USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 850 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 117 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 119 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.8!) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 101 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.23) USER MOD Set 3.1: A 50 SER OG : rot -49:sc= 0.074 USER MOD Set 3.2: A 60 THR OG1 : rot 108:sc= -0.412 USER MOD Set 3.3: A 61 THR OG1 : rot 180:sc= 0.16 USER MOD Set 4.1: A 57 HIS : no HE2:sc= -19.6! C(o=-20!,f=-25!) USER MOD Set 4.2: A 86 TYR OH : rot 165:sc= 0 USER MOD Set 5.1: A 51 SER OG : rot -25:sc= 0.194! USER MOD Set 5.2: A 55 HIS : no HE2:sc= -4.31 K(o=-4.1,f=-11!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0265 X(o=-0.027,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.062) USER MOD Single : A 6 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.46) USER MOD Single : A 7 HIS : no HD1:sc= -0.667 X(o=-0.67,f=-0.35) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.453 X(o=-0.45,f=-0.32) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -1.19 F(o=-2.8!,f=-1.2) USER MOD Single : A 31 GLN : amide:sc= -1.86 K(o=-1.9,f=-6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 100:sc= -0.0477 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 38 SER OG : rot -122:sc= 0.586 USER MOD Single : A 39 THR OG1 : rot 90:sc= 0.911 USER MOD Single : A 40 THR OG1 : rot -112:sc= -3.74! USER MOD Single : A 42 THR OG1 : rot 128:sc= 0.113 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.88! C(o=-1.9!,f=-5.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -168:sc= -9.55! (180deg=-11.3!) USER MOD Single : A 53 THR OG1 : rot -140:sc= -2.49! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -5.6! C(o=-7.3!,f=-5.6!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -5.92! C(o=-5.9!,f=-19!) USER MOD Single : A 82 SER OG : rot -170:sc=-0.00779 USER MOD Single : A 87 THR OG1 : rot 97:sc= -0.156 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.232 X(o=0.23,f=-0.22) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.599 USER MOD Single : A 98 ASN :FLIP amide:sc= -2.26 F(o=-3.4!,f=-2.3) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 29.326 11.390 -1.443 1.00 0.00 N ATOM 2 CA ALA A 1 30.791 11.139 -1.327 1.00 0.00 C ATOM 3 C ALA A 1 31.045 9.770 -0.689 1.00 0.00 C ATOM 4 O ALA A 1 31.568 8.869 -1.315 1.00 0.00 O ATOM 5 CB ALA A 1 31.314 12.256 -0.423 1.00 0.00 C ATOM 0 H1 ALA A 1 29.167 12.322 -1.877 1.00 0.00 H new ATOM 0 H2 ALA A 1 28.893 10.653 -2.036 1.00 0.00 H new ATOM 0 H3 ALA A 1 28.894 11.371 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 1 31.287 11.134 -2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.390 12.141 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 1 31.107 13.223 -0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 1 30.819 12.201 0.547 1.00 0.00 H new ATOM 13 N ARG A 2 30.678 9.608 0.553 1.00 0.00 N ATOM 14 CA ARG A 2 30.898 8.298 1.232 1.00 0.00 C ATOM 15 C ARG A 2 29.555 7.623 1.525 1.00 0.00 C ATOM 16 O ARG A 2 29.193 6.643 0.904 1.00 0.00 O ATOM 17 CB ARG A 2 31.622 8.647 2.533 1.00 0.00 C ATOM 18 CG ARG A 2 32.910 7.828 2.638 1.00 0.00 C ATOM 19 CD ARG A 2 34.040 8.718 3.164 1.00 0.00 C ATOM 20 NE ARG A 2 35.185 8.472 2.243 1.00 0.00 N ATOM 21 CZ ARG A 2 35.885 9.476 1.789 1.00 0.00 C ATOM 22 NH1 ARG A 2 35.437 10.184 0.789 1.00 0.00 N ATOM 23 NH2 ARG A 2 37.032 9.771 2.335 1.00 0.00 N ATOM 0 H ARG A 2 30.235 10.325 1.127 1.00 0.00 H new ATOM 0 HA ARG A 2 31.473 7.603 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 2 31.853 9.712 2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 2 30.977 8.440 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 2 32.760 6.979 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 2 33.176 7.423 1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 2 33.749 9.768 3.160 1.00 0.00 H new ATOM 0 HD3 ARG A 2 34.298 8.462 4.192 1.00 0.00 H new ATOM 0 HE ARG A 2 35.422 7.519 1.967 1.00 0.00 H new ATOM 0 HH11 ARG A 2 34.540 9.953 0.362 1.00 0.00 H new ATOM 0 HH12 ARG A 2 35.984 10.969 0.434 1.00 0.00 H new ATOM 0 HH21 ARG A 2 37.382 9.217 3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 2 37.579 10.555 1.980 1.00 0.00 H new ATOM 37 N ILE A 3 28.813 8.140 2.465 1.00 0.00 N ATOM 38 CA ILE A 3 27.493 7.529 2.797 1.00 0.00 C ATOM 39 C ILE A 3 26.456 7.891 1.728 1.00 0.00 C ATOM 40 O ILE A 3 26.447 8.988 1.206 1.00 0.00 O ATOM 41 CB ILE A 3 27.106 8.135 4.147 1.00 0.00 C ATOM 42 CG1 ILE A 3 28.025 7.578 5.236 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.656 7.774 4.473 1.00 0.00 C ATOM 44 CD1 ILE A 3 28.539 8.725 6.107 1.00 0.00 C ATOM 0 H ILE A 3 29.063 8.960 3.018 1.00 0.00 H new ATOM 0 HA ILE A 3 27.540 6.441 2.836 1.00 0.00 H new ATOM 0 HB ILE A 3 27.209 9.219 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.484 6.856 5.849 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.863 7.048 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.381 8.206 5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 3 25.000 8.168 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.553 6.690 4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.194 8.328 6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.095 9.430 5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.695 9.236 6.571 1.00 0.00 H new ATOM 56 N HIS A 4 25.584 6.977 1.398 1.00 0.00 N ATOM 57 CA HIS A 4 24.550 7.271 0.363 1.00 0.00 C ATOM 58 C HIS A 4 25.211 7.835 -0.899 1.00 0.00 C ATOM 59 O HIS A 4 26.415 7.781 -1.056 1.00 0.00 O ATOM 60 CB HIS A 4 23.636 8.316 1.004 1.00 0.00 