USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1005 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 74 SER OG : rot -88:sc= 1.45 USER MOD Set 1.2: A 75 LYS NZ :NH3+ -149:sc= 0.215 (180deg=0) USER MOD Set 2.1: A 2 SER OG : rot 4:sc= 1.3! USER MOD Set 2.2: A 5 SER OG : rot 94:sc= 1.34 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.564 (180deg=0.233) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.26 F(o=-2.9!,f=-0.26) USER MOD Single : A 8 THR OG1 : rot 91:sc= 0.478 USER MOD Single : A 9 GLN : amide:sc= -0.0977 X(o=-0.098,f=-0.098) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 57:sc= 0.0883 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc=-0.00913 F(o=-0.9,f=-0.0091) USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 29 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 66:sc= 0.588 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.506 K(o=-0.51,f=-2) USER MOD Single : A 47 TYR OH : rot 105:sc= 1.13 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -60:sc= 0.318 USER MOD Single : A 71 THR OG1 : rot 14:sc= -0.627 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-0.93!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.1!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-5.3!) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.611 F(o=-2.7!,f=-0.61) USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0659) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 70:sc=-0.00734 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.115 F(o=-1.4,f=-0.11) USER MOD Single : A 102 ASN : amide:sc= -0.066 X(o=-0.066,f=-0.0025) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0467) USER MOD Single : A 109 THR OG1 : rot -82:sc= 0.62 USER MOD Single : A 111 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.025) USER MOD Single : A 113 ASN : amide:sc= -3.78! C(o=-3.8!,f=-15!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.188 71.634 11.582 1.00 0.00 N ATOM 2 CA MET A 1 -19.853 70.406 11.062 1.00 0.00 C ATOM 3 C MET A 1 -18.798 69.341 10.778 1.00 0.00 C ATOM 4 O MET A 1 -17.842 69.583 10.041 1.00 0.00 O ATOM 5 CB MET A 1 -20.611 70.745 9.777 1.00 0.00 C ATOM 6 CG MET A 1 -21.379 72.055 9.964 1.00 0.00 C ATOM 7 SD MET A 1 -22.194 72.050 11.580 1.00 0.00 S ATOM 8 CE MET A 1 -23.884 72.292 10.982 1.00 0.00 C ATOM 0 H1 MET A 1 -19.904 72.274 11.981 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.507 71.373 12.323 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.689 72.113 10.806 1.00 0.00 H new ATOM 0 HA MET A 1 -20.556 70.026 11.803 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.913 70.837 8.945 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.301 69.940 9.527 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.697 72.902 9.891 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.119 72.172 9.172 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.569 72.320 11.829 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.945 73.232 10.434 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.158 71.469 10.322 1.00 0.00 H new ATOM 20 N SER A 2 -18.978 68.164 11.367 1.00 0.00 N ATOM 21 CA SER A 2 -18.034 67.070 11.169 1.00 0.00 C ATOM 22 C SER A 2 -18.657 65.978 10.305 1.00 0.00 C ATOM 23 O SER A 2 -19.113 64.954 10.814 1.00 0.00 O ATOM 24 CB SER A 2 -17.621 66.482 12.518 1.00 0.00 C ATOM 25 OG SER A 2 -18.670 65.662 13.013 1.00 0.00 O ATOM 0 H SER A 2 -19.762 67.944 11.981 1.00 0.00 H new ATOM 0 HA SER A 2 -17.153 67.463 10.662 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.708 65.897 12.409 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.405 67.282 13.226 1.00 0.00 H new ATOM 0 HG SER A 2 -19.390 65.616 12.350 1.00 0.00 H new ATOM 31 N THR A 3 -18.674 66.206 8.995 1.00 0.00 N ATOM 32 CA THR A 3 -19.247 65.236 8.067 1.00 0.00 C ATOM 33 C THR A 3 -18.586 63.871 8.239 1.00 0.00 C ATOM 34 O THR A 3 -19.164 62.843 7.887 1.00 0.00 O ATOM 35 CB THR A 3 -19.057 65.720 6.627 1.00 0.00 C ATOM 36 OG1 THR A 3 -19.203 67.133 6.583 1.00 0.00 O ATOM 37 CG2 THR A 3 -20.106 65.069 5.725 1.00 0.00 C ATOM 0 H THR A 3 -18.301 67.047 8.555 1.00 0.00 H new ATOM 0 HA THR A 3 -20.311 65.139 8.282 1.00 0.00 H new ATOM 0 HB THR A 3 -18.062 65.445 6.278 1.00 0.00 H new ATOM 0 HG1 THR A 3 -19.080 67.446 5.663 1.00 0.00 H new ATOM 0 HG21 THR A 3 -19.970 65.414 4.700 1.00 0.00 H new ATOM 0 HG22 THR A 3 -19.994 63.985 5.761 1.00 0.00 H new ATOM 0 HG23 THR A 3 -21.103 65.342 6.070 1.00 0.00 H new ATOM 45 N LEU A 4 -17.372 63.869 8.780 1.00 0.00 N ATOM 46 CA LEU A 4 -16.644 62.623 8.990 1.00 0.00 C ATOM 47 C LEU A 4 -17.494 61.631 9.780 1.00 0.00 C ATOM 48 O LEU A 4 -17.444 60.427 9.536 1.00 0.00 O ATOM 49 CB LEU A 4 -15.340 62.897 9.743 1.00 0.00 C ATOM 50 CG LEU A 4 -14.306 63.479 8.779 1.00 0.00 C ATOM 51 CD1 LEU A 4 -13.586 64.652 9.446 1.00 0.00 C ATOM 52 CD2 LEU A 4 -13.285 62.397 8.415 1.00 0.00 C ATOM 0 H LEU A 4 -16.875 64.708 9.079 1.00 0.00 H new ATOM 0 HA LEU A 4 -16.414 62.191 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.520 63.593 10.563 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.962 61.975 10.185 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.808 63.828 7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.849 65.066 8.757 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.311 65.423 9.708 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.084 64.305 10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.547 62.810 7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.785 62.050 9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.796 61.560 7.939 1.00 0.00 H new ATOM 64 N SER A 5 -18.273 62.147 10.726 1.00 0.00 N ATOM 65 CA SER A 5 -19.130 61.296 11.545 1.00 0.00 C ATOM 66 C SER A 5 -20.376 60.882 10.768 1.00 0.00 C ATOM 67 O SER A 5 -20.754 59.711 10.759 1.00 0.00 O ATOM 68 CB SER A 5 -19.541 62.037 12.816 1.00 0.00 C ATOM 69 OG SER A 5 -18.577 63.040 13.108 1.00 0.00 O ATOM 0 H SER A 5 -18.329 63.142 10.943 1.00 0.00 H new ATOM 0 HA SER A 5 -18.570 60.400 11.813 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.524 62.489 12.685 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.619 61.338 13.649 1.00 0.00 H new ATOM 0 HG SER A 5 -18.866 63.893 12.722 1.00 0.00 H new ATOM 75 N ASN A 6 -21.011 61.853 10.119 1.00 0.00 N ATOM 76 CA ASN A 6 -22.215 61.581 9.341 1.00 0.00 C ATOM 77 C ASN A 6 -21.923 60.576 8.232 1.00 0.00 C ATOM 78 O ASN A 6 -22.790 59.789 7.850 1.00 0.00 O ATOM 79 CB ASN A 6 -22.748 62.879 8.733 1.00 0.00 C ATOM 80 CG ASN A 6 -23.304 63.779 9.831 1.00 0.00 C ATOM 81 OD1 ASN A 6 -22.626 63.942 10.933 1.00 0.00 O flip ATOM 82 ND2 ASN A 6 -24.385 64.348 9.680 1.00 0.00 N flip ATOM 0 H ASN A 6 -20.715 62.829 10.116 1.00 0.00 H new ATOM 0 HA ASN A 6 -22.967 61.158 10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -21.950 63.394 8.198 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -23.528 62.656 8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -24.913 64.219 8.817 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -24.753 64.949 10.418 1.00 0.00 H new ATOM 89 N PHE A 7 -20.699 60.610 7.716 1.00 0.00 N ATOM 90 CA PHE A 7 -20.305 59.701 6.647 1.00 0.00 C ATOM 91 C PHE A 7 -20.538 58.251 7.060 1.00 0.00 C ATOM 92 O PHE A 7 -20.724 57.378 6.212 1.00 0.00 O ATOM 93 CB PHE A 7 -18.829 59.906 6.301 1.00 0.00 C ATOM 94 CG PHE A 7 -18.648 59.804 4.805 1.00 0.00 C ATOM 95 CD1 PHE A 7 -18.839 60.932 3.999 1.00 0.00 C ATOM 96 CD2 PHE A 7 -18.293 58.580 4.226 1.00 0.00 C ATOM 97 CE1 PHE A 7 -18.674 60.836 2.611 1.00 0.00 C ATOM 98 CE2 PHE A 7 -18.127 58.484 2.839 1.00 0.00 C ATOM 99 CZ PHE A 7 -18.317 59.612 2.032 1.00 0.00 C ATOM 0 H PHE A 7 -19.967 61.253 8.019 1.00 0.00 H new ATOM 0 HA PHE A 7 -20.915 59.918 5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -18.493 60.881 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -18.218 59.157 6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -19.113 61.876 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -18.147 57.710 4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -18.822 61.706 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -17.852 57.540 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 7 -18.188 59.538 0.962 1.00 0.00 H new ATOM 109 N THR A 8 -20.528 58.002 8.365 1.00 0.00 N ATOM 110 CA THR A 8 -20.744 56.652 8.871 1.00 0.00 C ATOM 111 C THR A 8 -22.019 56.065 8.275 1.00 0.00 C ATOM 112 O THR A 8 -22.100 54.864 8.019 1.00 0.00 O ATOM 113 CB THR A 8 -20.854 56.678 10.398 1.00 0.00 C ATOM 114 OG1 THR A 8 -19.616 57.094 10.954 1.00 0.00 O ATOM 115 CG2 THR A 8 -21.201 55.279 10.909 1.00 0.00 C ATOM 0 H THR A 8 -20.374 58.709 9.084 1.00 0.00 H new ATOM 0 HA THR A 8 -19.897 56.030 8.582 1.00 0.00 H new ATOM 0 HB THR A 8 -21.637 57.376 10.694 1.00 0.00 H new ATOM 0 HG1 THR A 8 -19.614 58.069 11.056 1.00 0.00 H new ATOM 0 HG21 THR A 8 -21.279 55.298 11.996 1.00 0.00 H new ATOM 0 HG22 THR A 8 -22.152 54.961 10.482 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.419 54.579 10.614 1.00 0.00 H new ATOM 123 N GLN A 9 -23.009 56.921 8.049 1.00 0.00 N ATOM 124 CA GLN A 9 -24.271 56.474 7.473 1.00 0.00 C ATOM 125 C GLN A 9 -24.029 55.849 6.104 1.00 0.00 C ATOM 126 O GLN A 9 -24.732 54.924 5.698 1.00 0.00 O ATOM 127 CB GLN A 9 -25.231 57.656 7.335 1.00 0.00 C ATOM 128 CG GLN A 9 -26.188 57.678 8.528 1.00 0.00 C ATOM 129 CD GLN A 9 -25.400 57.782 9.830 1.00 0.00 C ATOM 130 OE1 GLN A 9 -24.714 58.776 10.063 1.00 0.00 O ATOM 131 NE2 GLN A 9 -25.459 56.807 10.695 1.00 0.00 N ATOM 0 H GLN A 9 -22.963 57.919 8.254 1.00 0.00 H new ATOM 0 HA GLN A 9 -24.713 55.728 8.134 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -24.671 58.590 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -25.794 57.574 6.405 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -26.872 58.522 8.440 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -26.796 56.773 8.533 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -26.029 55.984 10.498 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -24.935 56.867 11.568 1.00 0.00 H new ATOM 140 N THR A 10 -23.027 56.364 5.402 1.00 0.00 N ATOM 141 CA THR A 10 -22.688 55.856 4.079 1.00 0.00 C ATOM 142 C THR A 10 -21.955 54.523 4.191 1.00 0.00 C ATOM 143 O THR A 10 -22.088 53.656 3.328 1.00 0.00 O ATOM 144 CB THR A 10 -21.804 56.868 3.346 1.00 0.00 C ATOM 145 OG1 THR A 10 -22.527 58.076 3.159 1.00 0.00 O ATOM 146 CG2 THR A 10 -21.391 56.303 1.986 1.00 0.00 C ATOM 0 H THR A 10 -22.437 57.130 5.726 1.00 0.00 H new ATOM 0 HA THR A 10 -23.610 55.704 3.518 1.00 0.00 H new ATOM 0 HB THR A 10 -20.911 57.065 3.939 1.00 0.00 H new ATOM 0 HG1 THR A 10 -21.962 58.726 2.691 1.00 0.00 H new ATOM 0 HG21 THR A 10 -20.762 57.026 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 10 -20.835 55.376 2.130 1.00 0.00 H new ATOM 0 HG23 THR A 10 -22.281 56.103 1.390 1.00 0.00 H new ATOM 154 N LEU A 11 -21.178 54.373 5.259 1.00 0.00 N ATOM 155 CA LEU A 11 -20.423 53.146 5.476 1.00 0.00 C ATOM 156 C LEU A 11 -21.347 51.933 5.493 1.00 0.00 C ATOM 157 O LEU A 11 -21.035 50.899 4.904 1.00 0.00 O ATOM 158 CB LEU A 11 -19.664 53.229 6.801 1.00 0.00 C ATOM 159 CG LEU A 11 -18.272 53.808 6.551 1.00 0.00 C ATOM 160 CD1 LEU A 11 -17.415 52.778 5.812 1.00 0.00 C ATOM 161 CD2 LEU A 11 -18.395 55.073 5.700 1.00 0.00 C ATOM 0 H LEU A 11 -21.056 55.081 5.983 1.00 0.00 H new ATOM 0 HA LEU A 11 -19.715 53.032 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.209 53.855 7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -19.583 52.239 7.250 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.803 54.053 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.422 53.191 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.329 51.875 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.882 52.533 4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.403 55.488 5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -18.864 54.826 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.006 55.807 6.225 1.00 0.00 H new ATOM 173 N GLU A 12 -22.483 52.064 6.168 1.00 0.00 N ATOM 174 CA GLU A 12 -23.438 50.965 6.247 1.00 0.00 C ATOM 175 C GLU A 12 -23.774 50.455 4.850 1.00 0.00 C ATOM 176 O GLU A 12 -23.947 49.255 4.640 1.00 0.00 O ATOM 177 CB GLU A 12 -24.714 51.430 6.950 1.00 0.00 C ATOM 178 CG GLU A 12 -24.412 51.698 8.426 1.00 0.00 C ATOM 179 CD GLU A 12 -24.512 50.402 9.224 1.00 0.00 C ATOM 180 OE1 GLU A 12 -23.688 49.529 9.008 1.00 0.00 O ATOM 181 OE2 GLU A 12 -25.412 50.303 10.044 1.00 0.00 O ATOM 0 H GLU A 12 -22.763 52.910 6.663 1.00 0.00 H new ATOM 0 HA GLU A 12 -22.989 50.154 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -25.095 52.334 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -25.490 50.670 6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -23.413 52.122 8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -25.113 52.433 8.821 1.00 0.00 H new ATOM 188 N ASP A 13 -23.858 51.378 3.896 1.00 0.00 N ATOM 189 CA ASP A 13 -24.165 51.016 2.518 1.00 0.00 C ATOM 190 C ASP A 13 -23.013 50.225 1.909 1.00 0.00 C ATOM 191 O ASP A 13 -23.225 49.279 1.149 1.00 0.00 O ATOM 192 CB ASP A 13 -24.413 52.276 1.688 1.00 0.00 C ATOM 193 CG ASP A 13 -24.482 51.919 0.208 1.00 0.00 C ATOM 194 OD1 ASP A 13 -23.442 51.631 -0.361 1.00 0.00 O ATOM 195 OD2 ASP A 13 -25.574 51.939 -0.336 1.00 0.00 O ATOM 0 H ASP A 13 -23.718 52.376 4.052 1.00 0.00 H new ATOM 0 HA ASP A 13 -25.063 50.398 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -25.344 52.750 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -23.614 52.998 1.860 1.00 0.00 H new ATOM 200 N VAL A 14 -21.793 50.617 2.257 1.00 0.00 N ATOM 201 CA VAL A 14 -20.605 49.940 1.750 1.00 0.00 C ATOM 202 C VAL A 14 -20.411 48.624 2.486 1.00 0.00 C ATOM 203 O VAL A 14 -20.189 47.581 1.872 1.00 0.00 O ATOM 204 CB VAL A 14 -19.374 50.826 1.944 1.00 0.00 C ATOM 205 CG1 VAL A 14 -18.157 50.159 1.302 1.00 0.00 C ATOM 206 CG2 VAL A 14 -19.617 52.185 1.283 1.00 0.00 C ATOM 0 H VAL A 14 -21.601 51.397 2.886 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.736 49.742 0.686 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.191 50.965 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.280 50.791 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.984 49.190 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -18.339 50.019 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -18.740 52.818 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -19.800 52.044 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.484 52.662 1.740 1.00 0.00 H new ATOM 216 N PHE A 15 -20.515 48.682 3.808 1.00 0.00 N ATOM 217 CA PHE A 15 -20.370 47.491 4.628 1.00 0.00 C ATOM 218 C PHE A 15 -21.406 46.459 4.212 1.00 0.00 C ATOM 219 O PHE A 15 -21.157 45.254 4.265 1.00 0.00 O ATOM 220 CB PHE A 15 -20.561 47.846 6.103 1.00 0.00 C ATOM 221 CG PHE A 15 -19.792 46.870 6.959 1.00 0.00 C ATOM 222 CD1 PHE A 15 -20.197 45.533 7.033 1.00 0.00 C ATOM 223 CD2 PHE A 15 -18.674 47.305 7.681 1.00 0.00 C ATOM 224 CE1 PHE A 15 -19.485 44.628 7.828 1.00 0.00 C ATOM 225 CE2 PHE A 15 -17.962 46.401 8.476 1.00 0.00 C ATOM 226 CZ PHE A 15 -18.367 45.062 8.550 1.00 0.00 C ATOM 0 H PHE A 15 -20.698 49.538 4.331 1.00 0.00 H new ATOM 0 HA PHE A 15 -19.370 47.080 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -20.215 48.862 6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -21.620 47.817 6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -21.060 45.199 6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -18.362 