 94 8.262 -7.755 4.135 1.00 12.02 H new ATOM 0 HG21 ILE A 94 5.234 -8.400 3.039 1.00 31.03 H new ATOM 0 HG22 ILE A 94 4.365 -7.862 4.496 1.00 31.03 H new ATOM 0 HG23 ILE A 94 5.621 -6.827 3.776 1.00 31.03 H new ATOM 0 HD11 ILE A 94 9.479 -9.843 3.822 1.00 33.05 H new ATOM 0 HD12 ILE A 94 8.886 -9.713 5.495 1.00 33.05 H new ATOM 0 HD13 ILE A 94 8.051 -10.773 4.334 1.00 33.05 H new ATOM 1391 N ASN A 95 6.543 -8.839 8.315 1.00 21.42 N ATOM 1392 CA ASN A 95 7.072 -9.438 9.489 1.00 0.31 C ATOM 1393 C ASN A 95 6.727 -10.900 9.427 1.00 15.03 C ATOM 1394 O ASN A 95 5.745 -11.268 8.773 1.00 22.02 O ATOM 1395 CB ASN A 95 6.491 -8.733 10.735 1.00 24.54 C ATOM 1396 CG ASN A 95 7.232 -9.017 12.040 1.00 20.22 C ATOM 1397 OD1 ASN A 95 7.792 -10.087 12.248 1.00 74.10 O ATOM 1398 ND2 ASN A 95 7.247 -8.049 12.928 1.00 53.15 N ATOM 0 H ASN A 95 5.535 -8.688 8.351 1.00 21.42 H new ATOM 0 HA ASN A 95 8.155 -9.334 9.557 1.00 0.31 H new ATOM 0 HB2 ASN A 95 6.494 -7.657 10.560 1.00 24.54 H new ATOM 0 HB3 ASN A 95 5.450 -9.034 10.852 1.00 24.54 H new ATOM 0 HD21 ASN A 95 7.733 -8.179 13.815 1.00 53.15 H new ATOM 0 HD22 ASN A 95 6.773 -7.168 12.730 1.00 53.15 H new ATOM 1405 N GLU A 96 7.583 -11.733 9.969 1.00 1.14 N ATOM 1406 CA GLU A 96 7.404 -13.184 9.944 1.00 71.32 C ATOM 1407 C GLU A 96 5.997 -13.614 10.412 1.00 11.21 C ATOM 1408 O GLU A 96 5.434 -14.584 9.904 1.00 50.24 O ATOM 1409 CB GLU A 96 8.484 -13.867 10.781 1.00 3.14 C ATOM 1410 CG GLU A 96 8.469 -13.486 12.249 1.00 5.01 C ATOM 1411 CD GLU A 96 9.575 -14.132 13.015 1.00 33.43 C ATOM 1412 OE1 GLU A 96 9.519 -15.351 13.242 1.00 21.33 O ATOM 1413 OE2 GLU A 96 10.535 -13.433 13.390 1.00 15.14 O ATOM 0 H GLU A 96 8.433 -11.431 10.446 1.00 1.14 H new ATOM 0 HA GLU A 96 7.502 -13.503 8.906 1.00 71.32 H new ATOM 0 HB2 GLU A 96 8.364 -14.947 10.697 1.00 3.14 H new ATOM 0 HB3 GLU A 96 9.460 -13.621 10.364 1.00 3.14 H new ATOM 0 HG2 GLU A 96 8.551 -12.403 12.341 1.00 5.01 H new ATOM 0 HG3 GLU A 96 7.512 -13.772 12.686 1.00 5.01 H new ATOM 1420 N GLY A 97 5.432 -12.868 11.334 1.00 31.55 N ATOM 1421 CA GLY A 97 4.144 -13.201 11.835 1.00 32.23 C ATOM 1422 C GLY A 97 3.015 -12.482 11.119 1.00 72.35 C ATOM 1423 O GLY A 97 1.976 -13.087 10.839 1.00 72.11 O ATOM 0 H GLY A 97 5.852 -12.033 11.742 1.00 31.55 H new ATOM 0 HA2 GLY A 97 3.994 -14.277 11.745 1.00 32.23 H new ATOM 0 HA3 GLY A 97 4.102 -12.961 12.897 1.00 32.23 H new ATOM 1427 N GLU A 98 3.191 -11.214 10.809 1.00 41.11 N ATOM 1428 CA GLU A 98 2.121 -10.440 10.262 1.00 14.43 C ATOM 1429 C GLU A 98 2.614 -9.342 9.315 1.00 55.41 C ATOM 1430 O GLU A 98 3.803 -9.164 9.097 1.00 3.30 O ATOM 1431 CB GLU A 98 1.273 -9.813 11.398 1.00 64.35 C ATOM 1432 CG GLU A 98 2.006 -8.830 12.347 1.00 72.53 C ATOM 1433 CD GLU A 98 3.025 -9.482 13.268 1.00 70.34 C ATOM 1434 OE1 GLU A 98 4.175 -9.668 12.867 1.00 73.12 O ATOM 1435 OE2 GLU A 98 2.682 -9.815 14.416 1.00 24.43 O ATOM 0 H GLU A 98 4.068 -10.707 10.930 1.00 41.11 H new ATOM 0 HA GLU A 98 1.505 -11.123 9.677 1.00 14.43 H new ATOM 0 HB2 GLU A 98 0.432 -9.287 10.946 1.00 64.35 H new ATOM 0 HB3 GLU A 98 0.857 -10.621 11.999 1.00 64.35 H new ATOM 0 HG2 GLU A 98 2.510 -8.073 11.746 1.00 72.53 H new ATOM 0 HG3 GLU A 98 1.265 -8.312 12.955 1.00 72.53 H new ATOM 1442 N PHE A 99 1.676 -8.618 8.757 1.00 74.51 N ATOM 1443 CA PHE A 99 1.969 -7.508 7.886 1.00 42.13 C ATOM 1444 C PHE A 99 1.989 -6.250 8.741 1.00 14.42 C ATOM 1445 O PHE A 99 1.030 -5.979 9.453 1.00 42.54 O ATOM 1446 CB PHE A 99 0.897 -7.405 6.800 1.00 5.40 C ATOM 1447 CG PHE A 99 0.756 -8.644 5.954 1.00 11.22 C ATOM 1448 CD1 PHE A 99 1.644 -8.896 4.924 1.00 0.03 C ATOM 1449 CD2 PHE A 99 -0.262 -9.555 6.194 1.00 43.22 C ATOM 1450 CE1 PHE A 99 1.525 -10.029 4.146 1.00 12.14 C ATOM 1451 CE2 PHE A 99 -0.388 -10.694 5.419 1.00 41.32 C ATOM 1452 CZ PHE A 99 0.507 -10.930 4.394 1.00 42.10 C ATOM 0 H PHE A 99 0.679 -8.784 8.896 1.00 74.51 H new ATOM 0 HA PHE A 99 2.932 -7.642 7.393 1.00 42.13 H new ATOM 0 HB2 PHE A 99 -0.062 -7.189 7.271 1.00 5.40 H new ATOM 0 HB3 PHE A 99 1.132 -6.561 6.152 1.00 5.40 H new ATOM 0 HD1 PHE A 99 2.442 -8.196 4.726 1.00 0.03 H new ATOM 0 HD2 PHE A 99 -0.964 -9.373 6.994 1.00 43.22 H new ATOM 0 HE1 PHE A 99 2.226 -10.211 3.345 1.00 12.14 H new ATOM 0 HE2 PHE A 99 -1.184 -11.397 5.615 1.00 41.32 H new ATOM 0 HZ PHE A 99 0.411 -11.818 3.787 1.00 42.10 H new ATOM 1462 N GLU A 100 3.042 -5.486 8.668 1.00 43.03 N ATOM 1463 CA GLU A 100 3.226 -4.376 9.578 1.00 34.20 C ATOM 1464 C GLU A 100 3.398 -3.045 8.833 1.00 54.35 C ATOM 1465 O GLU A 100 4.178 -2.947 7.894 1.00 73.42 O ATOM 1466 CB GLU A 100 4.454 -4.684 10.450 1.00 24.13 C ATOM 1467 CG GLU A 100 4.847 -3.609 11.439 1.00 51.33 C ATOM 1468 CD GLU A 100 6.040 -4.024 12.263 1.00 4.34 C ATOM 1469 OE1 GLU A 100 7.153 -4.122 11.706 1.00 62.31 O ATOM 1470 OE2 GLU A 100 5.886 -4.245 13.483 1.00 35.31 O ATOM 0 H GLU A 100 3.792 -5.607 7.987 1.00 43.03 H new ATOM 0 HA GLU A 100 2.337 -4.262 10.198 1.00 34.20 H new ATOM 0 HB2 GLU A 100 4.263 -5.605 11.001 1.00 24.13 H new ATOM 0 HB3 GLU A 100 5.303 -4.875 9.794 1.00 24.13 H new ATOM 0 HG2 GLU A 100 5.076 -2.687 10.904 1.00 51.33 H new ATOM 0 HG3 