C ATOM 61 CG HIS A 4 22.330 7.677 1.389 1.00 0.00 C ATOM 62 ND1 HIS A 4 21.110 8.286 1.145 1.00 0.00 N ATOM 63 CD2 HIS A 4 22.037 6.484 2.005 1.00 0.00 C ATOM 64 CE1 HIS A 4 20.147 7.467 1.608 1.00 0.00 C ATOM 65 NE2 HIS A 4 20.658 6.354 2.142 1.00 0.00 N ATOM 0 H HIS A 4 25.542 6.040 1.799 1.00 0.00 H new ATOM 0 HA HIS A 4 24.000 6.379 0.061 1.00 0.00 H new ATOM 0 HB2 HIS A 4 24.117 8.743 1.884 1.00 0.00 H new ATOM 0 HB3 HIS A 4 23.460 9.136 0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 4 22.766 5.758 2.333 1.00 0.00 H new ATOM 0 HE1 HIS A 4 19.090 7.683 1.554 1.00 0.00 H new ATOM 0 HE2 HIS A 4 20.147 5.576 2.560 1.00 0.00 H new ATOM 73 N HIS A 5 24.434 8.373 -1.800 1.00 0.00 N ATOM 74 CA HIS A 5 25.023 8.937 -3.049 1.00 0.00 C ATOM 75 C HIS A 5 25.902 7.888 -3.736 1.00 0.00 C ATOM 76 O HIS A 5 27.009 7.621 -3.313 1.00 0.00 O ATOM 77 CB HIS A 5 25.868 10.125 -2.588 1.00 0.00 C ATOM 78 CG HIS A 5 25.145 11.406 -2.900 1.00 0.00 C ATOM 79 ND1 HIS A 5 25.101 12.467 -2.008 1.00 0.00 N ATOM 80 CD2 HIS A 5 24.434 11.813 -4.002 1.00 0.00 C ATOM 81 CE1 HIS A 5 24.384 13.450 -2.583 1.00 0.00 C ATOM 82 NE2 HIS A 5 23.954 13.104 -3.799 1.00 0.00 N ATOM 0 H HIS A 5 23.419 8.446 -1.726 1.00 0.00 H new ATOM 0 HA HIS A 5 24.260 9.235 -3.768 1.00 0.00 H new ATOM 0 HB2 HIS A 5 26.060 10.055 -1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 5 26.837 10.111 -3.087 1.00 0.00 H new ATOM 0 HD2 HIS A 5 24.272 11.222 -4.891 1.00 0.00 H new ATOM 0 HE1 HIS A 5 24.181 14.403 -2.117 1.00 0.00 H new ATOM 0 HE2 HIS A 5 23.394 13.665 -4.441 1.00 0.00 H new ATOM 90 N HIS A 6 25.417 7.287 -4.788 1.00 0.00 N ATOM 91 CA HIS A 6 26.228 6.253 -5.493 1.00 0.00 C ATOM 92 C HIS A 6 26.114 6.424 -7.011 1.00 0.00 C ATOM 93 O HIS A 6 27.093 6.648 -7.694 1.00 0.00 O ATOM 94 CB HIS A 6 25.626 4.917 -5.058 1.00 0.00 C ATOM 95 CG HIS A 6 26.728 3.981 -4.648 1.00 0.00 C ATOM 96 ND1 HIS A 6 27.763 4.378 -3.817 1.00 0.00 N ATOM 97 CD2 HIS A 6 26.971 2.663 -4.947 1.00 0.00 C ATOM 98 CE1 HIS A 6 28.575 3.319 -3.645 1.00 0.00 C ATOM 99 NE2 HIS A 6 28.138 2.247 -4.313 1.00 0.00 N ATOM 0 H HIS A 6 24.497 7.466 -5.189 1.00 0.00 H new ATOM 0 HA HIS A 6 27.288 6.325 -5.248 1.00 0.00 H new ATOM 0 HB2 HIS A 6 24.936 5.070 -4.228 1.00 0.00 H new ATOM 0 HB3 HIS A 6 25.050 4.482 -5.875 1.00 0.00 H new ATOM 0 HD2 HIS A 6 26.351 2.044 -5.578 1.00 0.00 H new ATOM 0 HE1 HIS A 6 29.470 3.333 -3.041 1.00 0.00 H new ATOM 0 HE2 HIS A 6 28.568 1.323 -4.350 1.00 0.00 H new ATOM 107 N HIS A 7 24.928 6.316 -7.545 1.00 0.00 N ATOM 108 CA HIS A 7 24.759 6.470 -9.019 1.00 0.00 C ATOM 109 C HIS A 7 23.565 7.379 -9.328 1.00 0.00 C ATOM 110 O HIS A 7 22.656 7.004 -10.042 1.00 0.00 O ATOM 111 CB HIS A 7 24.505 5.054 -9.539 1.00 0.00 C ATOM 112 CG HIS A 7 25.527 4.716 -10.591 1.00 0.00 C ATOM 113 ND1 HIS A 7 25.614 3.455 -11.159 1.00 0.00 N ATOM 114 CD2 HIS A 7 26.508 5.466 -11.190 1.00 0.00 C ATOM 115 CE1 HIS A 7 26.615 3.484 -12.058 1.00 0.00 C ATOM 116 NE2 HIS A 7 27.193 4.687 -12.117 1.00 0.00 N ATOM 0 H HIS A 7 24.070 6.128 -7.026 1.00 0.00 H new ATOM 0 HA HIS A 7 25.631 6.927 -9.487 1.00 0.00 H new ATOM 0 HB2 HIS A 7 24.561 4.338 -8.719 1.00 0.00 H new ATOM 0 HB3 HIS A 7 23.501 4.983 -9.956 1.00 0.00 H new ATOM 0 HD2 HIS A 7 26.717 6.504 -10.974 1.00 0.00 H new ATOM 0 HE1 HIS A 7 26.915 2.638 -12.659 1.00 0.00 H new ATOM 0 HE2 HIS A 7 27.970 4.973 -12.713 1.00 0.00 H new ATOM 124 N HIS A 8 23.563 8.572 -8.798 1.00 0.00 N ATOM 125 CA HIS A 8 22.431 9.506 -9.065 1.00 0.00 C ATOM 126 C HIS A 8 21.116 8.911 -8.550 1.00 0.00 C ATOM 127 O HIS A 8 20.073 9.074 -9.153 1.00 0.00 O ATOM 128 CB HIS A 8 22.394 9.655 -10.586 1.00 0.00 C ATOM 129 CG HIS A 8 22.611 11.098 -10.957 1.00 0.00 C ATOM 130 ND1 HIS A 8 21.588 12.032 -10.923 1.00 0.00 N ATOM 131 CD2 HIS A 8 23.728 11.779 -11.375 1.00 0.00 C ATOM 132 CE1 HIS A 8 22.104 13.213 -11.310 1.00 0.00 C ATOM 133 NE2 HIS A 8 23.406 13.115 -11.597 1.00 0.00 N ATOM 0 H HIS A 8 24.296 8.941 -8.192 1.00 0.00 H new ATOM 0 HA HIS A 8 22.560 10.465 -8.563 1.00 0.00 H new ATOM 0 HB2 HIS A 8 23.164 9.032 -11.041 1.00 0.00 H new ATOM 0 HB3 HIS A 8 21.435 9.310 -10.972 1.00 0.00 H new ATOM 0 HD2 HIS A 8 24.707 11.344 -11.511 1.00 0.00 H new ATOM 0 HE1 HIS A 8 21.535 14.129 -11.380 1.00 0.00 H new ATOM 0 HE2 HIS A 8 24.029 13.859 -11.911 1.00 0.00 H new ATOM 141 N HIS A 9 21.154 8.227 -7.438 1.00 0.00 N ATOM 142 CA HIS A 9 19.903 7.628 -6.886 1.00 0.00 C ATOM 143 C HIS A 9 19.384 6.524 -7.814 1.00 0.00 C ATOM 144 O HIS A 9 20.142 5.877 -8.508 1.00 0.00 O ATOM 145 CB HIS A 9 18.906 8.787 -6.821 1.00 0.00 C ATOM 146 CG HIS A 9 18.126 8.712 -5.538 1.00 0.00 C ATOM 147 ND1 HIS A 9 16.892 9.325 -5.387 1.00 0.00 N ATOM 148 CD2 HIS A 9 18.391 8.103 -4.336 1.00 0.00 C ATOM 149 CE1 HIS A 9 16.464 9.074 -4.136 1.00 0.00 C ATOM 150 NE2 HIS A 9 17.340 8.333 -3.453 1.00 0.00 N ATOM 0 H HIS A 9 21.996 8.057 -6.888 1.00 0.00 H new ATOM 0 HA HIS A 9 20.062 7.169 -5.910 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.435 9.738 -6.881 1.00 0.00 H new ATOM 0 HB3 HIS A 9 18.228 8.744 -7.673 1.00 0.00 H new ATOM 0 HD2 HIS A 9 19.280 7.532 -4.110 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.527 9.429 -3.734 1.00 0.00 H new ATOM 0 HE2 HIS A 9 17.257 8.006 -2.491 1.00 0.00 H new ATOM 158 N ILE A 10 18.096 6.307 -7.831 1.00 0.00 N ATOM 159 CA ILE A 10 17.526 5.246 -8.713 1.00 0.00 C ATOM 160 C ILE A 10 16.086 5.596 -9.097 1.00 0.00 C ATOM 161 O ILE A 10 15.158 5.351 -8.352 1.00 0.00 O ATOM 162 CB ILE A 10 17.562 3.968 -7.874 1.00 0.00 C ATOM 163 CG1 ILE A 10 17.027 2.798 -8.704 1.00 0.00 C ATOM 164 CG2 ILE A 10 16.691 4.148 -6.629 1.00 0.00 C ATOM 165 