USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 930 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 57 TYR OH : rot 18:sc= 0.136 USER MOD Set 1.2: A 97 GLN : amide:sc= 0.12 K(o=0.26,f=-0.4) USER MOD Set 2.1: A 87 THR OG1 : rot 137:sc= 1.21 USER MOD Set 2.2: A 92 TYR OH : rot 180:sc= 1.09 USER MOD Set 3.1: A 40 ASN : amide:sc= -0.0445 X(o=-1,f=-1) USER MOD Set 3.2: A 80 THR OG1 : rot 121:sc= 0.0142 USER MOD Set 3.3: A 82 GLN : amide:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -53:sc= 0.0577 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00721 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -53:sc= 0.752 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 12 THR OG1 : rot 33:sc= 0.718 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -49:sc= 1.18 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0547 USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.23 (180deg=-0.688) USER MOD Single : A 26 THR OG1 : rot 14:sc= 0.862 USER MOD Single : A 29 SER OG : rot -150:sc= -0.0546 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= -0.823! (180deg=-0.823!) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0136) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.937 USER MOD Single : A 42 GLN : amide:sc= -2.62 K(o=-2.6,f=-11!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.818 X(o=-0.82,f=-0.85) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00388) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0397 USER MOD Single : A 54 TYR OH : rot 0:sc= -0.468 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -7.85! C(o=-7.8!,f=-8.7!) USER MOD Single : A 77 ASN : amide:sc= 0.114 K(o=0.11,f=-5.1!) USER MOD Single : A 81 HIS : no HD1:sc= -0.0288 X(o=-0.029,f=-0.16) USER MOD Single : A 84 GLN : amide:sc= -0.0313 K(o=-0.031,f=-1.3) USER MOD Single : A 90 THR OG1 : rot 70:sc= 0.553 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -8.33! C(o=-8.3!,f=-17!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -144:sc= -0.384 (180deg=-2.63!) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 157:sc= 0 (180deg=-0.155) USER MOD Single : A 108 SER OG : rot 180:sc= -0.62! USER MOD Single : A 112 GLN : amide:sc= -0.0608 K(o=-0.061,f=-1.7!) USER MOD Single : A 115 THR OG1 : rot -88:sc= 2.13 USER MOD Single : A 117 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.833) USER MOD Single : A 119 SER OG : rot 180:sc= -0.2 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.512 -9.916 -18.706 1.00 0.00 N ATOM 2 CA GLY A 1 -30.415 -10.034 -17.764 1.00 0.00 C ATOM 3 C GLY A 1 -30.200 -8.766 -16.962 1.00 0.00 C ATOM 4 O GLY A 1 -29.694 -7.773 -17.483 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.618 -10.809 -19.229 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.392 -9.710 -18.191 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.314 -9.144 -19.375 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.613 -10.862 -17.083 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.500 -10.278 -18.305 1.00 0.00 H new ATOM 8 N SER A 2 -30.588 -8.798 -15.691 1.00 0.00 N ATOM 9 CA SER A 2 -30.440 -7.641 -14.817 1.00 0.00 C ATOM 10 C SER A 2 -30.984 -6.382 -15.487 1.00 0.00 C ATOM 11 O SER A 2 -30.378 -5.313 -15.408 1.00 0.00 O ATOM 12 CB SER A 2 -28.970 -7.440 -14.445 1.00 0.00 C ATOM 13 OG SER A 2 -28.841 -6.612 -13.303 1.00 0.00 O ATOM 0 H SER A 2 -31.007 -9.613 -15.244 1.00 0.00 H new ATOM 0 HA SER A 2 -31.014 -7.826 -13.909 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.505 -8.407 -14.251 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.437 -6.993 -15.284 1.00 0.00 H new ATOM 0 HG SER A 2 -29.328 -5.774 -13.450 1.00 0.00 H new ATOM 19 N SER A 3 -32.130 -6.517 -16.145 1.00 0.00 N ATOM 20 CA SER A 3 -32.754 -5.393 -16.832 1.00 0.00 C ATOM 21 C SER A 3 -33.196 -4.325 -15.836 1.00 0.00 C ATOM 22 O SER A 3 -34.153 -4.515 -15.087 1.00 0.00 O ATOM 23 CB SER A 3 -33.956 -5.871 -17.650 1.00 0.00 C ATOM 24 OG SER A 3 -34.630 -4.779 -18.252 1.00 0.00 O ATOM 0 H SER A 3 -32.646 -7.394 -16.217 1.00 0.00 H new ATOM 0 HA SER A 3 -32.016 -4.956 -17.505 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.622 -6.566 -18.421 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.645 -6.417 -17.005 1.00 0.00 H new ATOM 0 HG SER A 3 -35.393 -5.111 -18.770 1.00 0.00 H new ATOM 30 N GLY A 4 -32.489 -3.198 -15.834 1.00 0.00 N ATOM 31 CA GLY A 4 -32.821 -2.116 -14.927 1.00 0.00 C ATOM 32 C GLY A 4 -32.129 -2.251 -13.585 1.00 0.00 C ATOM 33 O GLY A 4 -31.454 -3.246 -13.324 1.00 0.00 O ATOM 0 H GLY A 4 -31.693 -3.016 -16.445 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.542 -1.166 -15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.900 -2.092 -14.775 1.00 0.00 H new ATOM 37 N SER A 5 -32.296 -1.246 -12.731 1.00 0.00 N ATOM 38 CA SER A 5 -31.677 -1.254 -11.411 1.00 0.00 C ATOM 39 C SER A 5 -32.726 -1.074 -10.318 1.00 0.00 C ATOM 40 O SER A 5 -32.736 -1.802 -9.325 1.00 0.00 O ATOM 41 CB SER A 5 -30.625 -0.148 -11.310 1.00 0.00 C ATOM 42 OG SER A 5 -31.188 1.119 -11.604 1.00 0.00 O ATOM 0 H SER A 5 -32.855 -0.416 -12.930 1.00 0.00 H new ATOM 0 HA SER A 5 -31.192 -2.220 -11.271 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.200 -0.137 -10.306 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.807 -0.355 -12.000 1.00 0.00 H new ATOM 0 HG SER A 5 -30.496 1.809 -11.531 1.00 0.00 H new ATOM 48 N SER A 6 -33.609 -0.099 -10.508 1.00 0.00 N ATOM 49 CA SER A 6 -34.661 0.180 -9.538 1.00 0.00 C ATOM 50 C SER A 6 -36.024 -0.241 -10.079 1.00 0.00 C ATOM 51 O SER A 6 -36.141 -0.692 -11.217 1.00 0.00 O ATOM 52 CB SER A 6 -34.677 1.669 -9.186 1.00 0.00 C ATOM 53 OG SER A 6 -33.642 1.988 -8.272 1.00 0.00 O ATOM 0 H SER A 6 -33.617 0.511 -11.325 1.00 0.00 H new ATOM 0 HA SER A 6 -34.453 -0.397 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.561 2.262 -10.093 1.00 0.00 H new ATOM 0 HB3 SER A 6 -35.642 1.933 -8.754 1.00 0.00 H new ATOM 0 HG SER A 6 -33.673 2.945 -8.064 1.00 0.00 H new ATOM 59 N GLY A 7 -37.055 -0.089 -9.252 1.00 0.00 N ATOM 60 CA GLY A 7 -38.396 -0.458 -9.663 1.00 0.00 C ATOM 61 C GLY A 7 -39.434 -0.148 -8.603 1.00 0.00 C ATOM 62 O GLY A 7 -39.702 -0.969 -7.725 1.00 0.00 O ATOM 0 H GLY A 7 -36.984 0.283 -8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -38.650 0.072 -10.581 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -38.422 -1.523 -9.892 1.00 0.00 H new ATOM 66 N THR A 8 -40.020 1.043 -8.681 1.00 0.00 N ATOM 67 CA THR A 8 -41.032 1.462 -7.718 1.00 0.00 C ATOM 68 C THR A 8 -40.696 0.965 -6.317 1.00 0.00 C ATOM 69 O THR A 8 -41.586 0.612 -5.544 1.00 0.00 O ATOM 70 CB THR A 8 -42.429 0.946 -8.112 1.00 0.00 C ATOM 71 OG1 THR A 8 -43.421 1.511 -7.248 1.00 0.00 O ATOM 72 CG2 THR A 8 -42.487 -0.572 -8.036 1.00 0.00 C ATOM 0 H THR A 8 -39.811 1.735 -9.401 1.00 0.00 H new ATOM 0 HA THR A 8 -41.041 2.552 -7.722 1.00 0.00 H new ATOM 0 HB THR A 8 -42.628 1.249 -9.140 1.00 0.00 H new ATOM 0 HG1 THR A 8 -43.173 1.347 -6.314 1.00 0.00 H new ATOM 0 HG21 THR A 8 -43.483 -0.913 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 8 -41.751 -0.999 -8.717 1.00 0.00 H new ATOM 0 HG23 THR A 8 -42.269 -0.894 -7.018 1.00 0.00 H new ATOM 80 N ALA A 9 -39.407 0.942 -5.995 1.00 0.00 N ATOM 81 CA ALA A 9 -38.954 0.491 -4.685 1.00 0.00 C ATOM 82 C ALA A 9 -38.246 1.613 -3.933 1.00 0.00 C ATOM 83 O ALA A 9 -37.709 2.539 -4.541 1.00 0.00 O ATOM 84 CB ALA A 9 -38.034 -0.712 -4.829 1.00 0.00 C ATOM 0 H ALA A 9 -38.658 1.231 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 9 -39.830 0.197 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -37.704 -1.038 -3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -38.571 -1.524 -5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -37.167 -0.437 -5.430 1.00 0.00 H new ATOM 90 N HIS A 10 -38.250 1.524 -2.607 1.00 0.00 N ATOM 91 CA HIS A 10 -37.608 2.533 -1.771 1.00 0.00 C ATOM 92 C HIS A 10 -36.113 2.258 -1.640 1.00 0.00 C ATOM 93 O HIS A 10 -35.548 2.351 -0.551 1.00 0.00 O ATOM 94 CB HIS A 10 -38.256 2.567 -0.387 1.00 0.00 C ATOM 95 CG HIS A 10 -39.752 2.510 -0.425 1.00 0.00 C ATOM 96 ND1 HIS A 10 -40.514 3.284 -1.275 1.00 0.00 N ATOM 97 CD2 HIS A 10 -40.628 1.764 0.289 1.00 0.00 C ATOM 98 CE1 HIS A 10 -41.793 3.018 -1.082 1.00 0.00 C ATOM 99 NE2 HIS A 10 -41.890 2.098 -0.138 1.00 0.00 N ATOM 0 H HIS A 10 -38.690 0.764 -2.088 1.00 0.00 H new ATOM 0 HA HIS A 10 -37.740 3.504 -2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -37.883 1.728 0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -37.948 3.478 0.127 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -40.380 1.041 1.052 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -42.619 3.475 -1.606 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -42.760 1.701 0.216 1.00 0.00 H new ATOM 108 N GLY A 11 -35.478 1.917 -2.757 1.00 0.00 N ATOM 109 CA GLY A 11 -34.055 1.633 -2.744 1.00 0.00 C ATOM 110 C GLY A 11 -33.761 0.147 -2.683 1.00 0.00 C ATOM 111 O GLY A 11 -34.678 -0.676 -2.673 1.00 0.00 O ATOM 0 H GLY A 11 -35.924 1.832 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -33.595 2.055 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -33.597 2.126 -1.887 1.00 0.00 H new ATOM 115 N THR A 12 -32.478 -0.200 -2.642 1.00 0.00 N ATOM 116 CA THR A 12 -32.066 -1.597 -2.584 1.00 0.00 C ATOM 117 C THR A 12 -30.970 -1.804 -1.546 1.00 0.00 C ATOM 118 O THR A 12 -29.852 -1.310 -1.699 1.00 0.00 O ATOM 119 CB THR A 12 -31.560 -2.090 -3.953 1.00 0.00 C ATOM 120 OG1 THR A 12 -30.421 -1.325 -4.360 1.00 0.00 O ATOM 121 CG2 THR A 12 -32.653 -1.981 -5.006 1.00 0.00 C ATOM 0 H THR A 12 -31.707 0.467 -2.648 1.00 0.00 H new ATOM 0 HA THR A 12 -32.946 -2.175 -2.300 1.00 0.00 H new ATOM 0 HB THR A 12 -31.276 -3.138 -3.854 1.00 0.00 H new ATOM 0 HG1 THR A 12 -29.904 -1.062 -3.570 1.00 0.00 H new ATOM 0 HG21 THR A 12 -32.272 -2.335 -5.964 1.00 0.00 H new ATOM 0 HG22 THR A 12 -33.507 -2.589 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 12 -32.964 -0.941 -5.101 1.00 0.00 H new ATOM 129 N THR A 13 -31.295 -2.538 -0.486 1.00 0.00 N ATOM 130 CA THR A 13 -30.338 -2.810 0.579 1.00 0.00 C ATOM 131 C THR A 13 -29.141 -3.595 0.055 1.00 0.00 C ATOM 132 O THR A 13 -27.992 -3.210 0.270 1.00 0.00 O ATOM 133 CB THR A 13 -30.989 -3.598 1.731 1.00 0.00 C ATOM 134 OG1 THR A 13 -32.114 -2.875 2.245 1.00 0.00 O ATOM 135 CG2 THR A 13 -29.988 -3.848 2.849 1.00 0.00 C ATOM 0 H THR A 13 -32.215 -2.955 -0.343 1.00 0.00 H new ATOM 0 HA THR A 13 -30.000 -1.844 0.954 1.00 0.00 H new ATOM 0 HB THR A 13 -31.322 -4.560 1.341 1.00 0.00 H new ATOM 0 HG1 THR A 13 -32.523 -3.383 2.976 1.00 0.00 H new ATOM 0 HG21 THR A 13 -30.471 -4.406 3.651 1.00 0.00 H new ATOM 0 HG22 THR A 13 -29.147 -4.423 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 13 -29.629 -2.894 3.236 1.00 0.00 H new ATOM 143 N PHE A 14 -29.417 -4.697 -0.634 1.00 0.00 N ATOM 144 CA PHE A 14 -28.362 -5.536 -1.189 1.00 0.00 C ATOM 145 C PHE A 14 -27.236 -4.684 -1.768 1.00 0.00 C ATOM 146 O PHE A 14 -27.480 -3.760 -2.544 1.00 0.00 O ATOM 147 CB PHE A 14 -28.929 -6.455 -2.273 1.00 0.00 C ATOM 148 CG PHE A 14 -28.067 -7.653 -2.555 1.00 0.00 C ATOM 149 CD1 PHE A 14 -28.190 -8.805 -1.796 1.00 0.00 C ATOM 150 CD2 PHE A 14 -27.134 -7.625 -3.579 1.00 0.00 C ATOM 151 CE1 PHE A 14 -27.397 -9.908 -2.054 1.00 0.00 C ATOM 152 CE2 PHE A 14 -26.339 -8.725 -3.842 1.00 0.00 C ATOM 153 CZ PHE A 14 -26.472 -9.868 -3.078 1.00 0.00 C ATOM 0 H PHE A 14 -30.363 -5.030 -0.821 1.00 0.00 H new ATOM 0 HA PHE A 14 -27.955 -6.145 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -29.920 -6.794 -1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -29.055 -5.884 -3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -28.913 -8.842 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -27.027 -6.733 -4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -27.501 -10.800 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.616 -8.691 -4.643 1.00 0.00 H new ATOM 0 HZ PHE A 14 -25.853 -10.729 -3.281 1.00 0.00 H new ATOM 163 N GLU A 15 -26.004 -5.000 -1.382 1.00 0.00 N ATOM 164 CA GLU A 15 -24.841 -4.263 -1.861 1.00 0.00 C ATOM 165 C GLU A 15 -24.036 -5.100 -2.851 1.00 0.00 C ATOM 166 O GLU A 15 -24.215 -6.315 -2.944 1.00 0.00 O ATOM 167 CB GLU A 15 -23.954 -3.847 -0.686 1.00 0.00 C ATOM 168 CG GLU A 15 -23.192 -2.555 -0.926 1.00 0.00 C ATOM 169 CD GLU A 15 -24.087 -1.432 -1.415 1.00 0.00 C ATOM 170 OE1 GLU A 15 -24.840 -0.872 -0.591 1.00 0.00 O ATOM 171 OE2 GLU A 15 -24.035 -1.114 -2.622 1.00 0.00 O ATOM 0 H GLU A 15 -25.786 -5.761 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 15 -25.195 -3.368 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -24.574 -3.734 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -23.242 -4.646 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -22.703 -2.249 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.405 -2.733 -1.659 1.00 0.00 H new ATOM 178 N LEU A 16 -23.148 -4.441 -3.588 1.00 0.00 N ATOM 179 CA LEU A 16 -22.314 -5.124 -4.571 1.00 0.00 C ATOM 180 C LEU A 16 -20.859 -4.681 -4.452 1.00 0.00 C ATOM 181 O LEU A 16 -20.538 -3.509 -4.648 1.00 0.00 O ATOM 182 CB LEU A 16 -22.829 -4.847 -5.985 1.00 0.00 C ATOM 183 CG LEU A 16 -24.330 -5.038 -6.202 1.00 0.00 C ATOM 184 CD1 LEU A 16 -24.766 -4.398 -7.511 1.00 0.00 C ATOM 185 CD2 LEU A 16 -24.689 -6.517 -6.183 1.00 0.00 C ATOM 0 H LEU A 16 -22.987 -3.436 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 16 -22.366 -6.195 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.572 -3.821 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -22.296 -5.498 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.860 -4.546 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.837 -4.544 -7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -24.546 -3.331 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -24.228 -4.860 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.762 -6.633 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -24.149 -7.033 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -24.414 -6.946 -5.219 1.00 0.00 H new ATOM 197 N VAL A 17 -19.982 -5.628 -4.132 1.00 0.00 N ATOM 198 CA VAL A 17 -18.561 -5.337 -3.991 1.00 0.00 C ATOM 199 C VAL A 17 -17.998 -4.712 -5.262 1.00 0.00 C ATOM 200 O VAL A 17 -18.430 -5.014 -6.375 1.00 0.00 O ATOM 201 CB VAL A 17 -17.758 -6.608 -3.657 1.00 0.00 C ATOM 202 CG1 VAL A 17 -18.050 -7.068 -2.237 1.00 0.00 C ATOM 203 CG2 VAL A 17 -18.068 -7.711 -4.658 1.00 0.00 C ATOM 0 H VAL A 17 -20.231 -6.603 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.464 -4.628 -3.168 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.696 -6.374 