USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 957 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 89 GLN : amide:sc= -3.77! C(o=-4.6!,f=-6.3!) USER MOD Set 1.2: A 90 ASN :FLIP amide:sc= -0.779 F(o=-6.8,f=-4.6) USER MOD Set 2.1: A 83 ASN :FLIP amide:sc= -1.17 F(o=-3.5!,f=0.0024) USER MOD Set 2.2: A 103 THR OG1 : rot 84:sc= 1.17 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 157:sc= 1.27 (180deg=0) USER MOD Set 3.2: A 76 ASN : amide:sc= 1.09 K(o=2.4,f=-5.9!) USER MOD Set 4.1: A 20 MET CE :methyl 140:sc=-0.00928 (180deg=-0.398) USER MOD Set 4.2: A 53 LYS NZ :NH3+ 168:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.329 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 30:sc= 0.962 USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0499 F(o=-1.3!,f=-0.05) USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.21) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.23) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 82:sc= 0.91 USER MOD Single : A 49 GLN : amide:sc= -0.0216 K(o=-0.022,f=-0.99) USER MOD Single : A 50 ASN : amide:sc= -0.163 K(o=-0.16,f=-2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 65 SER OG : rot -160:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0873 K(o=-0.087,f=-0.65) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00845) USER MOD Single : A 78 GLN : amide:sc= 0.847 K(o=0.85,f=-6.2!) USER MOD Single : A 84 HIS :FLIP no HE2:sc= -2.1 F(o=-3.8!,f=-2.1) USER MOD Single : A 85 THR OG1 : rot 5:sc= 0.623 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -4.12 F(o=-5.8!,f=-4.1) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 95 GLN : amide:sc= 0.589 K(o=0.59,f=-5.3!) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.459 F(o=-1.5,f=-0.46) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.093 X(o=-0.093,f=-0.22) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0303) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 13:sc= 0.516! USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.004 -18.619 -30.801 1.00 0.00 N ATOM 2 CA GLY A 1 -0.494 -19.187 -29.567 1.00 0.00 C ATOM 3 C GLY A 1 0.969 -19.572 -29.668 1.00 0.00 C ATOM 4 O GLY A 1 1.348 -20.380 -30.515 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.007 -18.372 -30.681 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.463 -17.763 -31.039 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.908 -19.314 -31.569 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.622 -18.467 -28.759 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.081 -20.067 -29.306 1.00 0.00 H new ATOM 8 N SER A 2 1.793 -18.992 -28.801 1.00 0.00 N ATOM 9 CA SER A 2 3.223 -19.275 -28.800 1.00 0.00 C ATOM 10 C SER A 2 3.821 -19.044 -27.415 1.00 0.00 C ATOM 11 O SER A 2 3.911 -17.909 -26.947 1.00 0.00 O ATOM 12 CB SER A 2 3.939 -18.398 -29.829 1.00 0.00 C ATOM 13 OG SER A 2 3.634 -17.028 -29.633 1.00 0.00 O ATOM 0 H SER A 2 1.495 -18.324 -28.091 1.00 0.00 H new ATOM 0 HA SER A 2 3.361 -20.323 -29.067 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.016 -18.548 -29.753 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.645 -18.699 -30.835 1.00 0.00 H new ATOM 0 HG SER A 2 3.615 -16.831 -28.673 1.00 0.00 H new ATOM 19 N SER A 3 4.228 -20.129 -26.764 1.00 0.00 N ATOM 20 CA SER A 3 4.814 -20.047 -25.432 1.00 0.00 C ATOM 21 C SER A 3 6.190 -19.390 -25.483 1.00 0.00 C ATOM 22 O SER A 3 7.210 -20.069 -25.592 1.00 0.00 O ATOM 23 CB SER A 3 4.924 -21.442 -24.813 1.00 0.00 C ATOM 24 OG SER A 3 3.680 -21.866 -24.284 1.00 0.00 O ATOM 0 H SER A 3 4.162 -21.076 -27.138 1.00 0.00 H new ATOM 0 HA SER A 3 4.161 -19.433 -24.812 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.263 -22.152 -25.567 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.675 -21.434 -24.023 1.00 0.00 H new ATOM 0 HG SER A 3 3.777 -22.761 -23.896 1.00 0.00 H new ATOM 30 N GLY A 4 6.209 -18.063 -25.402 1.00 0.00 N ATOM 31 CA GLY A 4 7.464 -17.336 -25.441 1.00 0.00 C ATOM 32 C GLY A 4 7.281 -15.851 -25.193 1.00 0.00 C ATOM 33 O GLY A 4 6.403 -15.220 -25.780 1.00 0.00 O ATOM 0 H GLY A 4 5.378 -17.479 -25.310 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.141 -17.746 -24.692 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.936 -17.484 -26.412 1.00 0.00 H new ATOM 37 N SER A 5 8.113 -15.292 -24.319 1.00 0.00 N ATOM 38 CA SER A 5 8.035 -13.874 -23.990 1.00 0.00 C ATOM 39 C SER A 5 9.323 -13.400 -23.324 1.00 0.00 C ATOM 40 O SER A 5 10.217 -14.196 -23.039 1.00 0.00 O ATOM 41 CB SER A 5 6.843 -13.606 -23.070 1.00 0.00 C ATOM 42 OG SER A 5 7.080 -14.114 -21.768 1.00 0.00 O ATOM 0 H SER A 5 8.848 -15.800 -23.827 1.00 0.00 H new ATOM 0 HA SER A 5 7.900 -13.318 -24.918 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.654 -12.534 -23.017 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.947 -14.067 -23.486 1.00 0.00 H new ATOM 0 HG SER A 5 6.304 -13.929 -21.198 1.00 0.00 H new ATOM 48 N SER A 6 9.410 -12.096 -23.079 1.00 0.00 N ATOM 49 CA SER A 6 10.590 -11.513 -22.450 1.00 0.00 C ATOM 50 C SER A 6 10.205 -10.333 -21.563 1.00 0.00 C ATOM 51 O SER A 6 9.791 -9.283 -22.052 1.00 0.00 O ATOM 52 CB SER A 6 11.591 -11.061 -23.515 1.00 0.00 C ATOM 53 OG SER A 6 11.077 -9.977 -24.270 1.00 0.00 O ATOM 0 H SER A 6 8.678 -11.423 -23.306 1.00 0.00 H new ATOM 0 HA SER A 6 11.055 -12.277 -21.827 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.526 -10.766 -23.038 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.821 -11.894 -24.179 1.00 0.00 H new ATOM 0 HG SER A 6 10.473 -9.446 -23.710 1.00 0.00 H new ATOM 59 N GLY A 7 10.346 -10.515 -20.253 1.00 0.00 N ATOM 60 CA GLY A 7 10.010 -9.458 -19.318 1.00 0.00 C ATOM 61 C GLY A 7 9.748 -9.982 -17.920 1.00 0.00 C ATOM 62 O GLY A 7 10.680 -10.199 -17.145 1.00 0.00 O ATOM 0 H GLY A 7 10.687 -11.375 -19.824 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.824 -8.734 -19.285 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.127 -8.928 -19.675 1.00 0.00 H new ATOM 66 N LEU A 8 8.476 -10.186 -17.595 1.00 0.00 N ATOM 67 CA LEU A 8 8.093 -10.688 -16.280 1.00 0.00 C ATOM 68 C LEU A 8 8.494 -12.150 -16.117 1.00 0.00 C ATOM 69 O LEU A 8 9.432 -12.470 -15.387 1.00 0.00 O ATOM 70 CB LEU A 8 6.585 -10.535 -16.073 1.00 0.00 C ATOM 71 CG LEU A 8 6.118 -9.197 -15.498 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.733 -8.962 -14.127 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.470 -8.058 -16.445 1.00 0.00 C ATOM 0 H LEU A 8 7.692 -10.011 -18.224 1.00 0.00 H new ATOM 0 HA LEU A 8 8.618 -10.100 -15.527 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.090 -10.688 -17.032 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.247 -11.331 -15.409 1.00 0.00 H new ATOM 0 HG LEU A 8 5.034 -9.229 -15.387 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.390 -8.005 -13.733 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.431 -9.762 -13.451 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.820 -8.950 -14.213 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.130 -7.113 -16.020 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.550 -8.024 -16.588 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.982 -8.220 -17.406 1.00 0.00 H new ATOM 85 N GLY A 9 7.778 -13.036 -16.803 1.00 0.00 N ATOM 86 CA GLY A 9 8.076 -14.454 -16.722 1.00 0.00 C ATOM 87 C GLY A 9 6.965 -15.243 -16.058 1.00 0.00 C ATOM 88 O GLY A 9 5.787 -14.938 -16.235 1.00 0.00 O ATOM 0 H GLY A 9 6.997 -12.797 -17.414 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.245 -14.844 -17.726 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.002 -14.596 -16.164 1.00 0.00 H new ATOM 92 N ASN A 10 7.342 -16.261 -15.291 1.00 0.00 N ATOM 93 CA ASN A 10 6.368 -17.098 -14.600 1.00 0.00 C ATOM 94 C ASN A 10 5.248 -16.250 -14.004 1.00 0.00 C ATOM 95 O ASN A 10 4.091 -16.362 -14.406 1.00 0.00 O ATOM 96 CB ASN A 10 7.052 -17.908 -13.497 1.00 0.00 C ATOM 97 CG ASN A 10 8.302 -18.612 -13.988 1.00 0.00 C ATOM 98 OD1 ASN A 10 9.427 -17.907 -13.962 1.00 0.00 O flip ATOM 99 ND2 ASN A 10 8.256 -19.777 -14.384 1.00 0.00 N flip ATOM 0 H ASN A 10 8.314 -16.526 -15.132 1.00 0.00 H new ATOM 0 HA ASN A 10 5.933 -17.783 -15.328 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.312 -17.246 -12.671 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.352 -18.646 -13.105 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.369 -20.280 -14.386 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.105 -20.239 -14.710 1.00 0.00 H new ATOM 106 N GLU A 11 5.602 -15.402 -13.043 1.00 0.00 N ATOM 107 CA GLU A 11 4.627 -14.536 -12.392 1.00 0.00 C ATOM 108 C GLU A 11 4.702 -13.117 -12.949 1.00 0.00 C ATOM 109 O GLU A 11 5.787 -12.600 -13.213 1.00 0.00 O ATOM 110 CB GLU A 11 4.859 -14.515 -10.880 1.00 0.00 C ATOM 111 CG GLU A 11 6.228 -13.989 -10.481 1.00 0.00 C ATOM 112 CD GLU A 11 7.307 -15.051 -10.558 1.00 0.00 C ATOM 113 OE1 GLU A 11 7.232 -16.030 -9.786 1.00 0.00 O ATOM 114 OE2 GLU A 11 8.226 -14.903 -11.391 1.00 0.00 O ATOM 0 H GLU A 11 6.556 -15.297 -12.699 1.00 0.00 H new ATOM 0 HA GLU A 11 3.633 -14.935 -12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.092 -13.898 -10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.739 -15.525 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.496 -13.156 -11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.181 -13.598 -9.465 1.00 0.00 H new ATOM 121 N ASP A 12 3.541 -12.495 -13.124 1.00 0.00 N ATOM 122 CA ASP A 12 3.474 -11.136 -13.649 1.00 0.00 C ATOM 123 C ASP A 12 3.075 -10.150 -12.555 1.00 0.00 C ATOM 124 O ASP A 12 2.594 -10.547 -11.493 1.00 0.00 O ATOM 125 CB ASP A 12 2.478 -11.063 -14.807 1.00 0.00 C ATOM 126 CG ASP A 12 2.499 -12.310 -15.669 1.00 0.00 C ATOM 127 OD1 ASP A 12 3.585 -12.905 -15.823 1.00 0.00 O ATOM 128 OD2 ASP A 12 1.429 -12.690 -16.190 1.00 0.00 O ATOM 0 H ASP A 12 2.634 -12.910 -12.910 1.00 0.00 H new ATOM 0 HA ASP A 12 4.464 -10.864 -14.014 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.474 -10.917 -14.410 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.706 -10.194 -15.424 1.00 0.00 H new ATOM 133 N PHE A 13 3.279 -8.865 -12.822 1.00 0.00 N ATOM 134 CA PHE A 13 2.942 -7.822 -11.859 1.00 0.00 C ATOM 135 C PHE A 13 1.587 -8.094 -11.214 1.00 0.00 C ATOM 136 O PHE A 13 1.399 -7.865 -10.020 1.00 0.00 O ATOM 137 CB PHE A 13 2.929 -6.453 -12.543 1.00 0.00 C ATOM 138 CG PHE A 13 2.282 -5.377 -11.718 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.507 -5.303 -10.352 1.00 0.00 C ATOM 140 CD2 PHE A 13 1.448 -4.441 -12.307 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.913 -4.315 -9.590 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.852 -3.450 -11.550 1.00 0.00 C ATOM 143 CZ PHE A 13 1.084 -3.387 -10.190 1.00 0.00 C ATOM 0 H PHE A 13 3.676 -8.520 -13.696 1.00 0.00 H new ATOM 0 HA PHE A 13 3.702 -7.824 -11.078 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.954 -6.159 -12.770 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.403 -6.536 -13.494 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.154 -6.026 -9.878 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.261 -4.486 -13.370 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.097 -4.268 -8.527 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.205 -2.725 -12.022 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.618 -2.614 -9.597 1.00 0.00 H new ATOM 153 N ASN A 14 0.645 -8.584 -12.014 1.00 0.00 N ATOM 154 CA ASN A 14 -0.694 -8.886 -11.522 1.00 0.00 C ATOM 155 C ASN A 14 -0.673 -10.099 -10.598 1.00 0.00 C ATOM 156 O ASN A 14 -1.453 -10.183 -9.649 1.00 0.00 O ATOM 157 CB ASN A 14 -1.645 -9.140 -12.694 1.00 0.00 C ATOM 158 CG ASN A 14 -2.105 -7.855 -13.354 1.00 0.00 C ATOM 159 OD1 ASN A 14 -1.153 -7.055 -13.819 1.00 0.00 O flip ATOM 160 ND2 ASN A 14 -3.303 -7.586 -13.446 1.00 0.00 N flip ATOM 0 H ASN A 14 0.784 -8.780 -13.005 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.048 -8.025 -10.955 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.147 -9.767 -13.433 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.514 -9.695 -12.340 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.000 -8.231 -13.074 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.598 -6.718 -13.894 1.00 0.00 H new ATOM 167 N SER A 15 0.225 -11.037 -10.881 1.00 0.00 N ATOM 168 CA SER A 15 0.347 -12.248 -10.077 1.00 0.00 C ATOM 169 C SER A 15 0.985 -11.941 -8.726 1.00 0.00 C ATOM 170 O SER A 15 0.457 -12.312 -7.678 1.00 0.00 O ATOM 171 CB SER A 15 1.176 -13.297 -10.820 1.00 0.00 C ATOM 172 OG SER A 15 0.827 -14.608 -10.409 1.00 0.00 O ATOM 0 H SER A 15 0.879 -10.982 -11.662 1.00 0.00 H new ATOM 0 HA SER A 15 -0.654 -12.643 -9.904 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.019 -13.195 -11.894 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.236 -13.125 -10.635 1.00 0.00 H new ATOM 0 HG SER A 15 1.370 -15.260 -10.900 1.00 0.00 H new ATOM 178 N VAL A 16 2.126 -11.259 -8.759 1.00 0.00 N ATOM 179 CA VAL A 16 2.838 -10.901 -7.538 1.00 0.00 C ATOM 180 C VAL A 16 1.904 -10.239 -6.532 1.00 0.00 C ATOM 181 O VAL A 16 1.935 -10.553 -5.341 1.00 0.00 O ATOM 182 CB VAL A 16 4.014 -9.950 -7.833 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.569 -8.817 -8.744 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.596 -9.406 -6.537 1.00 0.00 C ATOM 0 H VAL A 16 2.577 -10.944 -9.618 1.00 0.00 H new ATOM 0 HA VAL A 16 3.226 -11.827 -7.114 1.00 0.00 H new ATOM 0 HB VAL A 16 4.793 -10.512 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.413 -8.156 -8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.203 -9.229 -9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.771 -8.253 -8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.426 -8.736 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.826 -8.859 -5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.954 -10.233 -5.924 1.00 0.00 H new ATOM 194 N ILE A 17 1.073 -9.322 -7.017 1.00 0.00 N ATOM 195 CA ILE A 17 0.128 -8.618 -6.160 1.00 0.00 C ATOM 196 C ILE A 17 -0.841 -9.589 -5.496 1.00 0.00 C ATOM 197 O ILE A 17 -0.997 -9.587 -4.275 1.00 0.00 O ATOM 198 CB ILE A 17 -0.675 -7.568 -6.951 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.248 -6.451 -7.441 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.794 -7.000 -6.092 1.00 0.00 C ATOM 201 CD1 ILE A 17 0.970 -5.730 -6.324 1.00 0.00 C ATOM 0 H ILE A 17 1.035 -9.050 -7.999 1.00 0.00 H new ATOM 0 HA ILE A 17 0.714 -8.112 -5.392 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.121 -8.052 -7.820 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.984 -6.873 -8.125 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.339 -5.729 -8.009 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.352 -6.260 -6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.464 -7.805 -5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.369 -6.528 -5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.606 -4.952 -6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.241 -5.278 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.584 -6.440 -5.770 1.00 0.00 H new ATOM 213 N GLN A 18 -1.489 -10.418 -6.307 1.00 0.00 N ATOM 214 CA GLN A 18 -2.443 -11.396 -5.797 1.00 0.00 C ATOM 215 C GLN A 18 -1.797 -12.288 -4.743 1.00 0.00 C ATOM 216 O GLN A 18 -2.432 -12.657 -3.755 1.00 0.00 O ATOM 217 CB GLN A 18 -2.990 -12.252 -6.941 1.00 0.00 C ATOM 218 CG GLN A 18 -4.025 -11.537 -7.795 1.00 0.00 C ATOM 219 CD GLN A 18 -5.295 -11.221 -7.030 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.890 -12.098 -6.403 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.717 -9.963 -7.076 1.00 0.00 N ATOM 0 H GLN A 18 -1.371 -10.432 -7.320 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.267 -10.854 -5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.162 -12.567 -7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.435 -13.156 -6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.597 -10.611 -8.179 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.270 -12.157 -8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.193 -9.268 -7.608 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.565 -9.691 -6.579 1.00 0.00 H new ATOM 230 N GLN A 19 -0.531 -12.631 -4.960 1.00 0.00 N ATOM 231 CA GLN A 19 0.200 -13.482 -4.029 1.00 0.00 C ATOM 232 C GLN A 19 0.442 -12.759 -2.707 1.00 0.00 C ATOM 233 O GLN A 19 0.446 -13.377 -1.643 1.00 0.00 O ATOM 234 CB GLN A 19 1.535 -13.913 -4.639 1.00 0.00 C ATOM 235 CG GLN A 19 1.397 -14.987 -5.707 1.00 0.00 C ATOM 236 CD GLN A 19 1.523 -16.389 -5.144 1.00 0.00 C ATOM 237 OE1 GLN A 19 2.610 -16.967 -5.125 1.00 0.00 O ATOM 238 NE2 GLN A 19 0.409 -16.944 -4.681 1.00 0.00 N ATOM 0 H GLN A 19 0.009 -12.333 -5.772 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.405 -14.368 -3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.025 -13.041 -5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.185 -14.282 -3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.430 -14.883 -6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.161 -14.836 -6.470 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.470 -16.429 -4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.433 -17.886 -4.290 1.00 0.00 H new ATOM 247 N MET A 20 0.644 -11.448 -2.784 1.00 0.00 N ATOM 248 CA MET A 20 0.886 -10.642 -1.593 1.00 0.00 C ATOM 249 C MET A 20 -0.427 -10.285 -0.903 1.00 0.00 C ATOM 250 O MET A 20 -0.472 -10.116 0.316 1.00 0.00 O ATOM 251 CB MET A 20 1.646 -9.366 -1.961 1.00 0.00 C ATOM 252 CG MET A 20 2.926 -9.624 -2.738 1.00 0.00 C ATOM 253 SD MET A 20 3.348 -8.270 -3.851 1.00 0.00 S ATOM 254 CE MET A 20 3.870 -7.019 -2.681 1.00 0.00 C ATOM 0 H MET A 20 0.645 -10.921 -3.658 1.00 0.00 H new ATOM 0 HA MET A 20 1.491 -11.230 -0.903 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.995 -8.723 -2.553 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.888 -8.821 -1.049 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.746 -9.782 -2.037 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.818 -10.543 -3.315 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.740 -6.493 -3.075 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.058 -6.309 -2.521 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.130 -7.492 -1.734 1.00 0.00 H new ATOM 264 N ALA A 21 -1.492 -10.171 -1.689 1.00 0.00 N ATOM 265 CA ALA A 21 -2.805 -9.835 -1.152 1.00 0.00 C ATOM 266 C ALA A 21 -3.409 -11.016 -0.399 1.00 0.00 C ATOM 267 O ALA A 21 -4.110 -10.836 0.596 1.00 0.00 O ATOM 268 CB ALA A 21 -3.735 -9.390 -2.272 1.00 0.00 C ATOM 0 H ALA A 21 -1.472 -10.306 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.682 -9.013 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.712 -9.142 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.317 -8.512 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.843 -10.196 -2.997 1.00 0.00 H new ATOM 274 N GLN A 22 -3.131 -12.223 -0.881 1.00 0.00 N ATOM 275 CA GLN A 22 -3.648 -13.433 -0.253 1.00 0.00 C ATOM 276 C GLN A 22 -5.172 -13.466 -0.307 1.00 0.00 C ATOM 277 O GLN A 22 -5.830 -13.827 0.668 1.00 0.00 O ATOM 278 CB GLN A 22 -3.175 -13.522 1.199 1.00 0.00 C ATOM 279 CG GLN A 22 -1.670 -13.377 1.359 1.00 0.00 C ATOM 280 CD GLN A 22 -0.936 -14.692 1.189 1.00 0.00 C ATOM 281 OE1 GLN A 22 -0.527 -15.319 2.166 1.00 0.00 O ATOM 282 NE2 GLN A 22 -0.766 -15.118 -0.057 1.00 0.00 N ATOM 0 H GLN A 22 -2.551 -12.389 -1.704 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.265 -14.291 -0.805 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.670 -12.746 1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.486 -14.480 1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.298 -12.660 0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.451 -12.968 2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.122 -14.566 -0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.280 -15.997 -0.234 1.00 0.00 H new ATOM 291 N GLY A 23 -5.727 -13.085 -1.453 1.00 0.00 N ATOM 292 CA GLY A 23 -7.170 -13.078 -1.613 1.00 0.00 C ATOM 293 C GLY A 23 -7.799 -11.786 -1.131 1.00 0.00 C ATOM 294 O GLY A 23 -8.886 -11.414 -1.574 1.00 0.00 O ATOM 0 H GLY A 23 -5.203 -12.781 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.417 -13.229 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.598 -13.915 -1.061 1.00 0.00 H new ATOM 298 N ARG A 24 -7.117 -11.101 -0.219 1.00 0.00 N ATOM 299 CA ARG A 24 -7.617 -9.844 0.325 1.00 0.00 C ATOM 300 C ARG A 24 -8.084 -8.915 -0.792 1.00 0.00 C ATOM 301 O ARG A 24 -7.530 -8.923 -1.890 1.00 0.00 O ATOM 302 CB ARG A 24 -6.533 -9.156 1.156 1.00 0.00 C ATOM 303 CG ARG A 24 -6.239 -9.854 2.473 1.00 0.00 C ATOM 304 CD ARG A 24 -5.102 -9.177 3.222 1.00 0.00 C ATOM 305 NE ARG A 24 -3.798 -9.703 2.827 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.661 -9.032 2.969 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.667 -7.814 3.494 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.514 -9.578 2.586 1.00 0.00 N ATOM 0 H ARG A 24 -6.216 -11.395 0.159 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.469 -10.069 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.616 -9.104 0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.840 -8.130 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.135 -9.854 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.982 -10.896 2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.132 -8.104 3.034 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.240 -9.317 4.294 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.759 -10.637 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.546 -7.390 3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.792 -7.301 3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.505 -10.514 2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.641 -9.061 2.696 1.00 0.00 H new ATOM 322 N GLN A 25 -9.107 -8.117 -0.502 1.00 0.00 N ATOM 323 CA GLN A 25 -9.649 -7.184 -1.482 1.00 0.00 C ATOM 324 C GLN A 25 -8.679 -6.034 -1.733 1.00 0.00 C ATOM 325 O GLN A 25 -8.409 -5.231 -0.839 1.00 0.00 O ATOM 326 CB GLN A 25 -10.996 -6.637 -1.007 1.00 0.00 C ATOM 327 CG GLN A 25 -11.554 -5.538 -1.897 1.00 0.00 C ATOM 328 CD GLN A 25 -12.882 -5.003 -1.399 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.319 -5.323 -0.294 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.533 -4.181 -2.215 1.00 0.00 N ATOM 0 H GLN A 25 -9.577 -8.098 0.403 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.794 -7.723 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.715 -7.455 -0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.885 -6.251 0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.835 -4.721 -1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.678 -5.923 -2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.134 -3.942 -3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.432 -3.789 -1.934 1.00 0.00 H new ATOM 339 N ILE A 26 -8.158 -5.961 -2.953 1.00 0.00 N ATOM 340 CA ILE A 26 -7.218 -4.908 -3.320 1.00 0.00 C ATOM 341 C ILE A 26 -7.952 -3.646 -3.761 1.00 0.00 C ATOM 342 O ILE A 26 -8.992 -3.718 -4.416 1.00 0.00 O ATOM 343 CB ILE A 26 -6.277 -5.363 -4.451 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.596 -6.681 -4.077 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.240 -4.288 -4.741 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.895 -7.350 -5.239 1.00 0.00 C ATOM 0 H ILE A 26 -8.370 -6.618 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.626 -4.689 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.867 -5.524 -5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.871 -6.494 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.342 -7.364 -3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.582 -4.624 -5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.743 -3.370 -5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.651 -4.099 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.435 -8.278 -4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.619 -7.569 -6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.125 -6.685 -5.631 1.00 0.00 H new ATOM 358 N GLU A 27 -7.402 -2.491 -3.400 1.00 0.00 N ATOM 359 CA GLU A 27 -8.004 -1.213 -3.761 1.00 0.00 C ATOM 360 C GLU A 27 -6.941 -0.222 -4.226 1.00 0.00 C ATOM 361 O GLU A 27 -5.920 -0.034 -3.563 1.00 0.00 O ATOM 362 CB GLU A 27 -8.772 -0.632 -2.571 1.00 0.00 C ATOM 363 CG GLU A 27 -10.199 -1.143 -2.461 1.00 0.00 C ATOM 364 CD GLU A 27 -10.993 -0.936 -3.736 1.00 0.00 C ATOM 365 OE1 GLU A 27 -11.456 0.200 -3.969 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.151 -1.910 -4.501 1.00 0.00 O ATOM 0 H GLU A 27 -6.541 -2.414 -2.858 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.698 -1.387 -4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.237 -0.872 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.789 0.455 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.183 -2.205 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.701 -0.634 -1.638 1.00 0.00 H new ATOM 373 N TYR A 28 -7.187 0.407 -5.369 1.00 0.00 N ATOM 374 CA TYR A 28 -6.250 1.376 -5.926 1.00 0.00 C ATOM 375 C TYR A 28 -6.462 2.755 -5.309 1.00 0.00 C ATOM 376 O TYR A 28 -7.420 3.455 -5.640 1.00 0.00 O ATOM 377 CB TYR A 28 -6.409 1.455 -7.445 1.00 0.00 C ATOM 378 CG TYR A 28 -6.686 0.119 -8.096 1.00 0.00 C ATOM 379 CD1 TYR A 28 -5.647 -0.726 -8.463 1.00 0.00 C ATOM 380 CD2 TYR A 28 -7.988 -0.298 -8.345 1.00 0.00 C ATOM 381 CE1 TYR A 28 -5.895 -1.948 -9.058 1.00 0.00 C ATOM 382 CE2 TYR A 28 -8.246 -1.518 -8.938 1.00 0.00 C ATOM 383 CZ TYR A 28 -7.197 -2.340 -9.293 1.00 0.00 C ATOM 384 OH TYR A 28 -7.450 -3.556 -9.885 1.00 0.00 O ATOM 0 H TYR A 28 -8.028 0.264 -5.929 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.239 1.044 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.223 2.140 -7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.501 1.878 -7.875 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.627 -0.423 -8.280 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.812 0.343 -8.070 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.075 -2.593 -9.338 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.264 -1.827 -9.123 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.418 -3.680 -9.978 1.00 0.00 H new ATOM 394 N ILE A 29 -5.562 3.138 -4.410 1.00 0.00 N ATOM 395 CA ILE A 29 -5.648 4.434 -3.747 1.00 0.00 C ATOM 396 C ILE A 29 -4.935 5.513 -4.555 1.00 0.00 C ATOM 397 O ILE A 29 -3.721 5.457 -4.751 1.00 0.00 O ATOM 398 CB ILE A 29 -5.042 4.383 -2.332 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.373 3.050 -1.659 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.552 5.547 -1.496 1.00 0.00 C ATOM 401 CD1 ILE A 29 -6.827 2.918 -1.264 1.00 0.00 C ATOM 0 H ILE A 29 -4.765 2.570 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.707 4.681 -3.671 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.958 4.467 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.113 2.236 -2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.752 2.936 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.115 5.498 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.269 6.487 -1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.638 5.492 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.989 1.949 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.087 3.711 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.454 2.999 -2.152 1.00 0.00 H new ATOM 413 N ASP A 30 -5.699 6.496 -5.021 1.00 0.00 N ATOM 414 CA ASP A 30 -5.140 7.591 -5.805 1.00 0.00 C ATOM 415 C ASP A 30 -4.913 8.823 -4.935 1.00 0.00 C ATOM 416 O ASP A 30 -5.861 9.405 -4.406 1.00 0.00 O ATOM 417 CB ASP A 30 -6.070 7.938 -6.969 1.00 0.00 C ATOM 418 CG ASP A 30 -5.832 9.337 -7.503 1.00 0.00 C ATOM 419 OD1 ASP A 30 -4.782 9.558 -8.140 1.00 0.00 O ATOM 420 OD2 ASP A 30 -6.697 10.212 -7.282 1.00 0.00 O ATOM 0 H ASP A 30 -6.706 6.556 -4.869 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.178 7.267 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.926 7.216 -7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.106 7.848 -6.642 1.00 0.00 H new ATOM 425 N ILE A 31 -3.652 9.214 -4.789 1.00 0.00 N ATOM 426 CA ILE A 31 -3.301 10.376 -3.983 1.00 0.00 C ATOM 427 C ILE A 31 -2.604 11.440 -4.824 1.00 0.00 C ATOM 428 O ILE A 31 -1.680 11.139 -5.579 1.00 0.00 O ATOM 429 CB ILE A 31 -2.387 9.989 -2.805 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.131 9.069 -1.835 1.00 0.00 C ATOM 431 CG2 ILE A 31 -1.893 11.236 -2.086 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.223 8.376 -0.843 1.00 0.00 C ATOM 0 H ILE A 31 -2.856 8.743 -5.219 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.234 10.781 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.523 9.452 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.873 9.653 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.674 8.316 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.248 10.946 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.331 11.859 -2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.746 11.798 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.818 7.740 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.497 7.765 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.699 9.123 -0.246 1.00 0.00 H new ATOM 444 N GLU A 32 -3.053 12.683 -4.687 1.00 0.00 N ATOM 445 CA GLU A 32 -2.470 13.791 -5.435 1.00 0.00 C ATOM 446 C GLU A 32 -1.317 14.424 -4.661 1.00 0.00 C ATOM 447 O GLU A 32 -1.532 15.153 -3.692 1.00 0.00 O ATOM 448 CB GLU A 32 -3.535 14.847 -5.738 1.00 0.00 C ATOM 449 CG GLU A 32 -2.960 16.199 -6.125 1.00 0.00 C ATOM 450 CD GLU A 32 -3.874 16.979 -7.051 1.00 0.00 C ATOM 451 OE1 GLU A 32 -4.579 16.342 -7.862 1.00 