48.337 7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.798 43.596 7.885 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -17.099 46.735 9.033 1.00 0.00 H new ATOM 0 HZ PHE A 15 -17.817 44.365 9.164 1.00 0.00 H new ATOM 236 N ARG A 16 -22.570 46.945 3.792 1.00 0.00 N ATOM 237 CA ARG A 16 -23.644 46.060 3.360 1.00 0.00 C ATOM 238 C ARG A 16 -23.269 45.376 2.052 1.00 0.00 C ATOM 239 O ARG A 16 -23.406 44.161 1.912 1.00 0.00 O ATOM 240 CB ARG A 16 -24.939 46.855 3.172 1.00 0.00 C ATOM 241 CG ARG A 16 -25.826 46.689 4.408 1.00 0.00 C ATOM 242 CD ARG A 16 -26.203 45.215 4.572 1.00 0.00 C ATOM 243 NE ARG A 16 -27.613 45.090 4.920 1.00 0.00 N ATOM 244 CZ ARG A 16 -28.117 43.933 5.334 1.00 0.00 C ATOM 245 NH1 ARG A 16 -27.346 42.886 5.438 1.00 0.00 N ATOM 246 NH2 ARG A 16 -29.385 43.843 5.635 1.00 0.00 N ATOM 0 H ARG A 16 -22.792 47.939 3.742 1.00 0.00 H new ATOM 0 HA ARG A 16 -23.798 45.301 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -24.711 47.909 3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -25.466 46.506 2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -25.301 47.042 5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -26.726 47.296 4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -26.000 44.676 3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -25.588 44.759 5.348 1.00 0.00 H new ATOM 0 HE ARG A 16 -28.223 45.904 4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -26.356 42.956 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -27.733 41.997 5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -29.988 44.661 5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -29.772 42.954 5.953 1.00 0.00 H new ATOM 260 N ARG A 17 -22.790 46.166 1.097 1.00 0.00 N ATOM 261 CA ARG A 17 -22.390 45.630 -0.198 1.00 0.00 C ATOM 262 C ARG A 17 -21.099 44.829 -0.065 1.00 0.00 C ATOM 263 O ARG A 17 -20.900 43.833 -0.760 1.00 0.00 O ATOM 264 CB ARG A 17 -22.192 46.771 -1.197 1.00 0.00 C ATOM 265 CG ARG A 17 -23.546 47.167 -1.792 1.00 0.00 C ATOM 266 CD ARG A 17 -23.466 48.582 -2.370 1.00 0.00 C ATOM 267 NE ARG A 17 -22.860 48.553 -3.697 1.00 0.00 N ATOM 268 CZ ARG A 17 -23.349 49.277 -4.702 1.00 0.00 C ATOM 269 NH1 ARG A 17 -24.390 50.045 -4.516 1.00 0.00 N ATOM 270 NH2 ARG A 17 -22.786 49.221 -5.877 1.00 0.00 N ATOM 0 H ARG A 17 -22.670 47.174 1.195 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.178 44.969 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -21.736 47.628 -0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -21.511 46.461 -1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -23.831 46.461 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -24.318 47.121 -1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.464 49.016 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -22.879 49.220 -1.709 1.00 0.00 H new ATOM 0 HE ARG A 17 -22.043 47.964 -3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -24.832 50.092 -3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -24.761 50.598 -5.289 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.973 48.623 -6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -23.159 49.775 -6.648 1.00 0.00 H new ATOM 284 N ILE A 18 -20.225 45.272 0.833 1.00 0.00 N ATOM 285 CA ILE A 18 -18.955 44.586 1.052 1.00 0.00 C ATOM 286 C ILE A 18 -19.194 43.139 1.471 1.00 0.00 C ATOM 287 O ILE A 18 -18.417 42.252 1.133 1.00 0.00 O ATOM 288 CB ILE A 18 -18.155 45.303 2.142 1.00 0.00 C ATOM 289 CG1 ILE A 18 -17.386 46.474 1.524 1.00 0.00 C ATOM 290 CG2 ILE A 18 -17.166 44.326 2.781 1.00 0.00 C ATOM 291 CD1 ILE A 18 -16.052 45.975 0.965 1.00 0.00 C ATOM 0 H ILE A 18 -20.370 46.096 1.417 1.00 0.00 H new ATOM 0 HA ILE A 18 -18.393 44.597 0.118 1.00 0.00 H new ATOM 0 HB ILE A 18 -18.838 45.677 2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -17.976 46.931 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -17.212 47.244 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.598 44.839 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -17.712 43.492 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -16.483 43.950 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -15.506 46.810 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.461 45.539 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -16.237 45.220 0.201 1.00 0.00 H new ATOM 303 N PHE A 19 -20.276 42.915 2.209 1.00 0.00 N ATOM 304 CA PHE A 19 -20.621 41.577 2.679 1.00 0.00 C ATOM 305 C PHE A 19 -21.113 40.727 1.518 1.00 0.00 C ATOM 306 O PHE A 19 -20.598 39.636 1.272 1.00 0.00 O ATOM 307 CB PHE A 19 -21.710 41.666 3.750 1.00 0.00 C ATOM 308 CG PHE A 19 -21.690 40.416 4.598 1.00 0.00 C ATOM 309 CD1 PHE A 19 -20.614 40.173 5.460 1.00 0.00 C ATOM 310 CD2 PHE A 19 -22.748 39.502 4.523 1.00 0.00 C ATOM 311 CE1 PHE A 19 -20.597 39.014 6.247 1.00 0.00 C ATOM 312 CE2 PHE A 19 -22.730 38.345 5.310 1.00 0.00 C ATOM 313 CZ PHE A 19 -21.654 38.101 6.173 1.00 0.00 C ATOM 0 H PHE A 19 -20.930 43.643 2.495 1.00 0.00 H new ATOM 0 HA PHE A 19 -19.732 41.114 3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.549 42.544 4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -22.687 41.784 3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.798 40.878 5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -23.578 39.690 3.858 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -19.767 38.825 6.912 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -23.546 37.640 5.252 1.00 0.00 H new ATOM 0 HZ PHE A 19 -21.641 37.208 6.781 1.00 0.00 H new ATOM 323 N ILE A 20 -22.094 41.245 0.786 1.00 0.00 N ATOM 324 CA ILE A 20 -22.613 40.528 -0.366 1.00 0.00 C ATOM 325 C ILE A 20 -21.511 40.438 -1.405 1.00 0.00 C ATOM 326 O ILE A 20 -21.353 39.424 -2.084 1.00 0.00 O ATOM 327 CB ILE A 20 -23.822 41.262 -0.949 1.00 0.00 C ATOM 328 CG1 ILE A 20 -24.863 41.481 0.153 1.00 0.00 C ATOM 329 CG2 ILE A 20 -24.435 40.424 -2.073 1.00 0.00 C ATOM 330 CD1 ILE A 20 -25.742 40.235 0.284 1.00 0.00 C ATOM 0 H ILE A 20 -22.538 42.145 0.968 1.00 0.00 H new ATOM 0 HA ILE A 20 -22.933 39.530 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.506 42.226 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -24.366 41.689 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -25.478 42.350 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.296 40.947 -2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -23.693 40.267 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -24.753 39.460 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -26.482 40.393 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.250 40.047 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -25.121 39.376 0.539 1.00 0.00 H new ATOM 342 N THR A 21 -20.732 41.511 -1.491 1.00 0.00 N ATOM 343 CA THR A 21 -19.613 41.571 -2.414 1.00 0.00 C ATOM 344 C THR A 21 -18.465 40.717 -1.892 1.00 0.00 C ATOM 345 O THR A 21 -17.773 40.052 -2.662 1.00 0.00 O ATOM 346 CB THR A 21 -19.141 43.019 -2.577 1.00 0.00 C ATOM 347 OG1 THR A 21 -20.251 43.842 -2.907 1.00 0.00 O ATOM 348 CG2 THR A 21 -18.097 43.094 -3.693 1.00 0.00 C ATOM 0 H THR A 21 -20.859 42.352 -0.929 1.00 0.00 H new ATOM 0 HA THR A 21 -19.936 41.190 -3.383 1.00 0.00 H new ATOM 0 HB THR A 21 -18.697 43.365 -1.644 1.00 0.00 H new ATOM 0 HG1 THR A 21 -20.939 43.756 -2.215 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.761 44.125 -3.809 1.00 0.00 H new ATOM 0 HG22 THR A 21 -17.246 42.462 -3.439 1.00 0.00 H new ATOM 0 HG23 THR A 21 -18.538 42.749 -4.628 1.00 0.00 H new ATOM 356 N TYR A 22 -18.267 40.737 -0.572 1.00 0.00 N ATOM 357 CA TYR A 22 -17.194 39.950 0.032 1.00 0.00 C ATOM 358 C TYR A 22 -17.441 38.469 -0.208 1.00 0.00 C ATOM 359 O TYR A 22 -16.577 37.757 -0.719 1.00 0.00 O ATOM 360 CB TYR A 22 -17.114 40.211 1.538 1.00 0.00 C ATOM 361 CG TYR A 22 -16.331 39.102 2.199 1.00 0.00 C ATOM 362 CD1 TYR A 22 -14.938 39.058 2.069 1.00 0.00 C ATOM 363 CD2 TYR A 22 -16.997 38.119 2.941 1.00 0.00 C ATOM 364 CE1 TYR A 22 -14.211 38.031 2.682 1.00 0.00 C ATOM 365 CE2 TYR A 22 -16.269 37.093 3.554 1.00 0.00 C ATOM 366 CZ TYR A 22 -14.876 37.049 3.426 1.00 0.00 C ATOM 367 OH TYR A 22 -14.159 36.037 4.030 1.00 0.00 O ATOM 0 H TYR A 22 -18.825 41.279 0.087 1.00 0.00 H new ATOM 0 HA TYR A 22 -16.251 40.246 -0.429 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -16.635 41.172 1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -18.116 40.266 1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -14.425 39.816 1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -18.072 38.153 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -13.136 37.996 2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -16.783 36.335 4.126 1.00 0.00 H new ATOM 0 HH TYR A 22 -14.773 35.441 4.507 1.00 0.00 H new ATOM 377 N MET A 23 -18.634 38.018 0.155 1.00 0.00 N ATOM 378 CA MET A 23 -18.996 36.623 -0.034 1.00 0.00 C ATOM 379 C MET A 23 -18.959 36.277 -1.517 1.00 0.00 C ATOM 380 O MET A 23 -18.735 35.125 -1.891 1.00 0.00 O ATOM 381 CB MET A 23 -20.396 36.364 0.529 1.00 0.00 C ATOM 382 CG MET A 23 -20.496 34.917 1.012 1.00 0.00 C ATOM 383 SD MET A 23 -20.574 33.808 -0.417 1.00 0.00 S ATOM 384 CE MET A 23 -21.964 32.801 0.157 1.00 0.00 C ATOM 0 H MET A 23 -19.361 38.594 0.579 1.00 0.00 H new ATOM 0 HA MET A 23 -18.281 35.995 0.497 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.600 37.048 1.353 1.00 0.00 H new ATOM 0 HB3 MET A 23 -21.148 36.555 -0.237 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.634 34.669 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.383 34.790 1.633 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.190 32.036 -0.585 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.702 32.324 1.102 1.00 0.00 H new ATOM 0 HE3 MET A 23 -22.838 33.436 0.301 1.00 0.00 H new ATOM 394 N ASP A 24 -19.175 37.285 -2.358 1.00 0.00 N ATOM 395 CA ASP A 24 -19.157 37.071 -3.803 1.00 0.00 C ATOM 396 C ASP A 24 -17.723 36.893 -4.292 1.00 0.00 C ATOM 397 O ASP A 24 -17.445 36.040 -5.134 1.00 0.00 O ATOM 398 CB ASP A 24 -19.803 38.257 -4.525 1.00 0.00 C ATOM 399 CG ASP A 24 -21.075 37.806 -5.238 1.00 0.00 C ATOM 400 OD1 ASP A 24 -20.966 37.324 -6.354 1.00 0.00 O ATOM 401 OD2 ASP A 24 -22.138 37.947 -4.657 1.00 0.00 O ATOM 0 H ASP A 24 -19.362 38.245 -2.070 1.00 0.00 H new ATOM 0 HA ASP A 24 -19.725 36.168 -4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -20.038 39.045 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -19.103 38.679 -5.246 1.00 0.00 H new ATOM 406 N ASN A 25 -16.815 37.701 -3.753 1.00 0.00 N ATOM 407 CA ASN A 25 -15.412 37.619 -4.140 1.00 0.00 C ATOM 408 C ASN A 25 -14.849 36.247 -3.790 1.00 0.00 C ATOM 409 O ASN A 25 -14.017 35.703 -4.517 1.00 0.00 O ATOM 410 CB ASN A 25 -14.604 38.704 -3.428 1.00 0.00 C ATOM 411 CG ASN A 25 -14.719 40.021 -4.188 1.00 0.00 C ATOM 412 OD1 ASN A 25 -15.879 40.395 -4.654 1.00 0.00 O flip ATOM 413 ND2 ASN A 25 -13.726 40.725 -4.364 1.00 0.00 N flip ATOM 0 H ASN A 25 -17.023 38.413 -3.053 1.00 0.00 H new ATOM 0 HA ASN A 25 -15.340 37.770 -5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -14.968 38.830 -2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -13.558 38.404 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.821 40.430 -3.999 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.808 41.604 -4.875 1.00 0.00 H new ATOM 420 N TRP A 26 -15.312 35.690 -2.675 1.00 0.00 N ATOM 421 CA TRP A 26 -14.852 34.378 -2.244 1.00 0.00 C ATOM 422 C TRP A 26 -15.034 33.363 -3.369 1.00 0.00 C ATOM 423 O TRP A 26 -14.176 32.512 -3.597 1.00 0.00 O ATOM 424 CB TRP A 26 -15.636 33.932 -1.005 1.00 0.00 C ATOM 425 CG TRP A 26 -15.670 32.439 -0.938 1.00 0.00 C ATOM 426 CD1 TRP A 26 -16.753 31.676 -1.208 1.00 0.00 C ATOM 427 CD2 TRP A 26 -14.597 31.518 -0.585 1.00 0.00 C ATOM 428 NE1 TRP A 26 -16.414 30.345 -1.045 1.00 0.00 N ATOM 429 CE2 TRP A 26 -15.097 30.197 -0.661 1.00 0.00 C ATOM 430 CE3 TRP A 26 -13.254 31.699 -0.212 1.00 0.00 C ATOM 431 CZ2 TRP A 26 -14.291 29.093 -0.376 1.00 0.00 C ATOM 432 CZ3 TRP A 26 -12.441 30.591 0.077 1.00 0.00 C ATOM 433 CH2 TRP A 26 -12.958 29.291 -0.005 1.00 0.00 C ATOM 0 H TRP A 26 -16.000 36.124 -2.059 1.00 0.00 H new ATOM 0 HA TRP A 26 -13.793 34.439 -1.993 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -15.172 34.335 -0.105 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -16.651 34.327 -1.044 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -17.724 32.045 -1.503 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -17.059 29.568 -1.191 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.845 32.696 -0.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -14.695 28.093 -0.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.411 30.742 0.364 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -12.327 28.443 0.218 1.00 0.00 H new ATOM 444 N ARG A 27 -16.158 33.466 -4.074 1.00 0.00 N ATOM 445 CA ARG A 27 -16.441 32.556 -5.177 1.00 0.00 C ATOM 446 C ARG A 27 -15.557 32.883 -6.376 1.00 0.00 C ATOM 447 O ARG A 27 -15.113 31.988 -7.095 1.00 0.00 O ATOM 448 CB ARG A 27 -17.913 32.666 -5.580 1.00 0.00 C ATOM 449 CG ARG A 27 -18.166 31.820 -6.830 1.00 0.00 C ATOM 450 CD ARG A 27 -19.664 31.795 -7.136 1.00 0.00 C ATOM 451 NE ARG A 27 -20.254 33.100 -6.869 1.00 0.00 N ATOM 452 CZ ARG A 27 -20.791 33.382 -5.687 1.00 0.00 C ATOM 453 NH1 ARG A 27 -20.792 32.482 -4.742 1.00 0.00 N ATOM 454 NH2 ARG A 27 -21.317 34.557 -5.471 1.00 0.00 N ATOM 0 H ARG A 27 -16.881 34.165 -3.902 1.00 0.00 H new ATOM 0 HA ARG A 27 -16.231 31.538 -4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -18.551 32.327 -4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -18.171 33.707 -5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -17.618 32.232 -7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -17.799 30.805 -6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -19.825 31.522 -8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -20.154 31.035 -6.528 1.00 0.00 H new ATOM 0 HE ARG A 27 -20.255 33.809 -7.602 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -20.381 31.564 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -21.204 32.697 -3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -21.316 35.260 -6.210 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -21.729 34.772 -4.563 1.00 0.00 H new ATOM 468 N GLN A 28 -15.302 34.172 -6.581 1.00 0.00 N ATOM 469 CA GLN A 28 -14.464 34.610 -7.692 1.00 0.00 C ATOM 470 C GLN A 28 -12.989 34.452 -7.338 1.00 0.00 C ATOM 471 O GLN A 28 -12.130 34.410 -8.218 1.00 0.00 O ATOM 472 CB GLN A 28 -14.761 36.076 -8.022 1.00 0.00 C ATOM 473 CG GLN A 28 -14.527 36.328 -9.514 1.00 0.00 C ATOM 474 CD GLN A 28 -15.135 37.667 -9.919 1.00 0.00 C ATOM 475 OE1 GLN A 28 -15.462 38.530 -8.995 1.00 0.00 O flip ATOM 476 NE2 GLN A 28 -15.317 37.935 -11.106 1.00 0.00 N flip ATOM 0 H GLN A 28 -15.661 34.927 -5.996 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.686 33.992 -8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.792 36.316 -7.760 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.121 36.729 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.458 36.325 -9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.972 35.525 -10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.061 37.260 -11.826 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.724 38.832 -11.370 1.00 0.00 H new ATOM 485 N ASN A 29 -12.705 34.363 -6.042 1.00 0.00 N ATOM 486 CA ASN A 29 -11.332 34.206 -5.575 1.00 0.00 C ATOM 487 C ASN A 29 -10.679 32.992 -6.226 1.00 0.00 C ATOM 488 O ASN A 29 -9.456 32.854 -6.219 1.00 0.00 O