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.473 -7.967 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.773 -6.281 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -19.113 -7.286 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.492 -8.602 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -19.132 -7.945 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.802 -7.377 -5.661 1.00 0.00 H new ATOM 213 N PRO A 18 -17.010 -3.820 -5.097 1.00 0.00 N ATOM 214 CA PRO A 18 -16.365 -3.135 -6.221 1.00 0.00 C ATOM 215 C PRO A 18 -15.507 -4.077 -7.059 1.00 0.00 C ATOM 216 O PRO A 18 -14.439 -4.511 -6.627 1.00 0.00 O ATOM 217 CB PRO A 18 -15.491 -2.080 -5.539 1.00 0.00 C ATOM 218 CG PRO A 18 -15.219 -2.633 -4.183 1.00 0.00 C ATOM 219 CD PRO A 18 -16.445 -3.413 -3.799 1.00 0.00 C ATOM 0 HA PRO A 18 -17.094 -2.720 -6.917 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.566 -1.914 -6.092 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.003 -1.120 -5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.337 -3.273 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.025 -1.834 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.195 -4.276 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.146 -2.804 -3.228 1.00 0.00 H new ATOM 227 N THR A 19 -15.981 -4.389 -8.262 1.00 0.00 N ATOM 228 CA THR A 19 -15.257 -5.280 -9.160 1.00 0.00 C ATOM 229 C THR A 19 -14.276 -4.504 -10.031 1.00 0.00 C ATOM 230 O THR A 19 -13.785 -5.015 -11.037 1.00 0.00 O ATOM 231 CB THR A 19 -16.222 -6.066 -10.068 1.00 0.00 C ATOM 232 OG1 THR A 19 -15.486 -6.979 -10.890 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.028 -5.122 -10.947 1.00 0.00 C ATOM 0 H THR A 19 -16.863 -4.038 -8.636 1.00 0.00 H new ATOM 0 HA THR A 19 -14.706 -5.982 -8.534 1.00 0.00 H new ATOM 0 HB THR A 19 -16.911 -6.623 -9.433 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.743 -6.506 -11.320 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.702 -5.700 -11.579 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.609 -4.447 -10.319 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.351 -4.542 -11.574 1.00 0.00 H new ATOM 241 N SER A 20 -13.993 -3.266 -9.638 1.00 0.00 N ATOM 242 CA SER A 20 -13.072 -2.418 -10.385 1.00 0.00 C ATOM 243 C SER A 20 -11.913 -1.966 -9.502 1.00 0.00 C ATOM 244 O SER A 20 -12.093 -1.574 -8.349 1.00 0.00 O ATOM 245 CB SER A 20 -13.808 -1.198 -10.944 1.00 0.00 C ATOM 246 OG SER A 20 -12.960 -0.431 -11.781 1.00 0.00 O ATOM 0 H SER A 20 -14.389 -2.828 -8.806 1.00 0.00 H new ATOM 0 HA SER A 20 -12.670 -3.002 -11.213 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.683 -1.523 -11.507 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.170 -0.580 -10.123 1.00 0.00 H new ATOM 0 HG SER A 20 -13.454 0.342 -12.127 1.00 0.00 H new ATOM 252 N PRO A 21 -10.692 -2.020 -10.056 1.00 0.00 N ATOM 253 CA PRO A 21 -9.479 -1.620 -9.339 1.00 0.00 C ATOM 254 C PRO A 21 -9.413 -0.114 -9.105 1.00 0.00 C ATOM 255 O PRO A 21 -10.165 0.663 -9.693 1.00 0.00 O ATOM 256 CB PRO A 21 -8.351 -2.066 -10.272 1.00 0.00 C ATOM 257 CG PRO A 21 -8.966 -2.082 -11.629 1.00 0.00 C ATOM 258 CD PRO A 21 -10.404 -2.476 -11.427 1.00 0.00 C ATOM 0 HA PRO A 21 -9.429 -2.064 -8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.506 -1.379 -10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.975 -3.051 -9.996 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.892 -1.103 -12.102 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.455 -2.791 -12.281 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.058 -1.997 -12.156 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.545 -3.552 -11.531 1.00 0.00 H new ATOM 266 N PRO A 22 -8.492 0.310 -8.227 1.00 0.00 N ATOM 267 CA PRO A 22 -8.305 1.726 -7.897 1.00 0.00 C ATOM 268 C PRO A 22 -7.708 2.517 -9.055 1.00 0.00 C ATOM 269 O PRO A 22 -7.180 1.942 -10.008 1.00 0.00 O ATOM 270 CB PRO A 22 -7.333 1.690 -6.716 1.00 0.00 C ATOM 271 CG PRO A 22 -6.588 0.409 -6.877 1.00 0.00 C ATOM 272 CD PRO A 22 -7.561 -0.561 -7.489 1.00 0.00 C ATOM 0 HA PRO A 22 -9.250 2.220 -7.673 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.658 2.545 -6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.864 1.722 -5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.715 0.543 -7.517 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.226 0.045 -5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.061 -1.268 -8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.076 -1.147 -6.728 1.00 0.00 H new ATOM 280 N LYS A 23 -7.793 3.840 -8.968 1.00 0.00 N ATOM 281 CA LYS A 23 -7.259 4.712 -10.008 1.00 0.00 C ATOM 282 C LYS A 23 -6.316 5.754 -9.413 1.00 0.00 C ATOM 283 O LYS A 23 -6.129 5.814 -8.198 1.00 0.00 O ATOM 284 CB LYS A 23 -8.400 5.408 -10.754 1.00 0.00 C ATOM 285 CG LYS A 23 -9.653 4.560 -10.876 1.00 0.00 C ATOM 286 CD LYS A 23 -10.691 5.223 -11.767 1.00 0.00 C ATOM 287 CE LYS A 23 -11.355 6.399 -11.068 1.00 0.00 C ATOM 288 NZ LYS A 23 -12.550 5.978 -10.287 1.00 0.00 N ATOM 0 H LYS A 23 -8.227 4.332 -8.187 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.696 4.097 -10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.648 6.335 -10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.057 5.681 -11.752 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.394 3.583 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.077 4.391 -9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.217 5.565 -12.687 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.448 4.492 -12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.637 6.878 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.649 7.143 -11.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.088 6.819 -9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.152 5.368 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.245 5.452 -9.443 1.00 0.00 H new ATOM 302 N ASP A 24 -5.726 6.572 -10.278 1.00 0.00 N ATOM 303 CA ASP A 24 -4.804 7.613 -9.837 1.00 0.00 C ATOM 304 C ASP A 24 -3.721 7.033 -8.933 1.00 0.00 C ATOM 305 O ASP A 24 -3.368 7.623 -7.912 1.00 0.00 O ATOM 306 CB ASP A 24 -5.563 8.718 -9.101 1.00 0.00 C ATOM 307 CG ASP A 24 -6.106 9.774 -10.043 1.00 0.00 C ATOM 308 OD1 ASP A 24 -5.338 10.686 -10.416 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.298 9.691 -10.406 1.00 0.00 O ATOM 0 H ASP A 24 -5.869 6.535 -11.287 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.326 8.038 -10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.387 8.277 -8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.900 9.189 -8.375 1.00 0.00 H new ATOM 314 N VAL A 25 -3.198 5.872 -9.315 1.00 0.00 N ATOM 315 CA VAL A 25 -2.155 5.212 -8.539 1.00 0.00 C ATOM 316 C VAL A 25 -0.824 5.942 -8.674 1.00 0.00 C ATOM 317 O VAL A 25 -0.176 5.889 -9.721 1.00 0.00 O ATOM 318 CB VAL A 25 -1.971 3.747 -8.978 1.00 0.00 C ATOM 319 CG1 VAL A 25 -0.728 3.149 -8.338 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.205 2.928 -8.632 1.00 0.00 C ATOM 0 H VAL A 25 -3.480 5.369 -10.157 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.474 5.234 -7.497 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.840 3.725 -10.060 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.615 2.114 -8.660 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.149 3.721 -8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.825 3.183 -7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.057 1.896 -8.949 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.370 2.956 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.073 3.344 -9.143 1.00 0.00 H new ATOM 330 N THR A 26 -0.419 6.625 -7.608 1.00 0.00 N ATOM 331 CA THR A 26 0.836 7.367 -7.607 1.00 0.00 C ATOM 332 C THR A 26 1.696 6.991 -6.407 1.00 0.00 C ATOM 333 O THR A 26 1.191 6.816 -5.298 1.00 0.00 O ATOM 334 CB THR A 26 0.588 8.888 -7.590 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.457 9.204 -6.664 1.00 0.00 O ATOM 336 CG2 THR A 26 0.214 9.391 -8.976 1.00 0.00 C ATOM 0 H THR A 26 -0.942 6.680 -6.734 1.00 0.00 H new ATOM 0 HA THR A 26 1.362 7.101 -8.524 1.00 0.00 H new ATOM 0 HB THR A 26 1.509 9.380 -7.279 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.626 8.431 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.044 10.467 -8.939 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.025 9.176 -9.672 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.695 8.891 -9.311 1.00 0.00 H new ATOM 344 N VAL A 27 3.000 6.867 -6.635 1.00 0.00 N ATOM 345 CA VAL A 27 3.932 6.513 -5.571 1.00 0.00 C ATOM 346 C VAL A 27 5.117 7.472 -5.536 1.00 0.00 C ATOM 347 O VAL A 27 5.931 7.504 -6.459 1.00 0.00 O ATOM 348 CB VAL A 27 4.456 5.074 -5.740 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.294 4.666 -4.538 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.299 4.108 -5.946 1.00 0.00 C ATOM 0 H VAL A 27 3.435 7.007 -7.547 1.00 0.00 H new ATOM 0 HA VAL A 27 3.382 6.585 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 27 5.092 5.038 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.655 3.647 -4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.143 5.342 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.685 4.716 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.686 3.096 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.636 4.145 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.744 4.390 -6.841 1.00 0.00 H new ATOM 360 N VAL A 28 5.208 8.253 -4.464 1.00 0.00 N ATOM 361 CA VAL A 28 6.294 9.212 -4.307 1.00 0.00 C ATOM 362 C VAL A 28 7.129 8.900 -3.070 1.00 0.00 C ATOM 363 O VAL A 28 6.744 8.076 -2.241 1.00 0.00 O ATOM 364 CB VAL A 28 5.759 10.653 -4.201 1.00 0.00 C ATOM 365 CG1 VAL A 28 5.059 11.059 -5.489 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.822 10.786 -3.010 1.00 0.00 C ATOM 0 H VAL A 28 4.542 8.240 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 28 6.920 9.129 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 28 6.603 11.326 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.688 12.080 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.763 11.004 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.223 10.385 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.453 11.810 -2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.981 10.104 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.360 10.540 -2.095 1.00 0.00 H new ATOM 376 N SER A 29 8.275 9.563 -2.954 1.00 0.00 N ATOM 377 CA SER A 29 9.168 9.354 -1.820 1.00 0.00 C ATOM 378 C SER A 29 9.160 10.564 -0.892 1.00 0.00 C ATOM 379 O SER A 29 9.050 11.705 -1.341 1.00 0.00 O ATOM 380 CB SER A 29 10.591 9.080 -2.308 1.00 0.00 C ATOM 381 OG SER A 29 11.521 9.166 -1.242 1.00 0.00 O ATOM 0 H SER A 29 8.607 10.249 -3.631 1.00 0.00 H new ATOM 0 HA SER A 29 8.810 8.488 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.640 8.089 -2.758 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.857 9.797 -3.085 1.00 0.00 H new ATOM 0 HG SER A 29 12.389 9.462 -1.588 1.00 0.00 H new ATOM 387 N LYS A 30 9.277 10.307 0.407 1.00 0.00 N ATOM 388 CA LYS A 30 9.285 11.374 1.401 1.00 0.00 C ATOM 389 C LYS A 30 10.373 12.397 1.092 1.00 0.00 C ATOM 390 O LYS A 30 11.395 12.067 0.490 1.00 0.00 O ATOM 391 CB LYS A 30 9.498 10.793 2.800 1.00 0.00 C ATOM 392 CG LYS A 30 9.272 11.798 3.917 1.00 0.00 C ATOM 393 CD LYS A 30 7.838 11.760 4.418 1.00 0.00 C ATOM 394 CE LYS A 30 7.686 10.819 5.603 1.00 0.00 C ATOM 395 NZ LYS A 30 6.329 10.208 5.656 1.00 0.00 N ATOM 0 H LYS A 30 9.368 9.368 0.796 1.00 0.00 H new ATOM 0 HA LYS A 30 8.318 11.877 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.823 9.949 2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.514 10.404 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.952 11.586 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.507 12.800 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.526 12.764 4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.178 11.441 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.437 10.031 5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.875 11.365 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.266 9.573 6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.614 10.958 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.158 9.665 4.785 1.00 0.00 H new ATOM 409 N GLU A 31 10.148 13.639 1.509 1.00 0.00 N ATOM 410 CA GLU A 31 11.111 14.709 1.277 1.00 0.00 C ATOM 411 C GLU A 31 12.145 14.763 2.398 1.00 0.00 C ATOM 412 O GLU A 31 12.036 15.570 3.320 1.00 0.00 O ATOM 413 CB GLU A 31 10.393 16.056 1.166 1.00 0.00 C ATOM 414 CG GLU A 31 11.337 17.240 1.044 1.00 0.00 C ATOM 415 CD GLU A 31 10.642 18.567 1.285 1.00 0.00 C ATOM 416 OE1 GLU A 31 10.358 18.883 2.459 1.00 0.00 O ATOM 417 OE2 GLU A 31 10.384 19.288 0.299 1.00 0.00 O ATOM 0 H GLU A 31 9.308 13.929 2.009 1.00 0.00 H new ATOM 0 HA GLU A 31 11.627 14.502 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.734 16.037 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.761 16.195 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.152 17.126 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.784 17.243 0.050 1.00 0.00 H new ATOM 424 N GLY A 32 13.149 13.896 2.311 1.00 0.00 N ATOM 425 CA GLY A 32 14.189 13.860 3.323 1.00 0.00 C ATOM 426 C GLY A 32 14.499 12.450 3.785 1.00 0.00 C ATOM 427 O GLY A 32 15.601 12.173 4.260 1.00 0.00 O ATOM 0 H GLY A 32 13.261 13.218 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.095 14.316 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.880 14.460 4.179 1.00 0.00 H new ATOM 431 N LYS A 33 13.526 11.557 3.648 1.00 0.00 N ATOM 432 CA LYS A 33 13.699 10.167 4.056 1.00 0.00 C ATOM 433 C LYS A 33 13.390 9.219 2.901 1.00 0.00 C ATOM 434 O LYS A 33 12.245 9.081 2.470 1.00 0.00 O ATOM 435 CB LYS A 33 12.796 9.847 5.248 1.00 0.00 C ATOM 436 CG LYS A 33 13.459 8.970 6.296 1.00 0.00 C ATOM 437 CD LYS A 33 13.225 7.495 6.018 1.00 0.00 C ATOM 438 CE LYS A 33 13.149 6.690 7.306 1.00 0.00 C ATOM 439 NZ LYS A 33 14.429 6.738 8.066 1.00 0.00 N ATOM 0 H LYS A 33 12.608 11.770 3.257 1.00 0.00 H new ATOM 0 HA LYS A 33 14.739 10.028 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.480 10.780 5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.895 9.350 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.530 9.172 6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.069 9.222 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.299 7.372 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.031 7.109 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.342 7.076 7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.904 5.654 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.360 6.123 8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.206 6.409 7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.616 7.715 8.369 1.00 0.00 H new ATOM 453 N PRO A 34 14.433 8.549 2.389 1.00 0.00 N ATOM 454 CA PRO A 34 14.296 7.601 1.280 1.00 0.00 C ATOM 455 C PRO A 34 13.556 6.332 1.689 1.00 0.00 C ATOM 456 O PRO A 34 12.727 5.815 0.940 1.00 0.00 O ATOM 457 CB PRO A 34 15.746 7.278 0.909 1.00 0.00 C ATOM 458 CG PRO A 34 16.521 7.529 2.156 1.00 0.00 C ATOM 459 CD PRO A 34 15.825 8.664 2.854 1.00 0.00 C ATOM 0 HA PRO A 34 13.713 8.017 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.849 6.244 0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.096 7.909 0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.546 6.640 2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.555 7.787 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.895 8.573 3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.260 9.627 2.586 1.00 0.00 H new ATOM 467 N LYS A 35 13.860 5.834 2.883 1.00 0.00 N ATOM 468 CA LYS A 35 13.222 4.627 3.394 1.00 0.00 C ATOM 469 C LYS A 35 11.712 4.814 3.504 1.00 0.00 C ATOM 470 O LYS A 35 10.963 3.844 3.623 1.00 0.00 O ATOM 471 CB LYS A 35 13.802 4.258 4.761 1.00 0.00 C ATOM 472 CG LYS A 35 15.201 3.670 4.690 1.00 0.00 C ATOM 473 CD LYS A 35 15.576 2.967 5.984 1.00 0.00 C ATOM 474 CE LYS A 35 17.042 2.562 5.993 1.00 0.00 C ATOM 475 NZ LYS A 35 17.333 1.554 7.049 1.00 0.00 N ATOM 0 H LYS A 35 14.545 6.248 3.515 1.00 0.00 H new ATOM 0 HA LYS A 35 13.420 3.817 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.823 5.148 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.140 3.541 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.259 2.964 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.920 4.463 4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.374 3.625 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.952 2.083 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.312 2.155 5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.661 3.444 6.