GLU A 100 4.006 -3.394 12.098 1.00 51.33 H new ATOM 1477 N VAL A 101 2.654 -2.043 9.242 1.00 41.15 N ATOM 1478 CA VAL A 101 2.794 -0.720 8.676 1.00 45.11 C ATOM 1479 C VAL A 101 3.137 0.265 9.787 1.00 52.15 C ATOM 1480 O VAL A 101 2.515 0.249 10.867 1.00 71.24 O ATOM 1481 CB VAL A 101 1.520 -0.245 7.884 1.00 75.05 C ATOM 1482 CG1 VAL A 101 0.272 -0.187 8.763 1.00 72.53 C ATOM 1483 CG2 VAL A 101 1.764 1.104 7.214 1.00 52.40 C ATOM 0 H VAL A 101 1.942 -2.119 9.968 1.00 41.15 H new ATOM 0 HA VAL A 101 3.601 -0.759 7.945 1.00 45.11 H new ATOM 0 HB VAL A 101 1.336 -0.993 7.113 1.00 75.05 H new ATOM 0 HG11 VAL A 101 -0.578 0.146 8.167 1.00 72.53 H new ATOM 0 HG12 VAL A 101 0.065 -1.178 9.167 1.00 72.53 H new ATOM 0 HG13 VAL A 101 0.437 0.512 9.583 1.00 72.53 H new ATOM 0 HG21 VAL A 101 0.868 1.409 6.673 1.00 52.40 H new ATOM 0 HG22 VAL A 101 2.002 1.849 7.973 1.00 52.40 H new ATOM 0 HG23 VAL A 101 2.597 1.018 6.516 1.00 52.40 H new ATOM 1493 N VAL A 102 4.147 1.066 9.565 1.00 71.43 N ATOM 1494 CA VAL A 102 4.537 2.050 10.533 1.00 45.22 C ATOM 1495 C VAL A 102 4.396 3.461 9.967 1.00 63.02 C ATOM 1496 O VAL A 102 4.875 3.772 8.845 1.00 14.13 O ATOM 1497 CB VAL A 102 5.964 1.810 11.132 1.00 22.03 C ATOM 1498 CG1 VAL A 102 6.007 0.513 11.931 1.00 2.14 C ATOM 1499 CG2 VAL A 102 7.032 1.792 10.054 1.00 71.12 C ATOM 0 H VAL A 102 4.715 1.053 8.718 1.00 71.43 H new ATOM 0 HA VAL A 102 3.847 1.943 11.370 1.00 45.22 H new ATOM 0 HB VAL A 102 6.175 2.645 11.801 1.00 22.03 H new ATOM 0 HG11 VAL A 102 7.008 0.369 12.337 1.00 2.14 H new ATOM 0 HG12 VAL A 102 5.288 0.565 12.749 1.00 2.14 H new ATOM 0 HG13 VAL A 102 5.755 -0.324 11.280 1.00 2.14 H new ATOM 0 HG21 VAL A 102 8.007 1.623 10.511 1.00 71.12 H new ATOM 0 HG22 VAL A 102 6.820 0.992 9.345 1.00 71.12 H new ATOM 0 HG23 VAL A 102 7.037 2.748 9.531 1.00 71.12 H new ATOM 1509 N ASP A 103 3.701 4.286 10.717 1.00 54.25 N ATOM 1510 CA ASP A 103 3.464 5.670 10.354 1.00 34.12 C ATOM 1511 C ASP A 103 4.631 6.518 10.768 1.00 14.10 C ATOM 1512 O ASP A 103 4.969 6.603 11.956 1.00 54.22 O ATOM 1513 CB ASP A 103 2.184 6.209 11.019 1.00 3.44 C ATOM 1514 CG ASP A 103 1.971 7.709 10.802 1.00 32.52 C ATOM 1515 OD1 ASP A 103 1.428 8.095 9.752 1.00 23.22 O ATOM 1516 OD2 ASP A 103 2.329 8.514 11.699 1.00 34.41 O ATOM 0 H ASP A 103 3.279 4.015 11.605 1.00 54.25 H new ATOM 0 HA ASP A 103 3.340 5.714 9.272 1.00 34.12 H new ATOM 0 HB2 ASP A 103 1.324 5.667 10.626 1.00 3.44 H new ATOM 0 HB3 ASP A 103 2.227 6.007 12.089 1.00 3.44 H new ATOM 1521 N VAL A 104 5.301 7.056 9.804 1.00 5.14 N ATOM 1522 CA VAL A 104 6.350 8.009 10.047 1.00 44.30 C ATOM 1523 C VAL A 104 6.023 9.294 9.319 1.00 75.02 C ATOM 1524 O VAL A 104 6.762 10.269 9.363 1.00 51.00 O ATOM 1525 CB VAL A 104 7.764 7.474 9.649 1.00 63.32 C ATOM 1526 CG1 VAL A 104 8.168 6.324 10.560 1.00 51.41 C ATOM 1527 CG2 VAL A 104 7.801 7.020 8.195 1.00 52.55 C ATOM 0 H VAL A 104 5.141 6.851 8.818 1.00 5.14 H new ATOM 0 HA VAL A 104 6.399 8.193 11.120 1.00 44.30 H new ATOM 0 HB VAL A 104 8.473 8.294 9.765 1.00 63.32 H new ATOM 0 HG11 VAL A 104 9.155 5.961 10.272 1.00 51.41 H new ATOM 0 HG12 VAL A 104 8.196 6.671 11.593 1.00 51.41 H new ATOM 0 HG13 VAL A 104 7.443 5.515 10.469 1.00 51.41 H new ATOM 0 HG21 VAL A 104 8.799 6.654 7.953 1.00 52.55 H new ATOM 0 HG22 VAL A 104 7.075 6.221 8.045 1.00 52.55 H new ATOM 0 HG23 VAL A 104 7.555 7.860 7.545 1.00 52.55 H new ATOM 1537 N GLY A 105 4.863 9.292 8.699 1.00 71.33 N ATOM 1538 CA GLY A 105 4.399 10.406 7.938 1.00 13.32 C ATOM 1539 C GLY A 105 3.267 11.079 8.640 1.00 74.50 C ATOM 1540 O GLY A 105 2.199 11.331 8.050 1.00 75.22 O ATOM 0 H GLY A 105 4.217 8.503 8.716 1.00 71.33 H new ATOM 0 HA2 GLY A 105 5.213 11.114 7.785 1.00 13.32 H new ATOM 0 HA3 GLY A 105 4.077 10.072 6.952 1.00 13.32 H new ATOM 1544 N SER A 106 3.518 11.425 9.898 1.00 4.44 N ATOM 1545 CA SER A 106 2.559 12.071 10.781 1.00 33.40 C ATOM 1546 C SER A 106 2.175 13.478 10.289 1.00 53.10 C ATOM 1547 O SER A 106 1.335 14.160 10.877 1.00 14.51 O ATOM 1548 CB SER A 106 3.142 12.097 12.192 1.00 53.42 C ATOM 1549 OG SER A 106 4.514 12.515 12.167 1.00 13.41 O ATOM 0 H SER A 106 4.421 11.258 10.342 1.00 4.44 H new ATOM 0 HA SER A 106 1.631 11.500 10.784 1.00 33.40 H new ATOM 0 HB2 SER A 106 2.562 12.775 12.818 1.00 53.42 H new ATOM 0 HB3 SER A 106 3.067 11.106 12.640 1.00 53.42 H new ATOM 0 HG SER A 106 4.869 12.527 13.080 1.00 13.41 H new ATOM 1555 N LEU A 107 2.807 13.889 9.203 1.00 61.54 N ATOM 1556 CA LEU A 107 2.508 15.123 8.520 1.00 64.25 C ATOM 1557 C LEU A 107 1.077 15.053 8.002 1.00 64.13 C ATOM 1558 O LEU A 107 0.347 16.046 7.974 1.00 11.01 O ATOM 1559 CB LEU A 107 3.466 15.331 7.325 1.00 23.22 C ATOM 1560 CG LEU A 107 4.976 15.538 7.609 1.00 62.45 C ATOM 1561 CD1 LEU A 107 5.206 16.651 8.607 1.00 63.44 C ATOM 1562 CD2 LEU A 107 5.674 14.252 8.049 1.00 53.31 C ATOM 0 H LEU A 107 3.559 13.357 8.766 1.00 61.54 H new ATOM 0 HA LEU A 107 2.630 15.955 9.213 1.00 64.25 H new ATOM 0 HB2 LEU A 107 3.369 14.466 6.669 1.00 23.22 H new ATOM 0 HB3 LEU A 107 3.113 16.197 6.765 1.00 23.22 H new ATOM 0 HG LEU A 107 5.428 15.834 6.662 1.00 62.45 H new ATOM 0 HD11 LEU A 107 