ATOM 489 CB ASN A 29 -11.315 34.045 -4.054 1.00 0.00 C ATOM 490 CG ASN A 29 -10.016 33.380 -3.611 1.00 0.00 C ATOM 491 OD1 ASN A 29 -8.933 33.788 -4.034 1.00 0.00 O ATOM 492 ND2 ASN A 29 -10.057 32.376 -2.778 1.00 0.00 N ATOM 0 H ASN A 29 -13.404 34.397 -5.300 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.769 35.097 -5.852 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.415 35.020 -3.576 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.167 33.445 -3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.192 31.928 -2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.954 32.039 -2.429 1.00 0.00 H new ATOM 499 N THR A 30 -11.504 32.114 -6.789 1.00 0.00 N ATOM 500 CA THR A 30 -10.994 30.915 -7.443 1.00 0.00 C ATOM 501 C THR A 30 -9.992 31.288 -8.530 1.00 0.00 C ATOM 502 O THR A 30 -8.975 30.618 -8.707 1.00 0.00 O ATOM 503 CB THR A 30 -12.148 30.123 -8.062 1.00 0.00 C ATOM 504 OG1 THR A 30 -11.625 29.131 -8.934 1.00 0.00 O ATOM 505 CG2 THR A 30 -13.055 31.070 -8.849 1.00 0.00 C ATOM 0 H THR A 30 -12.519 32.209 -6.806 1.00 0.00 H new ATOM 0 HA THR A 30 -10.494 30.300 -6.695 1.00 0.00 H new ATOM 0 HB THR A 30 -12.726 29.644 -7.271 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.363 28.622 -9.330 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.876 30.505 -9.289 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.456 31.830 -8.179 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.480 31.551 -9.640 1.00 0.00 H new ATOM 513 N THR A 31 -10.286 32.366 -9.252 1.00 0.00 N ATOM 514 CA THR A 31 -9.402 32.822 -10.318 1.00 0.00 C ATOM 515 C THR A 31 -8.069 33.280 -9.737 1.00 0.00 C ATOM 516 O THR A 31 -7.013 33.059 -10.329 1.00 0.00 O ATOM 517 CB THR A 31 -10.056 33.976 -11.082 1.00 0.00 C ATOM 518 OG1 THR A 31 -11.253 34.360 -10.423 1.00 0.00 O ATOM 519 CG2 THR A 31 -10.377 33.531 -12.511 1.00 0.00 C ATOM 0 H THR A 31 -11.122 32.935 -9.119 1.00 0.00 H new ATOM 0 HA THR A 31 -9.224 31.993 -11.003 1.00 0.00 H new ATOM 0 HB THR A 31 -9.371 34.823 -11.115 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.036 34.744 -9.548 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.843 34.354 -13.053 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.457 33.239 -13.016 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.061 32.683 -12.483 1.00 0.00 H new ATOM 527 N ALA A 32 -8.128 33.917 -8.571 1.00 0.00 N ATOM 528 CA ALA A 32 -6.920 34.398 -7.915 1.00 0.00 C ATOM 529 C ALA A 32 -5.986 33.231 -7.610 1.00 0.00 C ATOM 530 O ALA A 32 -4.764 33.373 -7.653 1.00 0.00 O ATOM 531 CB ALA A 32 -7.284 35.120 -6.616 1.00 0.00 C ATOM 0 H ALA A 32 -8.993 34.110 -8.066 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.412 35.094 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.375 35.477 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.932 35.967 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.804 34.431 -5.950 1.00 0.00 H new ATOM 537 N GLU A 33 -6.573 32.077 -7.305 1.00 0.00 N ATOM 538 CA GLU A 33 -5.786 30.888 -6.998 1.00 0.00 C ATOM 539 C GLU A 33 -5.006 30.435 -8.226 1.00 0.00 C ATOM 540 O GLU A 33 -3.860 29.998 -8.121 1.00 0.00 O ATOM 541 CB GLU A 33 -6.704 29.757 -6.531 1.00 0.00 C ATOM 542 CG GLU A 33 -5.879 28.703 -5.791 1.00 0.00 C ATOM 543 CD GLU A 33 -5.761 29.074 -4.318 1.00 0.00 C ATOM 544 OE1 GLU A 33 -6.774 29.045 -3.636 1.00 0.00 O ATOM 545 OE2 GLU A 33 -4.661 29.383 -3.891 1.00 0.00 O ATOM 0 H GLU A 33 -7.583 31.941 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.084 31.136 -6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.481 30.152 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.207 29.306 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.349 27.725 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.887 28.627 -6.236 1.00 0.00 H new ATOM 552 N GLN A 34 -5.637 30.543 -9.391 1.00 0.00 N ATOM 553 CA GLN A 34 -4.992 30.141 -10.635 1.00 0.00 C ATOM 554 C GLN A 34 -3.657 30.859 -10.795 1.00 0.00 C ATOM 555 O GLN A 34 -2.670 30.264 -11.228 1.00 0.00 O ATOM 556 CB GLN A 34 -5.900 30.462 -11.823 1.00 0.00 C ATOM 557 CG GLN A 34 -6.677 29.206 -12.223 1.00 0.00 C ATOM 558 CD GLN A 34 -5.890 28.415 -13.263 1.00 0.00 C ATOM 559 OE1 GLN A 34 -4.587 28.392 -13.202 1.00 0.00 O flip ATOM 560 NE2 GLN A 34 -6.478 27.801 -14.154 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.586 30.902 -9.499 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.812 29.066 -10.603 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.592 31.263 -11.560 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.305 30.818 -12.664 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.860 28.587 -11.345 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.651 29.484 -12.626 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.497 27.820 -14.200 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.946 27.273 -14.846 1.00 0.00 H new ATOM 569 N GLU A 35 -3.631 32.138 -10.434 1.00 0.00 N ATOM 570 CA GLU A 35 -2.406 32.922 -10.534 1.00 0.00 C ATOM 571 C GLU A 35 -1.349 32.365 -9.588 1.00 0.00 C ATOM 572 O GLU A 35 -0.185 32.210 -9.961 1.00 0.00 O ATOM 573 CB GLU A 35 -2.688 34.384 -10.182 1.00 0.00 C ATOM 574 CG GLU A 35 -3.363 35.074 -11.369 1.00 0.00 C ATOM 575 CD GLU A 35 -2.317 35.467 -12.405 1.00 0.00 C ATOM 576 OE1 GLU A 35 -1.471 36.286 -12.083 1.00 0.00 O ATOM 577 OE2 GLU A 35 -2.374 34.944 -13.506 1.00 0.00 O ATOM 0 H GLU A 35 -4.436 32.649 -10.073 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.037 32.864 -11.558 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.329 34.440 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.758 34.895 -9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.099 34.407 -11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.901 35.959 -11.029 1.00 0.00 H new ATOM 584 N ALA A 36 -1.765 32.061 -8.362 1.00 0.00 N ATOM 585 CA ALA A 36 -0.851 31.515 -7.366 1.00 0.00 C ATOM 586 C ALA A 36 -0.347 30.144 -7.803 1.00 0.00 C ATOM 587 O ALA A 36 0.794 29.773 -7.524 1.00 0.00 O ATOM 588 CB ALA A 36 -1.562 31.396 -6.016 1.00 0.00 C ATOM 0 H ALA A 36 -2.724 32.183 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 36 0.000 32.189 -7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.873 30.987 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.898 32.382 -5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.422 30.734 -6.115 1.00 0.00 H new ATOM 594 N LEU A 37 -1.205 29.397 -8.490 1.00 0.00 N ATOM 595 CA LEU A 37 -0.839 28.067 -8.966 1.00 0.00 C ATOM 596 C LEU A 37 0.359 28.150 -9.906 1.00 0.00 C ATOM 597 O LEU A 37 1.292 27.351 -9.814 1.00 0.00 O ATOM 598 CB LEU A 37 -2.022 27.432 -9.699 1.00 0.00 C ATOM 599 CG LEU A 37 -2.021 25.921 -9.460 1.00 0.00 C ATOM 600 CD1 LEU A 37 -2.366 25.633 -7.996 1.00 0.00 C ATOM 601 CD2 LEU A 37 -3.062 25.262 -10.369 1.00 0.00 C ATOM 0 H LEU A 37 -2.153 29.687 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.572 27.452 -8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.957 27.866 -9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.957 27.642 -10.767 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.033 25.518 -9.685 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.365 24.556 -7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.626 26.103 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.353 26.035 -7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.063 24.185 -10.200 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.049 25.665 -10.144 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.816 25.466 -11.411 1.00 0.00 H new ATOM 613 N GLN A 38 0.325 29.123 -10.810 1.00 0.00 N ATOM 614 CA GLN A 38 1.411 29.307 -11.764 1.00 0.00 C ATOM 615 C GLN A 38 2.720 29.599 -11.039 1.00 0.00 C ATOM 616 O GLN A 38 3.796 29.211 -11.498 1.00 0.00 O ATOM 617 CB GLN A 38 1.082 30.462 -12.711 1.00 0.00 C ATOM 618 CG GLN A 38 -0.014 30.025 -13.685 1.00 0.00 C ATOM 619 CD GLN A 38 0.025 30.895 -14.937 1.00 0.00 C ATOM 620 OE1 GLN A 38 -0.439 32.035 -14.916 1.00 0.00 O ATOM 621 NE2 GLN A 38 0.555 30.423 -16.031 1.00 0.00 N ATOM 0 H GLN A 38 -0.439 29.793 -10.902 1.00 0.00 H new ATOM 0 HA GLN A 38 1.525 28.387 -12.337 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.752 31.331 -12.141 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.974 30.761 -13.261 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.124 28.978 -13.955 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.990 30.105 -13.207 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.939 29.478 -16.045 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.586 30.999 -16.872 1.00 0.00 H new ATOM 630 N ALA A 39 2.624 30.281 -9.903 1.00 0.00 N ATOM 631 CA ALA A 39 3.808 30.616 -9.121 1.00 0.00 C ATOM 632 C ALA A 39 4.375 29.366 -8.453 1.00 0.00 C ATOM 633 O ALA A 39 5.549 29.323 -8.089 1.00 0.00 O ATOM 634 CB ALA A 39 3.456 31.657 -8.057 1.00 0.00 C ATOM 0 H ALA A 39 1.745 30.611 -9.505 1.00 0.00 H new ATOM 0 HA ALA A 39 4.561 31.029 -9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.347 31.901 -7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.079 32.558 -8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.691 31.255 -7.393 1.00 0.00 H new ATOM 640 N LYS A 40 3.530 28.352 -8.298 1.00 0.00 N ATOM 641 CA LYS A 40 3.953 27.103 -7.675 1.00 0.00 C ATOM 642 C LYS A 40 4.972 26.383 -8.554 1.00 0.00 C ATOM 643 O LYS A 40 5.613 25.425 -8.122 1.00 0.00 O ATOM 644 CB LYS A 40 2.739 26.198 -7.452 1.00 0.00 C ATOM 645 CG LYS A 40 3.101 25.089 -6.464 1.00 0.00 C ATOM 646 CD LYS A 40 2.039 23.990 -6.523 1.00 0.00 C ATOM 647 CE LYS A 40 2.502 22.882 -7.471 1.00 0.00 C ATOM 648 NZ LYS A 40 1.323 22.306 -8.177 1.00 0.00 N ATOM 0 H LYS A 40 2.554 28.370 -8.593 1.00 0.00 H new ATOM 0 HA LYS A 40 4.418 27.334 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.903 26.782 -7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.417 25.765 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.081 24.677 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.166 25.494 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.867 23.582 -5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.091 24.404 -6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.213 23.281 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.020 22.103 -6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.638 21.553 -8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.660 21.911 -7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.847 23.052 -8.723 1.00 0.00 H new ATOM 662 N VAL A 41 5.112 26.850 -9.790 1.00 0.00 N ATOM 663 CA VAL A 41 6.054 26.245 -10.726 1.00 0.00 C ATOM 664 C VAL A 41 7.487 26.626 -10.371 1.00 0.00 C ATOM 665 O VAL A 41 8.328 26.802 -11.253 1.00 0.00 O ATOM 666 CB VAL A 41 5.739 26.702 -12.149 1.00 0.00 C ATOM 667 CG1 VAL A 41 6.303 28.108 -12.369 1.00 0.00 C ATOM 668 CG2 VAL A 41 6.376 25.736 -13.149 1.00 0.00 C ATOM 0 H VAL A 41 4.589 27.641 -10.166 1.00 0.00 H new ATOM 0 HA VAL A 41 5.955 25.161 -10.661 1.00 0.00 H new ATOM 0 HB VAL A 41 4.659 26.715 -12.295 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.079 28.435 -13.384 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.849 28.798 -11.657 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.383 28.094 -12.223 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.151 26.063 -14.164 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.456 25.722 -13.004 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.976 24.734 -12.993 1.00 0.00 H new ATOM 678 N ASP A 42 7.759 26.750 -9.078 1.00 0.00 N ATOM 679 CA ASP A 42 9.096 27.110 -8.622 1.00 0.00 C ATOM 680 C ASP A 42 9.920 25.857 -8.341 1.00 0.00 C ATOM 681 O ASP A 42 9.781 25.234 -7.288 1.00 0.00 O ATOM 682 CB ASP A 42 9.008 27.961 -7.355 1.00 0.00 C ATOM 683 CG ASP A 42 10.306 28.736 -7.158 1.00 0.00 C ATOM 684 OD1 ASP A 42 11.276 28.408 -7.821 1.00 0.00 O ATOM 685 OD2 ASP A 42 10.311 29.648 -6.347 1.00 0.00 O ATOM 0 H ASP A 42 7.078 26.608 -8.332 1.00 0.00 H new ATOM 0 HA ASP A 42 9.584 27.685 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.169 28.653 -7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.820 27.324 -6.491 1.00 0.00 H new ATOM 690 N ALA A 43 10.777 25.494 -9.289 1.00 0.00 N ATOM 691 CA ALA A 43 11.617 24.313 -9.135 1.00 0.00 C ATOM 692 C ALA A 43 12.382 24.362 -7.816 1.00 0.00 C ATOM 693 O ALA A 43 13.005 23.380 -7.412 1.00 0.00 O ATOM 694 CB ALA A 43 12.605 24.220 -10.299 1.00 0.00 C ATOM 0 H ALA A 43 10.908 25.997 -10.167 1.00 0.00 H new ATOM 0 HA ALA A 43 10.974 23.433 -9.133 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.229 23.335 -10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.056 24.150 -11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.235 25.109 -10.313 1.00 0.00 H new ATOM 700 N GLU A 44 12.331 25.510 -7.147 1.00 0.00 N ATOM 701 CA GLU A 44 13.024 25.670 -5.875 1.00 0.00 C ATOM 702 C GLU A 44 12.478 24.693 -4.839 1.00 0.00 C ATOM 703 O GLU A 44 13.216 24.196 -3.989 1.00 0.00 O ATOM 704 CB GLU A 44 12.860 27.104 -5.367 1.00 0.00 C ATOM 705 CG GLU A 44 13.970 27.980 -5.951 1.00 0.00 C ATOM 706 CD GLU A 44 15.110 28.118 -4.947 1.00 0.00 C ATOM 707 OE1 GLU A 44 14.836 28.481 -3.815 1.00 0.00 O ATOM 708 OE2 GLU A 44 16.241 27.857 -5.325 1.00 0.00 O ATOM 0 H GLU A 44 11.822 26.336 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 44 14.082 25.460 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.884 27.494 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.902 27.123 -4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.341 27.541 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.574 28.964 -6.201 1.00 0.00 H new ATOM 715 N ASN A 45 11.180 24.417 -4.918 1.00 0.00 N ATOM 716 CA ASN A 45 10.546 23.492 -3.985 1.00 0.00 C ATOM 717 C ASN A 45 10.714 22.054 -4.468 1.00 0.00 C ATOM 718 O ASN A 45 9.812 21.230 -4.323 1.00 0.00 O ATOM 719 CB ASN A 45 9.057 23.818 -3.856 1.00 0.00 C ATOM 720 CG ASN A 45 8.637 23.767 -2.391 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.242 23.049 -1.596 1.00 0.00 O ATOM 722 ND2 ASN A 45 7.628 24.490 -1.985 1.00 0.00 N ATOM 0 H ASN A 45 10.550 24.817 -5.613 1.00 0.00 H new ATOM 0 HA ASN A 45 11.025 23.598 -3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.856 24.808 -4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.469 23.107 -4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.340 24.460 -1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.128 25.085 -2.646 1.00 0.00 H new ATOM 729 N PHE A 46 11.876 21.766 -5.044 1.00 0.00 N ATOM 730 CA PHE A 46 12.160 20.429 -5.553 1.00 0.00 C ATOM 731 C PHE A 46 11.919 19.373 -4.478 1.00 0.00 C ATOM 732 O PHE A 46 11.529 18.245 -4.781 1.00 0.00 O ATOM 733 CB PHE A 46 13.613 20.353 -6.025 1.00 0.00 C ATOM 734 CG PHE A 46 13.952 18.926 -6.382 1.00 0.00 C ATOM 735 CD1 PHE A 46 13.414 18.349 -7.539 1.00 0.00 C ATOM 736 CD2 PHE A 46 14.804 18.181 -5.558 1.00 0.00 C ATOM 737 CE1 PHE A 46 13.728 17.026 -7.870 1.00 0.00 C ATOM 738 CE2 PHE A 46 15.117 16.857 -5.890 1.00 0.00 C ATOM 739 CZ PHE A 46 14.579 16.279 -7.047 1.00 0.00 C ATOM 0 H PHE A 46 12.634 22.437 -5.170 1.00 0.00 H new ATOM 0 HA PHE A 46 11.489 20.232 -6.389 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.760 21.000 -6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 46 14.280 20.711 -5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.758 18.924 -8.175 1.00 0.00 H new ATOM 0 HD2 PHE A 46 15.220 18.627 -4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.313 16.581 -8.762 1.00 0.00 H new ATOM 0 