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.342 1.304 7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.099 1.951 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.761 0.702 6.882 1.00 0.00 H new ATOM 489 N THR A 36 11.271 6.067 3.462 1.00 0.00 N ATOM 490 CA THR A 36 9.851 6.381 3.557 1.00 0.00 C ATOM 491 C THR A 36 9.290 6.804 2.204 1.00 0.00 C ATOM 492 O THR A 36 9.910 7.584 1.481 1.00 0.00 O ATOM 493 CB THR A 36 9.590 7.501 4.581 1.00 0.00 C ATOM 494 OG1 THR A 36 10.110 7.125 5.861 1.00 0.00 O ATOM 495 CG2 THR A 36 8.101 7.791 4.699 1.00 0.00 C ATOM 0 H THR A 36 11.877 6.881 3.363 1.00 0.00 H new ATOM 0 HA THR A 36 9.348 5.472 3.888 1.00 0.00 H new ATOM 0 HB THR A 36 10.094 8.404 4.235 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.941 7.843 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.942 8.585 5.428 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.714 8.105 3.730 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.580 6.891 5.024 1.00 0.00 H new ATOM 503 N ILE A 37 8.113 6.286 1.868 1.00 0.00 N ATOM 504 CA ILE A 37 7.468 6.612 0.603 1.00 0.00 C ATOM 505 C ILE A 37 5.958 6.739 0.772 1.00 0.00 C ATOM 506 O ILE A 37 5.348 6.010 1.554 1.00 0.00 O ATOM 507 CB ILE A 37 7.766 5.550 -0.472 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.245 4.182 -0.026 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.260 5.487 -0.754 1.00 0.00 C ATOM 510 CD1 ILE A 37 7.076 3.199 -1.163 1.00 0.00 C ATOM 0 H ILE A 37 7.587 5.639 2.455 1.00 0.00 H new ATOM 0 HA ILE A 37 7.876 7.569 0.279 1.00 0.00 H new ATOM 0 HB ILE A 37 7.254 5.831 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.933 3.762 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.286 4.313 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.455 4.732 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.605 6.458 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.792 5.226 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.704 2.252 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.365 3.598 -1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.037 3.038 -1.651 1.00 0.00 H new ATOM 522 N ILE A 38 5.361 7.667 0.032 1.00 0.00 N ATOM 523 CA ILE A 38 3.922 7.887 0.097 1.00 0.00 C ATOM 524 C ILE A 38 3.230 7.376 -1.162 1.00 0.00 C ATOM 525 O ILE A 38 3.745 7.523 -2.270 1.00 0.00 O ATOM 526 CB ILE A 38 3.588 9.379 0.284 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.378 9.957 1.459 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.094 9.564 0.500 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.750 10.465 1.074 1.00 0.00 C ATOM 0 H ILE A 38 5.852 8.279 -0.620 1.00 0.00 H new ATOM 0 HA ILE A 38 3.557 7.331 0.960 1.00 0.00 H new ATOM 0 HB ILE A 38 3.873 9.917 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.808 10.774 1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.486 9.190 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.874 10.623 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.551 9.185 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.785 9.017 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.253 10.860 1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.338 9.647 0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.650 11.255 0.329 1.00 0.00 H new ATOM 541 N VAL A 39 2.057 6.776 -0.984 1.00 0.00 N ATOM 542 CA VAL A 39 1.291 6.246 -2.106 1.00 0.00 C ATOM 543 C VAL A 39 -0.122 6.817 -2.125 1.00 0.00 C ATOM 544 O VAL A 39 -0.971 6.427 -1.324 1.00 0.00 O ATOM 545 CB VAL A 39 1.212 4.709 -2.054 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.357 4.179 -3.196 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.606 4.102 -2.095 1.00 0.00 C ATOM 0 H VAL A 39 1.617 6.645 -0.073 1.00 0.00 H new ATOM 0 HA VAL A 39 1.812 6.545 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 39 0.742 4.419 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.313 3.091 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.650 4.587 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.795 4.478 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.531 3.015 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.105 4.400 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.182 4.456 -1.240 1.00 0.00 H new ATOM 557 N ASN A 40 -0.368 7.742 -3.047 1.00 0.00 N ATOM 558 CA ASN A 40 -1.679 8.368 -3.171 1.00 0.00 C ATOM 559 C ASN A 40 -2.482 7.728 -4.300 1.00 0.00 C ATOM 560 O ASN A 40 -2.052 7.718 -5.453 1.00 0.00 O ATOM 561 CB ASN A 40 -1.530 9.869 -3.425 1.00 0.00 C ATOM 562 CG ASN A 40 -0.559 10.524 -2.461 1.00 0.00 C ATOM 563 OD1 ASN A 40 -0.954 11.021 -1.406 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.720 10.527 -2.820 1.00 0.00 N ATOM 0 H ASN A 40 0.323 8.075 -3.719 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.216 8.217 -2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.187 10.030 -4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.505 10.348 -3.337 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.419 10.953 -2.212 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.003 10.103 -3.704 1.00 0.00 H new ATOM 571 N TRP A 41 -3.650 7.196 -3.959 1.00 0.00 N ATOM 572 CA TRP A 41 -4.514 6.554 -4.944 1.00 0.00 C ATOM 573 C TRP A 41 -5.937 7.093 -4.853 1.00 0.00 C ATOM 574 O TRP A 41 -6.235 7.945 -4.016 1.00 0.00 O ATOM 575 CB TRP A 41 -4.515 5.038 -4.741 1.00 0.00 C ATOM 576 CG TRP A 41 -5.129 4.614 -3.441 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.438 4.297 -3.218 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.457 4.462 -2.186 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.621 3.957 -1.899 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.421 4.050 -1.245 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.136 4.632 -1.765 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.103 3.807 0.089 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.822 4.392 -0.441 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.802 3.982 0.473 1.00 0.00 C ATOM 0 H TRP A 41 -4.021 7.196 -3.009 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.123 6.780 -5.936 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.058 4.569 -5.561 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.489 4.672 -4.787 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.215 4.311 -3.968 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.507 3.680 -1.476 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.373 4.946 -2.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.857 3.492 0.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.804 4.523 -0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.524 3.801 1.501 1.00 0.00 H new ATOM 595 N GLN A 42 -6.812 6.591 -5.719 1.00 0.00 N ATOM 596 CA GLN A 42 -8.204 7.024 -5.735 1.00 0.00 C ATOM 597 C GLN A 42 -9.145 5.828 -5.833 1.00 0.00 C ATOM 598 O GLN A 42 -8.784 4.762 -6.333 1.00 0.00 O ATOM 599 CB GLN A 42 -8.450 7.979 -6.904 1.00 0.00 C ATOM 600 CG GLN A 42 -7.768 9.328 -6.742 1.00 0.00 C ATOM 601 CD GLN A 42 -8.201 10.053 -5.483 1.00 0.00 C ATOM 602 OE1 GLN A 42 -9.213 9.711 -4.872 1.00 0.00 O ATOM 603 NE2 GLN A 42 -7.433 11.061 -5.087 1.00 0.00 N ATOM 0 H GLN A 42 -6.582 5.885 -6.418 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.406 7.546 -4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.099 7.512 -7.824 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.523 8.135 -7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.688 9.185 -6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.990 9.950 -7.609 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.602 11.311 -5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.673 11.586 -4.246 1.00 0.00 H new ATOM 612 N PRO A 43 -10.382 6.005 -5.345 1.00 0.00 N ATOM 613 CA PRO A 43 -11.401 4.951 -5.367 1.00 0.00 C ATOM 614 C PRO A 43 -11.894 4.651 -6.778 1.00 0.00 C ATOM 615 O PRO A 43 -11.863 5.503 -7.667 1.00 0.00 O ATOM 616 CB PRO A 43 -12.532 5.534 -4.517 1.00 0.00 C ATOM 617 CG PRO A 43 -12.362 7.010 -4.620 1.00 0.00 C ATOM 618 CD PRO A 43 -10.882 7.249 -4.736 1.00 0.00 C ATOM 0 HA PRO A 43 -11.015 4.002 -4.994 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.508 5.221 -4.888 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.462 5.199 -3.482 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.890 7.404 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.771 7.512 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.663 8.117 -5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.427 7.431 -3.762 1.00 0.00 H new ATOM 626 N PRO A 44 -12.362 3.412 -6.991 1.00 0.00 N ATOM 627 CA PRO A 44 -12.872 2.972 -8.293 1.00 0.00 C ATOM 628 C PRO A 44 -14.196 3.639 -8.653 1.00 0.00 C ATOM 629 O PRO A 44 -14.987 3.983 -7.775 1.00 0.00 O ATOM 630 CB PRO A 44 -13.067 1.465 -8.107 1.00 0.00 C ATOM 631 CG PRO A 44 -13.266 1.287 -6.641 1.00 0.00 C ATOM 632 CD PRO A 44 -12.429 2.346 -5.978 1.00 0.00 C ATOM 0 HA PRO A 44 -12.193 3.231 -9.105 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.928 1.105 -8.670 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.199 0.907 -8.459 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.317 1.396 -6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.958 0.291 -6.323 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.886 2.699 -5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.438 1.972 -5.722 1.00 0.00 H new ATOM 640 N SER A 45 -14.430 3.818 -9.949 1.00 0.00 N ATOM 641 CA SER A 45 -15.656 4.448 -10.424 1.00 0.00 C ATOM 642 C SER A 45 -16.876 3.612 -10.048 1.00 0.00 C ATOM 643 O SER A 45 -17.931 4.151 -9.714 1.00 0.00 O ATOM 644 CB SER A 45 -15.602 4.638 -11.941 1.00 0.00 C ATOM 645 OG SER A 45 -16.576 5.573 -12.373 1.00 0.00 O ATOM 0 H SER A 45 -13.787 3.536 -10.689 1.00 0.00 H new ATOM 0 HA SER A 45 -15.743 5.424 -9.946 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.609 4.981 -12.233 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.767 3.681 -12.437 1.00 0.00 H new ATOM 0 HG SER A 45 -16.520 5.678 -13.346 1.00 0.00 H new ATOM 651 N GLU A 46 -16.723 2.293 -10.107 1.00 0.00 N ATOM 652 CA GLU A 46 -17.812 1.383 -9.774 1.00 0.00 C ATOM 653 C GLU A 46 -17.795 1.033 -8.288 1.00 0.00 C ATOM 654 O GLU A 46 -17.559 -0.114 -7.913 1.00 0.00 O ATOM 655 CB GLU A 46 -17.713 0.105 -10.610 1.00 0.00 C ATOM 656 CG GLU A 46 -18.326 0.235 -11.995 1.00 0.00 C ATOM 657 CD GLU A 46 -17.351 0.791 -13.015 1.00 0.00 C ATOM 658 OE1 GLU A 46 -16.437 0.048 -13.429 1.00 0.00 O ATOM 659 OE2 GLU A 46 -17.503 1.970 -13.399 1.00 0.00 O ATOM 0 H GLU A 46 -15.856 1.831 -10.382 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.752 1.886 -10.001 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.664 -0.173 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.208 -0.707 -10.077 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -18.675 -0.743 -12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -19.200 0.884 -11.942 1.00 0.00 H new ATOM 666 N ALA A 47 -18.045 2.033 -7.449 1.00 0.00 N ATOM 667 CA ALA A 47 -18.059 1.832 -6.005 1.00 0.00 C ATOM 668 C ALA A 47 -19.071 0.762 -5.610 1.00 0.00 C ATOM 669 O ALA A 47 -18.778 -0.112 -4.796 1.00 0.00 O ATOM 670 CB ALA A 47 -18.366 3.141 -5.293 1.00 0.00 C ATOM 0 H ALA A 47 -18.240 2.990 -7.744 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.070 1.489 -5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.373 2.976 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.603 3.878 -5.542 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -19.342 3.508 -5.611 1.00 0.00 H new ATOM 676 N ASN A 48 -20.264 0.839 -6.191 1.00 0.00 N ATOM 677 CA ASN A 48 -21.320 -0.123 -5.898 1.00 0.00 C ATOM 678 C ASN A 48 -21.351 -0.461 -4.411 1.00 0.00 C ATOM 679 O ASN A 48 -21.808 -1.533 -4.016 1.00 0.00 O ATOM 680 CB ASN A 48 -21.119 -1.399 -6.718 1.00 0.00 C ATOM 681 CG ASN A 48 -20.680 -1.109 -8.141 1.00 0.00 C ATOM 682 OD1 ASN A 48 -21.001 -0.059 -8.699 1.00 0.00 O ATOM 683 ND2 ASN A 48 -19.943 -2.040 -8.734 1.00 0.00 N ATOM 0 H ASN A 48 -20.523 1.557 -6.867 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.274 0.329 -6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -20.373 -2.027 -6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.050 -1.966 -6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.618 -1.901 -9.691 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.701 -2.895 -8.233 1.00 0.00 H new ATOM 690 N GLY A 49 -20.861 0.463 -3.589 1.00 0.00 N ATOM 691 CA GLY A 49 -20.842 0.245 -2.154 1.00 0.00 C ATOM 692 C GLY A 49 -19.981 1.257 -1.426 1.00 0.00 C ATOM 693 