0.00 O ATOM 452 OE2 GLU A 32 -3.883 18.224 -6.965 1.00 0.00 O ATOM 0 H GLU A 32 -3.817 12.948 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.081 13.397 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.171 14.487 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.172 14.970 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.778 16.784 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.995 16.054 -6.611 1.00 0.00 H new ATOM 459 N ARG A 33 -0.094 14.139 -5.096 1.00 0.00 N ATOM 460 CA ARG A 33 1.093 14.678 -4.443 1.00 0.00 C ATOM 461 C ARG A 33 1.113 16.201 -4.522 1.00 0.00 C ATOM 462 O ARG A 33 1.127 16.791 -5.603 1.00 0.00 O ATOM 463 CB ARG A 33 2.358 14.107 -5.086 1.00 0.00 C ATOM 464 CG ARG A 33 2.831 12.808 -4.453 1.00 0.00 C ATOM 465 CD ARG A 33 3.798 13.067 -3.308 1.00 0.00 C ATOM 466 NE ARG A 33 4.971 13.821 -3.742 1.00 0.00 N ATOM 467 CZ ARG A 33 6.073 13.950 -3.011 1.00 0.00 C ATOM 468 NH1 ARG A 33 6.151 13.379 -1.817 1.00 0.00 N ATOM 469 NH2 ARG A 33 7.099 14.652 -3.474 1.00 0.00 N ATOM 0 H ARG A 33 0.101 13.538 -5.897 1.00 0.00 H new ATOM 0 HA ARG A 33 1.063 14.386 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.171 13.938 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.156 14.846 -5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.972 12.247 -4.085 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.316 12.189 -5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.286 13.616 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.116 12.116 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 33 4.943 14.273 -4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.364 12.839 -1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.998 13.480 -1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.042 15.093 -4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.945 14.751 -2.912 1.00 0.00 H new ATOM 483 N PRO A 34 1.114 16.855 -3.351 1.00 0.00 N ATOM 484 CA PRO A 34 1.131 18.318 -3.261 1.00 0.00 C ATOM 485 C PRO A 34 2.465 18.910 -3.703 1.00 0.00 C ATOM 486 O PRO A 34 3.423 18.181 -3.961 1.00 0.00 O ATOM 487 CB PRO A 34 0.896 18.584 -1.772 1.00 0.00 C ATOM 488 CG PRO A 34 1.383 17.355 -1.085 1.00 0.00 C ATOM 489 CD PRO A 34 1.098 16.216 -2.024 1.00 0.00 C ATOM 0 HA PRO A 34 0.387 18.775 -3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.441 19.467 -1.437 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.159 18.762 -1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.449 17.425 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.873 17.212 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.852 15.433 -1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.134 15.753 -1.813 1.00 0.00 H new ATOM 497 N SER A 35 2.520 20.235 -3.789 1.00 0.00 N ATOM 498 CA SER A 35 3.736 20.925 -4.204 1.00 0.00 C ATOM 499 C SER A 35 4.971 20.249 -3.616 1.00 0.00 C ATOM 500 O SER A 35 5.967 20.037 -4.308 1.00 0.00 O ATOM 501 CB SER A 35 3.688 22.392 -3.772 1.00 0.00 C ATOM 502 OG SER A 35 4.960 23.003 -3.903 1.00 0.00 O ATOM 0 H SER A 35 1.736 20.853 -3.577 1.00 0.00 H new ATOM 0 HA SER A 35 3.800 20.876 -5.291 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.959 22.929 -4.378 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.354 22.459 -2.737 1.00 0.00 H new ATOM 0 HG SER A 35 4.903 23.940 -3.622 1.00 0.00 H new ATOM 508 N THR A 36 4.899 19.913 -2.332 1.00 0.00 N ATOM 509 CA THR A 36 6.010 19.263 -1.648 1.00 0.00 C ATOM 510 C THR A 36 5.617 17.874 -1.157 1.00 0.00 C ATOM 511 O THR A 36 4.554 17.360 -1.504 1.00 0.00 O ATOM 512 CB THR A 36 6.500 20.099 -0.451 1.00 0.00 C ATOM 513 OG1 THR A 36 5.493 20.132 0.567 1.00 0.00 O ATOM 514 CG2 THR A 36 6.838 21.517 -0.883 1.00 0.00 C ATOM 0 H THR A 36 4.082 20.080 -1.744 1.00 0.00 H new ATOM 0 HA THR A 36 6.818 19.173 -2.374 1.00 0.00 H new ATOM 0 HB THR A 36 7.402 19.633 -0.055 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.812 20.664 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.182 22.088 -0.020 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.625 21.490 -1.637 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.950 21.991 -1.302 1.00 0.00 H new ATOM 522 N GLY A 37 6.481 17.271 -0.346 1.00 0.00 N ATOM 523 CA GLY A 37 6.205 15.948 0.181 1.00 0.00 C ATOM 524 C GLY A 37 5.337 15.987 1.423 1.00 0.00 C ATOM 525 O GLY A 37 5.844 16.061 2.541 1.00 0.00 O ATOM 0 H GLY A 37 7.367 17.676 -0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.710 15.351 -0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.146 15.450 0.415 1.00 0.00 H new ATOM 529 N GLY A 38 4.022 15.938 1.227 1.00 0.00 N ATOM 530 CA GLY A 38 3.103 15.972 2.349 1.00 0.00 C ATOM 531 C GLY A 38 1.938 15.019 2.173 1.00 0.00 C ATOM 532 O GLY A 38 0.790 15.372 2.446 1.00 0.00 O ATOM 0 H GLY A 38 3.578 15.875 0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.641 15.719 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.723 16.986 2.473 1.00 0.00 H new ATOM 536 N LEU A 39 2.231 13.807 1.714 1.00 0.00 N ATOM 537 CA LEU A 39 1.198 12.799 1.500 1.00 0.00 C ATOM 538 C LEU A 39 0.136 12.867 2.592 1.00 0.00 C ATOM 539 O LEU A 39 -1.053 12.696 2.327 1.00 0.00 O ATOM 540 CB LEU A 39 1.820 11.402 1.464 1.00 0.00 C ATOM 541 CG LEU A 39 3.261 11.322 0.957 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.718 9.874 0.876 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.387 11.999 -0.400 1.00 0.00 C ATOM 0 H LEU A 39 3.175 13.498 1.483 1.00 0.00 H new ATOM 0 HA LEU A 39 0.720 13.002 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.786 10.985 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.198 10.765 0.834 1.00 0.00 H new ATOM 0 HG LEU A 39 3.904 11.846 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.745 9.836 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.666 9.420 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.071 9.326 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.419 11.933 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.732 11.503 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.101 13.047 -0.312 1.00 0.00 H new ATOM 555 N GLY A 40 0.574 13.120 3.822 1.00 0.00 N ATOM 556 CA GLY A 40 -0.352 13.209 4.936 1.00 0.00 C ATOM 557 C GLY A 40 -0.586 11.868 5.603 1.00 0.00 C ATOM 558 O GLY A 40 -1.499 11.722 6.416 1.00 0.00 O ATOM 0 H GLY A 40 1.554 13.265 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.035 13.914 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.303 13.607 4.583 1.00 0.00 H new ATOM 562 N PHE A 41 0.240 10.885 5.259 1.00 0.00 N ATOM 563 CA PHE A 41 0.117 9.548 5.828 1.00 0.00 C ATOM 564 C PHE A 41 1.482 8.876 5.938 1.00 0.00 C ATOM 565 O PHE A 41 2.239 8.824 4.969 1.00 0.00 O ATOM 566 CB PHE A 41 -0.820 8.691 4.974 1.00 0.00 C ATOM 567 CG PHE A 41 -0.146 8.074 3.781 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.680 6.971 3.929 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.339 8.597 2.513 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.301 6.402 2.834 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.280 8.032 1.413 1.00 0.00 C ATOM 572 CZ PHE A 41 1.100 6.932 1.574 1.00 0.00 C ATOM 0 H PHE A 41 1.002 10.989 4.589 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.302 9.644 6.830 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.241 7.899 5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.653 9.306 4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.840 6.552 4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.980 9.456 2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.943 5.543 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.123 8.450 0.430 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.583 6.487 0.717 1.00 0.00 H new ATOM 582 N SER A 42 1.789 8.363 7.125 1.00 0.00 N ATOM 583 CA SER A 42 3.064 7.698 7.364 1.00 0.00 C ATOM 584 C SER A 42 2.970 6.210 7.041 1.00 0.00 C ATOM 585 O SER A 42 1.896 5.699 6.722 1.00 0.00 O ATOM 586 CB SER A 42 3.499 7.889 8.818 1.00 0.00 C ATOM 587 OG SER A 42 4.250 9.081 8.973 1.00 0.00 O ATOM 0 H SER A 42 1.172 8.395 7.936 1.00 0.00 H new ATOM 0 HA SER A 42 3.808 8.148 6.707 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.620 7.923 9.462 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.096 7.035 9.137 1.00 0.00 H new ATOM 0 HG SER A 42 4.515 9.181 9.911 1.00 0.00 H new ATOM 593 N VAL A 43 4.102 5.519 7.126 1.00 0.00 N ATOM 594 CA VAL A 43 4.148 4.089 6.844 1.00 0.00 C ATOM 595 C VAL A 43 5.099 3.372 7.796 1.00 0.00 C ATOM 596 O VAL A 43 6.113 3.930 8.216 1.00 0.00 O ATOM 597 CB VAL A 43 4.589 3.817 5.394 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.480 4.185 4.420 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.866 4.580 5.073 1.00 0.00 C ATOM 0 H VAL A 43 5.000 5.926 7.388 1.00 0.00 H new ATOM 0 HA VAL A 43 3.138 3.705 6.987 1.00 0.00 H new ATOM 0 HB VAL A 43 4.793 2.751 5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.810 3.986 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.593 3.590 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.241 5.243 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.163 4.376 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.692 5.649 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.659 4.262 5.749 1.00 0.00 H new ATOM 609 N VAL A 44 4.765 2.131 8.133 1.00 0.00 N ATOM 610 CA VAL A 44 5.590 1.335 9.035 1.00 0.00 C ATOM 611 C VAL A 44 6.185 0.130 8.316 1.00 0.00 C ATOM 612 O VAL A 44 5.563 -0.441 7.421 1.00 0.00 O ATOM 613 CB VAL A 44 4.781 0.846 10.251 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.516 1.994 11.214 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.477 0.206 9.800 1.00 0.00 C ATOM 0 H VAL A 44 3.929 1.654 7.795 1.00 0.00 H new ATOM 0 HA VAL A 44 6.396 1.982 9.381 1.00 0.00 H new ATOM 0 HB VAL A 44 5.367 0.092 10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.943 1.629 12.067 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.464 2.403 11.562 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.950 2.774 10.704 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.918 -0.134 10.672 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.884 0.937 9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.694 -0.645 9.154 1.00 0.00 H new ATOM 625 N ALA A 45 7.394 -0.252 8.714 1.00 0.00 N ATOM 626 CA ALA A 45 8.073 -1.391 8.109 1.00 0.00 C ATOM 627 C ALA A 45 8.007 -2.615 9.017 1.00 0.00 C ATOM 628 O ALA A 45 8.376 -2.550 10.191 1.00 0.00 O ATOM 629 CB ALA A 45 9.520 -1.039 7.798 1.00 0.00 C ATOM 0 H ALA A 45 7.923 0.211 9.453 1.00 0.00 H new ATOM 0 HA ALA A 45 7.562 -1.634 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.015 -1.899 7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.549 -0.198 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.034 -0.767 8.720 1.00 0.00 H new ATOM 635 N LEU A 46 7.536 -3.729 8.468 1.00 0.00 N ATOM 636 CA LEU A 46 7.421 -4.968 9.230 1.00 0.00 C ATOM 637 C LEU A 46 7.813 -6.169 8.376 1.00 0.00 C ATOM 638 O LEU A 46 7.080 -6.565 7.470 1.00 0.00 O ATOM 639 CB LEU A 46 5.992 -5.141 9.748 1.00 0.00 C ATOM 640 CG LEU A 46 5.417 -3.963 10.535 1.00 0.00 C ATOM 641 CD1 LEU A 46 3.898 -3.954 10.449 1.00 0.00 C ATOM 642 CD2 LEU A 46 5.870 -4.019 11.987 1.00 0.00 C ATOM 0 H LEU A 46 7.228 -3.800 7.498 1.00 0.00 H new ATOM 0 HA LEU A 46 8.103 -4.909 10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.340 -5.337 8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.962 -6.026 10.383 1.00 0.00 H new ATOM 0 HG LEU A 46 5.791 -3.039 10.094 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.507 -3.109 11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.593 -3.865 9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.505 -4.882 10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.451 -3.173 12.532 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.526 -4.949 12.440 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.958 -3.976 12.031 1.00 0.00 H new ATOM 654 N ARG A 47 8.973 -6.746 8.673 1.00 0.00 N ATOM 655 CA ARG A 47 9.462 -7.904 7.934 1.00 0.00 C ATOM 656 C ARG A 47 8.392 -8.988 7.852 1.00 0.00 C ATOM 657 O ARG A 47 7.895 -9.463 8.873 1.00 0.00 O ATOM 658 CB ARG A 47 10.722 -8.464 8.597 1.00 0.00 C ATOM 659 CG ARG A 47 11.678 -9.132 7.622 1.00 0.00 C ATOM 660 CD ARG A 47 11.141 -10.473 7.146 1.00 0.00 C ATOM 661 NE ARG A 47 11.397 -11.539 8.111 1.00 0.00 N ATOM 662 CZ ARG A 47 12.614 -11.966 8.430 1.00 0.00 C ATOM 663 NH1 ARG A 47 13.681 -11.420 7.862 1.00 0.00 N ATOM 664 NH2 ARG A 47 12.765 -12.940 9.317 1.00 0.00 N ATOM 0 H ARG A 47 9.592 -6.430 9.420 1.00 0.00 H new ATOM 0 HA ARG A 47 9.706 -7.581 6.922 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.244 -7.655 9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.431 -9.186 9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.840 -8.479 6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.646 -9.276 8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.068 -10.392 6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.601 -10.730 6.192 1.00 0.00 H new ATOM 0 HE ARG A 47 10.597 -11.980 8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.568 -10.671 7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.614 -11.749 8.108 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.946 -13.362 9.755 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.700 -13.267 9.561 1.00 0.00 H new ATOM 678 N SER A 48 8.042 -9.375 6.629 1.00 0.00 N ATOM 679 CA SER A 48 7.027 -10.400 6.413 1.00 0.00 C ATOM 680 C SER A 48 7.589 -11.789 6.701 1.00 0.00 C ATOM 681 O SER A 48 8.757 -12.066 6.432 1.00 0.00 O ATOM 682 CB SER A 48 6.506 -10.337 4.976 1.00 0.00 C ATOM 683 OG SER A 48 5.228 -10.940 4.870 1.00 0.00 O ATOM 0 H SER A 48 8.446 -8.994 5.773 1.00 0.00 H new ATOM 0 HA SER A 48 6.202 -10.210 7.100 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.449 -9.298 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.206 -10.841 4.310 1.00 0.00 H new ATOM 0 HG SER A 48 4.540 -10.300 5.149 1.00 0.00 H new ATOM 689 N GLN A 49 6.747 -12.658 7.252 1.00 0.00 N ATOM 690 CA GLN A 49 7.159 -14.018 7.578 1.00 0.00 C ATOM 691 C GLN A 49 7.435 -14.822 6.311 1.00 0.00 C ATOM 692 O GLN A 49 8.366 -15.625 6.265 1.00 0.00 O ATOM 693 CB GLN A 49 6.082 -14.714 8.413 1.00 0.00 C ATOM 694 CG GLN A 49 6.137 -14.362 9.891 1.00 0.00 C ATOM 695 CD GLN A 49 5.360 -15.338 10.752 1.00 0.00 C ATOM 696 OE1 GLN A 49 4.694 -16.239 10.243 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.441 -15.163 12.066 1.00 0.00 N ATOM 0 H GLN A 49 5.776 -12.444 7.482 1.00 0.00 H new ATOM 0 HA GLN A 49 8.080 -13.962 8.159 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.101 -14.447 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.188 -15.793 8.301 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.177 -14.343 