6.276 16.768 8.782 1.00 63.44 H new ATOM 0 HD12 LEU A 107 4.799 17.582 8.214 1.00 63.44 H new ATOM 0 HD13 LEU A 107 4.710 16.406 9.546 1.00 63.44 H new ATOM 0 HD21 LEU A 107 6.729 14.456 8.234 1.00 53.31 H new ATOM 0 HD22 LEU A 107 5.210 13.881 8.963 1.00 53.31 H new ATOM 0 HD23 LEU A 107 5.582 13.501 7.264 1.00 53.31 H new ATOM 1574 N ASN A 108 0.695 13.872 7.594 1.00 2.35 N ATOM 1575 CA ASN A 108 -0.645 13.611 7.124 1.00 61.33 C ATOM 1576 C ASN A 108 -1.304 12.660 8.085 1.00 64.31 C ATOM 1577 O ASN A 108 -2.431 12.885 8.541 1.00 54.53 O ATOM 1578 CB ASN A 108 -0.635 12.997 5.713 1.00 3.53 C ATOM 1579 CG ASN A 108 -0.023 13.907 4.666 1.00 50.22 C ATOM 1580 OD1 ASN A 108 1.177 13.888 4.445 1.00 0.45 O ATOM 1581 ND2 ASN A 108 -0.832 14.692 4.007 1.00 42.04 N ATOM 0 H ASN A 108 1.307 13.056 7.577 1.00 2.35 H new ATOM 0 HA ASN A 108 -1.194 14.551 7.071 1.00 61.33 H new ATOM 0 HB2 ASN A 108 -0.081 12.059 5.737 1.00 3.53 H new ATOM 0 HB3 ASN A 108 -1.658 12.756 5.422 1.00 3.53 H new ATOM 0 HD21 ASN A 108 -0.465 15.312 3.285 1.00 42.04 H new ATOM 0 HD22 ASN A 108 -1.831 14.685 4.214 1.00 42.04 H new ATOM 1588 N GLY A 109 -0.566 11.628 8.442 1.00 63.30 N ATOM 1589 CA GLY A 109 -1.066 10.619 9.331 1.00 51.54 C ATOM 1590 C GLY A 109 -1.647 9.458 8.572 1.00 2.31 C ATOM 1591 O GLY A 109 -2.544 9.636 7.740 1.00 60.50 O ATOM 0 H GLY A 109 0.390 11.473 8.122 1.00 63.30 H new ATOM 0 HA2 GLY A 109 -0.260 10.268 9.975 1.00 51.54 H new ATOM 0 HA3 GLY A 109 -1.828 11.049 9.980 1.00 51.54 H new ATOM 1595 N THR A 110 -1.110 8.300 8.796 1.00 54.54 N ATOM 1596 CA THR A 110 -1.618 7.104 8.186 1.00 72.24 C ATOM 1597 C THR A 110 -2.861 6.635 8.962 1.00 3.43 C ATOM 1598 O THR A 110 -2.790 6.369 10.178 1.00 2.31 O ATOM 1599 CB THR A 110 -0.542 5.993 8.221 1.00 42.32 C ATOM 1600 OG1 THR A 110 0.712 6.532 7.772 1.00 70.45 O ATOM 1601 CG2 THR A 110 -0.930 4.835 7.309 1.00 51.45 C ATOM 0 H THR A 110 -0.306 8.153 9.407 1.00 54.54 H new ATOM 0 HA THR A 110 -1.881 7.311 7.149 1.00 72.24 H new ATOM 0 HB THR A 110 -0.457 5.627 9.244 1.00 42.32 H new ATOM 0 HG1 THR A 110 1.237 6.827 8.545 1.00 70.45 H new ATOM 0 HG21 THR A 110 -0.159 4.066 7.350 1.00 51.45 H new ATOM 0 HG22 THR A 110 -1.880 4.414 7.639 1.00 51.45 H new ATOM 0 HG23 THR A 110 -1.029 5.196 6.285 1.00 51.45 H new ATOM 1609 N TYR A 111 -3.981 6.568 8.300 1.00 43.04 N ATOM 1610 CA TYR A 111 -5.187 6.107 8.919 1.00 24.43 C ATOM 1611 C TYR A 111 -5.461 4.693 8.467 1.00 50.33 C ATOM 1612 O TYR A 111 -5.373 4.378 7.284 1.00 63.03 O ATOM 1613 CB TYR A 111 -6.397 6.974 8.527 1.00 65.12 C ATOM 1614 CG TYR A 111 -6.296 8.451 8.845 1.00 42.10 C ATOM 1615 CD1 TYR A 111 -6.716 8.944 10.065 1.00 34.31 C ATOM 1616 CD2 TYR A 111 -5.806 9.355 7.907 1.00 64.42 C ATOM 1617 CE1 TYR A 111 -6.647 10.292 10.350 1.00 15.10 C ATOM 1618 CE2 TYR A 111 -5.735 10.704 8.184 1.00 62.03 C ATOM 1619 CZ TYR A 111 -6.156 11.166 9.408 1.00 74.10 C ATOM 1620 OH TYR A 111 -6.096 12.511 9.693 1.00 61.43 O ATOM 0 H TYR A 111 -4.082 6.831 7.320 1.00 43.04 H new ATOM 0 HA TYR A 111 -5.050 6.163 9.999 1.00 24.43 H new ATOM 0 HB2 TYR A 111 -6.563 6.866 7.455 1.00 65.12 H new ATOM 0 HB3 TYR A 111 -7.280 6.576 9.028 1.00 65.12 H new ATOM 0 HD1 TYR A 111 -7.105 8.263 10.808 1.00 34.31 H new ATOM 0 HD2 TYR A 111 -5.475 8.993 6.945 1.00 64.42 H new ATOM 0 HE1 TYR A 111 -6.978 10.660 11.310 1.00 15.10 H new ATOM 0 HE2 TYR A 111 -5.352 11.392 7.445 1.00 62.03 H new ATOM 0 HH TYR A 111 -5.724 12.992 8.924 1.00 61.43 H new ATOM 1630 N VAL A 112 -5.795 3.861 9.383 1.00 45.45 N ATOM 1631 CA VAL A 112 -6.183 2.516 9.079 1.00 3.54 C ATOM 1632 C VAL A 112 -7.610 2.397 9.498 1.00 43.23 C ATOM 1633 O VAL A 112 -7.921 2.634 10.672 1.00 71.04 O ATOM 1634 CB VAL A 112 -5.325 1.470 9.827 1.00 61.10 C ATOM 1635 CG1 VAL A 112 -5.778 0.053 9.467 1.00 23.13 C ATOM 1636 CG2 VAL A 112 -3.846 1.671 9.495 1.00 2.52 C ATOM 0 H VAL A 112 -5.810 4.087 10.377 1.00 45.45 H new ATOM 0 HA VAL A 112 -6.041 2.317 8.017 1.00 3.54 H new ATOM 0 HB VAL A 112 -5.458 1.605 10.900 1.00 61.10 H new ATOM 0 HG11 VAL A 112 -5.164 -0.672 10.002 1.00 23.13 H new ATOM 0 HG12 VAL A 112 -6.823 -0.078 9.749 1.00 23.13 H new ATOM 0 HG13 VAL A 112 -5.670 -0.102 8.393 1.00 23.13 H new ATOM 0 HG21 VAL A 112 -3.250 0.929 10.027 1.00 2.52 H new ATOM 0 HG22 VAL A 112 -3.695 1.556 8.422 1.00 2.52 H new ATOM 0 HG23 VAL A 112 -3.537 2.671 9.800 1.00 2.52 H new ATOM 1646 N ASN A 113 -8.488 2.123 8.537 1.00 53.51 N ATOM 1647 CA ASN A 113 -9.945 2.069 8.773 1.00 24.23 C ATOM 1648 C ASN A 113 -10.406 3.450 9.301 1.00 1.31 C ATOM 1649 O ASN A 113 -11.343 3.573 10.077 1.00 35.33 O ATOM 1650 CB ASN A 113 -10.284 0.924 9.769 1.00 43.33 C ATOM 1651 CG ASN A 113 -11.765 0.570 9.816 1.00 31.33 C ATOM 1652 OD1 ASN A 113 -12.537 1.101 10.617 1.00 40.33 O ATOM 1653 ND2 ASN A 113 -12.170 -0.321 8.957 1.00 55.31 N ATOM 0 H ASN A 113 -8.220 1.931 7.572 1.00 53.51 H new ATOM 0 HA ASN A 113 -10.476 1.852 7.846 1.00 24.23 H new ATOM 0 HB2 ASN A 113 -9.716 0.035 9.494 1.00 43.33 H new ATOM 0 HB3 ASN A 113 -9.957 1.215 10.767 1.00 43.33 H new ATOM 0 HD21 ASN A 113 -13.151 -0.598 8.934 1.00 55.31 H new ATOM 0 HD22 ASN A 113 -11.506 -0.742 8.307 1.00 55.31 H new ATOM 1660 N ARG A 114 -9.697 4.494 8.831 1.00 22.14 N ATOM 1661 CA ARG A 114 -9.919 5.910 9.201 1.00 43.44 C ATOM 1662 C ARG A 114 -9.427 6.280 10.606 1.00 45.44 C ATOM 1663 O ARG A 114 -9.617 7.409 11.052 1.00 13.14 O ATOM 1664 CB ARG A 114 -11.362 6.380 8.987 1.00 43.31 C ATOM 1665 CG ARG A 114 -11.762 6.522 7.535 1.00 41.21 C ATOM 1666 CD ARG A 114 -13.173 7.064 7.409 1.00 31.25 C ATOM 1667 NE ARG A 114 -13.355 8.330 8.144 1.00 52.45 N ATOM 1668 CZ ARG A 114 -14.347 9.207 7.945 1.00 0.53 C ATOM 1669 NH1 ARG A 114 -15.203 9.052 6.927 1.00 54.33 N ATOM 1670 NH2 ARG A 114 -14.455 10.255 8.751 1.00 74.35 N ATOM 0 H ARG A 114 -8.933 4.376 8.166 1.00 22.14 H new ATOM 0 HA ARG A 114 -9.290 6.456 8.498 1.00 43.44 H new ATOM 0 HB2 ARG A 114 -12.037 5.674 9.470 1.00 43.31 H new ATOM 0 HB3 ARG A 114 -11.496 7.341 9.484 1.00 43.31 H new ATOM 0 HG2 ARG A 114 -11.066 7.189 7.026 1.00 41.21 H new ATOM 0 HG3 ARG A 114 -11.695 5.553 7.040 1.00 41.21 H new ATOM 0 HD2 ARG A 114 -13.407 7.221 6.356 1.00 31.25 H new ATOM 0 HD3 ARG A 114 -13.879 6.324 7.785 1.00 31.25 H new ATOM 0 HE ARG A 114 -12.668 8.556 8.863 1.00 52.45 H new ATOM 0 HH11 ARG A 114 -15.103 8.259 6.293 1.00 54.33 H new ATOM 0 HH12 ARG A 114 -15.955 9.727 6.786 1.00 54.33 H new ATOM 0 HH21 ARG A 114 -13.787 10.385 9.511 1.00 74.35 H new ATOM 0 HH22 ARG A 114 -15.206 10.931 8.611 1.00 74.35 H new ATOM 1684 N GLU A 115 -8.783 5.369 11.291 1.00 63.23 N ATOM 1685 CA GLU A 115 -8.243 5.686 12.599 1.00 32.23 C ATOM 1686 C GLU A 115 -6.742 5.898 12.495 1.00 64.34 C ATOM 1687 O GLU A 115 -6.059 5.113 11.820 1.00 11.52 O ATOM 1688 CB GLU A 115 -8.520 4.576 13.596 1.00 22.44 C ATOM 1689 CG GLU A 115 -9.985 4.264 13.794 1.00 73.45 C ATOM 1690 CD GLU A 115 -10.181 3.210 14.836 1.00 25.13 C ATOM 1691 OE1 GLU A 115 -9.962 2.013 14.534 1.00 22.34 O ATOM 1692 OE2 GLU A 115 -10.541 3.551 15.984 1.00 2.12 O ATOM 0 H GLU A 115 -8.619 4.413 10.975 1.00 63.23 H new ATOM 0 HA GLU A 115 -8.729 6.596 12.951 1.00 32.23 H new ATOM 0 HB2 GLU A 115 -8.010 3.671 13.265 1.00 22.44 H new ATOM 0 HB3 GLU A 115 -8.087 4.852 14.557 1.00 22.44 H new ATOM 0 HG2 GLU A 115 -10.516 5.170 14.086 1.00 73.45 H new ATOM 0 HG3 GLU A 115 -10.419 3.931 12.851 1.00 73.45 H new ATOM 1699 N PRO A 116 -6.198 6.953 13.125 1.00 73.34 N ATOM 1700 CA PRO A 116 -4.762 7.205 13.115 1.00 54.25 C ATOM 1701 C PRO A 116 -4.041 6.155 13.948 1.00 21.01 C ATOM 1702 O PRO A 116 -4.312 5.999 15.139 1.00 74.23 O ATOM 1703 CB PRO A 116 -4.609 8.591 13.769 1.00 40.10 C ATOM 1704 CG PRO A 116 -5.992 9.144 13.886 1.00 42.55 C ATOM 1705 CD PRO A 116 -6.924 7.971 13.908 1.00 13.45 C ATOM 0 HA PRO A 116 -4.340 7.167 12.111 1.00 54.25 H new ATOM 0 HB2 PRO A 116 -4.136 8.511 14.748 1.00 40.10 H new ATOM 0 HB3 PRO A 116 -3.978 9.241 13.163 1.00 40.10 H new ATOM 0 HG2 PRO A 116 -6.096 9.738 14.794 1.00 42.55 H new ATOM 0 HG3 PRO A 116 -6.218 9.802 13.047 1.00 42.55 H new ATOM 0 HD2 PRO A 116 -7.122 7.632 14.925 1.00 13.45 H new ATOM 0 HD3 PRO A 116 -7.888 8.213 13.460 1.00 13.45 H new ATOM 1713 N ARG A 117 -3.169 5.414 13.328 1.00 52.32 N ATOM 1714 CA ARG A 117 -2.434 4.377 14.014 1.00 25.21 C ATOM 1715 C ARG A 117 -0.954 4.637 13.843 1.00 13.04 C ATOM 1716 O ARG A 117 -0.506 4.898 12.727 1.00 63.34 O ATOM 1717 CB ARG A 117 -2.794 2.987 13.450 1.00 11.55 C ATOM 1718 CG ARG A 117 -4.271 2.589 13.573 1.00 0.53 C ATOM 1719 CD ARG A 117 -4.719 2.505 15.029 1.00 42.11 C ATOM 1720 NE ARG A 117 -6.129 2.082 15.165 1.00 55.13 N ATOM 1721 CZ ARG A 117 -6.720 1.755 16.331 1.00 52.43 C ATOM 1722 NH1 ARG A 117 -6.018 1.759 17.457 1.00 70.01 N ATOM 1723 NH2 ARG A 117 -8.010 1.444 16.368 1.00 41.33 N ATOM 0 H ARG A 117 -2.944 5.506 12.337 1.00 52.32 H new ATOM 0 HA ARG A 117 -2.696 4.389 15.072 1.00 25.21 H new ATOM 0 HB2 ARG A 117 -2.514 2.957 12.397 1.00 11.55 H new ATOM 0 HB3 ARG A 117 -2.190 2.238 13.962 1.00 11.55 H new ATOM 0 HG2 ARG A 117 -4.888 3.316 13.045 1.00 0.53 H new ATOM 0 HG3 ARG A 117 -4.429 1.625 13.089 1.00 0.53 H new ATOM 0 HD2 ARG A 117 -4.079 1.802 15.562 1.00 42.11 H new ATOM 0 HD3 ARG A 117 -4.588 3.478 15.503 1.00 42.11 H new ATOM 0 HE ARG A 117 -6.694 2.034 14.317 1.00 55.13 H new ATOM 0 HH11 ARG A 117 -5.029 2.010 17.441 1.00 70.01 H new ATOM 0 HH12 ARG A 117 -6.467 1.511 18.339 1.00 70.01 H new ATOM 0 HH21 ARG A 117 -8.561 1.451 15.510 1.00 41.33 H new ATOM 0 HH22 ARG A 117 -8.450 1.198 17.255 1.00 41.33 H new ATOM 1737 N ASN A 118 -0.206 4.621 14.937 1.00 25.13 N ATOM 1738 CA ASN A 118 1.253 4.827 14.871 1.00 15.42 C ATOM 1739 C ASN A 118 1.918 3.624 14.209 1.00 2.23 C ATOM 1740 O ASN A 118 2.821 3.765 13.379 1.00 35.11 O ATOM 1741 CB ASN A 118 1.877 5.114 16.266 1.00 33.33 C ATOM 1742 CG ASN A 118 1.776 3.956 17.265 1.00 34.11 C ATOM 1743 OD1 ASN A 118 2.647 3.097 17.332 1.00 43.11 O ATOM 1744 ND2 ASN A 118 0.727 3.928 18.044 1.00 32.03 N ATOM 0 H ASN A 118 -0.571 4.470 15.877 1.00 25.13 H new ATOM 0 HA ASN A 118 1.434 5.714 14.265 1.00 15.42 H new ATOM 0 HB2 ASN A 118 2.928 5.370 16.133 1.00 33.33 H new ATOM 0 HB3 ASN A 118 1.388 5.989 16.694 1.00 33.33 H new ATOM 0 HD21 ASN A 118 0.619 3.179 18.728 