O GLY A 49 -19.063 1.836 -2.006 1.00 0.00 O ATOM 0 H GLY A 49 -20.477 1.358 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.860 0.295 -1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.471 -0.759 -1.947 1.00 0.00 H new ATOM 697 N LYS A 50 -20.279 1.474 -0.149 1.00 0.00 N ATOM 698 CA LYS A 50 -19.527 2.425 0.662 1.00 0.00 C ATOM 699 C LYS A 50 -18.142 1.878 0.996 1.00 0.00 C ATOM 700 O LYS A 50 -18.009 0.930 1.769 1.00 0.00 O ATOM 701 CB LYS A 50 -20.287 2.740 1.952 1.00 0.00 C ATOM 702 CG LYS A 50 -19.926 4.085 2.558 1.00 0.00 C ATOM 703 CD LYS A 50 -21.063 4.642 3.398 1.00 0.00 C ATOM 704 CE LYS A 50 -20.577 5.729 4.344 1.00 0.00 C ATOM 705 NZ LYS A 50 -20.071 6.920 3.607 1.00 0.00 N ATOM 0 H LYS A 50 -21.036 1.004 0.347 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.408 3.342 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.357 2.719 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.086 1.956 2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.034 3.979 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.681 4.789 1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.836 5.046 2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.521 3.837 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.392 6.029 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.785 5.331 4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.781 7.651 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.255 6.646 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.824 7.295 2.995 1.00 0.00 H new ATOM 719 N ILE A 51 -17.115 2.484 0.409 1.00 0.00 N ATOM 720 CA ILE A 51 -15.741 2.059 0.646 1.00 0.00 C ATOM 721 C ILE A 51 -15.329 2.316 2.092 1.00 0.00 C ATOM 722 O ILE A 51 -15.166 3.464 2.508 1.00 0.00 O ATOM 723 CB ILE A 51 -14.758 2.782 -0.293 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.231 2.673 -1.744 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.359 2.205 -0.141 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.107 1.278 -2.316 1.00 0.00 C ATOM 0 H ILE A 51 -17.209 3.270 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.702 0.989 0.444 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.726 3.837 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.272 2.990 -1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.652 3.362 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.676 2.726 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.024 2.330 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.374 1.144 -0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.460 1.275 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.063 0.965 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.708 0.587 -1.724 1.00 0.00 H new ATOM 738 N THR A 52 -15.159 1.240 2.854 1.00 0.00 N ATOM 739 CA THR A 52 -14.764 1.348 4.252 1.00 0.00 C ATOM 740 C THR A 52 -13.287 1.701 4.381 1.00 0.00 C ATOM 741 O THR A 52 -12.906 2.526 5.211 1.00 0.00 O ATOM 742 CB THR A 52 -15.036 0.038 5.016 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.187 -1.003 4.519 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.492 -0.378 4.876 1.00 0.00 C ATOM 0 H THR A 52 -15.289 0.283 2.525 1.00 0.00 H new ATOM 0 HA THR A 52 -15.365 2.146 4.689 1.00 0.00 H new ATOM 0 HB THR A 52 -14.824 0.207 6.072 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.364 -1.832 5.010 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.660 -1.305 5.424 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.134 0.404 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.727 -0.531 3.823 1.00 0.00 H new ATOM 752 N GLY A 53 -12.458 1.071 3.554 1.00 0.00 N ATOM 753 CA GLY A 53 -11.031 1.333 3.592 1.00 0.00 C ATOM 754 C GLY A 53 -10.305 0.764 2.389 1.00 0.00 C ATOM 755 O GLY A 53 -10.896 0.593 1.322 1.00 0.00 O ATOM 0 H GLY A 53 -12.749 0.384 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.863 2.409 3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.610 0.905 4.502 1.00 0.00 H new ATOM 759 N TYR A 54 -9.021 0.471 2.560 1.00 0.00 N ATOM 760 CA TYR A 54 -8.212 -0.079 1.478 1.00 0.00 C ATOM 761 C TYR A 54 -7.010 -0.840 2.029 1.00 0.00 C ATOM 762 O TYR A 54 -6.594 -0.624 3.168 1.00 0.00 O ATOM 763 CB TYR A 54 -7.739 1.040 0.548 1.00 0.00 C ATOM 764 CG TYR A 54 -8.813 2.054 0.226 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.246 2.965 1.182 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.394 2.102 -1.035 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.227 3.893 0.892 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.375 3.028 -1.334 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.789 3.920 -0.367 1.00 0.00 C ATOM 770 OH TYR A 54 -11.765 4.844 -0.661 1.00 0.00 O ATOM 0 H TYR A 54 -8.518 0.605 3.437 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.831 -0.775 0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.894 1.552 1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.376 0.600 -0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.808 2.947 2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.074 1.404 -1.794 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.552 4.594 1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.815 3.053 -2.320 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.938 5.399 0.128 1.00 0.00 H new ATOM 780 N ILE A 55 -6.457 -1.730 1.213 1.00 0.00 N ATOM 781 CA ILE A 55 -5.302 -2.522 1.617 1.00 0.00 C ATOM 782 C ILE A 55 -4.188 -2.440 0.578 1.00 0.00 C ATOM 783 O ILE A 55 -4.450 -2.400 -0.625 1.00 0.00 O ATOM 784 CB ILE A 55 -5.680 -3.999 1.832 1.00 0.00 C ATOM 785 CG1 ILE A 55 -6.727 -4.125 2.941 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.443 -4.819 2.169 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.500 -5.424 2.898 1.00 0.00 C ATOM 0 H ILE A 55 -6.790 -1.921 0.268 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.948 -2.105 2.560 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.109 -4.387 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.232 -4.038 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.427 -3.293 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.727 -5.861 2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.727 -4.751 1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.988 -4.433 3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.224 -5.444 3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.024 -5.504 1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.810 -6.261 3.005 1.00 0.00 H new ATOM 799 N ILE A 56 -2.947 -2.416 1.050 1.00 0.00 N ATOM 800 CA ILE A 56 -1.793 -2.341 0.162 1.00 0.00 C ATOM 801 C ILE A 56 -0.918 -3.583 0.293 1.00 0.00 C ATOM 802 O ILE A 56 -0.639 -4.046 1.399 1.00 0.00 O ATOM 803 CB ILE A 56 -0.940 -1.093 0.452 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.739 0.178 0.156 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.340 -1.124 -0.371 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.192 1.409 0.844 1.00 0.00 C ATOM 0 H ILE A 56 -2.714 -2.447 2.043 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.180 -2.278 -0.855 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.671 -1.092 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.750 0.348 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.773 0.028 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.933 -0.235 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.915 -2.014 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.090 -1.145 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.807 2.272 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.206 1.259 1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.168 1.584 0.516 1.00 0.00 H new ATOM 818 N TYR A 57 -0.486 -4.118 -0.844 1.00 0.00 N ATOM 819 CA TYR A 57 0.358 -5.307 -0.857 1.00 0.00 C ATOM 820 C TYR A 57 1.658 -5.044 -1.612 1.00 0.00 C ATOM 821 O TYR A 57 1.647 -4.525 -2.729 1.00 0.00 O ATOM 822 CB TYR A 57 -0.388 -6.479 -1.497 1.00 0.00 C ATOM 823 CG TYR A 57 -1.804 -6.643 -0.994 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.827 -5.829 -1.465 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.120 -7.610 -0.048 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.123 -5.974 -1.008 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.413 -7.762 0.414 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.411 -6.942 -0.069 1.00 0.00 C ATOM 829 OH TYR A 57 -5.700 -7.090 0.389 1.00 0.00 O ATOM 0 H TYR A 57 -0.706 -3.747 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 57 0.603 -5.560 0.175 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.409 -6.338 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.165 -7.399 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.605 -5.070 -2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.341 -8.254 0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.906 -5.333 -1.384 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.641 -8.519 1.150 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.320 -6.659 -0.235 1.00 0.00 H new ATOM 839 N TYR A 58 2.776 -5.406 -0.994 1.00 0.00 N ATOM 840 CA TYR A 58 4.085 -5.209 -1.605 1.00 0.00 C ATOM 841 C TYR A 58 5.054 -6.310 -1.185 1.00 0.00 C ATOM 842 O TYR A 58 4.869 -6.955 -0.153 1.00 0.00 O ATOM 843 CB TYR A 58 4.651 -3.841 -1.217 1.00 0.00 C ATOM 844 CG TYR A 58 4.993 -3.721 0.251 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.117 -4.347 0.776 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.192 -2.981 1.113 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.432 -4.241 2.117 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.501 -2.868 2.454 1.00 0.00 C ATOM 849 CZ TYR A 58 5.622 -3.500 2.952 1.00 0.00 C ATOM 850 OH TYR A 58 5.933 -3.391 4.288 1.00 0.00 O ATOM 0 H TYR A 58 2.802 -5.838 -0.070 1.00 0.00 H new ATOM 0 HA TYR A 58 3.963 -5.251 -2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.547 -3.647 -1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.925 -3.070 -1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.755 -4.926 0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.313 -2.486 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.308 -4.736 2.509 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.869 -2.288 3.110 1.00 0.00 H new ATOM 0 HH TYR A 58 5.262 -2.834 4.736 1.00 0.00 H new ATOM 860 N SER A 59 6.088 -6.519 -1.993 1.00 0.00 N ATOM 861 CA SER A 59 7.086 -7.544 -1.709 1.00 0.00 C ATOM 862 C SER A 59 8.307 -7.377 -2.607 1.00 0.00 C ATOM 863 O SER A 59 8.280 -6.623 -3.580 1.00 0.00 O ATOM 864 CB SER A 59 6.484 -8.938 -1.900 1.00 0.00 C ATOM 865 OG SER A 59 7.328 -9.936 -1.353 1.00 0.00 O ATOM 0 H SER A 59 6.257 -5.992 -2.850 1.00 0.00 H new ATOM 0 HA SER A 59 7.402 -7.431 -0.672 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.505 -8.983 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.330 -9.129 -2.962 1.00 0.00 H new ATOM 0 HG SER A 59 6.921 -10.818 -1.486 1.00 0.00 H new ATOM 871 N THR A 60 9.381 -8.087 -2.274 1.00 0.00 N ATOM 872 CA THR A 60 10.614 -8.018 -3.048 1.00 0.00 C ATOM 873 C THR A 60 10.570 -8.970 -4.238 1.00 0.00 C ATOM 874 O THR A 60 11.596 -9.508 -4.653 1.00 0.00 O ATOM 875 CB THR A 60 11.841 -8.355 -2.181 1.00 0.00 C ATOM 876 OG1 THR A 60 11.672 -9.638 -1.569 1.00 0.00 O ATOM 877 CG2 THR A 60 12.051 -7.299 -1.106 1.00 0.00 C ATOM 0 H THR A 60 9.421 -8.717 -1.473 1.00 0.00 H new ATOM 0 HA THR A 60 10.704 -6.993 -3.409 1.00 0.00 H new ATOM 0 HB THR A 60 12.719 -8.374 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.458 -9.845 -1.021 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.923 -7.559 -0.506 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.209 -6.328 -1.576 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.171 -7.252 -0.465 1.00 0.00 H new ATOM 885 N ASP A 61 9.375 -9.173 -4.783 1.00 0.00 N ATOM 886 CA ASP A 61 9.198 -10.060 -5.927 1.00 0.00 C ATOM 887 C ASP A 61 7.793 -9.924 -6.507 1.00 0.00 C ATOM 888 O ASP A 61 6.847 -9.584 -5.796 1.00 0.00 O ATOM 889 CB ASP A 61 9.458 -11.511 -5.520 1.00 0.00 C ATOM 890 CG ASP A 61 9.709 -12.411 -6.714 1.00 0.00 C ATOM 891 OD1 ASP A 61 9.248 -12.068 -7.823 1.00 0.00 O ATOM 892 OD2 ASP A 61 10.367 -13.458 -6.540 1.00 0.00 O ATOM 0 H ASP A 61 8.515 -8.736 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 61 9.917 -9.772 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.319 -11.549 -4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.602 -11.887 -4.959 1.00 0.00 H new ATOM 897 N VAL A 62 7.665 -10.192 -7.803 1.00 0.00 N ATOM 898 CA VAL A 62 6.376 -10.101 -8.478 1.00 0.00 C ATOM 899 C VAL A 62 5.778 -11.483 -8.710 1.00 0.00 C ATOM 900 O VAL A 62 4.634 -11.611 -9.144 1.00 0.00 O ATOM 901 CB VAL A 62 6.502 -9.374 -9.830 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.140 -10.284 -10.869 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.140 -8.886 -10.301 1.00 0.00 C ATOM 0 H VAL A 62 8.438 -10.474 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 62 5.716 -9.529 -7.826 1.00 0.00 H new ATOM 0 HB VAL A 62 7.148 -8.506 -9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.221 -9.753 -11.817 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.134 -10.579 -10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.523 -11.173 -11.002 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.248 -8.375 -11.258 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.469 -9.737 -10.418 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.726 -8.196 -9.565 1.00 0.00 H new ATOM 913 N ASN A 63 6.560 -12.517 -8.418 1.00 0.00 N ATOM 914 CA ASN A 63 6.108 -13.892 -8.595 1.00 0.00 C ATOM 915 C ASN A 63 5.666 -14.495 -7.265 1.00 0.00 C ATOM 916 O ASN A 63 4.976 -15.514 -7.233 1.00 0.00 O ATOM 917 CB ASN A 63 7.222 -14.743 -9.208 1.00 0.00 C ATOM 918 CG ASN A 63 7.552 -14.327 -10.629 1.00 0.00 C ATOM 919 OD1 ASN A 63 6.787 -14.587 -11.557 1.00 0.00 O ATOM 920 ND2 ASN A 63 8.697 -13.677 -10.804 1.00 0.00 N ATOM 0 H ASN A 63 7.510 -12.429 -8.058 1.00 0.00 H new ATOM 0 HA ASN A 63 5.253 -13.882 -9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.117 -14.663 -8.592 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.922 -15.791 -9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.973 -13.372 -11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.301 -13.483 -10.005 1.00 0.00 H new ATOM 927 N ALA A 64 6.067 -13.858 -6.171 1.00 0.00 N ATOM 928 CA ALA A 64 5.710 -14.329 -4.838 1.00 0.00 C ATOM 929 C ALA A 64 4.208 -14.562 -4.722 1.00 0.00 C ATOM 930 O ALA A 64 3.409 -13.806 -5.274 1.00 0.00 O ATOM 931 CB ALA A 64 6.174 -13.334 -3.785 1.00 0.00 C ATOM 0 H ALA A 64 6.640 -13.014 