10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.739 -13.358 10.037 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.005 -14.403 12.445 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.939 -15.789 12.696 1.00 0.00 H new ATOM 706 N ASN A 50 6.618 -14.600 5.286 1.00 0.00 N ATOM 707 CA ASN A 50 6.774 -15.305 4.019 1.00 0.00 C ATOM 708 C ASN A 50 8.247 -15.564 3.718 1.00 0.00 C ATOM 709 O ASN A 50 8.707 -16.707 3.749 1.00 0.00 O ATOM 710 CB ASN A 50 6.144 -14.498 2.882 1.00 0.00 C ATOM 711 CG ASN A 50 4.645 -14.704 2.788 1.00 0.00 C ATOM 712 OD1 ASN A 50 4.107 -15.679 3.312 1.00 0.00 O ATOM 713 ND2 ASN A 50 3.962 -13.783 2.117 1.00 0.00 N ATOM 0 H ASN A 50 5.842 -13.938 5.308 1.00 0.00 H new ATOM 0 HA ASN A 50 6.264 -16.265 4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.354 -13.439 3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.607 -14.784 1.938 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.950 -13.868 2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.449 -12.991 1.699 1.00 0.00 H new ATOM 720 N LEU A 51 8.983 -14.497 3.428 1.00 0.00 N ATOM 721 CA LEU A 51 10.405 -14.608 3.123 1.00 0.00 C ATOM 722 C LEU A 51 11.066 -13.234 3.101 1.00 0.00 C ATOM 723 O LEU A 51 10.418 -12.218 3.346 1.00 0.00 O ATOM 724 CB LEU A 51 10.604 -15.304 1.775 1.00 0.00 C ATOM 725 CG LEU A 51 10.317 -14.458 0.534 1.00 0.00 C ATOM 726 CD1 LEU A 51 9.122 -13.549 0.773 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.542 -13.642 0.149 1.00 0.00 C ATOM 0 H LEU A 51 8.619 -13.545 3.398 1.00 0.00 H new ATOM 0 HA LEU A 51 10.874 -15.204 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.634 -15.657 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.963 -16.185 1.746 1.00 0.00 H new ATOM 0 HG LEU A 51 10.078 -15.128 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.933 -12.954 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.244 -14.154 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.331 -12.886 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.319 -13.046 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.812 -12.981 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.374 -14.313 -0.066 1.00 0.00 H new ATOM 739 N GLY A 52 12.362 -13.211 2.803 1.00 0.00 N ATOM 740 CA GLY A 52 13.089 -11.956 2.752 1.00 0.00 C ATOM 741 C GLY A 52 12.282 -10.844 2.111 1.00 0.00 C ATOM 742 O GLY A 52 12.320 -10.661 0.894 1.00 0.00 O ATOM 0 H GLY A 52 12.921 -14.039 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.369 -11.661 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.014 -12.098 2.193 1.00 0.00 H new ATOM 746 N LYS A 53 11.549 -10.099 2.932 1.00 0.00 N ATOM 747 CA LYS A 53 10.728 -8.999 2.439 1.00 0.00 C ATOM 748 C LYS A 53 10.124 -8.211 3.597 1.00 0.00 C ATOM 749 O LYS A 53 10.101 -8.679 4.735 1.00 0.00 O ATOM 750 CB LYS A 53 9.615 -9.531 1.534 1.00 0.00 C ATOM 751 CG LYS A 53 8.394 -10.019 2.295 1.00 0.00 C ATOM 752 CD LYS A 53 7.229 -10.298 1.360 1.00 0.00 C ATOM 753 CE LYS A 53 6.507 -9.017 0.971 1.00 0.00 C ATOM 754 NZ LYS A 53 5.248 -9.294 0.225 1.00 0.00 N ATOM 0 H LYS A 53 11.507 -10.237 3.942 1.00 0.00 H new ATOM 0 HA LYS A 53 11.368 -8.331 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.312 -8.744 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.008 -10.350 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.645 -10.926 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.100 -9.271 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.593 -10.798 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.529 -10.979 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.278 -8.442 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.165 -8.401 0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.686 -8.421 0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.478 -9.635 -0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.699 -10.020 0.728 1.00 0.00 H new ATOM 768 N VAL A 54 9.634 -7.012 3.298 1.00 0.00 N ATOM 769 CA VAL A 54 9.026 -6.160 4.314 1.00 0.00 C ATOM 770 C VAL A 54 7.591 -5.802 3.944 1.00 0.00 C ATOM 771 O VAL A 54 7.249 -5.703 2.766 1.00 0.00 O ATOM 772 CB VAL A 54 9.832 -4.862 4.513 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.283 -4.068 5.688 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.307 -5.177 4.713 1.00 0.00 C ATOM 0 H VAL A 54 9.646 -6.609 2.361 1.00 0.00 H new ATOM 0 HA VAL A 54 9.028 -6.727 5.245 1.00 0.00 H new ATOM 0 HB VAL A 54 9.733 -4.251 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.865 -3.155 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.241 -3.811 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.350 -4.668 6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.862 -4.249 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.428 -5.808 5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.689 -5.700 3.837 1.00 0.00 H new ATOM 784 N ASP A 55 6.756 -5.609 4.959 1.00 0.00 N ATOM 785 CA ASP A 55 5.356 -5.260 4.742 1.00 0.00 C ATOM 786 C ASP A 55 5.091 -3.810 5.132 1.00 0.00 C ATOM 787 O ASP A 55 5.125 -3.458 6.312 1.00 0.00 O ATOM 788 CB ASP A 55 4.446 -6.192 5.543 1.00 0.00 C ATOM 789 CG ASP A 55 4.446 -7.608 5.001 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.512 -7.771 3.765 1.00 0.00 O ATOM 791 OD2 ASP A 55 4.381 -8.554 5.814 1.00 0.00 O ATOM 0 H ASP A 55 7.024 -5.688 5.940 1.00 0.00 H new ATOM 0 HA ASP A 55 5.138 -5.377 3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.769 -6.205 6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.429 -5.801 5.530 1.00 0.00 H new ATOM 796 N ILE A 56 4.828 -2.972 4.134 1.00 0.00 N ATOM 797 CA ILE A 56 4.557 -1.560 4.374 1.00 0.00 C ATOM 798 C ILE A 56 3.069 -1.318 4.608 1.00 0.00 C ATOM 799 O ILE A 56 2.235 -1.659 3.770 1.00 0.00 O ATOM 800 CB ILE A 56 5.028 -0.689 3.195 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.399 -1.157 2.703 1.00 0.00 C ATOM 802 CG2 ILE A 56 5.079 0.775 3.606 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.506 -0.957 3.715 1.00 0.00 C ATOM 0 H ILE A 56 4.797 -3.247 3.152 1.00 0.00 H new ATOM 0 HA ILE A 56 5.113 -1.279 5.268 1.00 0.00 H new ATOM 0 HB ILE A 56 4.314 -0.793 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.341 -2.214 2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.651 -0.618 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.414 1.378 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.086 1.101 3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.774 0.896 4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.449 -1.311 3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.591 0.103 3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.277 -1.518 4.621 1.00 0.00 H new ATOM 815 N PHE A 57 2.745 -0.725 5.752 1.00 0.00 N ATOM 816 CA PHE A 57 1.358 -0.436 6.096 1.00 0.00 C ATOM 817 C PHE A 57 1.146 1.063 6.288 1.00 0.00 C ATOM 818 O PHE A 57 2.097 1.812 6.511 1.00 0.00 O ATOM 819 CB PHE A 57 0.959 -1.186 7.369 1.00 0.00 C ATOM 820 CG PHE A 57 1.084 -2.678 7.250 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.301 -3.303 7.464 1.00 0.00 C ATOM 822 CD2 PHE A 57 -0.016 -3.454 6.924 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.420 -4.676 7.355 1.00 0.00 C ATOM 824 CE2 PHE A 57 0.096 -4.828 6.815 1.00 0.00 C ATOM 825 CZ PHE A 57 1.316 -5.439 7.030 1.00 0.00 C ATOM 0 H PHE A 57 3.424 -0.435 6.456 1.00 0.00 H new ATOM 0 HA PHE A 57 0.728 -0.772 5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.582 -0.842 8.194 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.071 -0.935 7.621 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.167 -2.711 7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.972 -2.981 6.753 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.375 -5.151 7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.769 -5.423 6.562 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.406 -6.512 6.944 1.00 0.00 H new ATOM 835 N VAL A 58 -0.108 1.494 6.199 1.00 0.00 N ATOM 836 CA VAL A 58 -0.446 2.903 6.362 1.00 0.00 C ATOM 837 C VAL A 58 -0.760 3.227 7.819 1.00 0.00 C ATOM 838 O VAL A 58 -1.730 2.721 8.384 1.00 0.00 O ATOM 839 CB VAL A 58 -1.652 3.296 5.489 1.00 0.00 C ATOM 840 CG1 VAL A 58 -2.012 4.758 5.702 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.360 3.018 4.022 1.00 0.00 C ATOM 0 H VAL A 58 -0.907 0.887 6.015 1.00 0.00 H new ATOM 0 HA VAL A 58 0.425 3.476 6.044 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.507 2.690 5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.866 5.017 5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.266 4.921 6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.162 5.385 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.223 3.301 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.492 3.597 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.156 1.956 3.887 1.00 0.00 H new ATOM 851 N LYS A 59 0.067 4.074 8.422 1.00 0.00 N ATOM 852 CA LYS A 59 -0.122 4.469 9.813 1.00 0.00 C ATOM 853 C LYS A 59 -0.155 5.988 9.948 1.00 0.00 C ATOM 854 O LYS A 59 0.432 6.705 9.137 1.00 0.00 O ATOM 855 CB LYS A 59 0.996 3.892 10.684 1.00 0.00 C ATOM 856 CG LYS A 59 1.117 2.381 10.598 1.00 0.00 C ATOM 857 CD LYS A 59 0.240 1.691 11.630 1.00 0.00 C ATOM 858 CE LYS A 59 -0.225 0.327 11.144 1.00 0.00 C ATOM 859 NZ LYS A 59 -0.501 -0.601 12.275 1.00 0.00 N ATOM 0 H LYS A 59 0.875 4.501 7.969 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.079 4.072 10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.944 4.341 10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.819 4.175 11.722 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.835 2.049 9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.156 2.089 10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.794 1.577 12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.626 2.315 11.849 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.126 0.444 10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.537 -0.107 10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.159 -1.343 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.389 -1.037 12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.926 -0.071 13.063 1.00 0.00 H new ATOM 873 N ASP A 60 -0.842 6.471 10.977 1.00 0.00 N ATOM 874 CA ASP A 60 -0.949 7.905 11.219 1.00 0.00 C ATOM 875 C ASP A 60 -1.646 8.603 10.056 1.00 0.00 C ATOM 876 O ASP A 60 -1.168 9.618 9.550 1.00 0.00 O ATOM 877 CB ASP A 60 0.439 8.511 11.436 1.00 0.00 C ATOM 878 CG ASP A 60 0.870 8.466 12.889 1.00 0.00 C ATOM 879 OD1 ASP A 60 0.312 9.238 13.697 1.00 0.00 O ATOM 880 OD2 ASP A 60 1.766 7.660 13.217 1.00 0.00 O ATOM 0 H ASP A 60 -1.333 5.891 11.657 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.547 8.053 12.118 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.166 7.973 10.828 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.438 9.545 11.092 1.00 0.00 H new ATOM 885 N VAL A 61 -2.780 8.050 9.635 1.00 0.00 N ATOM 886 CA VAL A 61 -3.544 8.619 8.531 1.00 0.00 C ATOM 887 C VAL A 61 -4.190 9.940 8.933 1.00 0.00 C ATOM 888 O VAL A 61 -5.230 9.958 9.591 1.00 0.00 O ATOM 889 CB VAL A 61 -4.639 7.650 8.048 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.417 8.256 6.890 1.00 0.00 C ATOM 891 CG2 VAL A 61 -4.031 6.313 7.651 1.00 0.00 C ATOM 0 H VAL A 61 -3.189 7.209 10.042 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.841 8.795 7.717 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.334 7.477 8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.186 7.556 6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.886 9.185 7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.737 8.461 6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.820 5.641 7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.313 6.465 6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.525 5.874 8.511 1.00 0.00 H new ATOM 901 N GLN A 62 -3.567 11.043 8.533 1.00 0.00 N ATOM 902 CA GLN A 62 -4.082 12.370 8.852 1.00 0.00 C ATOM 903 C GLN A 62 -5.416 12.618 8.155 1.00 0.00 C ATOM 904 O GLN A 62 -5.494 12.720 6.930 1.00 0.00 O ATOM 905 CB GLN A 62 -3.072 13.444 8.444 1.00 0.00 C ATOM 906 CG GLN A 62 -1.802 13.433 9.280 1.00 0.00 C ATOM 907 CD GLN A 62 -1.086 14.769 9.270 1.00 0.00 C ATOM 908 OE1 GLN A 62 -0.379 15.101 8.319 1.00 0.00 O ATOM 909 NE2 GLN A 62 -1.267 15.546 10.332 1.00 0.00 N ATOM 0 H GLN A 62 -2.705 11.045 7.988 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.241 12.421 9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.808 13.304 7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.543 14.424 8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.050 13.166 10.307 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.130 12.662 8.903 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.862 15.231 11.099 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.811 16.457 10.381 1.00 0.00 H new ATOM 918 N PRO A 63 -6.491 12.717 8.951 1.00 0.00 N ATOM 919 CA PRO A 63 -7.841 12.954 8.432 1.00 0.00 C ATOM 920 C PRO A 63 -8.006 14.362 7.869 1.00 0.00 C ATOM 921 O PRO A 63 -9.049 14.699 7.310 1.00 0.00 O ATOM 922 CB PRO A 63 -8.733 12.761 9.661 1.00 0.00 C ATOM 923 CG PRO A 63 -7.847 13.058 10.822 1.00 0.00 C ATOM 924 CD PRO A 63 -6.471 12.605 10.419 1.00 0.00 C ATOM 0 HA PRO A 63 -8.083 12.287 7.605 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.592 13.432 9.636 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.124 11.745 9.711 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.854 14.122 11.056 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.185 12.533 11.715 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.696 13.233 10.859 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.274 11.583 10.741 1.00 0.00 H new ATOM 932 N GLY A 64 -6.970 15.181 8.021 1.00 0.00 N ATOM 933 CA GLY A 64 -7.021 16.543 7.522 1.00 0.00 C ATOM 934 C GLY A 64 -5.951 16.821 6.485 1.00 0.00 C ATOM 935 O GLY A 64 -5.359 17.900 6.468 1.00 0.00 O ATOM 0 H GLY A 64 -6.096 14.926 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.002 16.730 7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.904 17.236 8.355 1.00 0.00 H new ATOM 939 N SER A 65 -5.700 15.844 5.619 1.00 0.00 N ATOM 940 CA SER A 65 -4.689 15.987 4.578 1.00 0.00 C ATOM 941 C SER A 65 -5.183 15.403 3.258 1.00 0.00 C ATOM 942 O SER A 65 -6.242 14.778 3.200 1.00 0.00 O ATOM 943 CB SER A 65 -3.390 15.298 5.000 1.00 0.00 C ATOM 944 OG SER A 65 -2.966 15.746 6.276 1.00 0.00 O ATOM 0 H SER A 65 -6.183 14.945 5.618 1.00 0.00 H new ATOM 0 HA SER A 65 -4.497 17.051 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.538 14.218 5.021 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.612 15.499 4.263 1.00 0.00 H new ATOM 0 HG SER A 65 -2.012 15.554 6.390 1.00 0.00 H new ATOM 950 N VAL A 66 -4.406 15.610 2.199 1.00 0.00 N ATOM 951 