1.00 32.03 H new ATOM 0 HD22 ASN A 118 0.016 4.655 17.968 1.00 32.03 H new ATOM 1751 N ALA A 119 1.464 2.459 14.574 1.00 52.34 N ATOM 1752 CA ALA A 119 1.877 1.238 13.962 1.00 0.30 C ATOM 1753 C ALA A 119 0.671 0.360 13.952 1.00 54.22 C ATOM 1754 O ALA A 119 -0.101 0.358 14.917 1.00 43.21 O ATOM 1755 CB ALA A 119 3.011 0.588 14.751 1.00 75.53 C ATOM 0 H ALA A 119 0.782 2.334 15.322 1.00 52.34 H new ATOM 0 HA ALA A 119 2.258 1.408 12.955 1.00 0.30 H new ATOM 0 HB1 ALA A 119 3.307 -0.341 14.264 1.00 75.53 H new ATOM 0 HB2 ALA A 119 3.864 1.266 14.788 1.00 75.53 H new ATOM 0 HB3 ALA A 119 2.673 0.374 15.765 1.00 75.53 H new ATOM 1761 N GLN A 120 0.462 -0.323 12.888 1.00 50.45 N ATOM 1762 CA GLN A 120 -0.688 -1.153 12.763 1.00 51.24 C ATOM 1763 C GLN A 120 -0.337 -2.433 12.050 1.00 12.25 C ATOM 1764 O GLN A 120 0.583 -2.463 11.214 1.00 61.23 O ATOM 1765 CB GLN A 120 -1.802 -0.383 12.021 1.00 74.24 C ATOM 1766 CG GLN A 120 -3.105 -1.151 11.792 1.00 13.50 C ATOM 1767 CD GLN A 120 -3.791 -1.617 13.061 1.00 43.13 C ATOM 1768 OE1 GLN A 120 -3.695 -0.986 14.109 1.00 30.12 O ATOM 1769 NE2 GLN A 120 -4.460 -2.738 12.982 1.00 72.41 N ATOM 0 H GLN A 120 1.080 -0.326 12.077 1.00 50.45 H new ATOM 0 HA GLN A 120 -1.054 -1.419 13.755 1.00 51.24 H new ATOM 0 HB2 GLN A 120 -2.030 0.521 12.585 1.00 74.24 H new ATOM 0 HB3 GLN A 120 -1.415 -0.065 11.053 1.00 74.24 H new ATOM 0 HG2 GLN A 120 -3.793 -0.516 11.234 1.00 13.50 H new ATOM 0 HG3 GLN A 120 -2.895 -2.019 11.167 1.00 13.50 H new ATOM 0 HE21 GLN A 120 -4.518 -3.236 12.093 1.00 72.41 H new ATOM 0 HE22 GLN A 120 -4.923 -3.115 13.809 1.00 72.41 H new ATOM 1778 N VAL A 121 -1.027 -3.480 12.396 1.00 62.13 N ATOM 1779 CA VAL A 121 -0.956 -4.694 11.652 1.00 63.43 C ATOM 1780 C VAL A 121 -1.874 -4.479 10.460 1.00 62.14 C ATOM 1781 O VAL A 121 -3.055 -4.145 10.649 1.00 22.23 O ATOM 1782 CB VAL A 121 -1.457 -5.902 12.494 1.00 22.12 C ATOM 1783 CG1 VAL A 121 -1.446 -7.185 11.676 1.00 11.32 C ATOM 1784 CG2 VAL A 121 -0.610 -6.063 13.749 1.00 31.04 C ATOM 0 H VAL A 121 -1.652 -3.512 13.201 1.00 62.13 H new ATOM 0 HA VAL A 121 0.069 -4.921 11.359 1.00 63.43 H new ATOM 0 HB VAL A 121 -2.487 -5.702 12.790 1.00 22.12 H new ATOM 0 HG11 VAL A 121 -1.801 -8.012 12.291 1.00 11.32 H new ATOM 0 HG12 VAL A 121 -2.099 -7.070 10.810 1.00 11.32 H new ATOM 0 HG13 VAL A 121 -0.430 -7.393 11.340 1.00 11.32 H new ATOM 0 HG21 VAL A 121 -0.974 -6.913 14.327 1.00 31.04 H new ATOM 0 HG22 VAL A 121 0.429 -6.234 13.467 1.00 31.04 H new ATOM 0 HG23 VAL A 121 -0.678 -5.158 14.352 1.00 31.04 H new ATOM 1794 N MET A 122 -1.327 -4.580 9.259 1.00 74.23 N ATOM 1795 CA MET A 122 -2.100 -4.315 8.055 1.00 1.33 C ATOM 1796 C MET A 122 -3.269 -5.247 7.941 1.00 4.21 C ATOM 1797 O MET A 122 -3.156 -6.453 8.196 1.00 25.42 O ATOM 1798 CB MET A 122 -1.250 -4.263 6.774 1.00 54.21 C ATOM 1799 CG MET A 122 -0.352 -3.037 6.718 1.00 5.34 C ATOM 1800 SD MET A 122 0.520 -2.805 5.150 1.00 62.32 S ATOM 1801 CE MET A 122 1.606 -4.217 5.124 1.00 43.13 C ATOM 0 H MET A 122 -0.356 -4.842 9.092 1.00 74.23 H new ATOM 0 HA MET A 122 -2.499 -3.306 8.162 1.00 1.33 H new ATOM 0 HB2 MET A 122 -0.636 -5.162 6.713 1.00 54.21 H new ATOM 0 HB3 MET A 122 -1.908 -4.267 5.905 1.00 54.21 H new ATOM 0 HG2 MET A 122 -0.957 -2.152 6.915 1.00 5.34 H new ATOM 0 HG3 MET A 122 0.383 -3.106 7.520 1.00 5.34 H new ATOM 0 HE1 MET A 122 2.514 -3.968 4.575 1.00 43.13 H new ATOM 0 HE2 MET A 122 1.865 -4.496 6.145 1.00 43.13 H new ATOM 0 HE3 MET A 122 1.105 -5.053 4.635 1.00 43.13 H new ATOM 1811 N GLN A 123 -4.372 -4.700 7.536 1.00 13.45 N ATOM 1812 CA GLN A 123 -5.608 -5.390 7.600 1.00 25.53 C ATOM 1813 C GLN A 123 -5.967 -5.860 6.209 1.00 42.11 C ATOM 1814 O GLN A 123 -6.058 -5.063 5.278 1.00 4.43 O ATOM 1815 CB GLN A 123 -6.655 -4.390 8.089 1.00 12.33 C ATOM 1816 CG GLN A 123 -7.826 -4.977 8.842 1.00 11.01 C ATOM 1817 CD GLN A 123 -7.402 -5.526 10.182 1.00 61.44 C ATOM 1818 OE1 GLN A 123 -7.380 -4.810 11.176 1.00 0.43 O ATOM 1819 NE2 GLN A 123 -7.109 -6.790 10.236 1.00 72.33 N ATOM 0 H GLN A 123 -4.434 -3.757 7.151 1.00 13.45 H new ATOM 0 HA GLN A 123 -5.556 -6.250 8.268 1.00 25.53 H new ATOM 0 HB2 GLN A 123 -6.161 -3.662 8.733 1.00 12.33 H new ATOM 0 HB3 GLN A 123 -7.039 -3.844 7.227 1.00 12.33 H new ATOM 0 HG2 GLN A 123 -8.588 -4.211 8.986 1.00 11.01 H new ATOM 0 HG3 GLN A 123 -8.280 -5.771 8.249 1.00 11.01 H new ATOM 0 HE21 GLN A 123 -7.138 -7.357 9.388 1.00 72.33 H new ATOM 0 HE22 GLN A 123 -6.850 -7.216 11.126 1.00 72.33 H new ATOM 1828 N THR A 124 -6.168 -7.135 6.077 1.00 63.24 N ATOM 1829 CA THR A 124 -6.501 -7.732 4.822 1.00 12.24 C ATOM 1830 C THR A 124 -8.000 -7.608 4.568 1.00 72.53 C ATOM 1831 O THR A 124 -8.807 -8.100 5.359 1.00 43.53 O ATOM 1832 CB THR A 124 -6.066 -9.215 4.832 1.00 71.20 C ATOM 1833 OG1 THR A 124 -6.541 -9.842 6.042 1.00 62.25 O ATOM 1834 CG2 THR A 124 -4.547 -9.336 4.771 1.00 24.23 C ATOM 0 H THR A 124 -6.104 -7.799 6.849 1.00 63.24 H new ATOM 0 HA THR A 124 -5.977 -7.216 4.018 1.00 12.24 H new ATOM 0 HB THR A 124 -6.492 -9.707 3.958 1.00 71.20 H new ATOM 0 HG1 THR A 124 -7.476 -9.592 6.195 1.00 62.25 H new ATOM 0 HG21 THR A 124 -4.265 -10.389 