CD1 ILE A 10 17.772 2.734 -10.038 1.00 0.00 C ATOM 0 H ILE A 10 17.413 6.819 -7.272 1.00 0.00 H new ATOM 0 HA ILE A 10 18.086 5.138 -9.642 1.00 0.00 H new ATOM 0 HB ILE A 10 18.589 3.762 -7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 10 17.156 1.863 -8.159 1.00 0.00 H new ATOM 0 HG13 ILE A 10 15.958 2.921 -8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.717 3.237 -6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 10 17.070 4.981 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.664 4.355 -6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 10 17.391 1.901 -10.628 1.00 0.00 H new ATOM 0 HD12 ILE A 10 17.621 3.665 -10.584 1.00 0.00 H new ATOM 0 HD13 ILE A 10 18.837 2.591 -9.854 1.00 0.00 H new ATOM 177 N GLU A 11 15.893 6.169 -10.254 1.00 0.00 N ATOM 178 CA GLU A 11 14.512 6.536 -10.684 1.00 0.00 C ATOM 179 C GLU A 11 13.975 5.505 -11.680 1.00 0.00 C ATOM 180 O GLU A 11 14.156 5.629 -12.875 1.00 0.00 O ATOM 181 CB GLU A 11 14.654 7.905 -11.352 1.00 0.00 C ATOM 182 CG GLU A 11 15.377 8.863 -10.404 1.00 0.00 C ATOM 183 CD GLU A 11 14.601 8.964 -9.090 1.00 0.00 C ATOM 184 OE1 GLU A 11 13.594 9.653 -9.072 1.00 0.00 O ATOM 185 OE2 GLU A 11 15.027 8.352 -8.125 1.00 0.00 O ATOM 0 H GLU A 11 16.631 6.399 -10.920 1.00 0.00 H new ATOM 0 HA GLU A 11 13.813 6.562 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.210 7.810 -12.284 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.671 8.301 -11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.390 8.508 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.465 9.848 -10.863 1.00 0.00 H new ATOM 192 N GLY A 12 13.315 4.490 -11.196 1.00 0.00 N ATOM 193 CA GLY A 12 12.766 3.451 -12.114 1.00 0.00 C ATOM 194 C GLY A 12 11.764 2.581 -11.354 1.00 0.00 C ATOM 195 O GLY A 12 11.885 1.373 -11.309 1.00 0.00 O ATOM 0 H GLY A 12 13.132 4.334 -10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.280 3.924 -12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.574 2.835 -12.508 1.00 0.00 H new ATOM 199 N ARG A 13 10.777 3.187 -10.754 1.00 0.00 N ATOM 200 CA ARG A 13 9.767 2.398 -9.993 1.00 0.00 C ATOM 201 C ARG A 13 8.362 2.676 -10.531 1.00 0.00 C ATOM 202 O ARG A 13 8.098 3.721 -11.094 1.00 0.00 O ATOM 203 CB ARG A 13 9.891 2.888 -8.551 1.00 0.00 C ATOM 204 CG ARG A 13 10.443 1.765 -7.672 1.00 0.00 C ATOM 205 CD ARG A 13 10.814 2.329 -6.300 1.00 0.00 C ATOM 206 NE ARG A 13 9.577 2.197 -5.483 1.00 0.00 N ATOM 207 CZ ARG A 13 9.489 2.801 -4.330 1.00 0.00 C ATOM 208 NH1 ARG A 13 9.129 4.054 -4.274 1.00 0.00 N ATOM 209 NH2 ARG A 13 9.762 2.151 -3.232 1.00 0.00 N ATOM 0 H ARG A 13 10.626 4.196 -10.758 1.00 0.00 H new ATOM 0 HA ARG A 13 9.933 1.324 -10.078 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.550 3.755 -8.507 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.917 3.208 -8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.700 0.975 -7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.319 1.317 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.641 1.775 -5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.130 3.370 -6.373 1.00 0.00 H new ATOM 0 HE ARG A 13 8.798 1.634 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.916 4.562 -5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.061 4.525 -3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.044 1.172 -3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.694 2.622 -2.330 1.00 0.00 H new ATOM 223 N ALA A 14 7.457 1.753 -10.359 1.00 0.00 N ATOM 224 CA ALA A 14 6.069 1.971 -10.857 1.00 0.00 C ATOM 225 C ALA A 14 5.418 3.125 -10.090 1.00 0.00 C ATOM 226 O ALA A 14 4.996 4.101 -10.678 1.00 0.00 O ATOM 227 CB ALA A 14 5.336 0.659 -10.578 1.00 0.00 C ATOM 0 H ALA A 14 7.618 0.858 -9.896 1.00 0.00 H new ATOM 0 HA ALA A 14 6.042 2.232 -11.915 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.303 0.740 -10.918 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.830 -0.154 -11.110 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.351 0.454 -9.507 1.00 0.00 H new ATOM 233 N PRO A 15 5.367 2.973 -8.795 1.00 0.00 N ATOM 234 CA PRO A 15 4.770 4.018 -7.929 1.00 0.00 C ATOM 235 C PRO A 15 5.718 5.215 -7.816 1.00 0.00 C ATOM 236 O PRO A 15 6.853 5.081 -7.402 1.00 0.00 O ATOM 237 CB PRO A 15 4.614 3.321 -6.582 1.00 0.00 C ATOM 238 CG PRO A 15 5.641 2.232 -6.586 1.00 0.00 C ATOM 239 CD PRO A 15 5.854 1.825 -8.022 1.00 0.00 C ATOM 0 HA PRO A 15 3.827 4.408 -8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.778 4.015 -5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.609 2.915 -6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.574 2.581 -6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.304 1.383 -5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.905 1.623 -8.227 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.302 0.917 -8.265 1.00 0.00 H new ATOM 247 N THR A 16 5.265 6.382 -8.180 1.00 0.00 N ATOM 248 CA THR A 16 6.145 7.583 -8.091 1.00 0.00 C ATOM 249 C THR A 16 6.354 7.980 -6.627 1.00 0.00 C ATOM 250 O THR A 16 7.381 8.516 -6.260 1.00 0.00 O ATOM 251 CB THR A 16 5.394 8.684 -8.841 1.00 0.00 C ATOM 252 OG1 THR A 16 6.167 9.876 -8.826 1.00 0.00 O ATOM 253 CG2 THR A 16 4.048 8.939 -8.160 1.00 0.00 C ATOM 0 H THR A 16 4.325 6.557 -8.535 1.00 0.00 H new ATOM 0 HA THR A 16 7.132 7.401 -8.515 1.00 0.00 H new ATOM 0 HB THR A 16 5.225 8.373 -9.872 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.688 10.583 -9.308 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.513 9.724 -8.695 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.456 8.024 -8.170 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.215 9.251 -7.129 1.00 0.00 H new