CA VAL A 66 -4.763 15.104 0.879 1.00 0.00 C ATOM 952 C VAL A 66 -5.031 13.603 0.920 1.00 0.00 C ATOM 953 O VAL A 66 -5.846 13.087 0.156 1.00 0.00 O ATOM 954 CB VAL A 66 -3.652 15.387 -0.149 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.365 14.677 0.245 1.00 0.00 C ATOM 956 CG2 VAL A 66 -4.096 14.968 -1.543 1.00 0.00 C ATOM 0 H VAL A 66 -3.526 16.124 2.230 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.671 15.625 0.575 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.458 16.460 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.592 14.889 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.039 15.031 1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.541 13.602 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.299 15.175 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.319 13.901 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.989 15.527 -1.824 1.00 0.00 H new ATOM 966 N ALA A 67 -4.340 12.909 1.818 1.00 0.00 N ATOM 967 CA ALA A 67 -4.506 11.467 1.961 1.00 0.00 C ATOM 968 C ALA A 67 -5.956 11.109 2.266 1.00 0.00 C ATOM 969 O ALA A 67 -6.464 10.089 1.802 1.00 0.00 O ATOM 970 CB ALA A 67 -3.588 10.937 3.052 1.00 0.00 C ATOM 0 H ALA A 67 -3.660 13.321 2.457 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.236 10.999 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.722 9.860 3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.552 11.152 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.832 11.419 3.999 1.00 0.00 H new ATOM 976 N ASP A 68 -6.617 11.954 3.050 1.00 0.00 N ATOM 977 CA ASP A 68 -8.010 11.727 3.417 1.00 0.00 C ATOM 978 C ASP A 68 -8.946 12.161 2.293 1.00 0.00 C ATOM 979 O ASP A 68 -9.764 11.375 1.815 1.00 0.00 O ATOM 980 CB ASP A 68 -8.351 12.483 4.702 1.00 0.00 C ATOM 981 CG ASP A 68 -9.842 12.698 4.868 1.00 0.00 C ATOM 982 OD1 ASP A 68 -10.616 11.775 4.538 1.00 0.00 O ATOM 983 OD2 ASP A 68 -10.236 13.790 5.329 1.00 0.00 O ATOM 0 H ASP A 68 -6.210 12.803 3.444 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.146 10.659 3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.969 11.928 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.846 13.449 4.697 1.00 0.00 H new ATOM 988 N ARG A 69 -8.820 13.416 1.877 1.00 0.00 N ATOM 989 CA ARG A 69 -9.656 13.955 0.811 1.00 0.00 C ATOM 990 C ARG A 69 -9.599 13.066 -0.428 1.00 0.00 C ATOM 991 O ARG A 69 -10.553 13.003 -1.204 1.00 0.00 O ATOM 992 CB ARG A 69 -9.211 15.375 0.453 1.00 0.00 C ATOM 993 CG ARG A 69 -8.156 15.425 -0.639 1.00 0.00 C ATOM 994 CD ARG A 69 -7.650 16.842 -0.860 1.00 0.00 C ATOM 995 NE ARG A 69 -8.550 17.618 -1.710 1.00 0.00 N ATOM 996 CZ ARG A 69 -8.335 18.886 -2.043 1.00 0.00 C ATOM 997 NH1 ARG A 69 -7.255 19.517 -1.602 1.00 0.00 N ATOM 998 NH2 ARG A 69 -9.200 19.525 -2.820 1.00 0.00 N ATOM 0 H ARG A 69 -8.147 14.079 2.262 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.685 13.983 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.080 15.949 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.820 15.860 1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.322 14.777 -0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.574 15.038 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.539 17.342 0.102 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.661 16.807 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.389 17.161 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.587 19.029 -1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.092 20.491 -1.859 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.031 19.043 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.034 20.499 -3.075 1.00 0.00 H new ATOM 1012 N ASP A 70 -8.475 12.381 -0.606 1.00 0.00 N ATOM 1013 CA ASP A 70 -8.293 11.494 -1.750 1.00 0.00 C ATOM 1014 C ASP A 70 -9.466 10.528 -1.880 1.00 0.00 C ATOM 1015 O ASP A 70 -10.429 10.600 -1.117 1.00 0.00 O ATOM 1016 CB ASP A 70 -6.985 10.713 -1.614 1.00 0.00 C ATOM 1017 CG ASP A 70 -7.147 9.453 -0.785 1.00 0.00 C ATOM 1018 OD1 ASP A 70 -8.047 9.423 0.080 1.00 0.00 O ATOM 1019 OD2 ASP A 70 -6.375 8.497 -1.004 1.00 0.00 O ATOM 0 H ASP A 70 -7.676 12.423 0.027 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.249 12.107 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.619 10.447 -2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.230 11.352 -1.156 1.00 0.00 H new ATOM 1024 N GLN A 71 -9.378 9.626 -2.852 1.00 0.00 N ATOM 1025 CA GLN A 71 -10.434 8.647 -3.083 1.00 0.00 C ATOM 1026 C GLN A 71 -10.866 7.994 -1.775 1.00 0.00 C ATOM 1027 O GLN A 71 -11.973 8.228 -1.289 1.00 0.00 O ATOM 1028 CB GLN A 71 -9.960 7.578 -4.069 1.00 0.00 C ATOM 1029 CG GLN A 71 -11.095 6.863 -4.784 1.00 0.00 C ATOM 1030 CD GLN A 71 -10.692 6.350 -6.152 1.00 0.00 C ATOM 1031 OE1 GLN A 71 -10.005 7.038 -6.909 1.00 0.00 O ATOM 1032 NE2 GLN A 71 -11.117 5.135 -6.478 1.00 0.00 N ATOM 0 H GLN A 71 -8.587 9.553 -3.492 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.292 9.168 -3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.310 8.042 -4.811 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.359 6.843 -3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.435 6.027 -4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.939 7.545 -4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.684 4.600 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.876 4.737 -7.386 1.00 0.00 H new ATOM 1041 N ARG A 72 -9.986 7.173 -1.210 1.00 0.00 N ATOM 1042 CA ARG A 72 -10.278 6.485 0.042 1.00 0.00 C ATOM 1043 C ARG A 72 -9.052 5.726 0.543 1.00 0.00 C ATOM 1044 O ARG A 72 -8.469 4.919 -0.182 1.00 0.00 O ATOM 1045 CB ARG A 72 -11.449 5.518 -0.144 1.00 0.00 C ATOM 1046 CG ARG A 72 -11.078 4.250 -0.895 1.00 0.00 C ATOM 1047 CD ARG A 72 -10.637 3.148 0.055 1.00 0.00 C ATOM 1048 NE ARG A 72 -11.760 2.586 0.800 1.00 0.00 N ATOM 1049 CZ ARG A 72 -12.639 1.738 0.276 1.00 0.00 C ATOM 1050 NH1 ARG A 72 -12.524 1.358 -0.989 1.00 0.00 N ATOM 1051 NH2 ARG A 72 -13.634 1.270 1.018 1.00 0.00 N ATOM 0 H ARG A 72 -9.066 6.968 -1.599 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.549 7.235 0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.845 5.248 0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.248 6.028 -0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.933 3.908 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.276 4.466 -1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.145 2.357 -0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.901 3.545 0.754 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.876 2.859 1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.760 1.717 -1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.200 0.707 -1.389 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.725 1.561 1.991 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.308 0.619 0.615 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.667 5.990 1.787 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.511 5.333 2.386 1.00 0.00 C ATOM 1067 C LEU A 73 -7.766 5.016 3.856 1.00 0.00 C ATOM 1068 O LEU A 73 -7.932 5.918 4.677 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.270 6.217 2.250 1.00 0.00 C ATOM 1070 CG LEU A 73 -4.932 5.485 2.146 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.853 6.417 1.617 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.530 4.913 3.497 1.00 0.00 C ATOM 0 H LEU A 73 -9.139 6.655 2.400 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.341 4.396 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.389 6.842 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.229 6.886 3.110 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.046 4.659 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.908 5.878 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.136 6.777 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.740 7.264 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.575 4.396 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.435 5.722 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.292 4.211 3.836 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.792 3.728 4.182 1.00 0.00 N ATOM 1085 CA LYS A 74 -8.023 3.291 5.554 1.00 0.00 C ATOM 1086 C LYS A 74 -6.705 2.965 6.250 1.00 0.00 C ATOM 1087 O LYS A 74 -5.711 2.649 5.598 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.938 2.064 5.572 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.244 2.269 4.824 1.00 0.00 C ATOM 1090 CD LYS A 74 -11.278 2.972 5.688 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.940 2.009 6.661 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.964 1.160 5.991 1.00 0.00 N ATOM 0 H LYS A 74 -7.656 2.969 3.515 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.506 4.106 6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.407 1.219 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.159 1.801 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.061 2.856 3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.634 1.304 4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.801 3.780 6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.037 3.427 5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.181 1.372 7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.407 2.573 7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.428 0.553 6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.675 1.768 5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.505 0.566 5.271 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.707 3.043 7.577 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.510 2.756 8.360 1.00 0.00 C ATOM 1108 C GLU A 75 -5.159 1.273 8.291 1.00 0.00 C ATOM 1109 O GLU A 75 -6.011 0.435 7.998 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.714 3.177 9.817 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.431 3.592 10.515 1.00 0.00 C ATOM 1112 CD GLU A 75 -4.550 3.551 12.027 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -5.438 2.833 12.532 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -3.756 4.238 12.704 1.00 0.00 O ATOM 0 H GLU A 75 -7.523 3.302 8.132 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.684 3.327 7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.421 4.006 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.165 2.350 10.366 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.621 2.934 10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.162 4.601 10.203 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.897 0.957 8.564 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.431 -0.425 8.532 1.00 0.00 C ATOM 1123 C ASN A 76 -3.553 -1.008 7.128 1.00 0.00 C ATOM 1124 O ASN A 76 -3.769 -2.209 6.960 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.229 -1.277 9.522 1.00 0.00 C ATOM 1126 CG ASN A 76 -3.609 -1.289 10.905 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -2.563 -1.901 11.123 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -4.253 -0.611 11.848 1.00 0.00 N ATOM 0 H ASN A 76 -3.179 1.639 8.810 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.380 -0.435 8.820 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.248 -0.895 9.587 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.295 -2.299 9.147 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.884 -0.583 12.798 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.117 -0.118 11.622 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.413 -0.151 6.123 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.506 -0.581 4.732 1.00 0.00 C ATOM 1137 C ASP A 77 -2.134 -0.975 4.193 1.00 0.00 C ATOM 1138 O ASP A 77 -1.286 -0.120 3.944 1.00 0.00 O ATOM 1139 CB ASP A 77 -4.105 0.532 3.871 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.621 0.508 3.868 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -6.208 -0.038 4.825 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.220 1.037 2.909 1.00 0.00 O ATOM 0 H ASP A 77 -3.235 0.846 6.245 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.158 -1.453 4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.760 1.498 4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.741 0.433 2.848 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.925 -2.276 4.017 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.656 -2.783 3.509 1.00 0.00 C ATOM 1149 C GLN A 78 -0.481 -2.434 2.035 1.00 0.00 C ATOM 1150 O GLN A 78 -1.214 -2.929 1.178 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.576 -4.299 3.699 1.00 0.00 C ATOM 1152 CG GLN A 78 0.846 -4.837 3.708 1.00 0.00 C ATOM 1153 CD GLN A 78 0.933 -6.266 3.209 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.079 -7.097 3.519 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.968 -6.559 2.431 1.00 0.00 N ATOM 0 H GLN A 78 -2.618 -2.997 4.219 1.00 0.00 H new ATOM 0 HA GLN A 78 0.148 -2.310 4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.062 -4.565 4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.135 -4.787 2.901 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.475 -4.200 3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.243 -4.785 4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.652 -5.839 2.200 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.079 -7.504 2.065 1.00 0.00 H new ATOM 1164 N ILE A 79 0.494 -1.578 1.747 1.00 0.00 N ATOM 1165 CA ILE A 79 0.765 -1.163 0.376 1.00 0.00 C ATOM 1166 C ILE A 79 1.462 -2.271 -0.406 1.00 0.00 C ATOM 1167 O ILE A 79 2.637 -2.562 -0.178 1.00 0.00 O ATOM 1168 CB ILE A 79 1.636 0.106 0.334 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.958 1.243 1.101 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.903 0.518 -1.106 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.731 2.542 1.065 1.00 0.00 C ATOM 0 H ILE A 79 1.109 -1.159 2.444 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.199 -0.947 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 79 2.591 -0.111 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.035 1.409 0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.822 0.939 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.520 1.417 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.424 -0.287 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.957 0.720 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.191 3.303 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.715 2.392 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.845 2.869 0.032 1.00 0.00 H new ATOM 1183 N LEU A 80 0.732 -2.885 -1.330 1.00 0.00 N ATOM 1184 CA LEU A 80 1.281 -3.961 -2.149 1.00 0.00 C ATOM 1185 C LEU A 80 2.211 -3.407 -3.223 1.00 0.00 C ATOM 1186 O LEU A 80 3.344 -3.864 -3.373 1.00 0.00 O ATOM 1187 CB LEU A 80 0.150 -4.761 -2.799 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.886 -5.355 -1.845 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.981 -6.069 -2.624 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.222 -6.307 -0.861 1.00 0.00 C ATOM 0 H LEU A 80 -0.242 -2.657 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 80 1.858 -4.621 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.367 -4.112 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.592 -5.574 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.341 -4.541 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.710 -6.486 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.477 -5.360 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.542 -6.873 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.975 -6.720 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.260 -7.117 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.525 -5.767 -0.280 1.00 0.00 H new ATOM 1202 N ALA A 81 1.725 -2.419 -3.967 1.00 0.00 N ATOM 1203 CA ALA A 81 2.515 -1.800 -5.025 1.00 0.00 C ATOM 1204 C ALA A 81 2.394 -0.280 -4.982 1.00 0.00 C ATOM 1205 O ALA A 81 1.374 0.258 -4.552 1.00 0.00 O ATOM 1206 CB ALA A 81 2.082 -2.328 -6.384 1.00 0.00 C ATOM 0 H ALA A 81 0.789 -2.030 -3.857 1.00 0.00 H new ATOM 0 HA ALA A 81 3.561 -2.060 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.680 -1.857 -7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.226 -3.408 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.029 -2.098 -6.545 1.00 0.00 H new ATOM 1212 N ILE A 82 3.441 0.404 -5.430 1.00 0.00 N ATOM 1213 CA ILE A 82 3.451 1.862 -5.443 1.00 0.00 C ATOM 1214 C ILE A 82 3.872 2.397 -6.807 1.00 0.00 C ATOM 1215 O ILE A 82 5.012 2.212 -7.232 1.00 0.00 O ATOM 1216 CB ILE A 82 4.396 2.428 -4.367 1.00 0.00 C ATOM 1217 CG1 ILE A 82 4.009 1.897 -2.986 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.367 3.949 -4.384 1.00 0.00 C ATOM 1219 CD1 ILE A 82 4.973 2.299 -1.892 1.00 0.00 C ATOM 0 H ILE A 82 4.293 -0.027 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 82 2.433 2.186 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 82 5.412 2.101 -4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.013 2.259 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.952 0.809 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.040 4.334 -3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.687 4.308 -5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.353 4.296 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.636 1.888 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.966 1.914 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.013 3.386 -1.823 1.00 0.00 H new ATOM 1231 N ASN A 83 2.945 3.063 -7.488 1.00 0.00 N ATOM 1232 CA ASN A 83 3.221 3.626 -8.805 1.00 0.00 C ATOM 1233 C ASN A 83 3.558 2.527 -9.807 1.00 0.00 C ATOM 1234 O ASN A 83 4.525 2.636 -10.563 1.00 0.00 O ATOM 1235 CB ASN A 83 4.375 4.628 -8.722 1.00 0.00 C ATOM 1236 CG ASN A 83 3.897 6.036 -8.423 1.00 0.00 C ATOM 1237 OD1 ASN A 83 2.994 6.162 -7.458 1.00 0.00 O flip ATOM 1238 ND2 ASN A 83 4.336 6.999 -9.053 1.00 0.00 N flip ATOM 0 H ASN A 83 1.997 3.226 -7.150 1.00 0.00 H new ATOM 0 HA ASN A 83 2.324 4.142 -9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.072 4.312 -7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.923 4.626 -9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.030 6.855 -9.787 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.006 7.941 -8.841 1.00 0.00 H new ATOM 1245 N HIS A 84 2.755 1.468 -9.809 1.00 0.00 N ATOM 1246 CA HIS A 84 2.967 0.348 -10.719 1.00 0.00 C ATOM 1247 C HIS A 84 4.267 -0.380 -10.392 1.00 0.00 C ATOM 1248 O HIS A 84 5.084 -0.643 -11.275 1.00 0.00 O ATOM 1249 CB HIS A 84 2.994 0.839 -12.167 1.00 0.00 C ATOM 1250 CG HIS A 84 2.560 -0.196 -13.159 1.00 0.00 C ATOM 1251 ND1 HIS A 84 2.530 -1.546 -13.073 1.00 0.00 N flip ATOM 1252 CD2 HIS A 84 2.089 0.118 -14.416 1.00 0.00 C flip ATOM 1253 CE1 HIS A 84 2.044 -2.019 -14.267 1.00 0.00 C flip ATOM 1254 NE2 HIS A 84 1.786 -0.995 -15.060 1.00 0.00 N flip ATOM 0 H HIS A 84 1.951 1.362 -9.190 1.00 0.00 H new ATOM 0 HA HIS A 84 2.140 -0.351 -10.595 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.347 1.712 -12.258 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.005 1.165 -12.413 1.00 0.00 H new ATOM 0 HD1 HIS A 84 2.815 -2.108 -12.271 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.984 1.117 -14.812 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.897 -3.059 -14.517 1.00 0.00 H new ATOM 1263 N THR A 85 4.454 -0.701 -9.115 1.00 0.00 N ATOM 1264 CA THR A 85 5.656 -1.397 -8.671 1.00 0.00 C ATOM 1265 C THR A 85 5.414 -2.123 -7.353 1.00 0.00 C ATOM 1266 O THR A 85 5.232 -1.509 -6.302 1.00 0.00 O ATOM 1267 CB THR A 85 6.837 -0.423 -8.499 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.237 0.092 -9.773 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.016 -1.116 -7.832 1.00 0.00 C ATOM 0 H THR A 85 3.789 -0.490 -8.371 1.00 0.00 H new ATOM 0 HA THR A 85 5.905 -2.125 -9.443 1.00 0.00 H new ATOM 0 HB THR A 85 6.512 0.400 -7.862 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.617 -0.225 -10.463 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.838 -0.409 -7.721 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.716 -1.481 -6.850 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.340 -1.956 -8.447 1.00 0.00 H new ATOM 1277 N PRO A 86 5.413 -3.464 -7.406 1.00 0.00 N ATOM 1278 CA PRO A 86 5.197 -4.303 -6.224 1.00 0.00 C ATOM 1279 C PRO A 86 6.368 -4.246 -5.250 1.00 0.00 C ATOM 1280 O PRO A 86 7.527 -4.165 -5.660 1.00 0.00 O ATOM 1281 CB PRO A 86 5.056 -5.710 -6.810 1.00 0.00 C ATOM 1282 CG PRO A 86 5.801 -5.660 -8.099 1.00 0.00 C ATOM 1283 CD PRO A 86 5.624 -4.263 -8.625 1.00 0.00 C ATOM 0 HA PRO A 86 4.332 -3.978 -5.646 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.474 -6.462 -6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.009 -5.970 -6.968 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.856 -5.890 -7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.411 -6.395 -8.804 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.501 -3.928 -9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.774 -4.194 -9.303 1.00 0.00 H new ATOM 1291 N LEU A 87 6.060 -4.288 -3.959 1.00 0.00 N ATOM 1292 CA LEU A 87 7.088 -4.241 -2.925 1.00 0.00 C ATOM 1293 C LEU A 87 7.512 -5.648 -2.514 1.00 0.00 C ATOM 1294 O LEU A 87 7.910 -5.878 -1.372 1.00 0.00 O ATOM 1295 CB LEU A 87 6.578 -3.473 -1.704 1.00 0.00 C ATOM 1296 CG LEU A 87 5.926 -2.119 -1.988 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.279 -1.564 -0.728 1.00 0.00 C ATOM 1298 CD2 LEU A 87 6.950 -1.139 -2.540 1.00 0.00 C ATOM 0 H LEU A 87 5.107 -4.355 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 87 7.956 -3.724 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.855 -4.099 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.414 -3.315 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 87 5.149 -2.262 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.820 -0.600 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.515 -2.257 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.037 -1.436 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.468 -0.181 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.750 -1.001 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.367 -1.532 -3.467 1.00 0.00 H new ATOM 1310 N ASP A 88 7.425 -6.584 -3.452 1.00 0.00 N ATOM 1311 CA ASP A 88 7.802 -7.968 -3.189 1.00 0.00 C ATOM 1312 C ASP A 88 9.222 -8.048 -2.639 1.00 0.00 C ATOM 1313 O ASP A 88 9.869 -7.026 -2.414 1.00 0.00 O ATOM 1314 CB ASP A 88 7.689 -8.801 -4.467 1.00 0.00 C ATOM 1315 CG ASP A 88 8.314 -8.113 -5.664 1.00 0.00 C ATOM 1316 OD1 ASP A 88 9.052 -7.126 -5.463 1.00 0.00 O ATOM 1317 OD2 ASP A 88 8.066 -8.562 -6.803 1.00 0.00 O ATOM 0 H ASP A 88 7.097 -6.410 -4.402 1.00 0.00 H new ATOM 0 HA ASP A 88 7.118 -8.370 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.173 -9.765 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.638 -9.001 -4.675 1.00 0.00 H new ATOM 1322 N GLN A 89 9.700 -9.270 -2.423 1.00 0.00 N ATOM 1323 CA GLN A 89 11.043 -9.483 -1.897 1.00 0.00 C ATOM 1324 C GLN A 89 12.043 -8.545 -2.564 1.00 0.00 C ATOM 1325 O GLN A 89 12.878 -7.937 -1.896 1.00 0.00 O ATOM 1326 CB GLN A 89 11.471 -10.937 -2.107 1.00 0.00 C ATOM 1327 CG GLN A 89 11.475 -11.365 -3.565 1.00 0.00 C ATOM 1328 CD GLN A 89 12.790 -11.066 -4.258 1.00 0.00 C ATOM 1329 OE1 GLN A 89 13.738 -10.588 -3.634 1.00 0.00 O ATOM 1330 NE2 GLN A 89 12.854 -11.347 -5.554 1.00 0.00 N ATOM 0 H GLN A 89 9.177 -10.127 -2.604 1.00 0.00 H new ATOM 0 HA GLN A 89 11.027 -9.267 -0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.470 -11.076 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.800 -11.589 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.271 -12.434 -3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.667 -10.856 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.044 -11.742 -6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.714 -11.168 -6.073 1.00 0.00 H new ATOM 1339 N ASN A 90 11.953 -8.433 -3.885 1.00 0.00 N ATOM 1340 CA ASN A 90 12.852 -7.569 -4.642 1.00 0.00 C ATOM 1341 C ASN A 90 13.011 -6.216 -3.957 1.00 0.00 C ATOM 1342 O ASN A 90 14.121 -5.812 -3.608 1.00 0.00 O ATOM 1343 CB ASN A 90 12.326 -7.374 -6.066 1.00 0.00 C ATOM 1344 CG ASN A 90 12.359 -8.656 -6.875 1.00 0.00 C ATOM 1345 OD1 ASN A 90 13.559 -9.169 -7.121 1.00 0.00 O flip ATOM 1346 ND2 ASN A 90 11.318 -9.178 -7.275 1.00 0.00 N flip ATOM 0 H ASN A 90 11.267 -8.929 -4.454 1.00 0.00 H new ATOM 0 HA ASN A 90 13.829 -8.051 -4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.303 -7.000 -6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.923 -6.614 -6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 90 10.418 -8.749 -7.062 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.356 -10.040 -7.819 1.00 0.00 H new ATOM 1353 N ILE A 91 11.896 -5.520 -3.766 1.00 0.00 N ATOM 1354 CA ILE A 91 11.911 -4.213 -3.121 1.00 0.00 C ATOM 1355 C ILE A 91 11.698 -4.341 -1.616 1.00 0.00 C ATOM 1356 O ILE A 91 10.830 -5.087 -1.163 1.00 0.00 O ATOM 1357 CB ILE A 91 10.831 -3.284 -3.705 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.376 -2.534 -4.921 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.345 -2.306 -2.646 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.429 -1.482 -5.456 1.00 0.00 C ATOM 0 H ILE A 91 10.970 -5.840 -4.049 1.00 0.00 H new ATOM 0 HA ILE A 91 12.892 -3.778 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 91 9.985 -3.891 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.319 -2.059 -4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.594 -3.251 -5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.582 -1.656 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.922 -2.859 -1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.182 -1.702 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.881 -0.990 -6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.493 -1.954 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.230 -0.743 -4.680 1.00 0.00 H new ATOM 1372 N SER A 92 12.494 -3.605 -0.847 1.00 0.00 N ATOM 1373 CA SER A 92 12.394 -3.637 0.608 1.00 0.00 C ATOM 1374 C SER A 92 11.558 -2.468 1.120 1.00 0.00 C ATOM 1375 O SER A 92 10.986 -1.709 0.337 1.00 0.00 O ATOM 1376 CB SER A 92 13.788 -3.596 1.237 1.00 0.00 C ATOM 1377 OG SER A 92 14.498 -4.795 0.982 1.00 0.00 O ATOM 0 H SER A 92 13.215 -2.980 -1.207 1.00 0.00 H new ATOM 0 HA SER A 92 11.902 -4.566 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.345 -2.748 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.701 -3.443 2.313 1.00 0.00 H new ATOM 0 HG SER A 92 15.386 -4.743 1.393 1.00 0.00 H new ATOM 1383 N HIS A 93 11.491 -2.331 2.441 1.00 0.00 N ATOM 1384 CA HIS A 93 10.725 -1.254 3.059 1.00 0.00 C ATOM 1385 C HIS A 93 11.257 0.109 2.627 1.00 0.00 C ATOM 1386 O HIS A 93 10.489 0.993 2.251 1.00 0.00 O ATOM 1387 CB HIS A 93 10.775 -1.375 4.583 1.00 0.00 C ATOM 1388 CG HIS A 93 11.911 -0.624 5.206 1.00 0.00 C ATOM 1389 ND1 HIS A 93 12.077 0.700 5.436 1.00 0.00 N flip ATOM 1390 CD2 HIS A 93 13.053 -1.238 5.674 1.00 0.00 C flip ATOM 1391 CE1 HIS A 93 13.303 0.859 6.034 1.00 0.00 C flip ATOM 1392 NE2 HIS A 93 13.871 -0.325 6.167 1.00 0.00 N flip ATOM 0 H HIS A 93 11.957 -2.951 3.103 1.00 0.00 H new ATOM 0 HA HIS A 93 9.690 -1.341 2.728 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.836 -1.009 4.999 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.855 -2.428 4.853 1.00 0.00 H new ATOM 0 HD2 HIS A 93 13.249 -2.300 5.643 1.00 0.00 H new ATOM 0 HE1 HIS A 93 13.733 1.800 6.345 1.00 0.00 H new ATOM 0 HE2 HIS A 93 14.786 -0.505 6.580 1.00 0.00 H new ATOM 1401 N GLN A 94 12.575 0.270 2.686 1.00 0.00 N ATOM 1402 CA GLN A 94 13.209 1.526 2.302 1.00 0.00 C ATOM 1403 C GLN A 94 12.727 1.981 0.929 1.00 0.00 C ATOM 1404 O GLN A 94 12.032 2.990 0.808 1.00 0.00 O ATOM 1405 CB GLN A 94 14.731 1.373 2.297 1.00 0.00 C ATOM 1406 CG GLN A 94 15.296 0.868 3.614 1.00 0.00 C ATOM 1407 CD GLN A 94 16.713 0.346 3.480 1.00 0.00 C ATOM 1408 OE1 GLN A 94 16.965 -0.623 2.764 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.649 0.989 4.169 1.00 0.00 N ATOM 0 H GLN A 94 13.224 -0.453 2.996 1.00 0.00 H new ATOM 0 HA GLN A 94 12.930 2.284 3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.016 0.685 1.501 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.184 2.336 2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 94 15.278 1.676 4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.656 0.075 3.999 1.00 0.00 H new ATOM 0 HE21 GLN A 94 17.396 1.788 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.621 0.684 4.117 1.00 0.00 H new ATOM 1418 N GLN A 95 13.100 1.231 -0.103 1.00 0.00 N ATOM 1419 CA GLN A 95 12.706 1.559 -1.468 1.00 0.00 C ATOM 1420 C GLN A 95 11.262 2.046 -1.515 1.00 0.00 C ATOM 1421 O GLN A 95 10.968 3.093 -2.090 1.00 0.00 O ATOM 1422 CB GLN A 95 12.877 0.341 -2.377 1.00 0.00 C ATOM 1423 CG GLN A 95 14.314 0.104 -2.813 1.00 0.00 C ATOM 1424 CD GLN A 95 15.070 -0.803 -1.862 1.00 0.00 C ATOM 1425 OE1 GLN A 95 15.271 -0.468 -0.694 1.00 0.00 O ATOM 1426 NE2 GLN A 95 15.494 -1.959 -2.358 1.00 0.00 N ATOM 0 H GLN A 95 13.674 0.392 -0.020 1.00 0.00 H new ATOM 0 HA GLN A 95 13.352 2.362 -1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.513 -0.545 -1.856 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.254 0.468 -3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.319 -0.336 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.831 1.061 -2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.305 -2.196 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.009 -2.610 -1.765 1.00 0.00 H new ATOM 1435 N ALA A 96 10.363 1.277 -0.908 1.00 0.00 N ATOM 1436 CA ALA A 96 8.950 1.630 -0.880 1.00 0.00 C ATOM 1437 C ALA A 96 8.755 3.080 -0.448 1.00 0.00 C ATOM 1438 