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 64 6.213 -15.281 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.901 -13.698 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.256 -13.220 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.698 -12.370 -3.961 1.00 0.00 H new ATOM 937 N GLU A 65 3.831 -15.615 -4.003 1.00 0.00 N ATOM 938 CA GLU A 65 2.423 -15.948 -3.817 1.00 0.00 C ATOM 939 C GLU A 65 1.681 -14.808 -3.125 1.00 0.00 C ATOM 940 O GLU A 65 2.139 -14.280 -2.111 1.00 0.00 O ATOM 941 CB GLU A 65 2.284 -17.233 -2.998 1.00 0.00 C ATOM 942 CG GLU A 65 2.362 -18.499 -3.834 1.00 0.00 C ATOM 943 CD GLU A 65 3.671 -18.620 -4.590 1.00 0.00 C ATOM 944 OE1 GLU A 65 4.637 -19.165 -4.018 1.00 0.00 O ATOM 945 OE2 GLU A 65 3.728 -18.169 -5.753 1.00 0.00 O ATOM 0 H GLU A 65 4.480 -16.251 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 65 1.980 -16.103 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.068 -17.258 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.331 -17.215 -2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.240 -19.366 -3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.535 -18.513 -4.543 1.00 0.00 H new ATOM 952 N ILE A 66 0.534 -14.433 -3.682 1.00 0.00 N ATOM 953 CA ILE A 66 -0.271 -13.356 -3.119 1.00 0.00 C ATOM 954 C ILE A 66 -0.234 -13.381 -1.594 1.00 0.00 C ATOM 955 O ILE A 66 -0.261 -12.335 -0.945 1.00 0.00 O ATOM 956 CB ILE A 66 -1.736 -13.445 -3.586 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.506 -12.192 -3.164 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.396 -14.695 -3.024 1.00 0.00 C ATOM 959 CD1 ILE A 66 -2.006 -10.925 -3.822 1.00 0.00 C ATOM 0 H ILE A 66 0.142 -14.859 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 66 0.160 -12.421 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.752 -13.508 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.561 -12.325 -3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.438 -12.081 -2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.431 -14.744 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.859 -15.578 -3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.372 -14.661 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.598 -10.077 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.960 -10.768 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.100 -11.016 -4.904 1.00 0.00 H new ATOM 971 N HIS A 67 -0.169 -14.583 -1.029 1.00 0.00 N ATOM 972 CA HIS A 67 -0.125 -14.744 0.420 1.00 0.00 C ATOM 973 C HIS A 67 1.171 -14.177 0.991 1.00 0.00 C ATOM 974 O HIS A 67 1.160 -13.470 1.999 1.00 0.00 O ATOM 975 CB HIS A 67 -0.258 -16.221 0.794 1.00 0.00 C ATOM 976 CG HIS A 67 1.041 -16.966 0.761 1.00 0.00 C ATOM 977 ND1 HIS A 67 1.295 -17.999 -0.116 1.00 0.00 N ATOM 978 CD2 HIS A 67 2.164 -16.821 1.504 1.00 0.00 C ATOM 979 CE1 HIS A 67 2.516 -18.458 0.089 1.00 0.00 C ATOM 980 NE2 HIS A 67 3.065 -17.761 1.067 1.00 0.00 N ATOM 0 H HIS A 67 -0.146 -15.458 -1.552 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.962 -14.192 0.848 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.686 -16.297 1.794 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.959 -16.699 0.110 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.322 -16.101 2.293 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.986 -19.266 -0.452 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.005 -17.898 1.438 1.00 0.00 H new ATOM 989 N ASP A 68 2.286 -14.492 0.341 1.00 0.00 N ATOM 990 CA ASP A 68 3.590 -14.014 0.784 1.00 0.00 C ATOM 991 C ASP A 68 3.608 -12.491 0.875 1.00 0.00 C ATOM 992 O ASP A 68 4.318 -11.918 1.702 1.00 0.00 O ATOM 993 CB ASP A 68 4.684 -14.493 -0.172 1.00 0.00 C ATOM 994 CG ASP A 68 5.109 -15.922 0.104 1.00 0.00 C ATOM 995 OD1 ASP A 68 5.398 -16.239 1.276 1.00 0.00 O ATOM 996 OD2 ASP A 68 5.152 -16.723 -0.854 1.00 0.00 O ATOM 0 H ASP A 68 2.313 -15.076 -0.495 1.00 0.00 H new ATOM 0 HA ASP A 68 3.781 -14.422 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.325 -14.416 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.550 -13.837 -0.087 1.00 0.00 H new ATOM 1001 N TRP A 69 2.825 -11.844 0.021 1.00 0.00 N ATOM 1002 CA TRP A 69 2.752 -10.387 0.005 1.00 0.00 C ATOM 1003 C TRP A 69 2.224 -9.853 1.332 1.00 0.00 C ATOM 1004 O TRP A 69 1.259 -10.382 1.885 1.00 0.00 O ATOM 1005 CB TRP A 69 1.857 -9.913 -1.142 1.00 0.00 C ATOM 1006 CG TRP A 69 2.475 -10.101 -2.494 1.00 0.00 C ATOM 1007 CD1 TRP A 69 2.892 -11.278 -3.049 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.748 -9.081 -3.461 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.407 -11.051 -4.302 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.330 -9.712 -4.579 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.556 -7.698 -3.493 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.721 -9.004 -5.712 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 2.945 -6.997 -4.618 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.521 -7.650 -5.716 1.00 0.00 C ATOM 0 H TRP A 69 2.232 -12.304 -0.669 1.00 0.00 H new ATOM 0 HA TRP A 69 3.760 -10.000 -0.146 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.912 -10.455 -1.104 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.625 -8.857 -1.000 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.826 -12.245 -2.572 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.785 -11.764 -4.925 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.111 -7.186 -2.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.167 -9.506 -6.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.803 -5.927 -4.652 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.813 -7.074 -6.582 1.00 0.00 H new ATOM 1025 N VAL A 70 2.861 -8.803 1.838 1.00 0.00 N ATOM 1026 CA VAL A 70 2.454 -8.197 3.100 1.00 0.00 C ATOM 1027 C VAL A 70 1.104 -7.501 2.966 1.00 0.00 C ATOM 1028 O VAL A 70 0.742 -7.031 1.887 1.00 0.00 O ATOM 1029 CB VAL A 70 3.497 -7.178 3.597 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.568 -5.985 2.656 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.173 -6.731 5.014 1.00 0.00 C ATOM 0 H VAL A 70 3.662 -8.354 1.393 1.00 0.00 H new ATOM 0 HA VAL A 70 2.372 -9.006 3.826 1.00 0.00 H new ATOM 0 HB VAL A 70 4.474 -7.661 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.310 -5.276 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.852 -6.324 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.593 -5.499 2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.920 -6.011 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.187 -6.266 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.179 -7.595 5.678 1.00 0.00 H new ATOM 1041 N ILE A 71 0.364 -7.438 4.068 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.945 -6.798 4.073 1.00 0.00 C ATOM 1043 C ILE A 71 -0.910 -5.482 4.842 1.00 0.00 C ATOM 1044 O ILE A 71 -0.722 -5.468 6.058 1.00 0.00 O ATOM 1045 CB ILE A 71 -2.017 -7.713 4.692 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.112 -9.025 3.911 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.365 -7.008 4.719 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.844 -10.120 4.655 1.00 0.00 C ATOM 0 H ILE A 71 0.649 -7.823 4.969 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.204 -6.602 3.033 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.729 -7.942 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.619 -8.839 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.106 -9.369 3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.112 -7.668 5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.288 -6.098 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.662 -6.752 3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.873 -11.020 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.325 -10.334 5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.862 -9.795 4.871 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.094 -4.378 4.125 1.00 0.00 N ATOM 1061 CA GLU A 72 -1.085 -3.056 4.741 1.00 0.00 C ATOM 1062 C GLU A 72 -2.493 -2.472 4.796 1.00 0.00 C ATOM 1063 O GLU A 72 -2.915 -1.720 3.918 1.00 0.00 O ATOM 1064 CB GLU A 72 -0.160 -2.115 3.968 1.00 0.00 C ATOM 1065 CG GLU A 72 1.273 -2.116 4.474 1.00 0.00 C ATOM 1066 CD GLU A 72 1.679 -3.450 5.072 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.405 -4.491 4.439 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.271 -3.451 6.171 1.00 0.00 O ATOM 0 H GLU A 72 -1.251 -4.373 3.117 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.714 -3.161 5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.165 -2.399 2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.556 -1.101 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.945 -1.871 3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.390 -1.335 5.225 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.239 -2.825 5.853 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.611 -2.347 6.049 1.00 0.00 C ATOM 1077 C PRO A 73 -4.665 -0.861 6.384 1.00 0.00 C ATOM 1078 O PRO A 73 -4.081 -0.415 7.373 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.111 -3.181 7.232 1.00 0.00 C ATOM 1080 CG PRO A 73 -3.878 -3.561 7.976 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.801 -3.718 6.939 1.00 0.00 C ATOM 0 HA PRO A 73 -5.214 -2.456 5.147 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.792 -2.607 7.861 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.656 -4.062 6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.610 -2.795 8.704 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.026 -4.489 8.529 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.824 -3.429 7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.717 -4.751 6.601 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.370 -0.097 5.556 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.501 1.340 5.765 1.00 0.00 C ATOM 1091 C VAL A 74 -6.782 1.670 6.523 1.00 0.00 C ATOM 1092 O VAL A 74 -7.877 1.283 6.113 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.497 2.105 4.428 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.539 3.606 4.672 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.279 1.724 3.601 1.00 0.00 C ATOM 0 H VAL A 74 -5.860 -0.450 4.734 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.641 1.653 6.356 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.389 1.828 3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.536 4.130 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.445 3.860 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.666 3.905 5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.292 2.274 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.372 1.971 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.298 0.654 3.396 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.639 2.388 7.632 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.785 2.772 8.448 1.00 0.00 C ATOM 1107 C VAL A 75 -8.531 3.948 7.828 1.00 0.00 C ATOM 1108 O VAL A 75 -8.013 4.630 6.945 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.355 3.148 9.878 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.709 1.958 10.572 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.410 4.339 9.855 1.00 0.00 C ATOM 0 H VAL A 75 -5.740 2.716 7.986 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.447 1.907 8.491 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.244 3.430 10.443 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.412 2.243 11.581 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.422 1.135 10.622 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.830 1.642 10.010 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.117 4.590 10.874 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.523 4.088 9.273 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.912 5.193 9.401 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.753 4.182 8.298 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.551 5.277 7.779 1.00 0.00 C ATOM 1123 C GLY A 76 -10.624 5.274 6.265 1.00 0.00 C ATOM 1124 O GLY A 76 -10.092 4.376 5.613 1.00 0.00 O ATOM 0 H GLY A 76 -10.204 3.632 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.559 5.214 8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.128 6.223 8.117 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.287 6.280 5.704 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.430 6.389 4.257 1.00 0.00 C ATOM 1130 C ASN A 77 -10.235 7.112 3.645 1.00 0.00 C ATOM 1131 O ASN A 77 -10.392 7.955 2.762 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.723 7.128 3.906 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.817 8.481 4.583 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -11.959 8.847 5.387 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -13.864 9.233 4.261 1.00 0.00 N ATOM 0 H ASN A 77 -11.734 7.031 6.230 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.472 5.381 3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.781 7.261 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.578 6.518 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.981 10.153 4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.551 8.890 3.590 1.00 0.00 H new ATOM 1142 N ARG A 78 -9.040 6.776 4.120 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.818 7.393 3.620 1.00 0.00 C ATOM 1144 C ARG A 78 -7.324 6.683 2.363 1.00 0.00 C ATOM 1145 O ARG A 78 -7.294 5.453 2.303 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.730 7.364 4.695 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.734 8.508 4.585 1.00 0.00 C ATOM 1148 CD ARG A 78 -5.078 8.806 5.924 1.00 0.00 C ATOM 1149 NE ARG A 78 -4.112 9.897 5.830 1.00 0.00 N ATOM 1150 CZ ARG A 78 -3.735 10.636 6.867 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -4.240 10.403 8.070 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -2.851 11.612 6.701 1.00 0.00 N ATOM 0 H ARG A 78 -8.892 6.080 4.851 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.042 8.429 3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.201 7.397 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.192 6.418 4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.968 8.256 3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.242 9.401 4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.845 9.063 6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.578 7.909 6.290 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.704 10.103 4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.920 9.654 8.201 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.948 10.972 8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.461 11.795 5.777 