ATOM 261 N GLU A 17 5.385 7.729 -5.789 1.00 0.00 N ATOM 262 CA GLU A 17 5.526 8.099 -4.357 1.00 0.00 C ATOM 263 C GLU A 17 6.718 7.368 -3.731 1.00 0.00 C ATOM 264 O GLU A 17 6.683 6.172 -3.518 1.00 0.00 O ATOM 265 CB GLU A 17 4.218 7.653 -3.704 1.00 0.00 C ATOM 266 CG GLU A 17 3.037 8.296 -4.434 1.00 0.00 C ATOM 267 CD GLU A 17 2.201 9.106 -3.441 1.00 0.00 C ATOM 268 OE1 GLU A 17 2.791 9.797 -2.626 1.00 0.00 O ATOM 269 OE2 GLU A 17 0.986 9.022 -3.511 1.00 0.00 O ATOM 0 H GLU A 17 4.502 7.283 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 17 5.707 9.165 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.133 6.567 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.208 7.939 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.399 8.943 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.422 7.527 -4.900 1.00 0.00 H new ATOM 276 N GLN A 18 7.775 8.077 -3.441 1.00 0.00 N ATOM 277 CA GLN A 18 8.969 7.431 -2.837 1.00 0.00 C ATOM 278 C GLN A 18 8.633 6.869 -1.451 1.00 0.00 C ATOM 279 O GLN A 18 8.575 5.672 -1.252 1.00 0.00 O ATOM 280 CB GLN A 18 10.008 8.547 -2.726 1.00 0.00 C ATOM 281 CG GLN A 18 11.388 8.008 -3.110 1.00 0.00 C ATOM 282 CD GLN A 18 12.201 9.120 -3.774 1.00 0.00 C ATOM 283 OE1 GLN A 18 12.762 9.962 -3.102 1.00 0.00 O ATOM 284 NE2 GLN A 18 12.289 9.161 -5.076 1.00 0.00 N ATOM 0 H GLN A 18 7.861 9.081 -3.598 1.00 0.00 H new ATOM 0 HA GLN A 18 9.329 6.594 -3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.736 9.376 -3.379 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.030 8.937 -1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.907 7.642 -2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.284 7.163 -3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.818 8.454 -5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.828 9.900 -5.528 1.00 0.00 H new ATOM 293 N SER A 19 8.419 7.727 -0.489 1.00 0.00 N ATOM 294 CA SER A 19 8.094 7.247 0.886 1.00 0.00 C ATOM 295 C SER A 19 6.644 6.752 0.956 1.00 0.00 C ATOM 296 O SER A 19 5.734 7.437 0.532 1.00 0.00 O ATOM 297 CB SER A 19 8.281 8.469 1.785 1.00 0.00 C ATOM 298 OG SER A 19 7.560 8.274 2.995 1.00 0.00 O ATOM 0 H SER A 19 8.455 8.741 -0.596 1.00 0.00 H new ATOM 0 HA SER A 19 8.727 6.412 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.339 8.620 1.998 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.927 9.366 1.277 1.00 0.00 H new ATOM 0 HG SER A 19 7.678 9.055 3.576 1.00 0.00 H new ATOM 304 N PRO A 20 6.480 5.574 1.497 1.00 0.00 N ATOM 305 CA PRO A 20 5.128 4.981 1.633 1.00 0.00 C ATOM 306 C PRO A 20 4.375 5.629 2.801 1.00 0.00 C ATOM 307 O PRO A 20 4.955 5.970 3.813 1.00 0.00 O ATOM 308 CB PRO A 20 5.411 3.509 1.918 1.00 0.00 C ATOM 309 CG PRO A 20 6.781 3.479 2.522 1.00 0.00 C ATOM 310 CD PRO A 20 7.527 4.693 2.025 1.00 0.00 C ATOM 0 HA PRO A 20 4.504 5.127 0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.671 3.091 2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.371 2.917 1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.720 3.487 3.610 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.304 2.566 2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.083 5.174 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.249 4.427 1.253 1.00 0.00 H new ATOM 318 N GLY A 21 3.087 5.801 2.669 1.00 0.00 N ATOM 319 CA GLY A 21 2.302 6.426 3.772 1.00 0.00 C ATOM 320 C GLY A 21 1.650 7.716 3.270 1.00 0.00 C ATOM 321 O GLY A 21 1.459 8.657 4.015 1.00 0.00 O ATOM 0 H GLY A 21 2.545 5.536 1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.538 5.734 4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.953 6.641 4.619 1.00 0.00 H new ATOM 325 N VAL A 22 1.310 7.769 2.011 1.00 0.00 N ATOM 326 CA VAL A 22 0.672 9.000 1.462 1.00 0.00 C ATOM 327 C VAL A 22 -0.564 8.634 0.634 1.00 0.00 C ATOM 328 O VAL A 22 -0.559 7.678 -0.115 1.00 0.00 O ATOM 329 CB VAL A 22 1.739 9.642 0.576 1.00 0.00 C ATOM 330 CG1 VAL A 22 1.148 10.866 -0.125 1.00 0.00 C ATOM 331 CG2 VAL A 22 2.926 10.073 1.440 1.00 0.00 C ATOM 0 H VAL A 22 1.446 7.014 1.339 1.00 0.00 H new ATOM 0 HA VAL A 22 0.338 9.675 2.250 1.00 0.00 H new ATOM 0 HB VAL A 22 2.075 8.922 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.908 11.325 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.301 10.560 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.813 11.586 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.688 10.531 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.591 10.794 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.346 9.201 1.942 1.00 0.00 H new ATOM 341 N GLN A 23 -1.622 9.387 0.765 1.00 0.00 N ATOM 342 CA GLN A 23 -2.860 9.084 -0.013 1.00 0.00 C ATOM 343 C GLN A 23 -3.458 7.753 0.448 1.00 0.00 C ATOM 344 O GLN A 23 -3.530 6.799 -0.301 1.00 0.00 O ATOM 345 CB GLN A 23 -2.409 8.996 -1.473 1.00 0.00 C ATOM 346 CG GLN A 23 -2.993 10.170 -2.262 1.00 0.00 C ATOM 347 CD GLN A 23 -2.229 10.329 -3.578 1.00 0.00 C ATOM 348 OE1 GLN A 23 -1.928 11.432 -3.990 1.00 0.00 O ATOM 349 NE2 GLN A 23 -1.901 9.266 -4.260 1.00 0.00 N ATOM 0 H GLN A 23 -1.684 10.200 1.378 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.629 9.844 0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.321 9.012 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.737 8.052 -1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.051 9.998 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.924 11.086 -1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.154 8.340 -3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.392 9.361 -5.139 1.00 0.00 H new ATOM 358 N ASP A 24 -3.887 7.683 1.678 1.00 0.00 N ATOM 359 CA ASP A 24 -4.478 6.417 2.193 1.00 0.00 