O ALA A 96 8.014 3.832 -1.083 1.00 0.00 O ATOM 1439 CB ALA A 96 8.190 0.694 0.049 1.00 0.00 C ATOM 0 H ALA A 96 10.589 0.405 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 96 8.554 1.522 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.135 0.970 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.293 -0.332 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.596 0.773 1.057 1.00 0.00 H new ATOM 1445 N ILE A 97 9.422 3.465 0.634 1.00 0.00 N ATOM 1446 CA ILE A 97 9.322 4.825 1.150 1.00 0.00 C ATOM 1447 C ILE A 97 9.756 5.843 0.101 1.00 0.00 C ATOM 1448 O ILE A 97 9.063 6.831 -0.143 1.00 0.00 O ATOM 1449 CB ILE A 97 10.178 5.011 2.416 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.812 3.960 3.466 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.996 6.414 2.977 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.505 4.165 4.794 1.00 0.00 C ATOM 0 H ILE A 97 10.038 2.854 1.171 1.00 0.00 H new ATOM 0 HA ILE A 97 8.275 4.991 1.403 1.00 0.00 H new ATOM 0 HB ILE A 97 11.227 4.880 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.733 3.975 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.065 2.972 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.607 6.530 3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.302 7.147 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.948 6.571 3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.198 3.383 5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.585 4.120 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.233 5.139 5.200 1.00 0.00 H new ATOM 1464 N ALA A 98 10.906 5.595 -0.517 1.00 0.00 N ATOM 1465 CA ALA A 98 11.431 6.488 -1.542 1.00 0.00 C ATOM 1466 C ALA A 98 10.364 6.819 -2.580 1.00 0.00 C ATOM 1467 O ALA A 98 10.060 7.988 -2.822 1.00 0.00 O ATOM 1468 CB ALA A 98 12.647 5.866 -2.212 1.00 0.00 C ATOM 0 H ALA A 98 11.492 4.782 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 98 11.732 7.418 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.028 6.544 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.421 5.687 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.364 4.921 -2.675 1.00 0.00 H new ATOM 1474 N LEU A 99 9.799 5.784 -3.192 1.00 0.00 N ATOM 1475 CA LEU A 99 8.765 5.965 -4.205 1.00 0.00 C ATOM 1476 C LEU A 99 7.773 7.045 -3.785 1.00 0.00 C ATOM 1477 O LEU A 99 7.270 7.799 -4.618 1.00 0.00 O ATOM 1478 CB LEU A 99 8.028 4.647 -4.451 1.00 0.00 C ATOM 1479 CG LEU A 99 8.907 3.428 -4.730 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.058 2.172 -4.843 1.00 0.00 C ATOM 1481 CD2 LEU A 99 9.724 3.638 -5.997 1.00 0.00 C ATOM 0 H LEU A 99 10.039 4.811 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 99 9.248 6.282 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.409 4.432 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.353 4.784 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 99 9.596 3.302 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.701 1.315 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.519 2.012 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.345 2.287 -5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.344 2.760 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.052 3.791 -6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.362 4.514 -5.878 1.00 0.00 H new ATOM 1493 N LEU A 100 7.498 7.115 -2.487 1.00 0.00 N ATOM 1494 CA LEU A 100 6.568 8.105 -1.955 1.00 0.00 C ATOM 1495 C LEU A 100 7.234 9.472 -1.841 1.00 0.00 C ATOM 1496 O LEU A 100 6.795 10.441 -2.461 1.00 0.00 O ATOM 1497 CB LEU A 100 6.049 7.662 -0.586 1.00 0.00 C ATOM 1498 CG LEU A 100 5.388 6.284 -0.532 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.316 5.783 0.902 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.000 6.334 -1.153 1.00 0.00 C ATOM 0 H LEU A 100 7.905 6.498 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 100 5.729 8.187 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.882 7.671 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.329 8.402 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 100 5.996 5.587 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.843 4.801 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.323 5.708 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.730 6.480 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.545 5.345 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.382 7.045 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.078 6.648 -2.194 1.00 0.00 H new ATOM 1512 N GLN A 101 8.298 9.543 -1.046 1.00 0.00 N ATOM 1513 CA GLN A 101 9.025 10.791 -0.853 1.00 0.00 C ATOM 1514 C GLN A 101 9.548 11.328 -2.181 1.00 0.00 C ATOM 1515 O GLN A 101 9.984 12.475 -2.268 1.00 0.00 O ATOM 1516 CB GLN A 101 10.187 10.584 0.120 1.00 0.00 C ATOM 1517 CG GLN A 101 9.755 10.065 1.482 1.00 0.00 C ATOM 1518 CD GLN A 101 10.841 10.204 2.531 1.00 0.00 C ATOM 1519 OE1 GLN A 101 11.967 10.600 2.227 1.00 0.00 O ATOM 1520 NE2 GLN A 101 10.509 9.877 3.774 1.00 0.00 N ATOM 0 H GLN A 101 8.675 8.751 -0.526 1.00 0.00 H new ATOM 0 HA GLN A 101 8.335 11.523 -0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.897 9.882 -0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.713 11.530 0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.868 10.608 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.472 9.016 1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.564 9.553 3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.199 9.949 4.522 1.00 0.00 H new ATOM 1529 N GLN A 102 9.501 10.490 -3.212 1.00 0.00 N ATOM 1530 CA GLN A 102 9.971 10.881 -4.535 1.00 0.00 C ATOM 1531 C GLN A 102 8.799 11.199 -5.458 1.00 0.00 C ATOM 1532 O GLN A 102 8.634 12.336 -5.902 1.00 0.00 O ATOM 1533 CB GLN A 102 10.828 9.770 -5.144 1.00 0.00 C ATOM 1534 CG GLN A 102 12.177 9.600 -4.464 1.00 0.00 C ATOM 1535 CD GLN A 102 13.054 8.574 -5.156 1.00 0.00 C ATOM 1536 OE1 GLN A 102 12.617 7.320 -5.148 1.00 0.00 O flip ATOM 1537 NE2 GLN A 102 14.112 8.905 -5.690 1.00 0.00 N flip ATOM 0 H GLN A 102 9.142 9.537 -3.156 1.00 0.00 H new ATOM 0 HA GLN A 102 10.578 11.780 -4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.281 8.829 -5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.988 9.984 -6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.693 10.560 -4.444 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.022 9.300 -3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.409 9.881 -5.672 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.692 8.204 -6.151 1.00 0.00 H new ATOM 1546 N THR A 103 7.986 10.187 -5.744 1.00 0.00 N ATOM 1547 CA THR A 103 6.830 10.358 -6.614 1.00 0.00 C ATOM 1548 C THR A 103 6.208 11.739 -6.438 1.00 0.00 C ATOM 1549 O THR A 103 6.054 12.224 -5.317 1.00 0.00 O ATOM 1550 CB THR A 103 5.758 9.286 -6.342 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.153 8.039 -6.924 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.411 9.711 -6.907 1.00 0.00 C ATOM 0 H THR A 103 8.107 9.240 -5.385 1.00 0.00 H new ATOM 0 HA THR A 103 7.188 10.252 -7.638 1.00 0.00 H new ATOM 0 HB THR A 103 5.660 9.168 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.758 7.570 -6.312 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.670 8.938 -6.702 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.099 10.645 -6.440 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.497 9.855 -7.984 1.00 0.00 H new ATOM 1560 N THR A 104 5.851 12.369 -7.553 1.00 0.00 N ATOM 1561 CA THR A 104 5.246 13.694 -7.522 1.00 0.00 C ATOM 1562 C THR A 104 3.947 13.724 -8.318 1.00 0.00 C ATOM 1563 O THR A 104 3.591 12.751 -8.981 1.00 0.00 O ATOM 1564 CB THR A 104 6.204 14.762 -8.083 1.00 0.00 C ATOM 1565 OG1 THR A 104 6.991 14.206 -9.142 1.00 0.00 O ATOM 1566 CG2 THR A 104 7.118 15.296 -6.991 1.00 0.00 C ATOM 0 H THR A 104 5.971 11.982 -8.489 1.00 0.00 H new ATOM 0 HA THR A 104 5.033 13.920 -6.477 1.00 0.00 H new ATOM 0 HB THR A 104 5.607 15.587 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.596 14.892 -9.494 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.785 16.049 -7.411 1.00 0.00 H new ATOM 0 HG22 THR A 104 6.517 15.745 -6.200 1.00 0.00 H new ATOM 0 HG23 THR A 104 7.708 14.478 -6.578 1.00 0.00 H new ATOM 1574 N GLY A 105 3.241 14.849 -8.249 1.00 0.00 N ATOM 1575 CA GLY A 105 1.989 14.985 -8.969 1.00 0.00 C ATOM 1576 C GLY A 105 0.979 13.923 -8.581 1.00 0.00 C ATOM 1577 O GLY A 105 0.235 14.088 -7.614 1.00 0.00 O ATOM 0 H GLY A 105 3.514 15.669 -7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.567 15.971 -8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.181 14.925 -10.040 1.00 0.00 H new ATOM 1581 N SER A 106 0.951 12.831 -9.337 1.00 0.00 N ATOM 1582 CA SER A 106 0.021 11.740 -9.071 1.00 0.00 C ATOM 1583 C SER A 106 0.727 10.584 -8.369 1.00 0.00 C ATOM 1584 O SER A 106 1.797 10.145 -8.792 1.00 0.00 O ATOM 1585 CB SER A 106 -0.611 11.250 -10.375 1.00 0.00 C ATOM 1586 OG SER A 106 0.382 10.854 -11.306 1.00 0.00 O ATOM 0 H SER A 106 1.562 12.678 -10.139 1.00 0.00 H new ATOM 0 HA SER A 106 -0.764 12.116 -8.415 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.275 10.411 -10.168 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.223 12.042 -10.806 1.00 0.00 H new ATOM 0 HG SER A 106 -0.048 10.543 -12.130 1.00 0.00 H new ATOM 1592 N LEU A 107 0.120 10.094 -7.293 1.00 0.00 N ATOM 1593 CA LEU A 107 0.688 8.988 -6.531 1.00 0.00 C ATOM 1594 C LEU A 107 -0.311 7.842 -6.405 1.00 0.00 C ATOM 1595 O LEU A 107 -1.297 7.943 -5.675 1.00 0.00 O ATOM 1596 CB LEU A 107 1.111 9.465 -5.140 1.00 0.00 C ATOM 1597 CG LEU A 107 1.532 8.374 -4.155 1.00 0.00 C ATOM 1598 CD1 LEU A 107 2.833 7.725 -4.600 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.672 8.948 -2.752 1.00 0.00 C ATOM 0 H LEU A 107 -0.766 10.446 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 107 1.565 8.624 -7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.940 10.163 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.283 10.022 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 107 0.756 7.608 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.116 6.951 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.698 7.278 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.618 8.479 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.972 8.158 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.427 9.734 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.717 9.364 -2.432 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.047 6.753 -7.120 1.00 0.00 N ATOM 1612 CA ARG A 108 -0.923 5.588 -7.087 1.00 0.00 C ATOM 1613 C ARG A 108 -0.390 4.534 -6.121 1.00 0.00 C ATOM 1614 O ARG A 108 0.765 4.117 -6.216 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.061 4.988 -8.488 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.381 4.270 -8.716 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.234 3.139 -9.721 1.00 0.00 C ATOM 1618 NE ARG A 108 -2.440 3.595 -11.093 1.00 0.00 N ATOM 1619 CZ ARG A 108 -2.496 2.778 -12.139 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -2.363 1.470 -11.970 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -2.686 3.269 -13.357 1.00 0.00 N ATOM 0 H ARG A 108 0.766 6.653 -7.728 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.904 5.912 -6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -0.957 5.783 -9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.243 4.288 -8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.748 3.872 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.126 4.981 -9.073 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.240 2.700 -9.630 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.952 2.352 -9.489 1.00 0.00 H new ATOM 0 HE ARG A 108 -2.547 4.596 -11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.217 1.089 -11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -2.406 0.845 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.789 4.275 -13.491 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.729 2.641 -14.159 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.238 4.108 -5.192 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.853 3.103 -4.207 1.00 0.00 C ATOM 1637 C LEU A 109 -1.882 1.978 -4.146 1.00 0.00 C ATOM 1638 O LEU A 109 -3.069 2.221 -3.923 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.699 3.745 -2.828 1.00 0.00 C ATOM 1640 CG LEU A 109 0.200 4.979 -2.758 1.00 0.00 C ATOM 1641 CD1 LEU A 109 0.118 5.623 -1.383 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.638 4.611 -3.092 1.00 0.00 C ATOM 0 H LEU A 109 -2.197 4.443 -5.100 1.00 0.00 H new ATOM 0 HA LEU A 109 0.104 2.679 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.689 4.021 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.306 2.995 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.150 5.701 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.765 6.500 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.910 5.924 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.441 4.908 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.264 5.502 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.999 3.870 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.683 4.197 -4.099 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.419 0.749 -4.343 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.299 -0.413 -4.307 1.00 0.00 C ATOM 1656 C ILE A 110 -2.242 -1.103 -2.948 1.00 0.00 C ATOM 1657 O ILE A 110 -1.316 -1.862 -2.663 1.00 0.00 O ATOM 1658 CB ILE A 110 -1.933 -1.431 -5.403 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.003 -0.774 -6.783 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.859 -2.637 -5.337 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.515 -1.667 -7.902 1.00 0.00 C ATOM 0 H ILE A 110 -0.440 0.532 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.311 -0.049 -4.485 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.912 -1.772 -5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.033 -0.481 -6.985 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.408 0.139 -6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.588 -3.347 -6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.764 -3.116 -4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.889 -2.313 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.593 -1.137 -8.851 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.475 -1.939 -7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.125 -2.570 -7.939 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.241 -0.836 -2.112 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.307 -1.433 -0.784 1.00 0.00 C ATOM 1675 C VAL A 111 -4.366 -2.528 -0.726 1.00 0.00 C ATOM 1676 O VAL A 111 -5.293 -2.552 -1.535 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.617 -0.376 0.292 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.533 