4.779 1.00 24.23 H new ATOM 0 HG22 THR A 124 -4.181 -8.870 3.856 1.00 24.23 H new ATOM 0 HG23 THR A 124 -4.107 -8.836 5.634 1.00 24.23 H new ATOM 1842 N GLY A 125 -8.357 -6.911 3.525 1.00 71.22 N ATOM 1843 CA GLY A 125 -9.740 -6.734 3.183 1.00 43.54 C ATOM 1844 C GLY A 125 -10.284 -5.441 3.725 1.00 70.21 C ATOM 1845 O GLY A 125 -11.501 -5.219 3.729 1.00 63.34 O ATOM 0 H GLY A 125 -7.702 -6.452 2.892 1.00 71.22 H new ATOM 0 HA2 GLY A 125 -9.852 -6.750 2.099 1.00 43.54 H new ATOM 0 HA3 GLY A 125 -10.322 -7.567 3.576 1.00 43.54 H new ATOM 1849 N ASP A 126 -9.401 -4.566 4.163 1.00 33.54 N ATOM 1850 CA ASP A 126 -9.831 -3.312 4.751 1.00 31.24 C ATOM 1851 C ASP A 126 -9.027 -2.168 4.137 1.00 73.33 C ATOM 1852 O ASP A 126 -8.195 -2.412 3.240 1.00 55.00 O ATOM 1853 CB ASP A 126 -9.680 -3.355 6.270 1.00 4.24 C ATOM 1854 CG ASP A 126 -10.671 -2.460 6.977 1.00 53.32 C ATOM 1855 OD1 ASP A 126 -10.415 -1.255 7.116 1.00 45.52 O ATOM 1856 OD2 ASP A 126 -11.747 -2.970 7.398 1.00 14.41 O ATOM 0 H ASP A 126 -8.390 -4.697 4.124 1.00 33.54 H new ATOM 0 HA ASP A 126 -10.887 -3.147 4.537 1.00 31.24 H new ATOM 0 HB2 ASP A 126 -9.811 -4.380 6.616 1.00 4.24 H new ATOM 0 HB3 ASP A 126 -8.668 -3.054 6.540 1.00 4.24 H new ATOM 1861 N GLU A 127 -9.218 -0.957 4.619 1.00 1.35 N ATOM 1862 CA GLU A 127 -8.638 0.205 3.968 1.00 12.52 C ATOM 1863 C GLU A 127 -7.538 0.908 4.762 1.00 44.31 C ATOM 1864 O GLU A 127 -7.541 0.954 6.012 1.00 32.24 O ATOM 1865 CB GLU A 127 -9.717 1.219 3.603 1.00 43.21 C ATOM 1866 CG GLU A 127 -10.578 1.648 4.781 1.00 22.25 C ATOM 1867 CD GLU A 127 -11.452 2.823 4.462 1.00 24.15 C ATOM 1868 OE1 GLU A 127 -11.942 2.936 3.316 1.00 65.15 O ATOM 1869 OE2 GLU A 127 -11.634 3.690 5.333 1.00 11.34 O ATOM 0 H GLU A 127 -9.766 -0.750 5.454 1.00 1.35 H new ATOM 0 HA GLU A 127 -8.162 -0.195 3.072 1.00 12.52 H new ATOM 0 HB2 GLU A 127 -9.243 2.100 3.171 1.00 43.21 H new ATOM 0 HB3 GLU A 127 -10.359 0.792 2.832 1.00 43.21 H new ATOM 0 HG2 GLU A 127 -11.202 0.811 5.093 1.00 22.25 H new ATOM 0 HG3 GLU A 127 -9.934 1.898 5.624 1.00 22.25 H new ATOM 1876 N ILE A 128 -6.624 1.479 4.011 1.00 45.54 N ATOM 1877 CA ILE A 128 -5.544 2.292 4.506 1.00 51.23 C ATOM 1878 C ILE A 128 -5.694 3.646 3.828 1.00 52.23 C ATOM 1879 O ILE A 128 -5.659 3.743 2.607 1.00 62.35 O ATOM 1880 CB ILE A 128 -4.155 1.695 4.129 1.00 45.24 C ATOM 1881 CG1 ILE A 128 -4.011 0.251 4.631 1.00 14.35 C ATOM 1882 CG2 ILE A 128 -3.012 2.572 4.653 1.00 22.00 C ATOM 1883 CD1 ILE A 128 -4.003 0.089 6.135 1.00 43.24 C ATOM 0 H ILE A 128 -6.615 1.383 2.996 1.00 45.54 H new ATOM 0 HA ILE A 128 -5.589 2.353 5.593 1.00 51.23 H new ATOM 0 HB ILE A 128 -4.093 1.677 3.041 1.00 45.24 H new ATOM 0 HG12 ILE A 128 -4.829 -0.342 4.222 1.00 14.35 H new ATOM 0 HG13 ILE A 128 -3.086 -0.165 4.232 1.00 14.35 H new ATOM 0 HG21 ILE A 128 -2.056 2.129 4.374 1.00 22.00 H new ATOM 0 HG22 ILE A 128 -3.090 3.569 4.219 1.00 22.00 H new ATOM 0 HG23 ILE A 128 -3.076 2.643 5.739 1.00 22.00 H new ATOM 0 HD11 ILE A 128 -3.897 -0.966 6.387 1.00 43.24 H new ATOM 0 HD12 ILE A 128 -3.168 0.648 6.557 1.00 43.24 H new ATOM 0 HD13 ILE A 128 -4.938 0.468 6.547 1.00 43.24 H new ATOM 1895 N GLN A 129 -5.908 4.651 4.587 1.00 62.25 N ATOM 1896 CA GLN A 129 -6.124 5.971 4.042 1.00 61.44 C ATOM 1897 C GLN A 129 -5.040 6.874 4.600 1.00 22.32 C ATOM 1898 O GLN A 129 -4.950 7.055 5.795 1.00 63.35 O ATOM 1899 CB GLN A 129 -7.528 6.471 4.455 1.00 25.12 C ATOM 1900 CG GLN A 129 -8.151 7.567 3.570 1.00 62.14 C ATOM 1901 CD GLN A 129 -7.332 8.838 3.451 1.00 32.43 C ATOM 1902 OE1 GLN A 129 -6.516 8.979 2.552 1.00 61.02 O ATOM 1903 NE2 GLN A 129 -7.527 9.751 4.361 1.00 53.32 N ATOM 0 H GLN A 129 -5.942 4.602 5.605 1.00 62.25 H new ATOM 0 HA GLN A 129 -6.077 5.966 2.953 1.00 61.44 H new ATOM 0 HB2 GLN A 129 -8.205 5.617 4.469 1.00 25.12 H new ATOM 0 HB3 GLN A 129 -7.470 6.848 5.476 1.00 25.12 H new ATOM 0 HG2 GLN A 129 -8.309 7.160 2.571 1.00 62.14 H new ATOM 0 HG3 GLN A 129 -9.133 7.821 3.970 1.00 62.14 H new ATOM 0 HE21 GLN A 129 -8.217 9.599 5.097 1.00 53.32 H new ATOM 0 HE22 GLN A 129 -6.990 10.618 4.337 1.00 53.32 H new ATOM 1912 N ILE A 130 -4.210 7.398 3.771 1.00 51.04 N ATOM 1913 CA ILE A 130 -3.172 8.266 4.242 1.00 70.41 C ATOM 1914 C ILE A 130 -3.168 9.573 3.456 1.00 62.31 C ATOM 1915 O ILE A 130 -2.832 9.609 2.279 1.00 74.03 O ATOM 1916 CB ILE A 130 -1.778 7.559 4.268 1.00 72.11 C ATOM 1917 CG1 ILE A 130 -0.676 8.521 4.732 1.00 20.44 C ATOM 1918 CG2 ILE A 130 -1.433 6.913 2.923 1.00 13.02 C ATOM 1919 CD1 ILE A 130 0.680 7.870 4.868 1.00 70.23 C ATOM 0 H ILE A 130 -4.223 7.246 2.762 1.00 51.04 H new ATOM 0 HA ILE A 130 -3.385 8.518 5.281 1.00 70.41 H new ATOM 0 HB ILE A 130 -1.841 6.751 4.997 1.00 72.11 H new ATOM 0 HG12 ILE A 130 -0.604 9.346 4.023 1.00 20.44 H new ATOM 0 HG13 ILE A 130 -0.961 8.950 5.692 1.00 20.44 H new ATOM 0 HG21 ILE A 130 -0.456 6.434 2.989 1.00 13.02 H new ATOM 0 HG22 ILE A 130 -2.187 6.166 2.674 1.00 13.02 H new ATOM 0 HG23 ILE A 130 -1.410 7.678 2.147 1.00 13.02 H new ATOM 0 HD11 ILE A 130 1.408 8.611 5.199 1.00 70.23 H new ATOM 0 HD12 ILE A 130 0.625 7.063 5.599 1.00 70.23 H new ATOM 0 HD13 ILE A 130 0.988 7.465 