C ATOM 360 C ASP A 24 -5.898 6.234 1.652 1.00 0.00 C ATOM 361 O ASP A 24 -6.866 6.316 2.382 1.00 0.00 O ATOM 362 CB ASP A 24 -4.501 6.582 3.713 1.00 0.00 C ATOM 363 CG ASP A 24 -3.137 7.081 4.195 1.00 0.00 C ATOM 364 OD1 ASP A 24 -2.756 8.173 3.807 1.00 0.00 O ATOM 365 OD2 ASP A 24 -2.496 6.362 4.944 1.00 0.00 O ATOM 0 H ASP A 24 -3.853 8.450 2.350 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.908 5.541 1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.280 7.288 4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.741 5.631 4.189 1.00 0.00 H new ATOM 370 N CYS A 25 -6.032 5.975 0.379 1.00 0.00 N ATOM 371 CA CYS A 25 -7.394 5.775 -0.197 1.00 0.00 C ATOM 372 C CYS A 25 -7.314 5.024 -1.532 1.00 0.00 C ATOM 373 O CYS A 25 -6.249 4.639 -1.973 1.00 0.00 O ATOM 374 CB CYS A 25 -7.975 7.183 -0.389 1.00 0.00 C ATOM 375 SG CYS A 25 -7.272 7.961 -1.870 1.00 0.00 S ATOM 0 H CYS A 25 -5.262 5.893 -0.285 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.024 5.172 0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -9.060 7.126 -0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.760 7.794 0.487 1.00 0.00 H new ATOM 380 N TYR A 26 -8.430 4.822 -2.185 1.00 0.00 N ATOM 381 CA TYR A 26 -8.403 4.106 -3.495 1.00 0.00 C ATOM 382 C TYR A 26 -9.427 4.716 -4.454 1.00 0.00 C ATOM 383 O TYR A 26 -10.403 5.309 -4.040 1.00 0.00 O ATOM 384 CB TYR A 26 -8.743 2.642 -3.177 1.00 0.00 C ATOM 385 CG TYR A 26 -10.213 2.492 -2.835 1.00 0.00 C ATOM 386 CD1 TYR A 26 -11.191 2.678 -3.821 1.00 0.00 C ATOM 387 CD2 TYR A 26 -10.596 2.150 -1.532 1.00 0.00 C ATOM 388 CE1 TYR A 26 -12.545 2.525 -3.503 1.00 0.00 C ATOM 389 CE2 TYR A 26 -11.950 1.998 -1.215 1.00 0.00 C ATOM 390 CZ TYR A 26 -12.925 2.185 -2.201 1.00 0.00 C ATOM 391 OH TYR A 26 -14.261 2.034 -1.888 1.00 0.00 O ATOM 0 H TYR A 26 -9.353 5.120 -1.870 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.432 4.186 -3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.498 2.013 -4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.134 2.296 -2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.899 2.940 -4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -9.844 2.003 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.297 2.670 -4.264 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.243 1.736 -0.209 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.350 1.796 -0.942 1.00 0.00 H new ATOM 401 N HIS A 27 -9.211 4.578 -5.733 1.00 0.00 N ATOM 402 CA HIS A 27 -10.172 5.154 -6.716 1.00 0.00 C ATOM 403 C HIS A 27 -11.058 4.053 -7.305 1.00 0.00 C ATOM 404 O HIS A 27 -10.581 3.027 -7.746 1.00 0.00 O ATOM 405 CB HIS A 27 -9.296 5.776 -7.802 1.00 0.00 C ATOM 406 CG HIS A 27 -10.162 6.223 -8.946 1.00 0.00 C ATOM 407 ND1 HIS A 27 -11.053 5.546 -9.741 1.00 0.00 N flip ATOM 408 CD2 HIS A 27 -10.172 7.533 -9.396 1.00 0.00 C flip ATOM 409 CE1 HIS A 27 -11.608 6.421 -10.671 1.00 0.00 C flip ATOM 410 NE2 HIS A 27 -11.043 7.604 -10.418 1.00 0.00 N flip ATOM 0 H HIS A 27 -8.412 4.092 -6.140 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.841 5.884 -6.260 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.743 6.624 -7.397 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.560 5.052 -8.150 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.587 8.349 -8.998 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.338 6.192 -11.433 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.247 8.458 -10.937 1.00 0.00 H new ATOM 418 N GLY A 28 -12.347 4.261 -7.316 1.00 0.00 N ATOM 419 CA GLY A 28 -13.263 3.229 -7.876 1.00 0.00 C ATOM 420 C GLY A 28 -13.397 2.073 -6.885 1.00 0.00 C ATOM 421 O GLY A 28 -14.339 2.005 -6.120 1.00 0.00 O ATOM 0 H GLY A 28 -12.804 5.101 -6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.241 3.666 -8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.877 2.863 -8.828 1.00 0.00 H new ATOM 425 N ASP A 29 -12.463 1.162 -6.892 1.00 0.00 N ATOM 426 CA ASP A 29 -12.536 0.008 -5.950 1.00 0.00 C ATOM 427 C ASP A 29 -11.143 -0.399 -5.500 1.00 0.00 C ATOM 428 O ASP A 29 -10.948 -1.452 -4.926 1.00 0.00 O ATOM 429 CB ASP A 29 -13.193 -1.117 -6.750 1.00 0.00 C ATOM 430 CG ASP A 29 -14.702 -1.109 -6.501 1.00 0.00 C ATOM 431 OD1 ASP A 29 -15.399 -0.416 -7.225 1.00 0.00 O ATOM 432 OD2 ASP A 29 -15.136 -1.796 -5.591 1.00 0.00 O ATOM 0 H ASP A 29 -11.651 1.166 -7.510 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.099 0.249 -5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.989 -0.988 -7.813 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.771 -2.079 -6.458 1.00 0.00 H new ATOM 437 N GLY A 30 -10.163 0.409 -5.781 1.00 0.00 N ATOM 438 CA GLY A 30 -8.779 0.039 -5.396 1.00 0.00 C ATOM 439 C GLY A 30 -8.290 -1.055 -6.345 1.00 0.00 C ATOM 440 O GLY A 30 -7.135 -1.431 -6.333 1.00 0.00 O ATOM 0 H GLY A 30 -10.261 1.305 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.125 0.909 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.754 -0.314 -4.365 1.00 0.00 H new ATOM 444 N GLN A 31 -9.165 -1.570 -7.175 1.00 0.00 N ATOM 445 CA GLN A 31 -8.746 -2.635 -8.128 1.00 0.00 C ATOM 446 C GLN A 31 -7.432 -2.241 -8.807 1.00 0.00 C ATOM 447 O GLN A 31 -7.342 -1.224 -9.464 1.00 0.00 O ATOM 448 CB GLN A 31 -9.876 -2.714 -9.155 1.00 0.00 C ATOM 449 CG GLN A 31 -9.808 -4.052 -9.892 1.00 0.00 C ATOM 450 CD GLN A 31 -8.843 -3.935 -11.073 1.00 0.00 C ATOM 451 OE1 GLN A 31 -8.487 -2.846 -11.475 1.00 0.00 O ATOM 452 NE2 GLN A 31 -8.402 -5.019 -11.650 1.00 0.00 N ATOM 0 H GLN A 31 -10.146 -1.298 -7.231 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.578 -3.592 -7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.840 -2.610 -8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.793 -1.892 -9.865 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.475 -4.837 -9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.799 -4.336 -10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.701 -5.934 -11.313 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.758 -4.951 -12.438 1.00 0.00 H new ATOM 461 N SER A 32 -6.413 -3.041 -8.654 1.00 0.00 N ATOM 462 CA SER A 32 -5.103 -2.715 -9.291 1.00 0.00 C ATOM 463 C SER A 32 -4.478 -1.482 -8.634 1.00 0.00 C ATOM 464 O SER A 32 -3.589 -0.863 -9.184 1.00 0.00 O ATOM 465 CB SER A 32 -5.431 -2.431 -10.756 1.00 0.00 C ATOM 466 OG SER A 32 -4.285 -2.697 -11.553 1.00 0.00 O ATOM 0 H SER A 32 -6.430 -3.907 -8.115 1.00 0.00 H new ATOM 0 HA SER A 32 -4.384 -3.527 -9.183 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.266 -3.052 -11.081 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.740 -1.393 -10.877 1.00 0.00 H new ATOM 0 HG SER A 32 -4.492 -2.517 -12.494 1.00 0.00 H new ATOM 472 N TYR A 33 -4.932 -1.124 -7.462 1.00 0.00 N ATOM 473 CA TYR A 33 -4.360 0.065 -6.765 1.00 0.00 C ATOM 474 C TYR A 33 -2.839 0.102 -6.951 1.00 0.00 C ATOM 475 O TYR A 33 -2.103 -0.595 -6.281 1.00 0.00 O ATOM 476 CB TYR A 33 -4.724 -0.142 -5.296 1.00 0.00 C ATOM 477 CG TYR A 33 -3.970 0.845 -4.441 1.00 0.00 C ATOM 478 CD1 TYR A 33 -4.355 2.190 -4.421 1.00 0.00 C ATOM 479 CD2 TYR A 33 -2.890 0.413 -3.665 1.00 0.00 C ATOM 480 CE1 TYR A 33 -3.658 3.105 -3.625 1.00 0.00 C ATOM 481 CE2 TYR A 33 -2.193 1.328 -2.869 1.00 0.00 C ATOM 482 CZ TYR A 33 -2.577 2.674 -2.848 1.00 0.00 C ATOM 483 OH TYR A 33 -1.889 3.575 -2.061 1.00 0.00 O ATOM 0 H TYR A 33 -5.676 -1.605 -6.956 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.745 1.008 -7.153 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.797 -0.014 -5.156 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.482 -1.160 -4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.190 2.522 -5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.594 -0.626 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.954 4.144 -3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.358 0.996 -2.270 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.195 3.499 -1.133 1.00 0.00 H new ATOM 493 N ARG A 34 -2.367 0.903 -7.870 1.00 0.00 N ATOM 494 CA ARG A 34 -0.896 0.979 -8.120 1.00 0.00 C ATOM 495 C ARG A 34 -0.146 1.426 -6.860 1.00 0.00 C ATOM 496 O ARG A 34 0.969 1.011 -6.614 1.00 0.00 O ATOM 497 CB ARG A 34 -0.735 2.015 -9.234 1.00 0.00 C ATOM 498 CG ARG A 34 -1.294 3.363 -8.773 1.00 0.00 C ATOM 499 CD ARG A 34 -0.153 4.238 -8.248 1.00 0.00 C ATOM 500 NE ARG A 34 -0.020 5.333 -9.249 1.00 0.00 N ATOM 501 CZ ARG A 34 0.718 6.375 -8.983 1.00 0.00 C ATOM 502 NH1 ARG A 34 0.439 7.126 -7.953 1.00 0.00 N ATOM 503 NH2 ARG A 34 1.734 6.668 -9.748 1.00 0.00 N ATOM 0 H ARG A 34 -2.937 1.509 -8.460 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.484 0.009 -8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.318 2.118 -9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.257 1.682 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.797 3.862 -9.601 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.039 3.212 -7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.381 4.633 -7.258 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.773 3.669 -8.159 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.506 5.268 -10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.356 6.898 -7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.016 7.941 -7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.951 6.082 -10.554 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.311 7.483 -9.540 1.00 0.00 H new ATOM 517 N GLY A 35 -0.741 2.270 -6.063 1.00 0.00 N ATOM 518 CA GLY A 35 -0.050 2.739 -4.828 1.00 0.00 C ATOM 519 C GLY A 35 0.531 1.539 -4.076 1.00 0.00 C ATOM 520 O GLY A 35 0.098 0.417 -4.248 1.00 0.00 O ATOM 0 H GLY A 35 -1.674 2.655 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.745 3.438 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.751 3.276 -4.189 1.00 0.00 H new ATOM 524 N SER A 36 1.510 1.766 -3.241 1.00 0.00 N ATOM 525 CA SER A 36 2.118 0.638 -2.475 1.00 0.00 C ATOM 526 C SER A 36 1.907 0.849 -0.975 1.00 0.00 C ATOM 527 O SER A 36 2.830 1.141 -0.241 1.00 0.00 O ATOM 528 CB SER A 36 3.607 0.684 -2.817 1.00 0.00 C ATOM 529 OG SER A 36 3.954 1.999 -3.231 1.00 0.00 O ATOM 0 H SER A 36 1.915 2.684 -3.056 1.00 0.00 H new ATOM 0 HA SER A 36 1.672 -0.323 -2.729 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.200 0.395 -1.949 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.832 -0.030 -3.609 1.00 0.00 H new ATOM 0 HG SER A 36 4.909 2.032 -3.449 1.00 0.00 H new ATOM 535 N PHE A 37 0.695 0.703 -0.515 1.00 0.00 N ATOM 536 CA PHE A 37 0.421 0.894 0.936 1.00 0.00 C ATOM 537 C PHE A 37 0.572 -0.431 1.681 1.00 0.00 C ATOM 538 O PHE A 37 -0.373 -1.178 1.838 1.00 0.00 O ATOM 539 CB PHE A 37 -1.024 1.390 1.011 1.00 0.00 C ATOM 540 CG PHE A 37 -1.214 2.218 2.264 1.00 0.00 C ATOM 541 CD1 PHE A 37 -0.317 2.095 3.333 1.00 0.00 C ATOM 542 CD2 PHE A 37 -2.290 3.108 2.354 1.00 0.00 C ATOM 543 CE1 PHE A 37 -0.496 2.861 4.490 1.00 0.00 C ATOM 544 CE2 PHE A 37 -2.469 3.874 3.512 1.00 0.00 C ATOM 545 CZ PHE A 37 -1.572 3.751 4.580 1.00 0.00 C ATOM 0 H PHE A 37 -0.117 0.460 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 37 1.115 1.598 1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.260 1.987 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.710 0.543 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.514 1.408 3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.982 3.204 