HE2 PHE A 46 15.773 16.282 -5.254 1.00 0.00 H new ATOM 0 HZ PHE A 46 14.821 15.258 -7.304 1.00 0.00 H new ATOM 749 N TYR A 47 12.161 19.742 -3.224 1.00 0.00 N ATOM 750 CA TYR A 47 11.973 18.812 -2.115 1.00 0.00 C ATOM 751 C TYR A 47 10.504 18.426 -1.970 1.00 0.00 C ATOM 752 O TYR A 47 10.185 17.323 -1.526 1.00 0.00 O ATOM 753 CB TYR A 47 12.467 19.446 -0.813 1.00 0.00 C ATOM 754 CG TYR A 47 13.031 20.816 -1.101 1.00 0.00 C ATOM 755 CD1 TYR A 47 14.305 20.943 -1.667 1.00 0.00 C ATOM 756 CD2 TYR A 47 12.280 21.958 -0.803 1.00 0.00 C ATOM 757 CE1 TYR A 47 14.828 22.213 -1.934 1.00 0.00 C ATOM 758 CE2 TYR A 47 12.803 23.229 -1.070 1.00 0.00 C ATOM 759 CZ TYR A 47 14.078 23.357 -1.636 1.00 0.00 C ATOM 760 OH TYR A 47 14.593 24.609 -1.899 1.00 0.00 O ATOM 0 H TYR A 47 12.485 20.670 -2.951 1.00 0.00 H new ATOM 0 HA TYR A 47 12.550 17.911 -2.325 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.647 19.522 -0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.230 18.816 -0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 47 14.884 20.061 -1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.297 21.859 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.811 22.311 -2.370 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.223 24.111 -0.840 1.00 0.00 H new ATOM 0 HH TYR A 47 14.152 24.985 -2.690 1.00 0.00 H new ATOM 770 N TYR A 48 9.614 19.339 -2.342 1.00 0.00 N ATOM 771 CA TYR A 48 8.182 19.077 -2.242 1.00 0.00 C ATOM 772 C TYR A 48 7.733 18.097 -3.321 1.00 0.00 C ATOM 773 O TYR A 48 6.749 17.379 -3.150 1.00 0.00 O ATOM 774 CB TYR A 48 7.401 20.384 -2.382 1.00 0.00 C ATOM 775 CG TYR A 48 5.957 20.150 -2.007 1.00 0.00 C ATOM 776 CD1 TYR A 48 5.581 20.108 -0.659 1.00 0.00 C ATOM 777 CD2 TYR A 48 4.995 19.973 -3.008 1.00 0.00 C ATOM 778 CE1 TYR A 48 4.242 19.888 -0.312 1.00 0.00 C ATOM 779 CE2 TYR A 48 3.656 19.753 -2.662 1.00 0.00 C ATOM 780 CZ TYR A 48 3.279 19.711 -1.314 1.00 0.00 C ATOM 781 OH TYR A 48 1.960 19.493 -0.971 1.00 0.00 O ATOM 0 H TYR A 48 9.855 20.259 -2.712 1.00 0.00 H new ATOM 0 HA TYR A 48 7.984 18.636 -1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.835 21.150 -1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.467 20.752 -3.406 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.323 20.245 0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.285 20.006 -4.048 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.952 19.855 0.728 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.914 19.616 -3.435 1.00 0.00 H new ATOM 0 HH TYR A 48 1.423 19.392 -1.784 1.00 0.00 H new ATOM 791 N VAL A 49 8.457 18.075 -4.435 1.00 0.00 N ATOM 792 CA VAL A 49 8.119 17.182 -5.538 1.00 0.00 C ATOM 793 C VAL A 49 8.395 15.728 -5.163 1.00 0.00 C ATOM 794 O VAL A 49 7.559 14.852 -5.379 1.00 0.00 O ATOM 795 CB VAL A 49 8.933 17.553 -6.777 1.00 0.00 C ATOM 796 CG1 VAL A 49 8.644 16.552 -7.898 1.00 0.00 C ATOM 797 CG2 VAL A 49 8.545 18.958 -7.238 1.00 0.00 C ATOM 0 H VAL A 49 9.276 18.661 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 49 7.056 17.292 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 49 9.995 17.529 -6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.225 16.817 -8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.919 15.549 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.582 16.575 -8.142 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.125 19.224 -8.122 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.483 18.981 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.751 19.672 -6.441 1.00 0.00 H new ATOM 807 N ILE A 50 9.576 15.480 -4.606 1.00 0.00 N ATOM 808 CA ILE A 50 9.955 14.127 -4.211 1.00 0.00 C ATOM 809 C ILE A 50 9.050 13.614 -3.093 1.00 0.00 C ATOM 810 O ILE A 50 8.763 12.420 -3.015 1.00 0.00 O ATOM 811 CB ILE A 50 11.408 14.114 -3.738 1.00 0.00 C ATOM 812 CG1 ILE A 50 11.595 15.165 -2.642 1.00 0.00 C ATOM 813 CG2 ILE A 50 12.332 14.435 -4.914 1.00 0.00 C ATOM 814 CD1 ILE A 50 13.012 15.065 -2.074 1.00 0.00 C ATOM 0 H ILE A 50 10.283 16.191 -4.419 1.00 0.00 H new ATOM 0 HA ILE A 50 9.844 13.473 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 50 11.653 13.128 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.424 16.162 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.863 15.013 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.368 14.426 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.199 13.687 -5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.088 15.421 -5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 50 13.145 15.814 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.166 14.071 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.736 15.238 -2.870 1.00 0.00 H new ATOM 826 N LEU A 51 8.609 14.521 -2.230 1.00 0.00 N ATOM 827 CA LEU A 51 7.742 14.144 -1.119 1.00 0.00 C ATOM 828 C LEU A 51 6.398 13.628 -1.627 1.00 0.00 C ATOM 829 O LEU A 51 5.902 12.602 -1.162 1.00 0.00 O ATOM 830 CB LEU A 51 7.514 15.349 -0.205 1.00 0.00 C ATOM 831 CG LEU A 51 7.045 14.867 1.169 1.00 0.00 C ATOM 832 CD1 LEU A 51 8.257 14.641 2.073 1.00 0.00 C ATOM 833 CD2 LEU A 51 6.133 15.924 1.797 1.00 0.00 C ATOM 0 H LEU A 51 8.835 15.515 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 51 8.232 13.347 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.435 15.923 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.770 16.015 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 51 6.496 13.932 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.922 14.298 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.908 13.888 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.807 15.576 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.799 15.581 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.682 16.859 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.268 16.086 1.154 1.00 0.00 H new ATOM 845 N TYR A 52 5.813 14.346 -2.581 1.00 0.00 N ATOM 846 CA TYR A 52 4.524 13.949 -3.141 1.00 0.00 C ATOM 847 C TYR A 52 4.653 12.635 -3.905 1.00 0.00 C ATOM 848 O TYR A 52 3.781 11.770 -3.824 1.00 0.00 O ATOM 849 CB TYR A 52 4.004 15.039 -4.080 1.00 0.00 C ATOM 850 CG TYR A 52 2.516 15.203 -3.888 1.00 0.00 C ATOM 851 CD1 TYR A 52 1.629 14.311 -4.501 1.00 0.00 C ATOM 852 CD2 TYR A 52 2.023 16.246 -3.094 1.00 0.00 C ATOM 853 CE1 TYR A 52 0.249 14.463 -4.322 1.00 0.00 C ATOM 854 CE2 TYR A 52 0.643 16.398 -2.916 1.00 0.00 C ATOM 855 CZ TYR A 52 -0.245 15.506 -3.530 1.00 0.00 C ATOM 856 OH TYR A 52 -1.605 15.654 -3.352 1.00 0.00 O ATOM 0 H TYR A 52 6.206 15.198 -2.980 1.00 0.00 H new ATOM 0 HA TYR A 52 3.820 13.811 -2.320 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.513 15.981 -3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.221 14.775 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.009 13.506 -5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.708 16.933 -2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.435 13.775 -4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.263 17.203 -2.305 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.777 16.426 -2.774 1.00 0.00 H new ATOM 866 N LEU A 53 5.747 12.494 -4.646 1.00 0.00 N ATOM 867 CA LEU A 53 5.981 11.281 -5.422 1.00 0.00 C ATOM 868 C LEU A 53 6.114 10.073 -4.499 1.00 0.00 C ATOM 869 O LEU A 53 5.673 8.974 -4.835 1.00 0.00 O ATOM 870 CB LEU A 53 7.253 11.435 -6.257 1.00 0.00 C ATOM 871 CG LEU A 53 7.493 10.157 -7.064 1.00 0.00 C ATOM 872 CD1 LEU A 53 6.430 10.034 -8.157 1.00 0.00 C ATOM 873 CD2 LEU A 53 8.880 10.215 -7.707 1.00 0.00 C ATOM 0 H LEU A 53 6.480 13.198 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 53 5.130 11.123 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.159 12.289 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.105 11.633 -5.607 1.00 0.00 H new ATOM 0 HG LEU A 53 7.433 9.293 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.602 9.123 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.441 9.994 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.488 10.897 -8.820 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.053 9.305 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.939 11.079 -8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.638 10.302 -6.929 1.00 0.00 H new ATOM 885 N MET A 54 6.726 10.284 -3.339 1.00 0.00 N ATOM 886 CA MET A 54 6.911 9.203 -2.377 1.00 0.00 C ATOM 887 C MET A 54 5.564 8.666 -1.911 1.00 0.00 C ATOM 888 O MET A 54 5.384 7.457 -1.760 1.00 0.00 O ATOM 889 CB MET A 54 7.707 9.707 -1.172 1.00 0.00 C ATOM 890 CG MET A 54 7.720 8.634 -0.083 1.00 0.00 C ATOM 891 SD MET A 54 9.080 8.958 1.067 1.00 0.00 S ATOM 892 CE MET A 54 10.285 7.837 0.315 1.00 0.00 C ATOM 0 H MET A 54 7.100 11.186 -3.043 1.00 0.00 H new ATOM 0 HA MET A 54 7.461 8.398 -2.864 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.727 9.948 -1.472 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.262 10.625 -0.787 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.770 8.632 0.452 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.836 7.647 -0.531 1.00 0.00 H new ATOM 0 HE1 MET A 54 11.219 7.877 0.876 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.895 6.819 0.332 1.00 0.00 H new ATOM 0 HE3 MET A 54 10.468 8.138 -0.716 1.00 0.00 H new ATOM 902 N VAL A 55 4.620 9.571 -1.683 1.00 0.00 N ATOM 903 CA VAL A 55 3.290 9.179 -1.232 1.00 0.00 C ATOM 904 C VAL A 55 2.642 8.228 -2.235 1.00 0.00 C ATOM 905 O VAL A 55 2.012 7.243 -1.850 1.00 0.00 O ATOM 906 CB VAL A 55 2.413 10.419 -1.057 1.00 0.00 C ATOM 907 CG1 VAL A 55 1.103 10.029 -0.371 1.00 0.00 C ATOM 908 CG2 VAL A 55 3.153 11.443 -0.193 1.00 0.00 C ATOM 0 H VAL A 55 4.749 10.576 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 55 3.387 8.666 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 55 2.195 10.851 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.479 10.914 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.576 9.297 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.319 9.598 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.531 12.329 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.369 11.008 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.087 11.723 -0.680 1.00 0.00 H new ATOM 918 N MET A 56 2.803 8.526 -3.519 1.00 0.00 N ATOM 919 CA MET A 56 2.228 7.684 -4.562 1.00 0.00 C ATOM 920 C MET A 56 2.713 6.245 -4.410 1.00 0.00 C ATOM 921 O MET A 56 1.911 5.314 -4.343 1.00 0.00 O ATOM 922 CB MET A 56 2.621 8.216 -5.943 1.00 0.00 C ATOM 923 CG MET A 56 1.729 7.574 -7.008 1.00 0.00 C ATOM 924 SD MET A 56 1.852 8.517 -8.549 1.00 0.00 S ATOM 925 CE MET A 56 0.442 7.758 -9.391 1.00 0.00 C ATOM 0 H MET A 56 3.321 9.335 -3.861 1.00 0.00 H new ATOM 0 HA MET A 56 1.143 7.704 -4.464 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.516 9.301 -5.970 1.00 0.00 H new ATOM 0 HB3 MET A 56 3.668 7.992 -6.147 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.032 6.541 -7.177 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.695 7.551 -6.665 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.329 8.199 -10.382 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.610 6.685 -9.488 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.465 7.932 -8.811 1.00 0.00 H new ATOM 935 N ILE A 57 4.029 6.072 -4.355 1.00 0.00 N ATOM 936 CA ILE A 57 4.610 4.742 -4.207 1.00 0.00 C ATOM 937 C ILE A 57 4.094 4.072 -2.937 1.00 0.00 C ATOM 938 O ILE A 57 3.842 2.868 -2.918 1.00 0.00 O ATOM 939 CB ILE A 57 6.135 4.841 -4.152 1.00 0.00 C ATOM 940 CG1 ILE A 57 6.642 5.552 -5.409 1.00 0.00 C ATOM 941 CG2 ILE A 57 6.737 3.436 -4.080 1.00 0.00 C ATOM 942 CD1 ILE A 57 6.827 4.534 -6.536 1.00 0.00 C ATOM 0 H ILE A 57 4.710 6.830 -4.410 1.00 0.00 H new ATOM 0 HA ILE A 57 4.318 4.139 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 57 6.432 5.406 -3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.934 6.322 -5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.587 6.053 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.824 3.507 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.374 2.930 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.442 2.868 -4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.188 5.042 -7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.552 3.780 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 57 5.873 4.053 -6.752 1.00 0.00 H new ATOM 954 N GLY A 58 3.936 4.861 -1.879 1.00 0.00 N ATOM 955 CA GLY A 58 3.446 4.331 -0.613 1.00 0.00 C ATOM 956 C GLY A 58 2.036 3.774 -0.772 1.00 0.00 C ATOM 957 O GLY A 58 1.732 2.680 -0.296 1.00 0.00 O ATOM 0 H GLY A 58 4.138 5.861 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.114 3.546 -0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.449 5.117 0.142 1.00 0.00 H new ATOM 961 N MET A 59 1.180 4.533 -1.449 1.00 0.00 N ATOM 962 CA MET A 59 -0.196 4.104 -1.670 1.00 0.00 C ATOM 963 C MET A 59 -0.222 2.746 -2.362 1.00 0.00 C ATOM 964 O MET A 59 -1.053 1.893 -2.049 1.00 0.00 O ATOM 965 CB MET A 59 -0.931 5.131 -2.534 1.00 0.00 C ATOM 966 CG MET A 59 -1.258 6.367 -1.693 1.00 0.00 C ATOM 967 SD MET A 59 -2.343 5.898 -0.322 1.00 0.00 S ATOM 968 CE MET A 59 -1.405 6.712 0.995 1.00 0.00 C ATOM 0 H MET A 59 1.412 5.441 -1.851 1.00 0.00 H new ATOM 0 HA MET A 59 -0.693 4.021 -0.704 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.314 5.412 -3.387 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.848 4.697 -2.933 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.340 6.811 -1.308 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.742 7.123 -2.312 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.904 6.550 1.951 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.398 6.296 1.036 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.347 7.782 0.793 1.00 0.00 H new ATOM 978 N PHE A 60 0.698 2.552 -3.302 1.00 0.00 N ATOM 979 CA PHE A 60 0.778 1.293 -4.033 1.00 0.00 C ATOM 980 C PHE A 60 1.013 0.130 -3.072 1.00 0.00 C ATOM 981 O PHE A 60 0.406 -0.931 -3.207 1.00 0.00 O ATOM 982 CB PHE A 60 1.915 1.355 -5.055 1.00 0.00 C ATOM 983 CG PHE A 60 1.562 0.514 -6.258 1.00 0.00 C ATOM 984 CD1 PHE A 60 0.609 0.971 -7.178 1.00 0.00 C ATOM 985 CD2 PHE A 60 2.186 -0.725 -6.456 1.00 0.00 C ATOM 986 CE1 PHE A 60 0.281 0.191 -8.293 1.00 0.00 C ATOM 987 CE2 PHE A 60 1.858 -1.504 -7.571 1.00 0.00 C ATOM 988 CZ PHE A 60 0.906 -1.047 -8.490 1.00 0.00 C ATOM 0 H PHE A 60 1.394 3.246 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.167 1.133 -4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.088 2.387 -5.359 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.841 0.995 -4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.127 1.926 -7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.920 -1.079 -5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.454 0.544 -9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.340 -2.459 -7.723 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.654 -1.649 -9.351 1.00 0.00 H new ATOM 998 N SER A 61 1.897 0.341 -2.102 1.00 0.00 N ATOM 999 CA SER A 61 2.203 -0.695 -1.122 1.00 0.00 C ATOM 1000 C SER A 61 0.959 -1.046 -0.312 1.00 0.00 C ATOM 1001 O SER A 61 0.728 -2.210 0.019 1.00 0.00 O ATOM 1002 CB SER A 61 3.309 -0.213 -0.182 1.00 0.00 C ATOM 1003 OG SER A 61 4.366 -1.164 -0.172 1.00 0.00 O ATOM 0 H SER A 61 2.411 1.213 -1.974 1.00 0.00 H new ATOM 0 HA SER A 61 2.541 -1.585 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.681 0.758 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.914 -0.081 0.825 1.00 0.00 H new ATOM 0 HG SER A 61 5.077 -0.857 0.428 1.00 0.00 H new ATOM 1009 N PHE A 62 0.163 -0.031 0.004 1.00 0.00 N ATOM 1010 CA PHE A 62 -1.056 -0.238 0.777 1.00 0.00 C ATOM 1011 C PHE A 62 -1.992 -1.204 0.054 1.00 0.00 C ATOM 1012 O PHE A 62 -2.649 -2.033 0.683 1.00 0.00 O ATOM 1013 CB PHE A 62 -1.768 1.099 0.993 1.00 0.00 C ATOM 1014 CG PHE A 62 -2.242 1.195 2.423 1.00 0.00 C ATOM 1015 CD1 PHE A 62 -1.311 1.229 3.469 1.00 0.00 C ATOM 1016 CD2 PHE A 62 -3.613 1.250 2.705 1.00 0.00 C ATOM 1017 CE1 PHE A 62 -1.750 1.320 4.794 1.00 0.00 C ATOM 1018 CE2 PHE A 62 -4.052 1.341 4.032 1.00 0.00 C ATOM 1019 CZ PHE A 62 -3.120 1.376 5.076 1.00 0.00 C ATOM 0 H PHE A 62 0.338 0.938 -0.261 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.785 -0.667 1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.092 1.923 0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.615 1.186 0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.254 1.185 3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.332 1.222 1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.032 1.347 5.600 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.109 1.384 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.458 1.446 6.099 1.00 0.00 H new ATOM 1029 N ILE A 63 -2.049 -1.087 -1.268 1.00 0.00 N ATOM 1030 CA ILE A 63 -2.908 -1.954 -2.067 1.00 0.00 C ATOM 1031 C ILE A 63 -2.486 -3.412 -1.923 1.00 0.00 C ATOM 1032 O ILE A 63 -3.321 -4.292 -1.711 1.00 0.00 O ATOM 1033 CB ILE A 63 -2.832 -1.546 -3.540 1.00 0.00 C ATOM 1034 CG1 ILE A 63 -3.508 -0.186 -3.729 1.00 0.00 C ATOM 1035 CG2 ILE A 63 -3.546 -2.592 -4.398 1.00 0.00 C ATOM 1036 CD1 ILE A 63 -3.353 0.261 -5.183 1.00 0.00 C ATOM 0 H ILE A 63 -1.515 -0.405 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.932 -1.847 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.787 -1.479 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.564 -0.253 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.061 0.550 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.492 -2.301 -5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.065 -3.561 -4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.591 -2.660 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.834 1.230 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.294 0.344 -5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.820 -0.472 -5.841 1.00 0.00 H new ATOM 1048 N ILE A 64 -1.186 -3.661 -2.044 1.00 0.00 N ATOM 1049 CA ILE A 64 -0.661 -5.018 -1.931 1.00 0.00 C ATOM 1050 C ILE A 64 -0.961 -5.603 -0.555 1.00 0.00 C ATOM 1051 O ILE A 64 -1.400 -6.748 -0.440 1.00 0.00 O ATOM 1052 CB ILE A 64 0.850 -5.011 -2.168 1.00 0.00 C ATOM 1053 CG1 ILE A 64 1.145 -4.384 -3.533 1.00 0.00 C ATOM 1054 CG2 ILE A 64 1.380 -6.446 -2.139 1.00 0.00 C ATOM 1055 CD1 ILE A 64 2.591 -4.686 -3.933 1.00 0.00 C ATOM 0 H ILE A 64 -0.480 -2.946 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.146 -5.638 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 64 1.339 -4.430 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.459 -4.779 -4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.985 -3.307 -3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.457 -6.440 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.168 -6.893 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.893 -7.029 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.800 -4.239 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.269 -4.269 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.735 -5.765 -3.991 1.00 0.00 H new ATOM 1067 N VAL A 65 -0.720 -4.815 0.487 1.00 0.00 N ATOM 1068 CA VAL A 65 -0.968 -5.272 1.850 1.00 0.00 C ATOM 1069 C VAL A 65 -2.444 -5.610 2.041 1.00 0.00 C ATOM 1070 O VAL A 65 -2.787 -6.546 2.764 1.00 0.00 O ATOM 1071 CB VAL A 65 -0.556 -4.189 2.848 1.00 0.00 C ATOM 1072 CG1 VAL A 65 -0.991 -4.600 4.256 1.00 0.00 C ATOM 1073 CG2 VAL A 65 0.966 -4.015 2.813 1.00 0.00 C ATOM 0 H VAL A 65 -0.356 -3.865 0.416 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.376 -6.170 2.026 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.035 -3.247 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.697 -3.828 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.074 -4.723 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.512 -5.542 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.260 -3.243 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.446 -4.956 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.276 -3.721 1.810 1.00 0.00 H new ATOM 1083 N ALA A 66 -3.312 -4.842 1.391 1.00 0.00 N ATOM 1084 CA ALA A 66 -4.749 -5.070 1.496 1.00 0.00 C ATOM 1085 C ALA A 66 -5.117 -6.447 0.951 1.00 0.00 C ATOM 1086 O ALA A 66 -6.050 -7.088 1.434 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.507 -3.991 0.719 1.00 0.00 C ATOM 0 H ALA A 66 -3.048 -4.061 0.790 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.028 -5.024 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.579 -4.168 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.268 -3.010 1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.214 -4.025 -0.330 1.00 0.00 H new ATOM 1093 N ILE A 67 -4.382 -6.890 -0.063 1.00 0.00 N ATOM 1094 CA ILE A 67 -4.640 -8.190 -0.674 1.00 0.00 C ATOM 1095 C ILE A 67 -4.142 -9.321 0.224 1.00 0.00 C ATOM 1096 O ILE A 67 -4.748 -10.392 0.279 1.00 0.00 O ATOM 1097 CB ILE A 67 -3.946 -8.269 -2.037 1.00 0.00 C ATOM 1098 CG1 ILE A 67 -4.445 -7.129 -2.928 1.00 0.00 C ATOM 1099 CG2 ILE A 67 -4.264 -9.608 -2.706 1.00 0.00 C ATOM 1100 CD1 ILE A 67 -5.968 -7.210 -3.057 1.00 0.00 C ATOM 0 H ILE A 67 -3.607 -6.372 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.716 -8.301 -0.805 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.869 -8.183 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.156 -6.168 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.982 -7.194 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.767 -9.658 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.910 -10.423 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.341 -9.698 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.323 -6.398 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.245 -8.166 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.422 -7.124 -2.070 1.00 0.00 H new ATOM 1112 N LEU A 68 -3.035 -9.082 0.918 1.00 0.00 N ATOM 1113 CA LEU A 68 -2.466 -10.097 1.801 1.00 0.00 C ATOM 1114 C LEU A 68 -3.343 -10.305 3.032 1.00 0.00 C ATOM 1115 O LEU A 68 -3.634 -11.438 3.414 1.00 0.00 O ATOM 1116 CB LEU A 68 -1.063 -9.676 2.242 1.00 0.00 C ATOM 1117 CG LEU A 68 -0.184 -9.463 1.009 1.00 0.00 C ATOM 1118 CD1 LEU A 68 1.162 -8.875 1.436 1.00 0.00 C ATOM 1119 CD2 LEU A 68 0.043 -10.804 0.309 1.00 0.00 C ATOM 0 H LEU A 68 -2.517 -8.204 0.888 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.413 -11.035 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.114 -8.758 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.627 -10.441 2.885 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.679 -8.774 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.788 -8.723 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.000 -7.920 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.659 -9.562 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.669 -10.654 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.538 -11.493 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.916 -11.222 0.004 1.00 0.00 H new ATOM 1131 N VAL A 69 -3.760 -9.206 3.649 1.00 0.00 N ATOM 1132 CA VAL A 69 -4.601 -9.280 4.838 1.00 0.00 C ATOM 1133 C VAL A 69 -5.885 -10.052 4.542 1.00 0.00 C ATOM 1134 O VAL A 69 -6.361 -10.826 5.372 1.00 0.00 O ATOM 1135 CB VAL A 69 -4.946 -7.872 5.324 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -3.665 -7.151 5.746 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -5.614 -7.093 4.189 1.00 0.00 C ATOM 0 H VAL A 69 -3.532 -8.258 3.348 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.049 -9.805 5.617 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.626 -7.937 6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.910 -6.147 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.184 -7.706 6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.987 -7.086 4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.861 -6.089 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.932 -7.029 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.526 -7.606 3.883 1.00 0.00 H new ATOM 1147 N SER A 70 -6.437 -9.839 3.351 1.00 0.00 N ATOM 1148 CA SER A 70 -7.662 -10.522 2.954 1.00 0.00 C ATOM 1149 C SER A 70 -7.377 -11.996 2.709 1.00 0.00 C ATOM 1150 O SER A 70 -8.084 -12.870 3.211 1.00 0.00 O ATOM 1151 CB SER A 70 -8.229 -9.890 1.683 1.00 0.00 C ATOM 1152 OG SER A 70 -7.506 -10.370 0.558 1.00 0.00 O ATOM 0 H SER A 70 -6.058 -9.203 2.649 1.00 0.00 H new ATOM 0 HA SER A 70 -8.394 -10.425 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.286 -10.135 1.582 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.157 -8.804 1.740 1.00 0.00 H new ATOM 0 HG SER A 70 -6.560 -10.132 0.651 1.00 0.00 H new ATOM 1158 N THR A 71 -6.323 -12.263 1.948 1.00 0.00 N ATOM 1159 CA THR A 71 -5.935 -13.635 1.660 1.00 0.00 C ATOM 1160 C THR A 71 -5.702 -14.379 2.965 1.00 0.00 C ATOM 1161 O THR A 71 -5.925 -15.587 3.058 1.00 0.00 O ATOM 1162 CB THR A 71 -4.657 -13.659 0.819 1.00 0.00 C ATOM 1163 OG1 THR A 71 -3.677 -12.828 1.427 1.00 0.00 O ATOM 1164 CG2 THR A 71 -4.958 -13.151 -0.591 1.00 0.00 C ATOM 0 H THR A 71 -5.727 -11.553 1.523 1.00 0.00 H new ATOM 0 HA THR A 71 -6.734 -14.120 1.099 1.00 0.00 H new ATOM 0 HB THR A 71 -4.282 -14.681 0.759 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.951 -12.616 2.344 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.046 -13.170 -1.187 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.708 -13.791 -1.056 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.335 -12.130 -0.537 1.00 0.00 H new ATOM 1172 N VAL A 72 -5.253 -13.641 3.975 1.00 0.00 N ATOM 1173 CA VAL A 72 -4.991 -14.229 5.283 1.00 0.00 C ATOM 1174 C VAL A 72 -6.303 -14.506 6.006 1.00 0.00 C ATOM 1175 O VAL A 72 -6.510 -15.592 6.547 1.00 0.00 O ATOM 1176 CB VAL A 72 -4.127 -13.285 6.121 1.00 0.00 C ATOM 1177 CG1 VAL A 72 -4.062 -13.793 7.562 1.00 0.00 C ATOM 1178 CG2 VAL A 72 -2.712 -13.236 5.534 1.00 0.00 C ATOM 0 H VAL A 72 -5.064 -12.641 3.914 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.457 -15.169 5.143 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.563 -12.286 6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.446 -13.119 8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.068 -13.830 7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.626 -14.792 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.094 -12.564 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.278 -14.236 5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.756 -12.874 4.507 1.00 0.00 H new ATOM 1188 N LYS A 73 -7.191 -13.517 5.998 1.00 0.00 N ATOM 1189 CA LYS A 73 -8.487 -13.665 6.642 1.00 0.00 C ATOM 1190 C LYS A 73 -9.340 -14.660 5.866 1.00 0.00 C ATOM 1191 O LYS A 73 -10.193 -15.342 6.435 1.00 0.00 O ATOM 1192 CB LYS A 73 -9.204 -12.313 6.706 1.00 0.00 C ATOM 1193 CG LYS A 73 -8.751 -11.555 7.956 1.00 0.00 C ATOM 1194 CD LYS A 73 -8.965 -10.054 7.749 1.00 0.00 C ATOM 1195 CE LYS A 73 -10.461 -9.764 7.615 1.00 0.00 C ATOM 1196 NZ LYS A 73 -10.774 -9.397 6.205 1.00 0.00 N ATOM 0 H LYS A 73 -7.037 -12.611 5.555 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.334 -14.034 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.982 -11.729 5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.283 -12.462 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.313 -11.897 8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.699 -11.759 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.550 -9.498 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.438 -9.721 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.039 -10.639 7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.746 -8.953 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.791 -9.200 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.233 -8.550 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.517 -10.184 5.576 1.00 0.00 H new ATOM 1210 N SER A 74 -9.101 -14.734 4.560 1.00 0.00 N ATOM 1211 CA SER A 74 -9.851 -15.650 3.706 1.00 0.00 C ATOM 1212 C SER A 74 -9.760 -17.076 4.240 1.00 0.00 C ATOM 1213 O SER A 74 -10.655 -17.891 4.013 1.00 0.00 O ATOM 1214 CB SER A 74 -9.303 -15.602 2.280 1.00 0.00 C ATOM 1215 OG SER A 74 -8.309 -16.605 2.125 1.00 0.00 O ATOM 0 H SER A 74 -8.400 -14.176 4.073 1.00 0.00 H new ATOM 0 HA SER A 74 -10.896 -15.341 3.704 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.109 -15.759 1.563 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.879 -14.619 2.074 1.00 0.00 H new ATOM 0 HG SER A 74 -7.437 -16.245 2.390 1.00 0.00 H new ATOM 1221 N LYS A 75 -8.676 -17.370 4.949 1.00 0.00 N ATOM 1222 CA LYS A 75 -8.480 -18.701 5.512 1.00 0.00 C ATOM 1223 C LYS A 75 -9.415 -18.921 6.697 1.00 0.00 C ATOM 1224 O LYS A 75 -9.499 -20.024 7.238 1.00 0.00 O ATOM 1225 CB LYS A 75 -7.030 -18.865 5.972 1.00 0.00 C ATOM 1226 CG LYS A 75 -6.085 -18.586 4.800 1.00 0.00 C ATOM 1227 CD LYS A 75 -5.785 -19.891 4.058 1.00 0.00 C ATOM 1228 CE LYS A 75 -5.818 -19.639 2.550 1.00 0.00 C ATOM 1229 NZ LYS A 75 -7.233 -19.606 2.084 1.00 0.00 N ATOM 0 H LYS A 75 -7.924 -16.710 5.147 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.703 -19.438 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.819 -18.180 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.870 -19.875 6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.537 -17.865 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.159 -18.142 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.807 -20.273 4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.518 -20.651 4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.325 -18.695 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.270 -20.423 2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.285 -19.956 1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.815 -20.210 2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.588 -18.629 2.121 1.00 0.00 H new ATOM 1243 N ARG A 76 -10.111 -17.864 7.096 1.00 0.00 N ATOM 1244 CA ARG A 76 -11.034 -17.946 8.223 1.00 0.00 C ATOM 1245 C ARG A 76 -12.144 -18.956 7.947 1.00 0.00 C ATOM 1246 O ARG A 76 -12.796 -19.441 8.872 1.00 0.00 O ATOM 1247 CB ARG A 76 -11.648 -16.571 8.492 1.00 0.00 C ATOM 1248 CG ARG A 76 -12.504 -16.628 9.759 1.00 0.00 C ATOM 1249 CD ARG A 76 -13.052 -15.234 10.066 1.00 0.00 C ATOM 1250 NE ARG A 76 -13.570 -15.181 11.428 1.00 0.00 N ATOM 1251 CZ ARG A 76 -13.526 -14.058 12.137 1.00 0.00 C ATOM 1252 NH1 ARG A 76 -13.009 -12.978 11.619 1.00 0.00 N ATOM 1253 NH2 ARG A 76 -14.000 -14.035 13.354 1.00 0.00 N ATOM 0 H ARG A 76 -10.055 -16.944 6.659 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.475 -18.276 9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.860 -15.826 8.607 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.258 -16.262 7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.325 -17.332 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.908 -16.989 10.597 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.265 -14.491 9.940 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.843 -14.983 9.359 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.973 -16.021 11.844 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.638 -12.995 