3.904 1.00 70.23 H new ATOM 1931 N GLY A 131 -3.579 10.639 4.105 1.00 45.33 N ATOM 1932 CA GLY A 131 -3.674 11.923 3.442 1.00 2.13 C ATOM 1933 C GLY A 131 -4.819 11.923 2.451 1.00 51.15 C ATOM 1934 O GLY A 131 -5.977 12.014 2.845 1.00 1.34 O ATOM 0 H GLY A 131 -3.852 10.644 5.088 1.00 45.33 H new ATOM 0 HA2 GLY A 131 -3.824 12.710 4.181 1.00 2.13 H new ATOM 0 HA3 GLY A 131 -2.739 12.143 2.927 1.00 2.13 H new ATOM 1938 N LYS A 132 -4.501 11.822 1.169 1.00 65.02 N ATOM 1939 CA LYS A 132 -5.525 11.673 0.135 1.00 70.23 C ATOM 1940 C LYS A 132 -5.294 10.366 -0.608 1.00 45.31 C ATOM 1941 O LYS A 132 -5.957 10.074 -1.607 1.00 43.44 O ATOM 1942 CB LYS A 132 -5.537 12.822 -0.907 1.00 43.52 C ATOM 1943 CG LYS A 132 -5.729 14.245 -0.369 1.00 72.42 C ATOM 1944 CD LYS A 132 -4.419 14.900 0.068 1.00 42.41 C ATOM 1945 CE LYS A 132 -3.443 15.045 -1.107 1.00 14.14 C ATOM 1946 NZ LYS A 132 -2.219 15.775 -0.735 1.00 50.12 N ATOM 0 H LYS A 132 -3.544 11.840 0.816 1.00 65.02 H new ATOM 0 HA LYS A 132 -6.485 11.692 0.651 1.00 70.23 H new ATOM 0 HB2 LYS A 132 -4.596 12.791 -1.457 1.00 43.52 H new ATOM 0 HB3 LYS A 132 -6.332 12.621 -1.625 1.00 43.52 H new ATOM 0 HG2 LYS A 132 -6.196 14.859 -1.139 1.00 72.42 H new ATOM 0 HG3 LYS A 132 -6.415 14.218 0.477 1.00 72.42 H new ATOM 0 HD2 LYS A 132 -4.626 15.882 0.493 1.00 42.41 H new ATOM 0 HD3 LYS A 132 -3.957 14.303 0.854 1.00 42.41 H new ATOM 0 HE2 LYS A 132 -3.174 14.055 -1.476 1.00 14.14 H new ATOM 0 HE3 LYS A 132 -3.939 15.567 -1.925 1.00 14.14 H new ATOM 0 HZ1 LYS A 132 -2.184 16.679 -1.249 1.00 50.12 H new ATOM 0 HZ2 LYS A 132 -2.222 15.959 0.289 1.00 50.12 H new ATOM 0 HZ3 LYS A 132 -1.386 15.204 -0.982 1.00 50.12 H new ATOM 1960 N PHE A 133 -4.355 9.580 -0.125 1.00 74.42 N ATOM 1961 CA PHE A 133 -4.008 8.348 -0.783 1.00 52.01 C ATOM 1962 C PHE A 133 -4.843 7.231 -0.205 1.00 2.13 C ATOM 1963 O PHE A 133 -4.619 6.807 0.940 1.00 3.43 O ATOM 1964 CB PHE A 133 -2.519 7.997 -0.591 1.00 23.45 C ATOM 1965 CG PHE A 133 -1.536 9.087 -0.947 1.00 51.45 C ATOM 1966 CD1 PHE A 133 -1.221 9.358 -2.254 1.00 45.23 C ATOM 1967 CD2 PHE A 133 -0.912 9.818 0.046 1.00 23.03 C ATOM 1968 CE1 PHE A 133 -0.305 10.341 -2.569 1.00 2.51 C ATOM 1969 CE2 PHE A 133 -0.004 10.798 -0.261 1.00 40.34 C ATOM 1970 CZ PHE A 133 0.301 11.059 -1.571 1.00 54.02 C ATOM 0 H PHE A 133 -3.821 9.776 0.721 1.00 74.42 H new ATOM 0 HA PHE A 133 -4.198 8.471 -1.849 1.00 52.01 H new ATOM 0 HB2 PHE A 133 -2.362 7.718 0.451 1.00 23.45 H new ATOM 0 HB3 PHE A 133 -2.292 7.118 -1.194 1.00 23.45 H new ATOM 0 HD1 PHE A 133 -1.695 8.796 -3.045 1.00 45.23 H new ATOM 0 HD2 PHE A 133 -1.144 9.614 1.081 1.00 23.03 H new ATOM 0 HE1 PHE A 133 -0.066 10.545 -3.602 1.00 2.51 H new ATOM 0 HE2 PHE A 133 0.470 11.363 0.528 1.00 40.34 H new ATOM 0 HZ PHE A 133 1.017 11.829 -1.817 1.00 54.02 H new ATOM 1980 N ARG A 134 -5.806 6.771 -0.955 1.00 11.14 N ATOM 1981 CA ARG A 134 -6.607 5.672 -0.508 1.00 62.42 C ATOM 1982 C ARG A 134 -6.082 4.375 -1.083 1.00 51.33 C ATOM 1983 O ARG A 134 -5.988 4.182 -2.319 1.00 11.13 O ATOM 1984 CB ARG A 134 -8.117 5.901 -0.759 1.00 71.45 C ATOM 1985 CG ARG A 134 -8.466 6.510 -2.111 1.00 21.20 C ATOM 1986 CD ARG A 134 -9.962 6.791 -2.230 1.00 51.02 C ATOM 1987 NE ARG A 134 -10.271 7.637 -3.397 1.00 43.10 N ATOM 1988 CZ ARG A 134 -11.415 7.606 -4.113 1.00 22.32 C ATOM 1989 NH1 ARG A 134 -12.355 6.709 -3.841 1.00 55.52 N ATOM 1990 NH2 ARG A 134 -11.608 8.474 -5.112 1.00 11.40 N ATOM 0 H ARG A 134 -6.052 7.140 -1.874 1.00 11.14 H new ATOM 0 HA ARG A 134 -6.519 5.598 0.576 1.00 62.42 H new ATOM 0 HB2 ARG A 134 -8.633 4.946 -0.665 1.00 71.45 H new ATOM 0 HB3 ARG A 134 -8.505 6.551 0.025 1.00 71.45 H new ATOM 0 HG2 ARG A 134 -7.909 7.437 -2.248 1.00 21.20 H new ATOM 0 HG3 ARG A 134 -8.158 5.832 -2.907 1.00 21.20 H new ATOM 0 HD2 ARG A 134 -10.503 5.848 -2.311 1.00 51.02 H new ATOM 0 HD3 ARG A 134 -10.312 7.282 -1.322 1.00 51.02 H new ATOM 0 HE ARG A 134 -9.557 8.305 -3.689 1.00 43.10 H new ATOM 0 HH11 ARG A 134 -12.216 6.037 -3.087 1.00 55.52 H new ATOM 0 HH12 ARG A 134 -13.217 6.692 -4.386 1.00 55.52 H new ATOM 0 HH21 ARG A 134 -10.889 9.163 -5.335 1.00 11.40 H new ATOM 0 HH22 ARG A 134 -12.474 8.447 -5.651 1.00 11.40 H new ATOM 2004 N LEU A 135 -5.736 3.508 -0.181 1.00 12.34 N ATOM 2005 CA LEU A 135 -5.110 2.254 -0.454 1.00 12.33 C ATOM 2006 C LEU A 135 -5.955 1.148 0.172 1.00 14.11 C ATOM 2007 O LEU A 135 -6.530 1.338 1.243 1.00 70.14 O ATOM 2008 CB LEU A 135 -3.725 2.292 0.215 1.00 65.23 C ATOM 2009 CG LEU A 135 -2.791 1.106 0.008 1.00 73.45 C ATOM 2010 CD1 LEU A 135 -2.234 1.116 -1.394 1.00 53.43 C ATOM 2011 CD2 LEU A 135 -1.669 1.125 1.033 1.00 1.41 C ATOM 0 H LEU A 135 -5.891 3.666 0.815 1.00 12.34 H new ATOM 0 HA LEU A 135 -5.015 2.070 -1.524 1.00 12.33 H new ATOM 0 HB2 LEU A 135 -3.210 3.186 -0.137 1.00 65.23 H new ATOM 0 HB3 LEU A 135 -3.877 2.413 1.288 1.00 65.23 H new ATOM 0 HG LEU A 135 -3.361 0.187 0.145 1.00 73.45 H new ATOM 0 HD11 LEU A 135 -1.569 0.263 -1.527 1.00 53.43 H new ATOM 0 HD12 LEU A 135 -3.052 1.053 -2.111 1.00 53.43 H new ATOM 0 HD13 LEU A 135 -1.678 2.039 -1.558 1.00 53.43 H new ATOM 0 HD21 LEU A 135 -1.012 0.271 