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.562 12.179 7.498 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.939 7.465 1.360 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.448 6.911 0.103 1.00 0.00 C ATOM 1168 C LEU A 79 -4.934 7.063 -0.004 1.00 0.00 C ATOM 1169 O LEU A 79 -4.345 6.806 -1.054 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.126 7.602 -1.081 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.625 7.868 -0.934 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.056 9.006 -1.845 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.422 6.608 -1.237 1.00 0.00 C ATOM 0 H LEU A 79 -6.957 8.484 1.393 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.691 5.849 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.624 8.553 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.971 6.991 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.824 8.160 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.125 9.181 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.509 9.911 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.843 8.743 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.486 6.816 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.218 6.285 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.133 5.819 -0.543 1.00 0.00 H new ATOM 1185 N THR A 80 -4.307 7.483 1.091 1.00 0.00 N ATOM 1186 CA THR A 80 -2.862 7.668 1.122 1.00 0.00 C ATOM 1187 C THR A 80 -2.234 6.909 2.285 1.00 0.00 C ATOM 1188 O THR A 80 -2.782 6.879 3.388 1.00 0.00 O ATOM 1189 CB THR A 80 -2.489 9.159 1.235 1.00 0.00 C ATOM 1190 OG1 THR A 80 -1.069 9.302 1.342 1.00 0.00 O ATOM 1191 CG2 THR A 80 -3.161 9.794 2.443 1.00 0.00 C ATOM 0 H THR A 80 -4.779 7.701 1.969 1.00 0.00 H new ATOM 0 HA THR A 80 -2.473 7.273 0.183 1.00 0.00 H new ATOM 0 HB THR A 80 -2.837 9.668 0.336 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.738 9.848 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.883 10.846 2.503 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.243 9.709 2.344 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.839 9.282 3.350 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.082 6.297 2.033 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.378 5.539 3.062 1.00 0.00 C ATOM 1201 C HIS A 81 1.109 5.880 3.067 1.00 0.00 C ATOM 1202 O HIS A 81 1.710 6.091 2.014 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.568 4.038 2.838 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.174 3.202 4.016 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.540 3.506 5.311 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.557 2.066 4.091 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.049 2.594 6.130 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.620 1.708 5.415 1.00 0.00 N ATOM 0 H HIS A 81 -0.616 6.311 1.126 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.798 5.811 4.030 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.614 3.844 2.599 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.019 3.731 1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.007 1.539 3.263 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.173 2.576 7.203 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.105 0.891 5.786 1.00 0.00 H new ATOM 1217 N GLN A 82 1.694 5.934 4.259 1.00 0.00 N ATOM 1218 CA GLN A 82 3.111 6.251 4.400 1.00 0.00 C ATOM 1219 C GLN A 82 3.881 5.062 4.965 1.00 0.00 C ATOM 1220 O GLN A 82 3.790 4.760 6.156 1.00 0.00 O ATOM 1221 CB GLN A 82 3.294 7.470 5.306 1.00 0.00 C ATOM 1222 CG GLN A 82 2.713 8.750 4.728 1.00 0.00 C ATOM 1223 CD GLN A 82 1.197 8.769 4.758 1.00 0.00 C ATOM 1224 OE1 GLN A 82 0.574 8.146 5.618 1.00 0.00 O ATOM 1225 NE2 GLN A 82 0.595 9.487 3.817 1.00 0.00 N ATOM 0 H GLN A 82 1.210 5.763 5.140 1.00 0.00 H new ATOM 0 HA GLN A 82 3.507 6.480 3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.824 7.270 6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.358 7.616 5.494 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.094 9.603 5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.054 8.867 3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.151 9.988 3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.423 9.538 3.788 1.00 0.00 H new ATOM 1234 N ILE A 83 4.639 4.392 4.104 1.00 0.00 N ATOM 1235 CA ILE A 83 5.426 3.237 4.519 1.00 0.00 C ATOM 1236 C ILE A 83 6.887 3.616 4.736 1.00 0.00 C ATOM 1237 O ILE A 83 7.496 4.284 3.900 1.00 0.00 O ATOM 1238 CB ILE A 83 5.351 2.103 3.479 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.901 1.656 3.283 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.219 0.930 3.911 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.674 0.888 2.000 1.00 0.00 C ATOM 0 H ILE A 83 4.725 4.629 3.116 1.00 0.00 H new ATOM 0 HA ILE A 83 5.001 2.887 5.459 1.00 0.00 H new ATOM 0 HB ILE A 83 5.728 2.477 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.604 1.034 4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.254 2.534 3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.156 0.137 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.254 1.258 4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.870 0.554 4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.624 0.603 1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.940 1.515 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.294 -0.008 1.998 1.00 0.00 H new ATOM 1253 N GLN A 84 7.443 3.185 5.864 1.00 0.00 N ATOM 1254 CA GLN A 84 8.833 3.479 6.190 1.00 0.00 C ATOM 1255 C GLN A 84 9.616 2.195 6.445 1.00 0.00 C ATOM 1256 O GLN A 84 9.091 1.094 6.280 1.00 0.00 O ATOM 1257 CB GLN A 84 8.910 4.388 7.418 1.00 0.00 C ATOM 1258 CG GLN A 84 7.743 5.357 7.531 1.00 0.00 C ATOM 1259 CD GLN A 84 8.060 6.552 8.408 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.145 6.645 8.982 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.111 7.474 8.518 1.00 0.00 N ATOM 0 H GLN A 84 6.952 2.632 6.567 1.00 0.00 H new ATOM 0 HA GLN A 84 9.278 3.992 5.338 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.947 3.770 8.315 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.840 4.955 7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.467 5.705 6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.878 4.832 7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.226 7.357 8.024 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.267 8.300 9.096 1.00 0.00 H new ATOM 1270 N GLU A 85 10.874 2.344 6.847 1.00 0.00 N ATOM 1271 CA GLU A 85 11.729 1.195 7.123 1.00 0.00 C ATOM 1272 C GLU A 85 11.863 0.308 5.889 1.00 0.00 C ATOM 1273 O GLU A 85 12.013 -0.910 5.999 1.00 0.00 O ATOM 1274 CB GLU A 85 11.166 0.381 8.291 1.00 0.00 C ATOM 1275 CG GLU A 85 11.159 1.134 9.610 1.00 0.00 C ATOM 1276 CD GLU A 85 12.461 0.983 10.374 1.00 0.00 C ATOM 1277 OE1 GLU A 85 13.012 -0.137 10.393 1.00 0.00 O ATOM 1278 OE2 GLU A 85 12.927 1.986 10.954 1.00 0.00 O ATOM 0 H GLU A 85 11.324 3.248 6.989 1.00 0.00 H new ATOM 0 HA GLU A 85 12.718 1.566 7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.148 0.075 8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.754 -0.529 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.974 2.191 9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.336 0.772 10.226 1.00 0.00 H new ATOM 1285 N LEU A 86 11.808 0.927 4.715 1.00 0.00 N ATOM 1286 CA LEU A 86 11.924 0.195 3.458 1.00 0.00 C ATOM 1287 C LEU A 86 13.374 0.143 2.989 1.00 0.00 C ATOM 1288 O LEU A 86 14.202 0.955 3.403 1.00 0.00 O ATOM 1289 CB LEU A 86 11.051 0.846 2.384 1.00 0.00 C ATOM 1290 CG LEU A 86 9.611 0.340 2.291 1.00 0.00 C ATOM 1291 CD1 LEU A 86 8.802 1.206 1.337 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.585 -1.115 1.846 1.00 0.00 C ATOM 0 H LEU A 86 11.684 1.934 4.607 1.00 0.00 H new ATOM 0 HA LEU A 86 11.580 -0.825 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.026 1.920 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.530 0.698 1.416 1.00 0.00 H new ATOM 0 HG LEU A 86 9.158 0.405 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.780 0.831 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.793 2.234 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.253 1.174 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.552 -1.459 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.055 -1.204 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.129 -1.726 2.567 1.00 0.00 H new ATOM 1304 N THR A 87 13.676 -0.817 2.120 1.00 0.00 N ATOM 1305 CA THR A 87 15.026 -0.974 1.594 1.00 0.00 C ATOM 1306 C THR A 87 15.316 0.056 0.508 1.00 0.00 C ATOM 1307 O THR A 87 14.408 0.726 0.015 1.00 0.00 O ATOM 1308 CB THR A 87 15.243 -2.386 1.017 1.00 0.00 C ATOM 1309 OG1 THR A 87 14.482 -3.343 1.764 1.00 0.00 O ATOM 1310 CG2 THR A 87 16.716 -2.764 1.051 1.00 0.00 C ATOM 0 H THR A 87 13.004 -1.497 1.766 1.00 0.00 H new ATOM 0 HA THR A 87 15.710 -0.821 2.428 1.00 0.00 H new ATOM 0 HB THR A 87 14.908 -2.386 -0.020 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.056 -3.975 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 87 16.844 -3.765 0.639 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.288 -2.051 0.458 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.072 -2.748 2.081 1.00 0.00 H new ATOM 1318 N LEU A 88 16.586 0.177 0.139 1.00 0.00 N ATOM 1319 CA LEU A 88 16.997 1.126 -0.890 1.00 0.00 C ATOM 1320 C LEU A 88 17.683 0.410 -2.049 1.00 0.00 C ATOM 1321 O LEU A 88 18.024 -0.769 -1.948 1.00 0.00 O ATOM 1322 CB LEU A 88 17.936 2.177 -0.297 1.00 0.00 C ATOM 1323 CG LEU A 88 17.602 2.656 1.116 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.793 3.371 1.733 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.383 3.566 1.096 1.00 0.00 C ATOM 0 H LEU A 88 17.349 -0.370 0.537 1.00 0.00 H new ATOM 0 HA LEU A 88 16.103 1.620 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.947 1.770 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 88 17.945 3.042 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 88 17.370 1.785 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.536 3.705 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.641 2.688 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.057 4.233 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.160 3.897 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.586 4.433 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.528 3.020 0.696 1.00 0.00 H new ATOM 1337 N ASP A 89 17.883 1.129 -3.147 1.00 0.00 N ATOM 1338 CA ASP A 89 18.532 0.564 -4.325 1.00 0.00 C ATOM 1339 C ASP A 89 17.937 -0.798 -4.671 1.00 0.00 C ATOM 1340 O ASP A 89 18.638 -1.690 -5.149 1.00 0.00 O ATOM 1341 CB ASP A 89 20.037 0.432 -4.090 1.00 0.00 C ATOM 1342 CG ASP A 89 20.759 -0.164 -5.282 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.671 0.420 -6.383 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.413 -1.215 -5.115 1.00 0.00 O ATOM 0 H ASP A 89 17.605 2.105 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 89 18.361 1.239 -5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.455 1.414 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.212 -0.192 -3.214 1.00 0.00 H new ATOM 1349 N THR A 90 16.640 -0.951 -4.426 1.00 0.00 N ATOM 1350 CA THR A 90 15.951 -2.204 -4.709 1.00 0.00 C ATOM 1351 C THR A 90 14.542 -1.951 -5.232 1.00 0.00 C ATOM 1352 O THR A 90 13.773 -1.175 -4.664 1.00 0.00 O ATOM 1353 CB THR A 90 15.869 -3.096 -3.456 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.187 -3.404 -2.987 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.119 -4.385 -3.758 1.00 0.00 C ATOM 0 H THR A 90 16.045 -0.222 -4.032 1.00 0.00 H new ATOM 0 HA THR A 90 16.533 -2.718 -5.474 1.00 0.00 H new ATOM 0 HB THR A 90 15.327 -2.551 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.596 -2.598 -2.607 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.074 -4.999 -2.858 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.107 -4.149 -4.087 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.638 -4.932 -4.545 1.00 0.00 H new ATOM 1363 N PRO A 91 14.192 -2.621 -6.340 1.00 0.00 N ATOM 1364 CA PRO A 91 12.872 -2.486 -6.963 1.00 0.00 C ATOM 1365 C PRO A 91 11.765 -3.108 -6.118 1.00 0.00 C ATOM 1366 O PRO A 91 11.800 -4.301 -5.814 1.00 0.00 O ATOM 1367 CB PRO A 91 13.024 -3.241 -8.286 1.00 0.00 C ATOM 1368 CG PRO A 91 14.114 -4.225 -8.036 1.00 0.00 C ATOM 1369 CD PRO A 91 15.057 -3.563 -7.070 1.00 0.00 C ATOM 0 HA PRO A 91 12.584 -1.442 -7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.096 -3.740 -8.566 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.281 -2.564 -9.101 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.716 -5.151 -7.620 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.625 -4.485 -8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.519 -4.287 -6.399 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.866 -3.047 -7.588 1.00 0.00 H new ATOM 1377 N TYR A 92 10.785 -2.295 -5.743 1.00 0.00 N ATOM 1378 CA TYR A 92 9.669 -2.766 -4.931 1.00 0.00 C ATOM 1379 C TYR A 92 8.345 -2.583 -5.667 1.00 0.00 C ATOM 1380 O TYR A 92 8.057 -1.507 -6.192 1.00 0.00 O ATOM 1381 CB TYR A 92 9.631 -2.020 -3.596 1.00 0.00 C ATOM 1382 CG TYR A 92 10.424 -2.697 -2.502 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.813 -2.648 -2.491 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.785 -3.385 -1.477 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.541 -3.266 -1.493 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.505 -4.004 -0.475 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.883 -3.942 -0.487 1.00 0.00 C ATOM 1388 OH TYR A 92 12.605 -4.558 0.510 1.00 0.00 O ATOM 0 H TYR A 92 10.740 -1.306 -5.988 1.00 0.00 H new ATOM 0 HA TYR A 92 9.814 -3.829 -4.741 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.017 -1.011 -3.742 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.594 -1.921 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.332 -2.118 -3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.706 -3.436 -1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.620 -3.220 -1.500 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.992 -4.534 0.314 1.00 0.00 H new ATOM 0 HH TYR A 92 11.991 -4.988 1.141 1.00 0.00 H new ATOM 1398 N TYR A 93 7.543 -3.641 -5.700 1.00 0.00 N ATOM 1399 CA TYR A 93 6.250 -3.600 -6.372 1.00 0.00 C ATOM 1400 C TYR A 93 5.117 -3.430 -5.364 1.00 0.00 C ATOM 1401 O TYR A 93 4.987 -4.212 -4.421 1.00 0.00 O ATOM 1402 CB TYR A 93 6.035 -4.875 -7.188 1.00 0.00 C ATOM 1403 CG TYR A 93 7.283 -5.364 -7.888 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.192 -6.188 -7.235 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.552 -5.003 -9.202 