0.692 0.320 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -4.984 0.246 0.050 1.00 0.00 C ATOM 0 H VAL A 111 -4.016 -0.210 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.328 -1.868 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.634 -0.868 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.769 1.430 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.572 0.229 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.480 1.182 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.186 0.991 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.998 0.724 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.748 -0.530 0.086 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.223 -3.432 0.238 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.170 -4.528 0.404 1.00 0.00 C ATOM 1691 C ALA A 112 -5.925 -4.406 1.723 1.00 0.00 C ATOM 1692 O ALA A 112 -5.412 -3.849 2.694 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.447 -5.865 0.329 1.00 0.00 C ATOM 0 H ALA A 112 -3.461 -3.427 0.916 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.897 -4.474 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.166 -6.675 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.958 -5.960 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.698 -5.919 1.119 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.146 -4.929 1.751 1.00 0.00 N ATOM 1700 CA ARG A 113 -7.973 -4.877 2.951 1.00 0.00 C ATOM 1701 C ARG A 113 -8.770 -6.167 3.118 1.00 0.00 C ATOM 1702 O ARG A 113 -9.138 -6.812 2.137 1.00 0.00 O ATOM 1703 CB ARG A 113 -8.924 -3.681 2.889 1.00 0.00 C ATOM 1704 CG ARG A 113 -10.144 -3.918 2.012 1.00 0.00 C ATOM 1705 CD ARG A 113 -10.907 -2.627 1.758 1.00 0.00 C ATOM 1706 NE ARG A 113 -10.094 -1.641 1.050 1.00 0.00 N ATOM 1707 CZ ARG A 113 -9.304 -0.766 1.661 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -9.220 -0.753 2.984 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -8.595 0.100 0.948 1.00 0.00 N ATOM 0 H ARG A 113 -7.585 -5.394 0.956 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.314 -4.764 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.255 -3.438 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.380 -2.814 2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -9.832 -4.350 1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.802 -4.643 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.803 -2.844 1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.238 -2.209 2.708 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.136 -1.624 0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.763 -1.417 3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.612 -0.079 3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.657 0.094 -0.070 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.988 0.772 1.418 1.00 0.00 H new ATOM 1723 N GLU A 114 -9.032 -6.536 4.368 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.785 -7.750 4.663 1.00 0.00 C ATOM 1725 C GLU A 114 -11.018 -7.856 3.772 1.00 0.00 C ATOM 1726 O GLU A 114 -11.757 -6.891 3.574 1.00 0.00 O ATOM 1727 CB GLU A 114 -10.202 -7.773 6.135 1.00 0.00 C ATOM 1728 CG GLU A 114 -10.690 -9.131 6.609 1.00 0.00 C ATOM 1729 CD GLU A 114 -11.146 -9.116 8.055 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -11.774 -8.119 8.467 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -10.875 -10.100 8.774 1.00 0.00 O ATOM 0 H GLU A 114 -8.735 -6.013 5.192 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.139 -8.605 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.355 -7.467 6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.991 -7.038 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.515 -9.458 5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.889 -9.861 6.492 1.00 0.00 H new ATOM 1738 N PRO A 115 -11.247 -9.056 3.219 1.00 0.00 N ATOM 1739 CA PRO A 115 -12.390 -9.318 2.339 1.00 0.00 C ATOM 1740 C PRO A 115 -13.717 -9.302 3.092 1.00 0.00 C ATOM 1741 O PRO A 115 -13.753 -9.075 4.301 1.00 0.00 O ATOM 1742 CB PRO A 115 -12.103 -10.718 1.791 1.00 0.00 C ATOM 1743 CG PRO A 115 -11.238 -11.358 2.822 1.00 0.00 C ATOM 1744 CD PRO A 115 -10.408 -10.251 3.412 1.00 0.00 C ATOM 0 HA PRO A 115 -12.492 -8.556 1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.024 -11.281 1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -11.599 -10.670 0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.840 -11.845 3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.605 -12.126 2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.195 -10.427 4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.448 -10.154 2.905 1.00 0.00 H new ATOM 1752 N VAL A 116 -14.805 -9.545 2.368 1.00 0.00 N ATOM 1753 CA VAL A 116 -16.134 -9.560 2.968 1.00 0.00 C ATOM 1754 C VAL A 116 -16.702 -10.974 3.009 1.00 0.00 C ATOM 1755 O VAL A 116 -16.467 -11.776 2.105 1.00 0.00 O ATOM 1756 CB VAL A 116 -17.108 -8.649 2.197 1.00 0.00 C ATOM 1757 CG1 VAL A 116 -17.278 -9.139 0.767 1.00 0.00 C ATOM 1758 CG2 VAL A 116 -18.450 -8.582 2.909 1.00 0.00 C ATOM 0 H VAL A 116 -14.792 -9.734 1.366 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.026 -9.185 3.986 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.689 -7.643 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -17.969 -8.483 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.312 -9.131 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.675 -10.154 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -19.126 -7.934 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.878 -9.583 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -18.310 -8.181 3.913 1.00 0.00 H new ATOM 1768 N HIS A 117 -17.451 -11.274 4.066 1.00 0.00 N ATOM 1769 CA HIS A 117 -18.055 -12.592 4.225 1.00 0.00 C ATOM 1770 C HIS A 117 -19.230 -12.538 5.197 1.00 0.00 C ATOM 1771 O HIS A 117 -19.365 -11.591 5.973 1.00 0.00 O ATOM 1772 CB HIS A 117 -17.014 -13.596 4.721 1.00 0.00 C ATOM 1773 CG HIS A 117 -17.301 -15.008 4.313 1.00 0.00 C ATOM 1774 ND1 HIS A 117 -17.637 -15.365 3.024 1.00 0.00 N ATOM 1775 CD2 HIS A 117 -17.300 -16.156 5.031 1.00 0.00 C ATOM 1776 CE1 HIS A 117 -17.832 -16.671 2.967 1.00 0.00 C ATOM 1777 NE2 HIS A 117 -17.632 -17.174 4.172 1.00 0.00 N ATOM 0 H HIS A 117 -17.654 -10.623 4.824 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.426 -12.914 3.252 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -16.034 -13.309 4.340 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -16.961 -13.544 5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -17.079 -16.253 6.084 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -18.108 -17.231 2.086 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -17.711 -18.159 4.423 1.00 0.00 H new ATOM 1786 N THR A 118 -20.080 -13.559 5.148 1.00 0.00 N ATOM 1787 CA THR A 118 -21.244 -13.627 6.022 1.00 0.00 C ATOM 1788 C THR A 118 -20.869 -14.166 7.397 1.00 0.00 C ATOM 1789 O THR A 118 -20.009 -15.039 7.520 1.00 0.00 O ATOM 1790 CB THR A 118 -22.348 -14.515 5.418 1.00 0.00 C ATOM 1791 OG1 THR A 118 -23.501 -14.510 6.269 1.00 0.00 O ATOM 1792 CG2 THR A 118 -21.855 -15.942 5.234 1.00 0.00 C ATOM 0 H THR A 118 -19.984 -14.350 4.512 1.00 0.00 H new ATOM 0 HA THR A 118 -21.622 -12.610 6.125 1.00 0.00 H new ATOM 0 HB THR A 118 -22.615 -14.111 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 118 -24.199 -15.075 5.877 1.00 0.00 H new ATOM 0 HG21 THR A 118 -22.652 -16.550 4.806 1.00 0.00 H new ATOM 0 HG22 THR A 118 -20.996 -15.946 4.564 1.00 0.00 H new ATOM 0 HG23 THR A 118 -21.563 -16.354 6.200 1.00 0.00 H new ATOM 1800 N LYS A 119 -21.519 -13.642 8.431 1.00 0.00 N ATOM 1801 CA LYS A 119 -21.256 -14.072 9.799 1.00 0.00 C ATOM 1802 C LYS A 119 -22.510 -13.951 10.658 1.00 0.00 C ATOM 1803 O LYS A 119 -23.166 -12.910 10.673 1.00 0.00 O ATOM 1804 CB LYS A 119 -20.125 -13.240 10.408 1.00 0.00 C ATOM 1805 CG LYS A 119 -18.738 -13.704 9.996 1.00 0.00 C ATOM 1806 CD LYS A 119 -18.326 -14.960 10.744 1.00 0.00 C ATOM 1807 CE LYS A 119 -17.781 -14.633 12.126 1.00 0.00 C ATOM 1808 NZ LYS A 119 -16.397 -14.086 12.062 1.00 0.00 N ATOM 0 H LYS A 119 -22.233 -12.918 8.347 1.00 0.00 H new ATOM 0 HA LYS A 119 -20.955 -15.119 9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -20.253 -12.198 10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -20.203 -13.276 11.495 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -18.721 -13.896 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -18.016 -12.911 10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -19.184 -15.626 10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -17.569 -15.494 10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -18.435 -13.909 12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.788 -15.533 12.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -15.999 -14.035 13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -15.805 -14.707 11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.419 -13.133 11.645 1.00 0.00 H new ATOM 1822 N SER A 120 -22.837 -15.023 11.374 1.00 0.00 N ATOM 1823 CA SER A 120 -24.014 -15.037 12.235 1.00 0.00 C ATOM 1824 C SER A 120 -23.639 -15.424 13.662 1.00 0.00 C ATOM 1825 O SER A 120 -23.371 -16.590 13.951 1.00 0.00 O ATOM 1826 CB SER A 120 -25.060 -16.011 11.688 1.00 0.00 C ATOM 1827 OG SER A 120 -26.243 -15.978 12.466 1.00 0.00 O ATOM 0 H SER A 120 -22.304 -15.892 11.375 1.00 0.00 H new ATOM 0 HA SER A 120 -24.436 -14.032 12.249 1.00 0.00 H new ATOM 0 HB2 SER A 120 -25.294 -15.756 10.654 1.00 0.00 H new ATOM 0 HB3 SER A 120 -24.653 -17.022 11.683 1.00 0.00 H new ATOM 0 HG SER A 120 -26.896 -16.608 12.095 1.00 0.00 H new ATOM 1833 N SER A 121 -23.622 -14.436 14.551 1.00 0.00 N ATOM 1834 CA SER A 121 -23.277 -14.670 15.948 1.00 0.00 C ATOM 1835 C SER A 121 -24.386 -14.178 16.872 1.00 0.00 C ATOM 1836 O SER A 121 -24.875 -13.057 16.734 1.00 0.00 O ATOM 1837 CB SER A 121 -21.961 -13.970 16.294 1.00 0.00 C ATOM 1838 OG SER A 121 -21.296 -14.632 17.357 1.00 0.00 O ATOM 0 H SER A 121 -23.843 -13.466 14.328 1.00 0.00 H new ATOM 0 HA SER A 121 -23.158 -15.744 16.092 1.00 0.00 H new ATOM 0 HB2 SER A 121 -21.316 -13.946 15.416 1.00 0.00 H new ATOM 0 HB3 SER A 121 -22.158 -12.935 16.573 1.00 0.00 H new ATOM 0 HG SER A 121 -20.457 -14.167 17.558 1.00 0.00 H new ATOM 1844 N THR A 122 -24.781 -15.027 17.817 1.00 0.00 N ATOM 1845 CA THR A 122 -25.833 -14.681 18.764 1.00 0.00 C ATOM 1846 C THR A 122 -25.318 -13.722 19.832 1.00 0.00 C ATOM 1847 O THR A 122 -24.325 -14.000 20.503 1.00 0.00 O ATOM 1848 CB THR A 122 -26.406 -15.935 19.450 1.00 0.00 C ATOM 1849 OG1 THR A 122 -26.955 -16.823 18.470 1.00 0.00 O ATOM 1850 CG2 THR A 122 -27.481 -15.557 20.458 1.00 0.00 C ATOM 0 H THR A 122 -24.387 -15.959 17.946 1.00 0.00 H new ATOM 0 HA THR A 122 -26.624 -14.194 18.193 1.00 0.00 H new ATOM 0 HB THR A 122 -25.594 -16.435 19.978 1.00 0.00 H new ATOM 0 HG1 THR A 122 -27.316 -17.618 18.915 1.00 0.00 H new ATOM 0 HG21 THR A 122 -27.871 -16.459 20.930 1.00 0.00 H new ATOM 0 HG22 THR A 122 -27.053 -14.905 21.220 1.00 0.00 H new ATOM 0 HG23 THR A 122 -28.291 -15.035 19.948 1.00 0.00 H new ATOM 1858 N SER A 123 -26.002 -12.592 19.984 1.00 0.00 N ATOM 1859 CA SER A 123 -25.611 -11.590 20.969 1.00 0.00 C ATOM 1860 C SER A 123 -26.813 -10.755 21.401 1.00 0.00 C ATOM 1861 O SER A 123 -27.832 -10.712 20.713 1.00 0.00 O ATOM 1862 CB SER A 123 -24.523 -10.679 20.397 1.00 0.00 C ATOM 1863 OG SER A 123 -25.060 -9.778 19.445 1.00 0.00 O ATOM 0 H SER A 123 -26.828 -12.348 19.438 1.00 0.00 H new ATOM 0 HA SER A 123 -25.218 -12.110 21.843 1.00 0.00 H new ATOM 0 HB2 SER A 123 -24.051 -10.120 21.205 1.00 0.00 H new ATOM 0 HB3 SER A 123 -23.746 -11.284 19.931 1.00 0.00 H new ATOM 0 HG SER A 123 -24.345 -9.206 19.096 1.00 0.00 H new ATOM 1869 N GLY A 124 -26.685 -10.092 22.546 1.00 0.00 N ATOM 1870 CA GLY A 124 -27.767 -9.267 23.051 1.00 0.00 C ATOM 1871 C GLY A 124 -27.492 -7.786 22.888 1.00 0.00 C ATOM 1872 O GLY A 124 -26.343 -7.342 22.889 1.00 0.00 O ATOM 0 H GLY A 124 -25.851 -10.111 23.133 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -28.689 -9.522 22.528 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -27.927 -9.490 24.106 1.00 0.00 H new ATOM 1876 N PRO A 125 -28.564 -6.993 22.741 1.00 0.00 N ATOM 1877 CA PRO A 125 -28.458 -5.541 22.572 1.00 0.00 C ATOM 1878 C PRO A 125 -27.993 -4.842 23.844 1.00 0.00 C ATOM 1879 O PRO A 125 -28.707 -4.818 24.847 1.00 0.00 O ATOM 1880 CB PRO A 125 -29.887 -5.119 22.221 1.00 0.00 C ATOM 1881 CG PRO A 125 -30.751 -6.176 22.817 1.00 0.00 C ATOM 1882 CD PRO A 125 -29.962 -7.454 22.729 1.00 0.00 C ATOM 0 HA PRO A 125 -27.722 -5.272 21.815 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -30.122 -4.137 22.632 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -30.027 -5.055 21.142 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -30.998 -5.940 23.852 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -31.693 -6.261 22.276 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -30.174 -8.116 23.569 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -30.195 -8.008 21.820 1.00 0.00 H new ATOM 1890 N SER A 126 -26.792 -4.273 23.797 1.00 0.00 N ATOM 1891 CA SER A 126 -26.231 -3.575 24.948 1.00 0.00 C ATOM 1892 C SER A 126 -25.697 -2.204 24.544 1.00 0.00 C ATOM 1893 O SER A 126 -24.891 -2.087 23.621 1.00 0.00 O ATOM 1894 CB SER A 126 -25.112 -4.406 25.578 1.00 0.00 C ATOM 1895 OG SER A 126 -23.930 -4.346 24.798 1.00 0.00 O ATOM 0 H SER A 126 -26.189 -4.282 22.974 1.00 0.00 H new ATOM 0 HA SER A 126 -27.026 -3.434 25.680 1.00 0.00 H new ATOM 0 HB2 SER A 126 -24.906 -4.041 26.584 1.00 0.00 H new ATOM 0 HB3 SER A 126 -25.435 -5.442 25.675 1.00 0.00 H new ATOM 0 HG SER A 126 -24.008 -3.623 24.141 1.00 0.00 H new ATOM 1901 N SER A 127 -26.152 -1.170 25.244 1.00 0.00 N ATOM 1902 CA SER A 127 -25.723 0.194 24.957 1.00 0.00 C ATOM 1903 C SER A 127 -24.408 0.510 25.663 1.00 0.00 C ATOM 1904 O SER A 127 -24.125 -0.017 26.738 1.00 0.00 O ATOM 1905 CB SER A 127 -26.800 1.191 25.391 1.00 0.00 C ATOM 1906 OG SER A 127 -27.899 1.175 24.497 1.00 0.00 O ATOM 0 H SER A 127 -26.817 -1.250 26.013 1.00 0.00 H new ATOM 0 HA SER A 127 -25.568 0.281 23.882 1.00 0.00 H new ATOM 0 HB2 SER A 127 -27.142 0.947 26.397 1.00 0.00 H new ATOM 0 HB3 SER A 127 -26.376 2.194 25.433 1.00 0.00 H new ATOM 0 HG SER A 127 -28.574 1.819 24.797 1.00 0.00 H new ATOM 1912 N GLY A 128 -23.606 1.375 25.048 1.00 0.00 N ATOM 1913 CA GLY A 128 -22.330 1.747 25.630 1.00 0.00 C ATOM 1914 C GLY A 128 -21.156 1.141 24.888 1.00 0.00 C ATOM 1915 O GLY A 128 -21.173 -0.040 24.544 1.00 0.00 O ATOM 0 H GLY A 128 -23.818 1.824 24.157 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -22.236 2.833 25.628 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -22.302 1.427 26.672 1.00 0.00 H new TER 1919 GLY A 128