0.869 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -1.097 2.047 0.930 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -2.092 1.071 2.036 1.00 1.41 H new ATOM 2023 N VAL A 136 -6.057 0.031 -0.480 1.00 4.15 N ATOM 2024 CA VAL A 136 -6.772 -1.098 0.078 1.00 14.32 C ATOM 2025 C VAL A 136 -5.817 -2.285 0.089 1.00 65.21 C ATOM 2026 O VAL A 136 -5.098 -2.511 -0.890 1.00 71.10 O ATOM 2027 CB VAL A 136 -8.071 -1.447 -0.726 1.00 12.11 C ATOM 2028 CG1 VAL A 136 -8.872 -2.536 -0.024 1.00 5.21 C ATOM 2029 CG2 VAL A 136 -8.943 -0.211 -0.947 1.00 22.12 C ATOM 0 H VAL A 136 -5.656 -0.133 -1.403 1.00 4.15 H new ATOM 0 HA VAL A 136 -7.102 -0.847 1.086 1.00 14.32 H new ATOM 0 HB VAL A 136 -7.757 -1.819 -1.701 1.00 12.11 H new ATOM 0 HG11 VAL A 136 -9.768 -2.759 -0.603 1.00 5.21 H new ATOM 0 HG12 VAL A 136 -8.263 -3.436 0.064 1.00 5.21 H new ATOM 0 HG13 VAL A 136 -9.158 -2.193 0.970 1.00 5.21 H new ATOM 0 HG21 VAL A 136 -9.835 -0.491 -1.508 1.00 22.12 H new ATOM 0 HG22 VAL A 136 -9.236 0.205 0.017 1.00 22.12 H new ATOM 0 HG23 VAL A 136 -8.381 0.535 -1.508 1.00 22.12 H new ATOM 2039 N PHE A 137 -5.777 -3.006 1.178 1.00 63.31 N ATOM 2040 CA PHE A 137 -4.842 -4.109 1.326 1.00 74.24 C ATOM 2041 C PHE A 137 -5.608 -5.422 1.259 1.00 14.20 C ATOM 2042 O PHE A 137 -6.502 -5.655 2.062 1.00 24.15 O ATOM 2043 CB PHE A 137 -4.106 -3.955 2.666 1.00 55.22 C ATOM 2044 CG PHE A 137 -2.992 -4.932 2.899 1.00 23.33 C ATOM 2045 CD1 PHE A 137 -1.831 -4.851 2.161 1.00 63.13 C ATOM 2046 CD2 PHE A 137 -3.094 -5.904 3.873 1.00 52.20 C ATOM 2047 CE1 PHE A 137 -0.790 -5.718 2.383 1.00 42.43 C ATOM 2048 CE2 PHE A 137 -2.056 -6.779 4.100 1.00 72.30 C ATOM 2049 CZ PHE A 137 -0.901 -6.685 3.354 1.00 32.14 C ATOM 0 H PHE A 137 -6.382 -2.854 1.985 1.00 63.31 H new ATOM 0 HA PHE A 137 -4.104 -4.105 0.524 1.00 74.24 H new ATOM 0 HB2 PHE A 137 -3.700 -2.945 2.725 1.00 55.22 H new ATOM 0 HB3 PHE A 137 -4.831 -4.055 3.474 1.00 55.22 H new ATOM 0 HD1 PHE A 137 -1.739 -4.094 1.396 1.00 63.13 H new ATOM 0 HD2 PHE A 137 -3.996 -5.979 4.462 1.00 52.20 H new ATOM 0 HE1 PHE A 137 0.114 -5.641 1.797 1.00 42.43 H new ATOM 0 HE2 PHE A 137 -2.147 -7.539 4.862 1.00 72.30 H new ATOM 0 HZ PHE A 137 -0.085 -7.370 3.532 1.00 32.14 H new ATOM 2059 N LEU A 138 -5.279 -6.271 0.302 1.00 22.03 N ATOM 2060 CA LEU A 138 -6.026 -7.505 0.106 1.00 12.03 C ATOM 2061 C LEU A 138 -5.150 -8.729 0.214 1.00 55.14 C ATOM 2062 O LEU A 138 -3.988 -8.737 -0.220 1.00 52.55 O ATOM 2063 CB LEU A 138 -6.742 -7.567 -1.269 1.00 12.41 C ATOM 2064 CG LEU A 138 -7.843 -6.541 -1.593 1.00 62.24 C ATOM 2065 CD1 LEU A 138 -8.891 -6.456 -0.494 1.00 12.34 C ATOM 2066 CD2 LEU A 138 -7.271 -5.181 -1.948 1.00 70.43 C ATOM 0 H LEU A 138 -4.506 -6.132 -0.348 1.00 22.03 H new ATOM 0 HA LEU A 138 -6.768 -7.501 0.904 1.00 12.03 H new ATOM 0 HB2 LEU A 138 -5.977 -7.481 -2.041 1.00 12.41 H new ATOM 0 HB3 LEU A 138 -7.181 -8.560 -1.365 1.00 12.41 H new ATOM 0 HG LEU A 138 -8.356 -6.905 -2.483 1.00 62.24 H new ATOM 0 HD11 LEU A 138 -9.646 -5.719 -0.768 1.00 12.34 H new ATOM 0 HD12 LEU A 138 -9.363 -7.430 -0.366 1.00 12.34 H new ATOM 0 HD13 LEU A 138 -8.415 -6.158 0.440 1.00 12.34 H new ATOM 0 HD21 LEU A 138 -8.085 -4.490 -2.169 1.00 70.43 H new ATOM 0 HD22 LEU A 138 -6.690 -4.800 -1.108 1.00 70.43 H new ATOM 0 HD23 LEU A 138 -6.627 -5.274 -2.822 1.00 70.43 H new ATOM 2078 N ALA A 139 -5.716 -9.764 0.767 1.00 53.11 N ATOM 2079 CA ALA A 139 -5.095 -11.056 0.810 1.00 12.54 C ATOM 2080 C ALA A 139 -5.563 -11.800 -0.422 1.00 33.12 C ATOM 2081 O ALA A 139 -6.550 -12.550 -0.390 1.00 23.22 O ATOM 2082 CB ALA A 139 -5.476 -11.807 2.073 1.00 62.23 C ATOM 0 H ALA A 139 -6.636 -9.733 1.207 1.00 53.11 H new ATOM 0 HA ALA A 139 -4.009 -10.963 0.823 1.00 12.54 H new ATOM 0 HB1 ALA A 139 -4.990 -12.783 2.077 1.00 62.23 H new ATOM 0 HB2 ALA A 139 -5.155 -11.238 2.945 1.00 62.23 H new ATOM 0 HB3 ALA A 139 -6.557 -11.940 2.105 1.00 62.23 H new ATOM 2088 N GLY A 140 -4.932 -11.493 -1.517 1.00 70.40 N ATOM 2089 CA GLY A 140 -5.333 -12.023 -2.796 1.00 61.11 C ATOM 2090 C GLY A 140 -4.900 -13.448 -3.026 1.00 1.11 C ATOM 2091 O GLY A 140 -5.742 -14.348 -3.020 1.00 51.40 O ATOM 0 H GLY A 140 -4.126 -10.870 -1.554 1.00 70.40 H new ATOM 0 HA2 GLY A 140 -6.418 -11.965 -2.879 1.00 61.11 H new ATOM 0 HA3 GLY A 140 -4.919 -11.395 -3.585 1.00 61.11 H new ATOM 2095 N PRO A 141 -3.598 -13.699 -3.241 1.00 3.04 N ATOM 2096 CA PRO A 141 -3.107 -15.030 -3.518 1.00 51.11 C ATOM 2097 C PRO A 141 -3.282 -15.979 -2.354 1.00 32.33 C ATOM 2098 O PRO A 141 -3.024 -15.640 -1.190 1.00 72.43 O ATOM 2099 CB PRO A 141 -1.614 -14.845 -3.808 1.00 21.11 C ATOM 2100 CG PRO A 141 -1.437 -13.391 -4.040 1.00 71.10 C ATOM 2101 CD PRO A 141 -2.506 -12.716 -3.244 1.00 55.32 C ATOM 0 HA PRO A 141 -3.663 -15.473 -4.345 1.00 51.11 H new ATOM 0 HB2 PRO A 141 -1.006 -15.186 -2.971 1.00 21.11 H new ATOM 0 HB3 PRO A 141 -1.308 -15.422 -4.680 1.00 21.11 H new ATOM 0 HG2 PRO A 141 -0.447 -13.062 -3.723 1.00 71.10 H new ATOM 0 HG3 PRO A 141 -1.528 -13.151 -5.099 1.00 71.10 H new ATOM 0 HD2 PRO A 141 -2.170 -12.485 -2.233 1.00 55.32 H new ATOM 0 HD3 PRO A 141 -2.813 -11.775 -3.700 1.00 55.32 H new