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.333 -6.636 -7.871 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.691 -5.448 -9.846 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.579 -6.264 -9.176 1.00 0.00 C ATOM 1409 OH TYR A 93 10.714 -6.709 -9.813 1.00 0.00 O ATOM 0 H TYR A 93 7.766 -4.538 -5.269 1.00 0.00 H new ATOM 0 HA TYR A 93 6.246 -2.742 -7.044 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.667 -5.661 -6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.259 -4.694 -7.932 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.003 -6.483 -6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.859 -4.364 -9.729 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.030 -7.275 -7.349 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.885 -5.159 -10.868 1.00 0.00 H new ATOM 0 HH TYR A 93 10.735 -6.357 -10.727 1.00 0.00 H new ATOM 1419 N PHE A 94 4.299 -2.404 -5.570 1.00 0.00 N ATOM 1420 CA PHE A 94 3.177 -2.130 -4.681 1.00 0.00 C ATOM 1421 C PHE A 94 1.849 -2.427 -5.372 1.00 0.00 C ATOM 1422 O PHE A 94 1.745 -2.360 -6.597 1.00 0.00 O ATOM 1423 CB PHE A 94 3.209 -0.672 -4.219 1.00 0.00 C ATOM 1424 CG PHE A 94 4.509 -0.274 -3.581 1.00 0.00 C ATOM 1425 CD1 PHE A 94 4.706 -0.436 -2.219 1.00 0.00 C ATOM 1426 CD2 PHE A 94 5.534 0.263 -4.343 1.00 0.00 C ATOM 1427 CE1 PHE A 94 5.901 -0.070 -1.629 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.732 0.630 -3.759 1.00 0.00 C ATOM 1429 CZ PHE A 94 6.916 0.463 -2.401 1.00 0.00 C ATOM 0 H PHE A 94 4.392 -1.748 -6.346 1.00 0.00 H new ATOM 0 HA PHE A 94 3.268 -2.782 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.020 -0.024 -5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.399 -0.506 -3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.917 -0.853 -1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.395 0.396 -5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.042 -0.200 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.523 1.047 -4.364 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.851 0.748 -1.943 1.00 0.00 H new ATOM 1439 N LYS A 95 0.836 -2.756 -4.578 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.486 -3.063 -5.112 1.00 0.00 C ATOM 1441 C LYS A 95 -1.578 -2.419 -4.263 1.00 0.00 C ATOM 1442 O LYS A 95 -1.498 -2.410 -3.034 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.696 -4.578 -5.169 1.00 0.00 C ATOM 1444 CG LYS A 95 0.127 -5.266 -6.243 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.524 -6.560 -6.701 1.00 0.00 C ATOM 1446 CE LYS A 95 -0.267 -7.692 -5.718 1.00 0.00 C ATOM 1447 NZ LYS A 95 -0.253 -9.020 -6.391 1.00 0.00 N ATOM 0 H LYS A 95 0.905 -2.817 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.547 -2.656 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.445 -5.008 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.752 -4.784 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.247 -4.597 -7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.125 -5.476 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.598 -6.409 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.138 -6.835 -7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.688 -7.529 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.037 -7.684 -4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.075 -9.764 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.172 -9.188 -6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.498 -9.037 -7.110 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.597 -1.883 -4.926 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.706 -1.239 -4.232 1.00 0.00 C ATOM 1463 C ILE A 96 -5.024 -1.947 -4.527 1.00 0.00 C ATOM 1464 O ILE A 96 -5.275 -2.364 -5.657 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.832 0.244 -4.626 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.500 0.966 -4.411 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -4.939 0.913 -3.824 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.279 2.121 -5.364 1.00 0.00 C ATOM 0 H ILE A 96 -2.678 -1.882 -5.943 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.492 -1.305 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.090 0.303 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.458 1.337 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.685 0.251 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.016 1.961 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.886 0.411 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.709 0.847 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.316 2.586 -5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.289 1.753 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.073 2.856 -5.235 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.862 -2.075 -3.504 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.156 -2.731 -3.655 1.00 0.00 C ATOM 1482 C GLN A 97 -8.208 -2.070 -2.771 1.00 0.00 C ATOM 1483 O GLN A 97 -7.920 -1.665 -1.645 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.042 -4.216 -3.309 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.380 -4.937 -3.273 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.381 -6.117 -2.321 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.183 -5.958 -1.116 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.606 -7.311 -2.858 1.00 0.00 N ATOM 0 H GLN A 97 -5.669 -1.734 -2.562 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.467 -2.630 -4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.396 -4.702 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.557 -4.318 -2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.159 -4.235 -2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.629 -5.284 -4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.765 -7.397 -3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.620 -8.142 -2.267 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.427 -1.963 -3.288 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.522 -1.353 -2.545 1.00 0.00 C ATOM 1499 C ALA A 98 -11.480 -2.412 -2.010 1.00 0.00 C ATOM 1500 O ALA A 98 -11.760 -3.406 -2.681 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.268 -0.360 -3.423 1.00 0.00 C ATOM 0 H ALA A 98 -9.681 -2.291 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.097 -0.821 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.083 0.088 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.583 0.421 -3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.673 -0.877 -4.293 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.980 -2.194 -0.798 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.905 -3.131 -0.172 1.00 0.00 C ATOM 1509 C ARG A 99 -13.941 -2.392 0.669 1.00 0.00 C ATOM 1510 O ARG A 99 -13.660 -1.334 1.230 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.141 -4.129 0.700 1.00 0.00 C ATOM 1512 CG ARG A 99 -11.364 -3.478 1.832 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.164 -4.438 2.995 1.00 0.00 C ATOM 1514 NE ARG A 99 -10.388 -3.835 4.075 1.00 0.00 N ATOM 1515 CZ ARG A 99 -10.211 -4.408 5.261 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -10.751 -5.591 5.516 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -9.492 -3.796 6.193 1.00 0.00 N ATOM 0 H ARG A 99 -11.760 -1.376 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.424 -3.673 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.846 -4.846 1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.450 -4.692 0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.394 -3.144 1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.896 -2.592 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.135 -4.751 3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.656 -5.335 2.641 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.958 -2.925 3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.304 -6.064 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.614 -6.029 6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.075 -2.886 5.999 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.356 -4.236 7.103 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.141 -2.958 0.752 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.220 -2.352 1.524 1.00 0.00 C ATOM 1533 C ASN A 100 -16.734 -3.316 2.589 1.00 0.00 C ATOM 1534 O ASN A 100 -16.218 -4.423 2.740 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.366 -1.937 0.599 1.00 0.00 C ATOM 1536 CG ASN A 100 -16.871 -1.365 -0.715 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -15.682 -1.088 -0.875 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -17.783 -1.185 -1.663 1.00 0.00 N ATOM 0 H ASN A 100 -15.391 -3.835 0.294 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.825 -1.466 2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.000 -2.801 0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.986 -1.196 1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -17.509 -0.803 -2.568 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.757 -1.429 -1.486 1.00 0.00 H new ATOM 1545 N SER A 101 -17.755 -2.887 3.324 1.00 0.00 N ATOM 1546 CA SER A 101 -18.338 -3.710 4.377 1.00 0.00 C ATOM 1547 C SER A 101 -18.543 -5.144 3.896 1.00 0.00 C ATOM 1548 O SER A 101 -18.274 -6.100 4.623 1.00 0.00 O ATOM 1549 CB SER A 101 -19.672 -3.119 4.836 1.00 0.00 C ATOM 1550 OG SER A 101 -20.030 -3.604 6.119 1.00 0.00 O ATOM 0 H SER A 101 -18.196 -1.974 3.210 1.00 0.00 H new ATOM 0 HA SER A 101 -17.645 -3.723 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.602 -2.032 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.452 -3.372 4.118 1.00 0.00 H new ATOM 0 HG SER A 101 -20.885 -3.210 6.391 1.00 0.00 H new ATOM 1556 N LYS A 102 -19.020 -5.285 2.664 1.00 0.00 N ATOM 1557 CA LYS A 102 -19.261 -6.600 2.082 1.00 0.00 C ATOM 1558 C LYS A 102 -17.970 -7.410 2.016 1.00 0.00 C ATOM 1559 O LYS A 102 -17.787 -8.365 2.770 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.858 -6.458 0.680 1.00 0.00 C ATOM 1561 CG LYS A 102 -21.170 -5.693 0.652 1.00 0.00 C ATOM 1562 CD LYS A 102 -22.292 -6.486 1.300 1.00 0.00 C ATOM 1563 CE LYS A 102 -22.752 -7.630 0.410 1.00 0.00 C ATOM 1564 NZ LYS A 102 -23.850 -7.213 -0.506 1.00 0.00 N ATOM 0 H LYS A 102 -19.248 -4.504 2.049 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.969 -7.128 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.138 -5.951 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -20.017 -7.451 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.049 -4.742 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.435 -5.462 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -21.953 -6.882 2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -23.133 -5.825 1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.909 -7.996 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -23.092 -8.459 1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -24.519 -8.000 -0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -24.348 -6.395 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -23.451 -6.953 -1.430 1.00 0.00 H new ATOM 1578 N GLY A 103 -17.077 -7.021 1.111 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.815 -7.721 0.966 1.00 0.00 C ATOM 1580 C GLY A 103 -14.772 -6.893 0.243 1.00 0.00 C ATOM 1581 O GLY A 103 -14.802 -5.663 0.293 1.00 0.00 O ATOM 0 H GLY A 103 -17.206 -6.233 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.439 -7.993 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.979 -8.650 0.420 1.00 0.00 H new ATOM 1585 N MET A 104 -13.845 -7.567 -0.431 1.00 0.00 N ATOM 1586 CA MET A 104 -12.788 -6.884 -1.167 1.00 0.00 C ATOM 1587 C MET A 104 -12.959 -7.077 -2.670 1.00 0.00 C ATOM 1588 O MET A 104 -13.634 -8.006 -3.113 1.00 0.00 O ATOM 1589 CB MET A 104 -11.416 -7.399 -0.727 1.00 0.00 C ATOM 1590 CG MET A 104 -11.214 -7.382 0.779 1.00 0.00 C ATOM 1591 SD MET A 104 -9.482 -7.555 1.250 1.00 0.00 S ATOM 1592 CE MET A 104 -9.349 -9.334 1.404 1.00 0.00 C ATOM 0 H MET A 104 -13.805 -8.585 -0.482 1.00 0.00 H new ATOM 0 HA MET A 104 -12.856 -5.819 -0.946 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.286 -8.418 -1.091 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.642 -6.792 -1.196 1.00 0.00 H new ATOM 0 HG2 MET A 104 -11.605 -6.448 1.183 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.791 -8.190 1.228 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.332 -9.599 1.692 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.045 -9.686 2.165 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.589 -9.801 0.449 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.343 -6.194 -3.450 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.441 -6.286 -4.896 1.00 0.00 C ATOM 1604 C GLY A 105 -11.160 -6.788 -5.533 1.00 0.00 C ATOM 1605 O GLY A 105 -10.263 -7.294 -4.858 1.00 0.00 O ATOM 0 H GLY A 105 -11.778 -5.417 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.261 -6.954 -5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.686 -5.305 -5.304 1.00 0.00 H new ATOM 1609 N PRO A 106 -11.063 -6.651 -6.863 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.888 -7.089 -7.621 1.00 0.00 C ATOM 1611 C PRO A 106 -8.664 -6.222 -7.344 1.00 0.00 C ATOM 1612 O PRO A 106 -8.775 -5.007 -7.187 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.329 -6.940 -9.079 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.389 -5.894 -9.049 1.00 0.00 C ATOM 1615 CD PRO A 106 -12.094 -6.057 -7.731 1.00 0.00 C ATOM 0 HA PRO A 106 -9.586 -8.102 -7.355 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.496 -6.642 -9.716 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.712 -7.881 -9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.957 -4.898 -9.140 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -12.083 -6.017 -9.881 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.445 -5.101 -7.342 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.966 -6.704 -7.819 1.00 0.00 H new ATOM 1623 N MET A 107 -7.497 -6.855 -7.287 1.00 0.00 N ATOM 1624 CA MET A 107 -6.252 -6.141 -7.031 1.00 0.00 C ATOM 1625 C MET A 107 -5.776 -5.412 -8.284 1.00 0.00 C ATOM 1626 O MET A 107 -6.096 -5.809 -9.404 1.00 0.00 O ATOM 1627 CB MET A 107 -5.171 -7.111 -6.550 1.00 0.00 C ATOM 1628 CG MET A 107 -5.270 -7.446 -5.070 1.00 0.00 C ATOM 1629 SD MET A 107 -6.370 -8.837 -4.745 1.00 0.00 S ATOM 1630 CE MET A 107 -5.791 -9.355 -3.131 1.00 0.00 C ATOM 0 H MET A 107 -7.388 -7.861 -7.415 1.00 0.00 H new ATOM 0 HA MET A 107 -6.440 -5.403 -6.251 1.00 0.00 H new ATOM 0 HB2 MET A 107 -5.238 -8.033 -7.128 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.191 -6.679 -6.752 1.00 0.00 H new ATOM 0 HG2 MET A 107 -4.276 -7.676 -4.686 1.00 0.00 H new ATOM 0 HG3 MET A 107 -5.627 -6.571 -4.526 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.582 -9.902 -2.619 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.920 -10.000 -3.247 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.518 -8.478 -2.544 1.00 0.00 H new ATOM 1640 N SER A 108 -5.009 -4.344 -8.087 1.00 0.00 N ATOM 1641 CA SER A 108 -4.492 -3.558 -9.201 1.00 0.00 C ATOM 1642 C SER A 108 -3.230 -4.194 -9.776 1.00 0.00 C ATOM 1643 O SER A 108 -2.732 -5.191 -9.253 1.00 0.00 O ATOM 1644 CB SER A 108 -4.195 -2.127 -8.748 1.00 0.00 C ATOM 1645 OG SER A 108 -3.361 -1.461 -9.680 1.00 0.00 O ATOM 0 H SER A 108 -4.732 -4.003 -7.166 1.00 0.00 H new ATOM 0 HA SER A 108 -5.253 -3.534 -9.981 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.129 -1.577 -8.633 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.713 -2.144 -7.771 1.00 0.00 H new ATOM 0 HG SER A 108 -3.187 -0.548 -9.369 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.719 -3.610 -10.855 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.516 -4.120 -11.501 1.00 0.00 C ATOM 1653 C GLU A 109 -0.273 -3.780 -10.684 1.00 0.00 C ATOM 1654 O GLU A 109 -0.202 -2.727 -10.052 1.00 0.00 O ATOM 1655 CB GLU A 109 -1.385 -3.543 -12.912 1.00 0.00 C ATOM 1656 CG GLU A 109 -2.489 -3.988 -13.857 1.00 0.00 C ATOM 1657 CD GLU A 109 -2.221 -5.351 -14.466 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -1.108 -5.555 -14.995 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -3.123 -6.212 -14.413 1.00 0.00 O ATOM 0 H GLU A 109 -3.119 -2.784 -11.300 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.602 -5.205 -11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.387 -2.455 -12.852 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.422 -3.838 -13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.435 -4.015 -13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.598 -3.253 -14.654 1.00 0.00 H new ATOM 1666 N ALA A 110 0.703 -4.681 -10.701 1.00 0.00 N ATOM 1667 CA ALA A 110 1.944 -4.477 -9.963 1.00 0.00 C ATOM 1668 C ALA A 110 2.615 -3.169 -10.367 1.00 0.00 C ATOM 1669 O ALA A 110 3.007 -2.992 -11.521 1.00 0.00 O ATOM 1670 CB ALA A 110 2.889 -5.649 -10.185 1.00 0.00 C ATOM 0 H ALA A 110 0.659 -5.559 -11.218 1.00 0.00 H new ATOM 0 HA ALA A 110 1.701 -4.417 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.811 -5.483 -9.628 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.416 -6.568 -9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.117 -5.736 -11.247 1.00 0.00 H new ATOM 1676 N VAL A 111 2.743 -2.255 -9.411 1.00 0.00 N ATOM 1677 CA VAL A 111 3.367 -0.962 -9.668 1.00 0.00 C ATOM 1678 C VAL A 111 4.845 -0.982 -9.297 1.00 0.00 C ATOM 1679 O VAL A 111 5.199 -1.011 -8.119 1.00 0.00 O ATOM 1680 CB VAL A 111 2.667 0.165 -8.885 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.352 1.498 -9.141 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.193 0.233 -9.254 1.00 0.00 C ATOM 0 H VAL A 111 2.423 -2.386 -8.451 1.00 0.00 H new ATOM 0 HA VAL A 111 3.266 -0.769 -10.736 1.00 0.00 H new ATOM 0 HB VAL A 111 2.741 -0.055 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.844 2.282 -8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.393 1.440 -8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.311 1.729 -10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.714 1.034 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.094 0.429 -10.322 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.714 -0.716 -9.013 1.00 0.00 H new ATOM 1692 N GLN A 112 5.704 -0.966 -10.311 1.00 0.00 N ATOM 1693 CA GLN A 112 7.146 -0.983 -10.091 1.00 0.00 C ATOM 1694 C GLN A 112 7.649 0.396 -9.678 1.00 0.00 C ATOM 1695 O GLN A 112 7.474 1.375 -10.404 1.00 0.00 O ATOM 1696 CB GLN A 112 7.871 -1.446 -11.356 1.00 0.00 C ATOM 1697 CG GLN A 112 9.336 -1.782 -11.128 1.00 0.00 C ATOM 1698 CD GLN A 112 10.144 -1.766 -12.411 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.640 -1.396 -13.471 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.406 -2.169 -12.320 1.00 0.00 N ATOM 0 H GLN A 112 5.427 -0.941 -11.292 1.00 0.00 H new ATOM 0 HA GLN A 112 7.357 -1.684 -9.283 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.363 -2.324 -11.755 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.799 -0.665 -12.113 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.764 -1.068 -10.425 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.412 -2.767 -10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.782 -2.467 -11.420 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.999 -2.180 -13.150 1.00 0.00 H new ATOM 1709 N PHE A 113 8.275 0.467 -8.508 1.00 0.00 N ATOM 1710 CA PHE A 113 8.803 1.727 -7.998 1.00 0.00 C ATOM 1711 C PHE A 113 10.171 1.522 -7.354 1.00 0.00 C ATOM 1712 O PHE A 113 10.284 0.904 -6.295 1.00 0.00 O ATOM 1713 CB PHE A 113 7.835 2.336 -6.983 1.00 0.00 C ATOM 1714 CG PHE A 113 8.433 3.458 -6.183 1.00 0.00 C ATOM 1715 CD1 PHE A 113 9.155 3.196 -5.030 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.272 4.774 -6.583 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.707 4.226 -4.291 1.00 0.00 C ATOM 1718 CE2 PHE A 113 8.822 5.808 -5.849 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.539 5.534 -4.701 1.00 0.00 C ATOM 0 H PHE A 113 8.429 -0.334 -7.895 1.00 0.00 H new ATOM 0 HA PHE A 113 8.916 2.412 -8.838 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.954 2.705 -7.509 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.496 1.555 -6.302 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.288 2.175 -4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.710 4.995 -7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.269 4.008 -3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.691 6.830 -6.173 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.967 6.341 -4.125 1.00 0.00 H new ATOM 1729 N ARG A 114 11.208 2.044 -8.001 1.00 0.00 N ATOM 1730 CA ARG A 114 12.568 1.918 -7.493 1.00 0.00 C ATOM 1731 C ARG A 114 12.773 2.795 -6.261 1.00 0.00 C ATOM 1732 O ARG A 114 12.353 3.952 -6.233 1.00 0.00 O ATOM 1733 CB ARG A 114 13.578 2.300 -8.577 1.00 0.00 C ATOM 1734 CG ARG A 114 14.904 1.567 -8.460 1.00 0.00 C ATOM 1735 CD ARG A 114 15.681 1.608 -9.766 1.00 0.00 C ATOM 1736 NE ARG A 114 15.929 2.976 -10.213 1.00 0.00 N ATOM 1737 CZ ARG A 114 16.311 3.289 -11.446 1.00 0.00 C ATOM 1738 NH1 ARG A 114 16.489 2.336 -12.350 1.00 0.00 N ATOM 1739 NH2 ARG A 114 16.516 4.557 -11.777 1.00 0.00 N ATOM 0 H ARG A 114 11.132 2.558 -8.878 1.00 0.00 H new ATOM 0 HA ARG A 114 12.727 0.878 -7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.144 2.094 -9.555 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.761 3.374 -8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.501 2.017 -7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.724 0.530 -8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 114 16.632 1.090 -9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.126 1.070 -10.535 1.00 0.00 H new ATOM 0 HE ARG A 114 15.802 3.733 -9.541 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.333 1.360 -12.099 1.00 0.00 H new ATOM 0 HH12 ARG A 114 16.782 2.579 -13.296 1.00 0.00 H new ATOM 0 HH21 ARG A 114 16.380 5.293 -11.084 1.00 0.00 H new ATOM 0 HH22 ARG A 114 16.809 4.796 -12.724 1.00 0.00 H new ATOM 1753 N THR A 115 13.420 2.236 -5.243 1.00 0.00 N ATOM 1754 CA THR A 115 13.678 2.965 -4.008 1.00 0.00 C ATOM 1755 C THR A 115 14.826 3.953 -4.183 1.00 0.00 C ATOM 1756 O THR A 115 15.803 3.688 -4.883 1.00 0.00 O ATOM 1757 CB THR A 115 14.012 2.007 -2.849 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.840 0.939 -3.320 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.742 1.438 -2.235 1.00 0.00 C ATOM 0 H THR A 115 13.775 1.280 -5.250 1.00 0.00 H new ATOM 0 HA THR A 115 12.766 3.511 -3.766 1.00 0.00 H new ATOM 0 HB THR A 115 14.546 2.570 -2.084 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.276 0.207 -3.646 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.003 0.764 -1.419 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.127 2.252 -1.851 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.185 0.889 -2.994 1.00 0.00 H new ATOM 1767 N PRO A 116 14.708 5.119 -3.532 1.00 0.00 N ATOM 1768 CA PRO A 116 15.729 6.170 -3.599 1.00 0.00 C ATOM 1769 C PRO A 116 17.010 5.781 -2.871 1.00 0.00 C ATOM 1770 O PRO A 116 17.235 4.608 -2.571 1.00 0.00 O ATOM 1771 CB PRO A 116 15.060 7.359 -2.905 1.00 0.00 C ATOM 1772 CG PRO A 116 14.056 6.748 -1.990 1.00 0.00 C ATOM 1773 CD PRO A 116 13.571 5.503 -2.679 1.00 0.00 C ATOM 0 HA PRO A 116 16.036 6.375 -4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.787 7.956 -2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.585 8.023 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.502 6.511 -1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.232 7.435 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.323 4.719 -1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.674 5.693 -3.268 1.00 0.00 H new ATOM 1781 N LYS A 117 17.849 6.772 -2.589 1.00 0.00 N ATOM 1782 CA LYS A 117 19.109 6.534 -1.894 1.00 0.00 C ATOM 1783 C LYS A 117 19.350 7.596 -0.826 1.00 0.00 C ATOM 1784 O LYS A 117 18.718 8.652 -0.833 1.00 0.00 O ATOM 1785 CB LYS A 117 20.271 6.525 -2.890 1.00 0.00 C ATOM 1786 CG LYS A 117 20.207 5.382 -3.888 1.00 0.00 C ATOM 1787 CD LYS A 117 21.009 4.182 -3.415 1.00 0.00 C ATOM 1788 CE LYS A 117 20.592 3.748 -2.018 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.352 2.553 -1.558 1.00 0.00 N ATOM 0 H LYS A 117 17.679 7.748 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 117 19.048 5.561 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.281 7.470 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.210 6.464 -2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.168 5.089 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.588 5.718 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.871 3.354 -4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 117 22.071 4.428 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.751 4.570 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.525 3.525 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 21.535 2.630 -0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 20.796 1.694 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 22.256 2.499 -2.069 1.00 0.00 H new ATOM 1803 N ALA A 118 20.268 7.309 0.091 1.00 0.00 N ATOM 1804 CA ALA A 118 20.594 8.241 1.163 1.00 0.00 C ATOM 1805 C ALA A 118 21.579 9.303 0.687 1.00 0.00 C ATOM 1806 O ALA A 118 22.490 9.692 1.418 1.00 0.00 O ATOM 1807 CB ALA A 118 21.162 7.491 2.360 1.00 0.00 C ATOM 0 H ALA A 118 20.799 6.438 0.113 1.00 0.00 H new ATOM 0 HA ALA A 118 19.675 8.744 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.401 8.199 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.425 6.774 2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 118 22.067 6.961 2.062 1.00 0.00 H new ATOM 1813 N SER A 119 21.391 9.768 -0.544 1.00 0.00 N ATOM 1814 CA SER A 119 22.266 10.782 -1.120 1.00 0.00 C ATOM 1815 C SER A 119 22.026 12.140 -0.467 1.00 0.00 C ATOM 1816 O SER A 119 22.961 12.795 -0.009 1.00 0.00 O ATOM 1817 CB SER A 119 22.040 10.883 -2.630 1.00 0.00 C ATOM 1818 OG SER A 119 20.713 11.284 -2.922 1.00 0.00 O ATOM 0 H SER A 119 20.640 9.459 -1.162 1.00 0.00 H new ATOM 0 HA SER A 119 23.298 10.485 -0.933 1.00 0.00 H new ATOM 0 HB2 SER A 119 22.742 11.598 -3.059 1.00 0.00 H new ATOM 0 HB3 SER A 119 22.243 9.919 -3.096 1.00 0.00 H new ATOM 0 HG SER A 119 20.595 11.343 -3.893 1.00 0.00 H new ATOM 1824 N GLY A 120 20.764 12.558 -0.430 1.00 0.00 N ATOM 1825 CA GLY A 120 20.423 13.835 0.168 1.00 0.00 C ATOM 1826 C GLY A 120 21.094 15.001 -0.531 1.00 0.00 C ATOM 1827 O GLY A 120 22.096 15.540 -0.063 1.00 0.00 O ATOM 0 H GLY A 120 19.972 12.035 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 120 19.342 13.970 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.713 13.830 1.219 1.00 0.00 H new ATOM 1831 N PRO A 121 20.537 15.405 -1.683 1.00 0.00 N ATOM 1832 CA PRO A 121 21.072 16.517 -2.473 1.00 0.00 C ATOM 1833 C PRO A 121 20.871 17.865 -1.789 1.00 0.00 C ATOM 1834 O PRO A 121 21.781 18.693 -1.748 1.00 0.00 O ATOM 1835 CB PRO A 121 20.264 16.451 -3.772 1.00 0.00 C ATOM 1836 CG PRO A 121 18.988 15.783 -3.390 1.00 0.00 C ATOM 1837 CD PRO A 121 19.341 14.808 -2.301 1.00 0.00 C ATOM 0 HA PRO A 121 22.149 16.431 -2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 121 20.084 17.447 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.793 15.885 -4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 121 18.256 16.511 -3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 121 18.545 15.271 -4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 121 18.529 14.698 -1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 121 19.549 13.816 -2.702 1.00 0.00 H new ATOM 1845 N SER A 122 19.674 18.078 -1.252 1.00 0.00 N ATOM 1846 CA SER A 122 19.353 19.327 -0.572 1.00 0.00 C ATOM 1847 C SER A 122 18.867 19.062 0.850 1.00 0.00 C ATOM 1848 O SER A 122 18.163 18.084 1.105 1.00 0.00 O ATOM 1849 CB SER A 122 18.286 20.098 -1.352 1.00 0.00 C ATOM 1850 OG SER A 122 18.820 20.639 -2.548 1.00 0.00 O ATOM 0 H SER A 122 18.911 17.402 -1.275 1.00 0.00 H new ATOM 0 HA SER A 122 20.261 19.928 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 122 17.454 19.435 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 122 17.887 20.901 -0.732 1.00 0.00 H new ATOM 0 HG SER A 122 18.118 21.125 -3.029 1.00 0.00 H new ATOM 1856 N SER A 123 19.247 19.940 1.772 1.00 0.00 N ATOM 1857 CA SER A 123 18.854 19.800 3.169 1.00 0.00 C ATOM 1858 C SER A 123 17.469 20.395 3.407 1.00 0.00 C ATOM 1859 O SER A 123 16.594 19.749 3.980 1.00 0.00 O ATOM 1860 CB SER A 123 19.877 20.482 4.080 1.00 0.00 C ATOM 1861 OG SER A 123 21.134 19.831 4.012 1.00 0.00 O ATOM 0 H SER A 123 19.827 20.756 1.577 1.00 0.00 H new ATOM 0 HA SER A 123 18.819 18.736 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 123 19.989 21.526 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 123 19.515 20.475 5.108 1.00 0.00 H new ATOM 0 HG SER A 123 21.771 20.287 4.601 1.00 0.00 H new ATOM 1867 N GLY A 124 17.280 21.633 2.960 1.00 0.00 N ATOM 1868 CA GLY A 124 16.000 22.296 3.133 1.00 0.00 C ATOM 1869 C GLY A 124 16.025 23.736 2.659 1.00 0.00 C ATOM 1870 O GLY A 124 16.386 24.638 3.414 1.00 0.00 O ATOM 0 H GLY A 124 17.989 22.188 2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 124 15.234 21.749 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 124 15.719 22.268 4.186 1.00 0.00 H new TER 1874 GLY A 124