10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.976 -12.116 12.164 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.404 -14.879 13.760 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.966 -13.173 13.898 1.00 0.00 H new ATOM 1267 N ARG A 77 -12.358 -19.268 6.673 1.00 0.00 N ATOM 1268 CA ARG A 77 -13.399 -20.219 6.297 1.00 0.00 C ATOM 1269 C ARG A 77 -12.896 -21.656 6.429 1.00 0.00 C ATOM 1270 O ARG A 77 -13.682 -22.602 6.404 1.00 0.00 O ATOM 1271 CB ARG A 77 -13.854 -19.955 4.856 1.00 0.00 C ATOM 1272 CG ARG A 77 -13.121 -20.893 3.893 1.00 0.00 C ATOM 1273 CD ARG A 77 -13.341 -20.424 2.455 1.00 0.00 C ATOM 1274 NE ARG A 77 -13.032 -21.501 1.522 1.00 0.00 N ATOM 1275 CZ ARG A 77 -12.454 -21.252 0.351 1.00 0.00 C ATOM 1276 NH1 ARG A 77 -12.163 -20.025 0.012 1.00 0.00 N ATOM 1277 NH2 ARG A 77 -12.179 -22.235 -0.461 1.00 0.00 N ATOM 0 H ARG A 77 -11.831 -18.881 5.890 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.245 -20.087 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -14.930 -20.105 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -13.655 -18.917 4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.056 -20.907 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.486 -21.913 4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.375 -20.104 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.711 -19.560 2.246 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.263 -22.462 1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.379 -19.256 0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.720 -19.836 -0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.407 -23.193 -0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.736 -22.045 -1.360 1.00 0.00 H new ATOM 1291 N GLU A 78 -11.583 -21.812 6.566 1.00 0.00 N ATOM 1292 CA GLU A 78 -10.992 -23.137 6.697 1.00 0.00 C ATOM 1293 C GLU A 78 -10.412 -23.333 8.094 1.00 0.00 C ATOM 1294 O GLU A 78 -9.878 -22.400 8.692 1.00 0.00 O ATOM 1295 CB GLU A 78 -9.889 -23.322 5.651 1.00 0.00 C ATOM 1296 CG GLU A 78 -10.360 -24.303 4.576 1.00 0.00 C ATOM 1297 CD GLU A 78 -9.232 -24.574 3.587 1.00 0.00 C ATOM 1298 OE1 GLU A 78 -8.709 -23.618 3.039 1.00 0.00 O ATOM 1299 OE2 GLU A 78 -8.908 -25.735 3.392 1.00 0.00 O ATOM 0 H GLU A 78 -10.913 -21.043 6.589 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.774 -23.880 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.639 -22.363 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.982 -23.696 6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.681 -25.236 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.224 -23.894 4.052 1.00 0.00 H new ATOM 1306 N HIS A 79 -10.524 -24.554 8.608 1.00 0.00 N ATOM 1307 CA HIS A 79 -10.009 -24.865 9.936 1.00 0.00 C ATOM 1308 C HIS A 79 -8.511 -24.594 10.006 1.00 0.00 C ATOM 1309 O HIS A 79 -7.869 -24.337 8.988 1.00 0.00 O ATOM 1310 CB HIS A 79 -10.281 -26.334 10.268 1.00 0.00 C ATOM 1311 CG HIS A 79 -11.628 -26.459 10.923 1.00 0.00 C ATOM 1312 ND1 HIS A 79 -12.406 -25.354 11.228 1.00 0.00 N ATOM 1313 CD2 HIS A 79 -12.348 -27.551 11.340 1.00 0.00 C ATOM 1314 CE1 HIS A 79 -13.538 -25.801 11.802 1.00 0.00 C ATOM 1315 NE2 HIS A 79 -13.554 -27.133 11.894 1.00 0.00 N ATOM 0 H HIS A 79 -10.964 -25.339 8.128 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.515 -24.228 10.662 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.250 -26.935 9.359 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -9.505 -26.718 10.931 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -12.027 -28.578 11.251 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.336 -25.160 12.146 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.292 -27.718 12.286 1.00 0.00 H new ATOM 1324 N SER A 80 -7.958 -24.652 11.214 1.00 0.00 N ATOM 1325 CA SER A 80 -6.533 -24.410 11.404 1.00 0.00 C ATOM 1326 C SER A 80 -5.886 -25.569 12.156 1.00 0.00 C ATOM 1327 O SER A 80 -6.564 -26.509 12.571 1.00 0.00 O ATOM 1328 CB SER A 80 -6.321 -23.112 12.184 1.00 0.00 C ATOM 1329 OG SER A 80 -7.584 -22.567 12.542 1.00 0.00 O ATOM 0 H SER A 80 -8.471 -24.863 12.070 1.00 0.00 H new ATOM 0 HA SER A 80 -6.067 -24.324 10.423 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.728 -23.304 13.078 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.762 -22.398 11.579 1.00 0.00 H new ATOM 0 HG SER A 80 -7.451 -21.736 13.044 1.00 0.00 H new ATOM 1335 N ASN A 81 -4.570 -25.494 12.327 1.00 0.00 N ATOM 1336 CA ASN A 81 -3.839 -26.540 13.032 1.00 0.00 C ATOM 1337 C ASN A 81 -2.680 -25.940 13.822 1.00 0.00 C ATOM 1338 O ASN A 81 -2.511 -26.224 15.007 1.00 0.00 O ATOM 1339 CB ASN A 81 -3.305 -27.567 12.034 1.00 0.00 C ATOM 1340 CG ASN A 81 -2.781 -28.792 12.777 1.00 0.00 C ATOM 1341 OD1 ASN A 81 -2.827 -28.841 14.006 1.00 0.00 O ATOM 1342 ND2 ASN A 81 -2.283 -29.792 12.100 1.00 0.00 N ATOM 0 H ASN A 81 -3.991 -24.725 11.989 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.521 -27.032 13.726 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.096 -27.861 11.344 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.508 -27.125 11.436 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.932 -30.615 12.590 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.246 -29.750 11.082 1.00 0.00 H new ATOM 1349 N ASP A 82 -1.886 -25.107 13.156 1.00 0.00 N ATOM 1350 CA ASP A 82 -0.746 -24.468 13.803 1.00 0.00 C ATOM 1351 C ASP A 82 -1.001 -22.972 13.974 1.00 0.00 C ATOM 1352 O ASP A 82 -1.612 -22.338 13.115 1.00 0.00 O ATOM 1353 CB ASP A 82 0.515 -24.678 12.960 1.00 0.00 C ATOM 1354 CG ASP A 82 1.684 -25.084 13.852 1.00 0.00 C ATOM 1355 OD1 ASP A 82 1.624 -26.162 14.419 1.00 0.00 O ATOM 1356 OD2 ASP A 82 2.620 -24.309 13.955 1.00 0.00 O ATOM 0 H ASP A 82 -2.010 -24.860 12.174 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.606 -24.918 14.786 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.336 -25.448 12.210 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.759 -23.761 12.423 1.00 0.00 H new ATOM 1361 N PRO A 83 -0.547 -22.399 15.060 1.00 0.00 N ATOM 1362 CA PRO A 83 -0.732 -20.945 15.338 1.00 0.00 C ATOM 1363 C PRO A 83 -0.061 -20.072 14.281 1.00 0.00 C ATOM 1364 O PRO A 83 0.969 -20.443 13.718 1.00 0.00 O ATOM 1365 CB PRO A 83 -0.085 -20.737 16.712 1.00 0.00 C ATOM 1366 CG PRO A 83 0.797 -21.920 16.933 1.00 0.00 C ATOM 1367 CD PRO A 83 0.192 -23.072 16.137 1.00 0.00 C ATOM 0 HA PRO A 83 -1.784 -20.660 15.319 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.490 -19.811 16.737 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.842 -20.663 17.493 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.814 -21.712 16.601 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.853 -22.169 17.993 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.962 -23.734 15.741 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.467 -23.683 16.754 1.00 0.00 H new ATOM 1375 N TYR A 84 -0.653 -18.911 14.016 1.00 0.00 N ATOM 1376 CA TYR A 84 -0.102 -17.996 13.022 1.00 0.00 C ATOM 1377 C TYR A 84 0.773 -16.940 13.690 1.00 0.00 C ATOM 1378 O TYR A 84 0.335 -16.244 14.606 1.00 0.00 O ATOM 1379 CB TYR A 84 -1.236 -17.310 12.257 1.00 0.00 C ATOM 1380 CG TYR A 84 -1.553 -18.103 11.013 1.00 0.00 C ATOM 1381 CD1 TYR A 84 -1.539 -19.503 11.051 1.00 0.00 C ATOM 1382 CD2 TYR A 84 -1.862 -17.439 9.820 1.00 0.00 C ATOM 1383 CE1 TYR A 84 -1.834 -20.238 9.897 1.00 0.00 C ATOM 1384 CE2 TYR A 84 -2.156 -18.174 8.666 1.00 0.00 C ATOM 1385 CZ TYR A 84 -2.143 -19.574 8.705 1.00 0.00 C ATOM 1386 OH TYR A 84 -2.434 -20.298 7.566 1.00 0.00 O ATOM 0 H TYR A 84 -1.506 -18.584 14.470 1.00 0.00 H new ATOM 0 HA TYR A 84 0.509 -18.572 12.327 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.121 -17.234 12.888 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.946 -16.294 11.990 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.300 -20.016 11.971 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.874 -16.359 9.790 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.823 -21.318 9.927 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.393 -17.662 7.745 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.627 -19.683 6.828 1.00 0.00 H new ATOM 1396 N HIS A 85 2.013 -16.829 13.224 1.00 0.00 N ATOM 1397 CA HIS A 85 2.946 -15.856 13.780 1.00 0.00 C ATOM 1398 C HIS A 85 4.259 -15.871 13.005 1.00 0.00 C ATOM 1399 O HIS A 85 4.380 -15.235 11.959 1.00 0.00 O ATOM 1400 CB HIS A 85 3.216 -16.173 15.252 1.00 0.00 C ATOM 1401 CG HIS A 85 2.153 -15.540 16.106 1.00 0.00 C ATOM 1402 ND1 HIS A 85 1.627 -14.288 15.825 1.00 0.00 N ATOM 1403 CD2 HIS A 85 1.506 -15.972 17.238 1.00 0.00 C ATOM 1404 CE1 HIS A 85 0.705 -14.014 16.767 1.00 0.00 C ATOM 1405 NE2 HIS A 85 0.592 -15.008 17.653 1.00 0.00 N ATOM 0 H HIS A 85 2.393 -17.397 12.467 1.00 0.00 H new ATOM 0 HA HIS A 85 2.500 -14.865 13.699 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.226 -17.252 15.406 1.00 0.00 H new ATOM 0 HB3 HIS A 85 4.199 -15.800 15.541 1.00 0.00 H new ATOM 0 HD2 HIS A 85 1.680 -16.917 17.731 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.127 -13.102 16.802 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -0.030 -15.051 18.460 1.00 0.00 H new ATOM 1414 N GLN A 86 5.238 -16.601 13.526 1.00 0.00 N ATOM 1415 CA GLN A 86 6.540 -16.694 12.874 1.00 0.00 C ATOM 1416 C GLN A 86 6.447 -17.540 11.606 1.00 0.00 C ATOM 1417 O GLN A 86 7.309 -17.459 10.731 1.00 0.00 O ATOM 1418 CB GLN A 86 7.557 -17.315 13.835 1.00 0.00 C ATOM 1419 CG GLN A 86 6.852 -17.716 15.132 1.00 0.00 C ATOM 1420 CD GLN A 86 7.835 -18.412 16.067 1.00 0.00 C ATOM 1421 OE1 GLN A 86 9.007 -18.572 15.728 1.00 0.00 O ATOM 1422 NE2 GLN A 86 7.425 -18.837 17.231 1.00 0.00 N ATOM 0 H GLN A 86 5.157 -17.134 14.392 1.00 0.00 H new ATOM 0 HA GLN A 86 6.864 -15.690 12.600 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.022 -18.188 13.376 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.355 -16.603 14.047 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.438 -16.833 15.618 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.016 -18.379 14.911 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.453 -18.703 17.509 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.077 -19.303 17.862 1.00 0.00 H new ATOM 1431 N TYR A 87 5.398 -18.350 11.517 1.00 0.00 N ATOM 1432 CA TYR A 87 5.202 -19.209 10.354 1.00 0.00 C ATOM 1433 C TYR A 87 4.636 -18.413 9.183 1.00 0.00 C ATOM 1434 O TYR A 87 4.293 -18.979 8.144 1.00 0.00 O ATOM 1435 CB TYR A 87 4.249 -20.355 10.702 1.00 0.00 C ATOM 1436 CG TYR A 87 5.039 -21.526 11.233 1.00 0.00 C ATOM 1437 CD1 TYR A 87 6.078 -21.315 12.148 1.00 0.00 C ATOM 1438 CD2 TYR A 87 4.733 -22.826 10.810 1.00 0.00 C ATOM 1439 CE1 TYR A 87 6.810 -22.402 12.639 1.00 0.00 C ATOM 1440 CE2 TYR A 87 5.465 -23.913 11.303 1.00 0.00 C ATOM 1441 CZ TYR A 87 6.503 -23.700 12.218 1.00 0.00 C ATOM 1442 OH TYR A 87 7.224 -24.772 12.705 1.00 0.00 O ATOM 0 H TYR A 87 4.674 -18.430 12.231 1.00 0.00 H new ATOM 0 HA TYR A 87 6.171 -19.617 10.065 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.524 -20.025 11.446 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.686 -20.654 9.818 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.314 -20.313 12.475 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.933 -22.990 10.104 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.612 -22.239 13.343 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.229 -24.915 10.978 1.00 0.00 H new ATOM 0 HH TYR A 87 6.882 -25.602 12.312 1.00 0.00 H new ATOM 1452 N ILE A 88 4.537 -17.099 9.356 1.00 0.00 N ATOM 1453 CA ILE A 88 4.005 -16.240 8.303 1.00 0.00 C ATOM 1454 C ILE A 88 4.744 -16.484 6.991 1.00 0.00 C ATOM 1455 O ILE A 88 4.148 -16.437 5.914 1.00 0.00 O ATOM 1456 CB ILE A 88 4.147 -14.770 8.708 1.00 0.00 C ATOM 1457 CG1 ILE A 88 2.949 -14.361 9.570 1.00 0.00 C ATOM 1458 CG2 ILE A 88 4.202 -13.890 7.457 1.00 0.00 C ATOM 1459 CD1 ILE A 88 1.719 -14.151 8.682 1.00 0.00 C ATOM 0 H ILE A 88 4.815 -16.609 10.206 1.00 0.00 H new ATOM 0 HA ILE A 88 2.950 -16.477 8.162 1.00 0.00 H new ATOM 0 HB ILE A 88 5.067 -14.641 9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.745 -15.131 10.314 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.177 -13.444 10.114 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.303 -12.845 7.751 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.057 -14.179 6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.285 -14.018 6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.869 -13.860 9.300 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.925 -13.365 7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.486 -15.078 8.158 1.00 0.00 H new ATOM 1471 N VAL A 89 6.043 -16.752 7.085 1.00 0.00 N ATOM 1472 CA VAL A 89 6.846 -17.008 5.896 1.00 0.00 C ATOM 1473 C VAL A 89 6.487 -18.363 5.296 1.00 0.00 C ATOM 1474 O VAL A 89 6.697 -18.602 4.106 1.00 0.00 O ATOM 1475 CB VAL A 89 8.334 -16.984 6.249 1.00 0.00 C ATOM 1476 CG1 VAL A 89 8.554 -17.695 7.585 1.00 0.00 C ATOM 1477 CG2 VAL A 89 9.128 -17.702 5.154 1.00 0.00 C ATOM 0 H VAL A 89 6.558 -16.797 7.964 1.00 0.00 H new ATOM 0 HA VAL A 89 6.637 -16.227 5.165 1.00 0.00 H new ATOM 0 HB VAL A 89 8.672 -15.951 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.615 -17.678 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.988 -17.186 8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.216 -18.728 7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.189 -17.686 5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.789 -18.735 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.972 -17.197 4.201 1.00 0.00 H new ATOM 1487 N GLU A 90 5.940 -19.245 6.126 1.00 0.00 N ATOM 1488 CA GLU A 90 5.551 -20.573 5.665 1.00 0.00 C ATOM 1489 C GLU A 90 4.523 -20.463 4.545 1.00 0.00 C ATOM 1490 O GLU A 90 4.598 -21.180 3.547 1.00 0.00 O ATOM 1491 CB GLU A 90 4.964 -21.379 6.825 1.00 0.00 C ATOM 1492 CG GLU A 90 5.408 -22.839 6.710 1.00 0.00 C ATOM 1493 CD GLU A 90 6.884 -22.967 7.069 1.00 0.00 C ATOM 1494 OE1 GLU A 90 7.252 -22.527 8.146 1.00 0.00 O ATOM 1495 OE2 GLU A 90 7.626 -23.504 6.262 1.00 0.00 O ATOM 0 H GLU A 90 5.757 -19.067 7.113 1.00 0.00 H new ATOM 0 HA GLU A 90 6.436 -21.083 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.295 -20.961 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.876 -21.317 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.809 -23.463 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.240 -23.200 5.695 1.00 0.00 H new ATOM 1502 N ASP A 91 3.565 -19.555 4.713 1.00 0.00 N ATOM 1503 CA ASP A 91 2.532 -19.356 3.704 1.00 0.00 C ATOM 1504 C ASP A 91 3.170 -18.987 2.369 1.00 0.00 C ATOM 1505 O ASP A 91 2.732 -19.441 1.313 1.00 0.00 O ATOM 1506 CB ASP A 91 1.575 -18.247 4.142 1.00 0.00 C ATOM 1507 CG ASP A 91 0.132 -18.688 3.921 1.00 0.00 C ATOM 1508 OD1 ASP A 91 -0.297 -19.606 4.602 1.00 0.00 O ATOM 1509 OD2 ASP A 91 -0.523 -18.102 3.075 1.00 0.00 O ATOM 0 H ASP A 91 3.484 -18.951 5.531 1.00 0.00 H new ATOM 0 HA ASP A 91 1.972 -20.284 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.735 -18.011 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.777 -17.337 3.577 1.00 0.00 H new ATOM 1514 N TRP A 92 4.214 -18.166 2.431 1.00 0.00 N ATOM 1515 CA TRP A 92 4.919 -17.744 1.226 1.00 0.00 C ATOM 1516 C TRP A 92 5.597 -18.942 0.569 1.00 0.00 C ATOM 1517 O TRP A 92 5.581 -19.086 -0.653 1.00 0.00 O ATOM 1518 CB TRP A 92 5.975 -16.691 1.583 1.00 0.00 C ATOM 1519 CG TRP A 92 5.564 -15.355 1.050 1.00 0.00 C ATOM 1520 CD1 TRP A 92 5.125 -14.321 1.804 1.00 0.00 C ATOM 1521 CD2 TRP A 92 5.550 -14.889 -0.330 1.00 0.00 C ATOM 1522 NE1 TRP A 92 4.843 -13.250 0.975 1.00 0.00 N ATOM 1523 CE2 TRP A 92 5.089 -13.551 -0.350 1.00 0.00 C ATOM 1524 CE3 TRP A 92 5.889 -15.491 -1.556 1.00 0.00 C ATOM 1525 CZ2 TRP A 92 4.968 -12.836 -1.542 1.00 0.00 C ATOM 1526 CZ3 TRP A 92 5.769 -14.774 -2.757 1.00 0.00 C ATOM 1527 CH2 TRP A 92 5.310 -13.449 -2.751 1.00 0.00 C ATOM 0 H TRP A 92 4.589 -17.782 3.298 1.00 0.00 H new ATOM 0 HA TRP A 92 4.199 -17.314 0.530 1.00 0.00 H new ATOM 0 HB2 TRP A 92 6.097 -16.638 2.665 1.00 0.00 H new ATOM 0 HB3 TRP A 92 6.941 -16.977 1.167 1.00 0.00 H new ATOM 0 HD1 TRP A 92 5.013 -14.330 2.878 1.00 0.00 H new ATOM 0 HE1 TRP A 92 4.496 -12.348 1.302 1.00 0.00 H new ATOM 0 HE3 TRP A 92 6.244 -16.511 -1.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 4.613 -11.816 -1.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 6.032 -15.246 -3.692 1.00 0.00 H new ATOM 0 HH2 TRP A 92 5.221 -12.903 -3.679 1.00 0.00 H new ATOM 1538 N GLN A 93 6.190 -19.800 1.394 1.00 0.00 N ATOM 1539 CA GLN A 93 6.872 -20.987 0.891 1.00 0.00 C ATOM 1540 C GLN A 93 5.859 -22.012 0.393 1.00 0.00 C ATOM 1541 O GLN A 93 6.152 -22.806 -0.503 1.00 0.00 O ATOM 1542 CB GLN A 93 7.726 -21.607 1.999 1.00 0.00 C ATOM 1543 CG GLN A 93 9.176 -21.147 1.843 1.00 0.00 C ATOM 1544 CD GLN A 93 9.940 -21.382 3.141 1.00 0.00 C ATOM 1545 OE1 GLN A 93 9.607 -20.715 4.213 1.00 0.00 O flip ATOM 1546 NE2 GLN A 93 10.866 -22.193 3.181 1.00 0.00 N flip ATOM 0 H GLN A 93 6.212 -19.696 2.408 1.00 0.00 H new ATOM 0 HA GLN A 93 7.514 -20.692 0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.343 -21.312 2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.671 -22.694 1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.653 -21.690 1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.204 -20.089 1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.125 -22.713 2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.374 -22.344 4.052 1.00 0.00 H new ATOM 1555 N GLU A 94 4.663 -21.985 0.973 1.00 0.00 N ATOM 1556 CA GLU A 94 3.610 -22.909 0.574 1.00 0.00 C ATOM 1557 C GLU A 94 3.030 -22.481 -0.766 1.00 0.00 C ATOM 1558 O GLU A 94 2.861 -23.296 -1.673 1.00 0.00 O ATOM 1559 CB GLU A 94 2.504 -22.933 1.631 1.00 0.00 C ATOM 1560 CG GLU A 94 2.096 -24.380 1.915 1.00 0.00 C ATOM 1561 CD GLU A 94 0.658 -24.425 2.418 1.00 0.00 C ATOM 1562 OE1 GLU A 94 -0.146 -23.650 1.926 1.00 0.00 O ATOM 1563 OE2 GLU A 94 0.381 -25.234 3.287 1.00 0.00 O ATOM 0 H GLU A 94 4.401 -21.337 1.716 1.00 0.00 H new ATOM 0 HA GLU A 94 4.034 -23.909 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.852 -22.456 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.642 -22.363 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.192 -24.979 1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.764 -24.816 2.658 1.00 0.00 H new ATOM 1570 N LYS A 95 2.742 -21.190 -0.887 1.00 0.00 N ATOM 1571 CA LYS A 95 2.201 -20.656 -2.126 1.00 0.00 C ATOM 1572 C LYS A 95 3.236 -20.796 -3.235 1.00 0.00 C ATOM 1573 O LYS A 95 2.896 -20.849 -4.417 1.00 0.00 O ATOM 1574 CB LYS A 95 1.828 -19.181 -1.945 1.00 0.00 C ATOM 1575 CG LYS A 95 0.349 -18.977 -2.289 1.00 0.00 C ATOM 1576 CD LYS A 95 0.132 -19.226 -3.782 1.00 0.00 C ATOM 1577 CE LYS A 95 -1.270 -19.794 -4.009 1.00 0.00 C ATOM 1578 NZ LYS A 95 -2.287 -18.779 -3.615 1.00 0.00 N ATOM 0 H LYS A 95 2.874 -20.500 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 95 1.304 -21.215 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.019 -18.871 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.450 -18.557 -2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.269 -19.657 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.041 -17.964 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.253 -18.296 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.882 -19.922 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.399 -20.066 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.404 -20.704 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.227 -19.085 -3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.294 -18.678 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.052 -17.864 -4.051 1.00 0.00 H new ATOM 1592 N TYR A 96 4.503 -20.863 -2.836 1.00 0.00 N ATOM 1593 CA TYR A 96 5.593 -21.007 -3.796 1.00 0.00 C ATOM 1594 C TYR A 96 5.626 -22.430 -4.343 1.00 0.00 C ATOM 1595 O TYR A 96 5.866 -22.644 -5.532 1.00 0.00 O ATOM 1596 CB TYR A 96 6.928 -20.687 -3.121 1.00 0.00 C ATOM 1597 CG TYR A 96 7.759 -19.807 -4.026 1.00 0.00 C ATOM 1598 CD1 TYR A 96 8.074 -20.236 -5.322 1.00 0.00 C ATOM 1599 CD2 TYR A 96 8.216 -18.565 -3.571 1.00 0.00 C ATOM 1600 CE1 TYR A 96 8.846 -19.423 -6.161 1.00 0.00 C ATOM 1601 CE2 TYR A 96 8.988 -17.751 -4.409 1.00 0.00 C ATOM 1602 CZ TYR A 96 9.303 -18.180 -5.704 1.00 0.00 C ATOM 1603 OH TYR A 96 10.065 -17.378 -6.530 1.00 0.00 O ATOM 0 H TYR A 96 4.799 -20.820 -1.861 1.00 0.00 H new ATOM 0 HA TYR A 96 5.429 -20.312 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 96 6.754 -20.185 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.466 -21.609 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.721 -21.194 -5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 96 7.973 -18.234 -2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.089 -19.754 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.340 -16.793 -4.057 1.00 0.00 H new ATOM 0 HH TYR A 96 10.298 -16.551 -6.059 1.00 0.00 H new ATOM 1613 N LYS A 97 5.378 -23.399 -3.468 1.00 0.00 N ATOM 1614 CA LYS A 97 5.377 -24.801 -3.869 1.00 0.00 C ATOM 1615 C LYS A 97 4.254 -25.065 -4.866 1.00 0.00 C ATOM 1616 O LYS A 97 4.432 -25.796 -5.840 1.00 0.00 O ATOM 1617 CB LYS A 97 5.189 -25.693 -2.641 1.00 0.00 C ATOM 1618 CG LYS A 97 6.192 -26.847 -2.685 1.00 0.00 C ATOM 1619 CD LYS A 97 6.120 -27.632 -1.374 1.00 0.00 C ATOM 1620 CE LYS A 97 6.033 -29.128 -1.677 1.00 0.00 C ATOM 1621 NZ LYS A 97 6.007 -29.894 -0.399 1.00 0.00 N ATOM 0 H LYS A 97 5.176 -23.240 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 97 6.333 -25.029 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.330 -25.110 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.172 -26.083 -2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.972 -27.503 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.200 -26.462 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.000 -27.424 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.251 -27.316 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.136 -29.340 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.886 -29.438 -2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.948 -30.912 -0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.875 -29.700 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.180 -29.606 0.162 1.00 0.00 H new ATOM 1635 N SER A 98 3.096 -24.466 -4.612 1.00 0.00 N ATOM 1636 CA SER A 98 1.946 -24.642 -5.491 1.00 0.00 C ATOM 1637 C SER A 98 2.230 -24.049 -6.867 1.00 0.00 C ATOM 1638 O SER A 98 1.745 -24.550 -7.881 1.00 0.00 O ATOM 1639 CB SER A 98 0.718 -23.963 -4.885 1.00 0.00 C ATOM 1640 OG SER A 98 1.129 -23.101 -3.832 1.00 0.00 O ATOM 0 H SER A 98 2.929 -23.858 -3.810 1.00 0.00 H new ATOM 0 HA SER A 98 1.754 -25.709 -5.600 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.188 -23.395 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.023 -24.713 -4.506 1.00 0.00 H new ATOM 0 HG SER A 98 1.609 -22.333 -4.206 1.00 0.00 H new ATOM 1646 N GLN A 99 3.018 -22.979 -6.894 1.00 0.00 N ATOM 1647 CA GLN A 99 3.357 -22.328 -8.154 1.00 0.00 C ATOM 1648 C GLN A 99 4.074 -23.301 -9.083 1.00 0.00 C ATOM 1649 O GLN A 99 3.734 -23.412 -10.262 1.00 0.00 O ATOM 1650 CB GLN A 99 4.248 -21.112 -7.892 1.00 0.00 C ATOM 1651 CG GLN A 99 3.394 -19.964 -7.351 1.00 0.00 C ATOM 1652 CD GLN A 99 3.058 -18.991 -8.476 1.00 0.00 C ATOM 1653 OE1 GLN A 99 3.156 -19.384 -9.716 1.00 0.00 O flip ATOM 1654 NE2 GLN A 99 2.699 -17.843 -8.218 1.00 0.00 N flip ATOM 0 H GLN A 99 3.430 -22.548 -6.067 1.00 0.00 H new ATOM 0 HA GLN A 99 2.434 -22.002 -8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.029 -21.367 -7.176 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.746 -20.807 -8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.477 -20.357 -6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.930 -19.444 -6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.623 -17.538 -7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.477 -17.196 -8.975 1.00 0.00 H new ATOM 1663 N ILE A 100 5.064 -24.007 -8.548 1.00 0.00 N ATOM 1664 CA ILE A 100 5.817 -24.969 -9.346 1.00 0.00 C ATOM 1665 C ILE A 100 4.967 -26.202 -9.634 1.00 0.00 C ATOM 1666 O ILE A 100 4.982 -26.733 -10.745 1.00 0.00 O ATOM 1667 CB ILE A 100 7.088 -25.383 -8.604 1.00 0.00 C ATOM 1668 CG1 ILE A 100 7.972 -24.154 -8.383 1.00 0.00 C ATOM 1669 CG2 ILE A 100 7.851 -26.417 -9.437 1.00 0.00 C ATOM 1670 CD1 ILE A 100 9.139 -24.523 -7.466 1.00 0.00 C ATOM 0 H ILE A 100 5.362 -23.933 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 100 6.088 -24.498 -10.291 1.00 0.00 H new ATOM 0 HB ILE A 100 6.822 -25.817 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.348 -23.787 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.388 -23.348 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.757 -26.713 -8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.221 -27.293 -9.596 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.118 -25.983 -10.400 1.00 0.00 H new ATOM 0 HD11 ILE A 100 9.769 -23.647 -7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.753 -24.870 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.728 -25.315 -7.928 1.00 0.00 H new ATOM 1682 N LEU A 101 4.226 -26.653 -8.627 1.00 0.00 N ATOM 1683 CA LEU A 101 3.370 -27.824 -8.785 1.00 0.00 C ATOM 1684 C LEU A 101 2.376 -27.609 -9.921 1.00 0.00 C ATOM 1685 O LEU A 101 2.025 -28.546 -10.638 1.00 0.00 O ATOM 1686 CB LEU A 101 2.610 -28.095 -7.485 1.00 0.00 C ATOM 1687 CG LEU A 101 1.809 -29.391 -7.625 1.00 0.00 C ATOM 1688 CD1 LEU A 101 2.772 -30.569 -7.778 1.00 0.00 C ATOM 1689 CD2 LEU A 101 0.943 -29.595 -6.376 1.00 0.00 C ATOM 0 H LEU A 101 4.200 -26.229 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 101 3.999 -28.682 -9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.309 -28.175 -6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.941 -27.264 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 101 1.167 -29.330 -8.504 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.203 -31.493 -7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.387 -30.423 -8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.414 -30.631 -6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.372 -30.518 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.583 -29.657 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.257 -28.755 -6.267 1.00 0.00 H new ATOM 1701 N ASN A 102 1.929 -26.368 -10.081 1.00 0.00 N ATOM 1702 CA ASN A 102 0.976 -26.039 -11.134 1.00 0.00 C ATOM 1703 C ASN A 102 1.637 -26.136 -12.505 1.00 0.00 C ATOM 1704 O ASN A 102 1.001 -26.517 -13.487 1.00 0.00 O ATOM 1705 CB ASN A 102 0.439 -24.622 -10.925 1.00 0.00 C ATOM 1706 CG ASN A 102 -0.151 -24.093 -12.228 1.00 0.00 C ATOM 1707 OD1 ASN A 102 -1.245 -24.496 -12.624 1.00 0.00 O ATOM 1708 ND2 ASN A 102 0.511 -23.210 -12.923 1.00 0.00 N ATOM 0 H ASN A 102 2.209 -25.578 -9.499 1.00 0.00 H new ATOM 0 HA ASN A 102 0.153 -26.752 -11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -0.323 -24.624 -10.145 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.241 -23.966 -10.586 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.123 -22.852 -13.796 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.417 -22.877 -12.594 1.00 0.00 H new ATOM 1715 N LEU A 103 2.917 -25.786 -12.563 1.00 0.00 N ATOM 1716 CA LEU A 103 3.656 -25.834 -13.820 1.00 0.00 C ATOM 1717 C LEU A 103 3.711 -27.261 -14.359 1.00 0.00 C ATOM 1718 O LEU A 103 3.461 -27.498 -15.541 1.00 0.00 O ATOM 1719 CB LEU A 103 5.078 -25.312 -13.606 1.00 0.00 C ATOM 1720 CG LEU A 103 5.157 -23.852 -14.055 1.00 0.00 C ATOM 1721 CD1 LEU A 103 4.017 -23.059 -13.413 1.00 0.00 C ATOM 1722 CD2 LEU A 103 6.500 -23.257 -13.623 1.00 0.00 C ATOM 0 H LEU A 103 3.462 -25.468 -11.761 1.00 0.00 H new ATOM 0 HA LEU A 103 3.141 -25.205 -14.547 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.353 -25.396 -12.555 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.788 -25.916 -14.171 1.00 0.00 H new ATOM 0 HG LEU A 103 5.069 -23.800 -15.140 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.073 -22.018 -13.733 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.061 -23.482 -13.721 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.104 -23.110 -12.328 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.557 -22.217 -13.943 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.589 -23.308 -12.538 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.312 -23.822 -14.080 1.00 0.00 H new ATOM 1734 N GLU A 104 4.044 -28.205 -13.486 1.00 0.00 N ATOM 1735 CA GLU A 104 4.133 -29.605 -13.883 1.00 0.00 C ATOM 1736 C GLU A 104 2.856 -30.052 -14.589 1.00 0.00 C ATOM 1737 O GLU A 104 2.902 -30.841 -15.533 1.00 0.00 O ATOM 1738 CB GLU A 104 4.371 -30.481 -12.651 1.00 0.00 C ATOM 1739 CG GLU A 104 5.284 -31.652 -13.024 1.00 0.00 C ATOM 1740 CD GLU A 104 5.340 -32.655 -11.876 1.00 0.00 C ATOM 1741 OE1 GLU A 104 4.590 -32.483 -10.929 1.00 0.00 O ATOM 1742 OE2 GLU A 104 6.131 -33.580 -11.962 1.00 0.00 O ATOM 0 H GLU A 104 4.256 -28.028 -12.504 1.00 0.00 H new ATOM 0 HA GLU A 104 4.968 -29.712 -14.575 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.825 -29.891 -11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.421 -30.854 -12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.914 -32.139 -13.926 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.286 -31.286 -13.247 1.00 0.00 H new ATOM 1749 N GLU A 105 1.719 -29.545 -14.125 1.00 0.00 N ATOM 1750 CA GLU A 105 0.435 -29.904 -14.719 1.00 0.00 C ATOM 1751 C GLU A 105 0.388 -29.501 -16.191 1.00 0.00 C ATOM 1752 O GLU A 105 -0.085 -30.262 -17.035 1.00 0.00 O ATOM 1753 CB GLU A 105 -0.701 -29.210 -13.965 1.00 0.00 C ATOM 1754 CG GLU A 105 -0.677 -29.642 -12.498 1.00 0.00 C ATOM 1755 CD GLU A 105 -1.824 -28.979 -11.742 1.00 0.00 C ATOM 1756 OE1 GLU A 105 -2.964 -29.301 -12.034 1.00 0.00 O ATOM 1757 OE2 GLU A 105 -1.546 -28.161 -10.880 1.00 0.00 O ATOM 0 H GLU A 105 1.659 -28.889 -13.346 1.00 0.00 H new ATOM 0 HA GLU A 105 0.316 -30.985 -14.647 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.593 -28.128 -14.038 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.660 -29.466 -14.415 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.763 -30.726 -12.428 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.275 -29.367 -12.045 1.00 0.00 H new ATOM 1764 N SER A 106 0.878 -28.303 -16.490 1.00 0.00 N ATOM 1765 CA SER A 106 0.880 -27.814 -17.864 1.00 0.00 C ATOM 1766 C SER A 106 1.715 -28.726 -18.757 1.00 0.00 C ATOM 1767 O SER A 106 1.360 -28.978 -19.908 1.00 0.00 O ATOM 1768 CB SER A 106 1.442 -26.394 -17.914 1.00 0.00 C ATOM 1769 OG SER A 106 2.245 -26.247 -19.078 1.00 0.00 O ATOM 0 H SER A 106 1.275 -27.658 -15.807 1.00 0.00 H new ATOM 0 HA SER A 106 -0.147 -27.810 -18.228 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.628 -25.669 -17.926 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.035 -26.194 -17.022 1.00 0.00 H new ATOM 0 HG SER A 106 2.606 -25.336 -19.114 1.00 0.00 H new ATOM 1775 N LYS A 107 2.827 -29.218 -18.221 1.00 0.00 N ATOM 1776 CA LYS A 107 3.703 -30.102 -18.982 1.00 0.00 C ATOM 1777 C LYS A 107 2.945 -31.345 -19.437 1.00 0.00 C ATOM 1778 O LYS A 107 3.137 -31.827 -20.553 1.00 0.00 O ATOM 1779 CB LYS A 107 4.901 -30.516 -18.126 1.00 0.00 C ATOM 1780 CG LYS A 107 5.990 -31.112 -19.022 1.00 0.00 C ATOM 1781 CD LYS A 107 6.960 -31.933 -18.169 1.00 0.00 C ATOM 1782 CE LYS A 107 8.261 -32.153 -18.941 1.00 0.00 C ATOM 1783 NZ LYS A 107 7.994 -33.003 -20.135 1.00 0.00 N ATOM 0 H LYS A 107 3.141 -29.022 -17.271 1.00 0.00 H new ATOM 0 HA LYS A 107 4.056 -29.563 -19.861 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.291 -29.653 -17.587 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.592 -31.246 -17.378 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.540 -31.743 -19.789 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.527 -30.316 -19.538 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.164 -31.415 -17.232 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.511 -32.892 -17.911 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.679 -31.195 -19.250 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.001 -32.632 -18.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.896 -33.293 -20.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.460 -33.848 -19.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.439 -32.463 -20.829 1.00 0.00 H new ATOM 1797 N ALA A 108 2.085 -31.860 -18.564 1.00 0.00 N ATOM 1798 CA ALA A 108 1.305 -33.049 -18.885 1.00 0.00 C ATOM 1799 C ALA A 108 0.497 -32.835 -20.161 1.00 0.00 C ATOM 1800 O ALA A 108 0.363 -33.743 -20.982 1.00 0.00 O ATOM 1801 CB ALA A 108 0.359 -33.381 -17.729 1.00 0.00 C ATOM 0 H ALA A 108 1.912 -31.476 -17.635 1.00 0.00 H new ATOM 0 HA ALA A 108 1.994 -33.879 -19.041 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.220 -34.271 -17.977 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.940 -33.566 -16.825 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.317 -32.543 -17.560 1.00 0.00 H new ATOM 1807 N THR A 109 -0.038 -31.630 -20.325 1.00 0.00 N ATOM 1808 CA THR A 109 -0.829 -31.311 -21.508 1.00 0.00 C ATOM 1809 C THR A 109 0.021 -31.440 -22.769 1.00 0.00 C ATOM 1810 O THR A 109 -0.417 -32.008 -23.770 1.00 0.00 O ATOM 1811 CB THR A 109 -1.379 -29.886 -21.405 1.00 0.00 C ATOM 1812 OG1 THR A 109 -0.312 -28.958 -21.536 1.00 0.00 O ATOM 1813 CG2 THR A 109 -2.060 -29.696 -20.048 1.00 0.00 C ATOM 0 H THR A 109 0.060 -30.863 -19.659 1.00 0.00 H new ATOM 0 HA THR A 109 -1.659 -32.015 -21.567 1.00 0.00 H new ATOM 0 HB THR A 109 -2.106 -29.719 -22.200 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.139 -28.854 -20.672 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.451 -28.681 -19.976 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.879 -30.408 -19.949 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.336 -29.863 -19.251 1.00 0.00 H new ATOM 1821 N ILE A 110 1.240 -30.912 -22.712 1.00 0.00 N ATOM 1822 CA ILE A 110 2.144 -30.977 -23.855 1.00 0.00 C ATOM 1823 C ILE A 110 2.468 -32.427 -24.199 1.00 0.00 C ATOM 1824 O ILE A 110 2.648 -32.775 -25.366 1.00 0.00 O ATOM 1825 CB ILE A 110 3.438 -30.225 -23.539 1.00 0.00 C ATOM 1826 CG1 ILE A 110 3.119 -29.003 -22.676 1.00 0.00 C ATOM 1827 CG2 ILE A 110 4.095 -29.771 -24.843 1.00 0.00 C ATOM 1828 CD1 ILE A 110 4.376 -28.143 -22.524 1.00 0.00 C ATOM 0 H ILE A 110 1.622 -30.438 -21.894 1.00 0.00 H new ATOM 0 HA ILE A 110 1.653 -30.513 -24.711 1.00 0.00 H new ATOM 0 HB ILE A 110 4.119 -30.883 -22.999 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.320 -28.420 -23.134 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.762 -29.320 -21.696 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.017 -29.235 -24.618 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.322 -30.642 -25.458 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.415 -29.112 -25.383 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.149 -27.272 -21.909 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.162 -28.729 -22.047 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.713 -27.815 -23.507 1.00 0.00 H new ATOM 1840 N HIS A 111 2.545 -33.266 -23.173 1.00 0.00 N ATOM 1841 CA HIS A 111 2.852 -34.677 -23.369 1.00 0.00 C ATOM 1842 C HIS A 111 1.731 -35.374 -24.136 1.00 0.00 C ATOM 1843 O HIS A 111 1.963 -36.367 -24.827 1.00 0.00 O ATOM 1844 CB HIS A 111 3.046 -35.359 -22.014 1.00 0.00 C ATOM 1845 CG HIS A 111 3.338 -36.819 -22.223 1.00 0.00 C ATOM 1846 ND1 HIS A 111 4.477 -37.258 -22.877 1.00 0.00 N ATOM 1847 CD2 HIS A 111 2.647 -37.951 -21.870 1.00 0.00 C ATOM 1848 CE1 HIS A 111 4.440 -38.603 -22.899 1.00 0.00 C ATOM 1849 NE2 HIS A 111 3.345 -39.077 -22.298 1.00 0.00 N ATOM 0 H HIS A 111 2.400 -32.995 -22.200 1.00 0.00 H new ATOM 0 HA HIS A 111 3.771 -34.751 -23.951 1.00 0.00 H new ATOM 0 HB2 HIS A 111 3.866 -34.888 -21.472 1.00 0.00 H new ATOM 0 HB3 HIS A 111 2.151 -35.240 -21.404 1.00 0.00 H new ATOM 0 HD2 HIS A 111 1.706 -37.966 -21.341 1.00 0.00 H new ATOM 0 HE1 HIS A 111 5.202 -39.223 -23.347 1.00 0.00 H new ATOM 0 HE2 HIS A 111 3.078 -40.054 -22.178 1.00 0.00 H new ATOM 1858 N GLU A 112 0.516 -34.852 -24.006 1.00 0.00 N ATOM 1859 CA GLU A 112 -0.634 -35.438 -24.688 1.00 0.00 C ATOM 1860 C GLU A 112 -0.645 -35.053 -26.164 1.00 0.00 C ATOM 1861 O GLU A 112 -0.826 -35.905 -27.035 1.00 0.00 O ATOM 1862 CB GLU A 112 -1.928 -34.961 -24.026 1.00 0.00 C ATOM 1863 CG GLU A 112 -3.125 -35.383 -24.881 1.00 0.00 C ATOM 1864 CD GLU A 112 -3.504 -34.258 -25.838 1.00 0.00 C ATOM 1865 OE1 GLU A 112 -3.623 -33.133 -25.383 1.00 0.00 O ATOM 1866 OE2 GLU A 112 -3.670 -34.539 -27.014 1.00 0.00 O ATOM 0 H GLU A 112 0.302 -34.031 -23.440 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.561 -36.523 -24.612 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.015 -35.385 -23.026 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.913 -33.877 -23.913 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -2.881 -36.284 -25.444 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.972 -35.627 -24.240 1.00 0.00 H new ATOM 1873 N ASN A 113 -0.459 -33.767 -26.440 1.00 0.00 N ATOM 1874 CA ASN A 113 -0.457 -33.283 -27.816 1.00 0.00 C ATOM 1875 C ASN A 113 0.626 -33.980 -28.636 1.00 0.00 C ATOM 1876 O ASN A 113 0.386 -34.402 -29.766 1.00 0.00 O ATOM 1877 CB ASN A 113 -0.220 -31.772 -27.836 1.00 0.00 C ATOM 1878 CG ASN A 113 -1.005 -31.106 -26.712 1.00 0.00 C ATOM 1879 OD1 ASN A 113 -1.503 -31.784 -25.815 1.00 0.00 O ATOM 1880 ND2 ASN A 113 -1.145 -29.808 -26.706 1.00 0.00 N ATOM 0 H ASN A 113 -0.309 -33.045 -25.735 1.00 0.00 H new ATOM 0 HA ASN A 113 -1.428 -33.507 -28.258 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.843 -31.561 -27.723 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.526 -31.360 -28.798 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.668 -29.355 -25.957 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.731 -29.247 -27.451 1.00 0.00 H new ATOM 1887 N ILE A 114 1.818 -34.091 -28.060 1.00 0.00 N ATOM 1888 CA ILE A 114 2.933 -34.732 -28.751 1.00 0.00 C ATOM 1889 C ILE A 114 2.615 -36.192 -29.061 1.00 0.00 C ATOM 1890 O ILE A 114 3.055 -36.730 -30.077 1.00 0.00 O ATOM 1891 CB ILE A 114 4.193 -34.656 -27.888 1.00 0.00 C ATOM 1892 CG1 ILE A 114 4.640 -33.196 -27.767 1.00 0.00 C ATOM 1893 CG2 ILE A 114 5.306 -35.477 -28.540 1.00 0.00 C ATOM 1894 CD1 ILE A 114 5.899 -33.116 -26.904 1.00 0.00 C ATOM 0 H ILE A 114 2.037 -33.749 -27.124 1.00 0.00 H new ATOM 0 HA ILE A 114 3.100 -34.205 -29.691 1.00 0.00 H new ATOM 0 HB ILE A 114 3.980 -35.055 -26.896 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.838 -32.782 -28.756 1.00 0.00 H new ATOM 0 HG13 ILE A 114 3.844 -32.597 -27.324 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.205 -35.424 -27.926 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.988 -36.516 -28.628 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.520 -35.078 -29.531 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.216 -32.077 -26.819 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.686 -33.513 -25.912 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.694 -33.701 -27.366 1.00 0.00 H new ATOM 1906 N GLY A 115 1.852 -36.830 -28.179 1.00 0.00 N ATOM 1907 CA GLY A 115 1.487 -38.230 -28.371 1.00 0.00 C ATOM 1908 C GLY A 115 0.763 -38.429 -29.698 1.00 0.00 C ATOM 1909 O GLY A 115 0.691 -39.544 -30.215 1.00 0.00 O ATOM 0 H GLY A 115 1.477 -36.405 -27.331 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.383 -38.850 -28.345 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.848 -38.559 -27.551 1.00 0.00 H new ATOM 1913 N ALA A 116 0.228 -37.342 -30.245 1.00 0.00 N ATOM 1914 CA ALA A 116 -0.491 -37.408 -31.512 1.00 0.00 C ATOM 1915 C ALA A 116 0.445 -37.825 -32.642 1.00 0.00 C ATOM 1916 O ALA A 116 -0.004 -38.192 -33.729 1.00 0.00 O ATOM 1917 CB ALA A 116 -1.105 -36.045 -31.835 1.00 0.00 C ATOM 0 H ALA A 116 0.278 -36.410 -29.833 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.282 -38.152 -31.419 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.640 -36.102 -32.783 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.798 -35.761 -31.043 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.314 -35.298 -31.910 1.00 0.00 H new ATOM 1923 N ALA A 117 1.747 -37.766 -32.381 1.00 0.00 N ATOM 1924 CA ALA A 117 2.735 -38.138 -33.386 1.00 0.00 C ATOM 1925 C ALA A 117 3.320 -39.514 -33.081 1.00 0.00 C ATOM 1926 O ALA A 117 4.349 -39.899 -33.637 1.00 0.00 O ATOM 1927 CB ALA A 117 3.860 -37.102 -33.424 1.00 0.00 C ATOM 0 H ALA A 117 2.140 -37.466 -31.489 1.00 0.00 H new ATOM 0 HA ALA A 117 2.240 -38.172 -34.357 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.593 -37.389 -34.178 1.00 0.00 H new ATOM 0 HB2 ALA A 117 3.446 -36.125 -33.673 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.343 -37.053 -32.448 1.00 0.00 H new ATOM 1933 N GLY A 118 2.657 -40.252 -32.197 1.00 0.00 N ATOM 1934 CA GLY A 118 3.122 -41.584 -31.828 1.00 0.00 C ATOM 1935 C GLY A 118 2.268 -42.168 -30.708 1.00 0.00 C ATOM 1936 O GLY A 118 2.423 -41.802 -29.542 1.00 0.00 O ATOM 0 H GLY A 118 1.803 -39.954 -31.726 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.086 -42.240 -32.698 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.163 -41.535 -31.509 1.00 0.00 H new ATOM 1940 N PHE A 119 1.367 -43.077 -31.069 1.00 0.00 N ATOM 1941 CA PHE A 119 0.494 -43.704 -30.083 1.00 0.00 C ATOM 1942 C PHE A 119 0.055 -45.086 -30.557 1.00 0.00 C ATOM 1943 O PHE A 119 -0.974 -45.229 -31.218 1.00 0.00 O ATOM 1944 CB PHE A 119 -0.739 -42.827 -29.846 1.00 0.00 C ATOM 1945 CG PHE A 119 -1.875 -43.679 -29.331 1.00 0.00 C ATOM 1946 CD1 PHE A 119 -1.629 -44.671 -28.374 1.00 0.00 C ATOM 1947 CD2 PHE A 119 -3.174 -43.476 -29.812 1.00 0.00 C ATOM 1948 CE1 PHE A 119 -2.683 -45.461 -27.899 1.00 0.00 C ATOM 1949 CE2 PHE A 119 -4.228 -44.265 -29.336 1.00 0.00 C ATOM 1950 CZ PHE A 119 -3.982 -45.258 -28.380 1.00 0.00 C ATOM 0 H PHE A 119 1.223 -43.393 -32.028 1.00 0.00 H new ATOM 0 HA PHE A 119 1.048 -43.812 -29.151 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -0.506 -42.041 -29.128 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -1.032 -42.335 -30.774 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.627 -44.827 -28.002 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.363 -42.711 -30.550 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.494 -46.227 -27.162 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -5.230 -44.108 -29.706 1.00 0.00 H new ATOM 0 HZ PHE A 119 -4.795 -45.868 -28.014 1.00 0.00 H new ATOM 1960 N LYS A 120 0.838 -46.103 -30.211 1.00 0.00 N ATOM 1961 CA LYS A 120 0.516 -47.470 -30.605 1.00 0.00 C ATOM 1962 C LYS A 120 0.197 -48.320 -29.379 1.00 0.00 C ATOM 1963 O LYS A 120 -0.934 -48.771 -29.202 1.00 0.00 O ATOM 1964 CB LYS A 120 1.691 -48.086 -31.368 1.00 0.00 C ATOM 1965 CG LYS A 120 1.309 -48.268 -32.840 1.00 0.00 C ATOM 1966 CD LYS A 120 2.338 -49.168 -33.527 1.00 0.00 C ATOM 1967 CE LYS A 120 1.784 -50.591 -33.627 1.00 0.00 C ATOM 1968 NZ LYS A 120 2.913 -51.561 -33.700 1.00 0.00 N ATOM 0 H LYS A 120 1.693 -46.008 -29.663 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.361 -47.445 -31.252 1.00 0.00 H new ATOM 0 HB2 LYS A 120 2.568 -47.444 -31.286 1.00 0.00 H new ATOM 0 HB3 LYS A 120 1.958 -49.047 -30.930 1.00 0.00 H new ATOM 0 HG2 LYS A 120 0.315 -48.709 -32.917 1.00 0.00 H new ATOM 0 HG3 LYS A 120 1.267 -47.299 -33.338 1.00 0.00 H new ATOM 0 HD2 LYS A 120 2.566 -48.784 -34.521 1.00 0.00 H new ATOM 0 HD3 LYS A 120 3.271 -49.168 -32.963 1.00 0.00 H new ATOM 0 HE2 LYS A 120 1.158 -50.810 -32.762 1.00 0.00 H new ATOM 0 HE3 LYS A 120 1.152 -50.685 -34.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 2.536 -52.528 -33.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.493 -51.356 -34.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 3.499 -51.477 -32.845 1.00 0.00 H new ATOM 1982 N MET A 121 1.201 -48.535 -28.534 1.00 0.00 N ATOM 1983 CA MET A 121 1.012 -49.333 -27.327 1.00 0.00 C ATOM 1984 C MET A 121 0.232 -48.545 -26.280 1.00 0.00 C ATOM 1985 O MET A 121 0.488 -47.360 -26.061 1.00 0.00 O ATOM 1986 CB MET A 121 2.371 -49.742 -26.751 1.00 0.00 C ATOM 1987 CG MET A 121 2.964 -50.887 -27.577 1.00 0.00 C ATOM 1988 SD MET A 121 3.345 -52.282 -26.487 1.00 0.00 S ATOM 1989 CE MET A 121 1.817 -53.211 -26.761 1.00 0.00 C ATOM 0 H MET A 121 2.146 -48.172 -28.661 1.00 0.00 H new ATOM 0 HA MET A 121 0.445 -50.226 -27.591 1.00 0.00 H new ATOM 0 HB2 MET A 121 3.050 -48.889 -26.756 1.00 0.00 H new ATOM 0 HB3 MET A 121 2.257 -50.052 -25.712 1.00 0.00 H new ATOM 0 HG2 MET A 121 2.259 -51.196 -28.349 1.00 0.00 H new ATOM 0 HG3 MET A 121 3.868 -50.552 -28.087 1.00 0.00 H new ATOM 0 HE1 MET A 121 1.838 -54.128 -26.173 1.00 0.00 H new ATOM 0 HE2 MET A 121 0.963 -52.605 -26.457 1.00 0.00 H new ATOM 0 HE3 MET A 121 1.727 -53.460 -27.818 1.00 0.00 H new ATOM 1999 N SER A 122 -0.719 -49.212 -25.635 1.00 0.00 N ATOM 2000 CA SER A 122 -1.533 -48.568 -24.609 1.00 0.00 C ATOM 2001 C SER A 122 -0.660 -48.091 -23.453 1.00 0.00 C ATOM 2002 O SER A 122 0.383 -48.679 -23.164 1.00 0.00 O ATOM 2003 CB SER A 122 -2.585 -49.547 -24.088 1.00 0.00 C ATOM 2004 OG SER A 122 -3.811 -49.325 -24.774 1.00 0.00 O ATOM 0 H SER A 122 -0.945 -50.192 -25.803 1.00 0.00 H new ATOM 0 HA SER A 122 -2.029 -47.705 -25.053 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.251 -50.573 -24.239 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.725 -49.412 -23.015 1.00 0.00 H new ATOM 0 HG SER A 122 -4.488 -49.952 -24.444 1.00 0.00 H new ATOM 2010 N PRO A 123 -1.068 -47.040 -22.794 1.00 0.00 N ATOM 2011 CA PRO A 123 -0.322 -46.461 -21.651 1.00 0.00 C ATOM 2012 C PRO A 123 0.381 -47.532 -20.820 1.00 0.00 C ATOM 2013 O PRO A 123 -0.174 -48.611 -20.688 1.00 0.00 O ATOM 2014 CB PRO A 123 -1.413 -45.763 -20.840 1.00 0.00 C ATOM 2015 CG PRO A 123 -2.495 -45.414 -21.820 1.00 0.00 C ATOM 2016 CD PRO A 123 -2.297 -46.285 -23.069 1.00 0.00 C ATOM 2017 OXT PRO A 123 1.462 -47.257 -20.327 1.00 0.00 O ATOM 0 HA PRO A 123 0.476 -45.791 -21.972 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.793 -46.416 -20.054 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -1.025 -44.869 -20.352 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -3.478 -45.591 -21.383 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.448 -44.357 -22.080 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.145 -46.951 -23.228 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.197 -45.676 -23.967 1.00 0.00 H new TER 2025 PRO A 123