1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.196 2.765 5.314 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.300 4.561 3.582 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.711 4.343 5.473 1.00 0.00 H new ATOM 555 N SER A 38 1.752 -0.729 2.143 1.00 0.00 N ATOM 556 CA SER A 38 1.969 -2.005 2.880 1.00 0.00 C ATOM 557 C SER A 38 1.415 -1.923 4.313 1.00 0.00 C ATOM 558 O SER A 38 1.977 -2.489 5.230 1.00 0.00 O ATOM 559 CB SER A 38 3.489 -2.190 2.903 1.00 0.00 C ATOM 560 OG SER A 38 4.119 -1.051 2.330 1.00 0.00 O ATOM 0 H SER A 38 2.580 -0.142 2.042 1.00 0.00 H new ATOM 0 HA SER A 38 1.455 -2.839 2.403 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.832 -2.331 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.764 -3.087 2.349 1.00 0.00 H new ATOM 0 HG SER A 38 4.671 -1.330 1.570 1.00 0.00 H new ATOM 566 N THR A 39 0.316 -1.244 4.521 1.00 0.00 N ATOM 567 CA THR A 39 -0.255 -1.162 5.895 1.00 0.00 C ATOM 568 C THR A 39 -1.706 -1.653 5.880 1.00 0.00 C ATOM 569 O THR A 39 -2.384 -1.578 4.874 1.00 0.00 O ATOM 570 CB THR A 39 -0.184 0.317 6.276 1.00 0.00 C ATOM 571 OG1 THR A 39 1.006 0.883 5.742 1.00 0.00 O ATOM 572 CG2 THR A 39 -0.176 0.453 7.799 1.00 0.00 C ATOM 0 H THR A 39 -0.207 -0.746 3.801 1.00 0.00 H new ATOM 0 HA THR A 39 0.287 -1.782 6.610 1.00 0.00 H new ATOM 0 HB THR A 39 -1.051 0.840 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.829 1.226 4.841 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.125 1.508 8.070 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.087 0.017 8.208 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.690 -0.068 8.206 1.00 0.00 H new ATOM 580 N THR A 40 -2.185 -2.166 6.979 1.00 0.00 N ATOM 581 CA THR A 40 -3.589 -2.672 7.012 1.00 0.00 C ATOM 582 C THR A 40 -4.559 -1.556 7.406 1.00 0.00 C ATOM 583 O THR A 40 -4.161 -0.453 7.726 1.00 0.00 O ATOM 584 CB THR A 40 -3.588 -3.775 8.071 1.00 0.00 C ATOM 585 OG1 THR A 40 -2.654 -3.447 9.090 1.00 0.00 O ATOM 586 CG2 THR A 40 -3.200 -5.108 7.430 1.00 0.00 C ATOM 0 H THR A 40 -1.668 -2.257 7.854 1.00 0.00 H new ATOM 0 HA THR A 40 -3.912 -3.037 6.037 1.00 0.00 H new ATOM 0 HB THR A 40 -4.585 -3.863 8.503 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.904 -4.078 9.062 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.201 -5.890 8.189 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.918 -5.359 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.204 -5.026 6.994 1.00 0.00 H new ATOM 594 N VAL A 41 -5.832 -1.841 7.383 1.00 0.00 N ATOM 595 CA VAL A 41 -6.841 -0.810 7.754 1.00 0.00 C ATOM 596 C VAL A 41 -6.733 -0.475 9.246 1.00 0.00 C ATOM 597 O VAL A 41 -6.901 0.658 9.650 1.00 0.00 O ATOM 598 CB VAL A 41 -8.193 -1.457 7.436 1.00 0.00 C ATOM 599 CG1 VAL A 41 -9.305 -0.747 8.212 1.00 0.00 C ATOM 600 CG2 VAL A 41 -8.469 -1.338 5.937 1.00 0.00 C ATOM 0 H VAL A 41 -6.218 -2.748 7.122 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.700 0.126 7.214 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.166 -2.507 7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.264 -1.212 7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.111 -0.827 9.282 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.334 0.305 7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.430 -1.797 5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.492 -0.286 5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.681 -1.846 5.381 1.00 0.00 H new ATOM 610 N THR A 42 -6.456 -1.452 10.065 1.00 0.00 N ATOM 611 CA THR A 42 -6.340 -1.184 11.528 1.00 0.00 C ATOM 612 C THR A 42 -5.021 -0.468 11.831 1.00 0.00 C ATOM 613 O THR A 42 -4.760 -0.075 12.951 1.00 0.00 O ATOM 614 CB THR A 42 -6.369 -2.563 12.188 1.00 0.00 C ATOM 615 OG1 THR A 42 -7.684 -3.095 12.112 1.00 0.00 O ATOM 616 CG2 THR A 42 -5.951 -2.438 13.653 1.00 0.00 C ATOM 0 H THR A 42 -6.305 -2.422 9.787 1.00 0.00 H new ATOM 0 HA THR A 42 -7.140 -0.542 11.895 1.00 0.00 H new ATOM 0 HB THR A 42 -5.677 -3.228 11.671 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.652 -3.992 11.720 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.972 -3.421 14.123 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.942 -2.030 13.710 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.641 -1.773 14.173 1.00 0.00 H new ATOM 624 N GLY A 43 -4.187 -0.293 10.843 1.00 0.00 N ATOM 625 CA GLY A 43 -2.890 0.401 11.080 1.00 0.00 C ATOM 626 C GLY A 43 -1.778 -0.633 11.266 1.00 0.00 C ATOM 627 O GLY A 43 -0.616 -0.296 11.365 1.00 0.00 O ATOM 0 H GLY A 43 -4.347 -0.600 9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.656 1.053 10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.962 1.035 11.964 1.00 0.00 H new ATOM 631 N ARG A 44 -2.124 -1.891 11.314 1.00 0.00 N ATOM 632 CA ARG A 44 -1.081 -2.942 11.492 1.00 0.00 C ATOM 633 C ARG A 44 -0.240 -3.070 10.224 1.00 0.00 C ATOM 634 O ARG A 44 -0.259 -2.214 9.362 1.00 0.00 O ATOM 635 CB ARG A 44 -1.857 -4.234 11.750 1.00 0.00 C ATOM 636 CG ARG A 44 -1.318 -4.909 13.013 1.00 0.00 C ATOM 637 CD ARG A 44 -1.290 -6.426 12.810 1.00 0.00 C ATOM 638 NE ARG A 44 -2.712 -6.810 12.587 1.00 0.00 N ATOM 639 CZ ARG A 44 -3.574 -6.711 13.561 1.00 0.00 C ATOM 640 NH1 ARG A 44 -3.276 -7.171 14.746 1.00 0.00 N ATOM 641 NH2 ARG A 44 -4.734 -6.151 13.351 1.00 0.00 N ATOM 0 H ARG A 44 -3.081 -2.236 11.238 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.396 -2.708 12.307 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.919 -4.016 11.866 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.761 -4.905 10.897 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.316 -4.543 13.234 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.945 -4.658 13.868 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.669 -6.699 11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.876 -6.933 13.681 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.011 -7.150 11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.369 -7.608 14.910 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.950 -7.093 15.508 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.966 -5.791 12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.408 -6.073 14.112 1.00 0.00 H new ATOM 655 N THR A 45 0.494 -4.137 10.104 1.00 0.00 N ATOM 656 CA THR A 45 1.338 -4.329 8.891 1.00 0.00 C ATOM 657 C THR A 45 1.009 -5.671 8.241 1.00 0.00 C ATOM 658 O THR A 45 1.054 -6.705 8.876 1.00 0.00 O ATOM 659 CB THR A 45 2.780 -4.315 9.399 1.00 0.00 C ATOM 660 OG1 THR A 45 3.103 -3.015 9.869 1.00 0.00 O ATOM 661 CG2 THR A 45 3.728 -4.698 8.261 1.00 0.00 C ATOM 0 H THR A 45 0.548 -4.887 10.793 1.00 0.00 H new ATOM 0 HA THR A 45 1.170 -3.557 8.140 1.00 0.00 H new ATOM 0 HB THR A 45 2.885 -5.032 10.213 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.027 -3.006 10.196 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.756 -4.688 8.624 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.480 -5.697 7.902 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.625 -3.983 7.445 1.00 0.00 H new ATOM 669 N CYS A 46 0.670 -5.667 6.982 1.00 0.00 N ATOM 670 CA CYS A 46 0.333 -6.947 6.313 1.00 0.00 C ATOM 671 C CYS A 46 1.589 -7.801 6.153 1.00 0.00 C ATOM 672 O CYS A 46 2.698 -7.305 6.194 1.00 0.00 O ATOM 673 CB CYS A 46 -0.232 -6.579 4.938 1.00 0.00 C ATOM 674 SG CYS A 46 -1.374 -5.181 5.080 1.00 0.00 S ATOM 0 H CYS A 46 0.613 -4.836 6.393 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.386 -7.522 6.896 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.582 -6.325 4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.749 -7.437 4.508 1.00 0.00 H new ATOM 679 N GLN A 47 1.427 -9.079 5.965 1.00 0.00 N ATOM 680 CA GLN A 47 2.615 -9.959 5.796 1.00 0.00 C ATOM 681 C GLN A 47 2.983 -10.082 4.313 1.00 0.00 C ATOM 682 O GLN A 47 2.123 -10.143 3.458 1.00 0.00 O ATOM 683 CB GLN A 47 2.182 -11.316 6.349 1.00 0.00 C ATOM 684 CG GLN A 47 3.216 -12.376 5.975 1.00 0.00 C ATOM 685 CD GLN A 47 4.482 -12.174 6.809 1.00 0.00 C ATOM 686 OE1 GLN A 47 4.408 -11.886 7.987 1.00 0.00 O ATOM 687 NE2 GLN A 47 5.651 -12.315 6.245 1.00 0.00 N ATOM 0 H GLN A 47 0.525 -9.552 5.921 1.00 0.00 H new ATOM 0 HA GLN A 47 3.493 -9.566 6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.078 -11.262 7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.206 -11.589 5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.809 -13.372 6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.453 -12.309 4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.714 -12.557 5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.501 -12.183 6.793 1.00 0.00 H new ATOM 696 N SER A 48 4.254 -10.133 4.005 1.00 0.00 N ATOM 697 CA SER A 48 4.679 -10.272 2.585 1.00 0.00 C ATOM 698 C SER A 48 3.769 -11.269 1.877 1.00 0.00 C ATOM 699 O SER A 48 3.385 -12.273 2.441 1.00 0.00 O ATOM 700 CB SER A 48 6.105 -10.817 2.652 1.00 0.00 C ATOM 701 OG SER A 48 6.945 -9.869 3.300 1.00 0.00 O ATOM 0 H SER A 48 5.016 -10.084 4.681 1.00 0.00 H new ATOM 0 HA SER A 48 4.627 -9.331 2.038 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.119 -11.762 3.195 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.476 -11.020 1.647 1.00 0.00 H new ATOM 0 HG SER A 48 7.859 -10.219 3.345 1.00 0.00 H new ATOM 707 N TRP A 49 3.426 -11.023 0.648 1.00 0.00 N ATOM 708 CA TRP A 49 2.554 -11.993 -0.057 1.00 0.00 C ATOM 709 C TRP A 49 3.260 -13.342 -0.054 1.00 0.00 C ATOM 710 O TRP A 49 2.655 -14.381 0.104 1.00 0.00 O ATOM 711 CB TRP A 49 2.405 -11.445 -1.476 1.00 0.00 C ATOM 712 CG TRP A 49 1.642 -10.159 -1.429 1.00 0.00 C ATOM 713 CD1 TRP A 49 2.193 -8.930 -1.400 1.00 0.00 C ATOM 714 CD2 TRP A 49 0.202 -9.954 -1.401 1.00 0.00 C ATOM 715 NE1 TRP A 49 1.184 -7.991 -1.362 1.00 0.00 N ATOM 716 CE2 TRP A 49 -0.059 -8.571 -1.358 1.00 0.00 C ATOM 717 CE3 TRP A 49 -0.886 -10.826 -1.410 1.00 0.00 C ATOM 718 CZ2 TRP A 49 -1.357 -8.069 -1.324 1.00 0.00 C ATOM 719 CZ3 TRP A 49 -2.202 -10.335 -1.376 1.00 0.00 C ATOM 720 CH2 TRP A 49 -2.437 -8.954 -1.333 1.00 0.00 C ATOM 0 H TRP A 49 3.707 -10.205 0.108 1.00 0.00 H new ATOM 0 HA TRP A 49 1.576 -12.123 0.405 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.387 -11.283 -1.921 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.885 -12.168 -2.105 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.251 -8.715 -1.406 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.343 -6.984 -1.340 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.715 -11.892 -1.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.527 -7.003 -1.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -3.034 -11.023 -1.383 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.448 -8.576 -1.307 1.00 0.00 H new ATOM 731 N SER A 50 4.555 -13.314 -0.204 1.00 0.00 N ATOM 732 CA SER A 50 5.357 -14.567 -0.199 1.00 0.00 C ATOM 733 C SER A 50 5.574 -15.090 1.232 1.00 0.00 C ATOM 734 O SER A 50 6.535 -15.783 1.500 1.00 0.00 O ATOM 735 CB SER A 50 6.687 -14.150 -0.819 1.00 0.00 C ATOM 736 OG SER A 50 7.364 -15.303 -1.302 1.00 0.00 O ATOM 0 H SER A 50 5.099 -12.461 -0.332 1.00 0.00 H new ATOM 0 HA SER A 50 4.864 -15.374 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.516 -13.447 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.301 -13.637 -0.079 1.00 0.00 H new ATOM 0 HG SER A 50 7.370 -15.994 -0.607 1.00 0.00 H new ATOM 742 N SER A 51 4.697 -14.775 2.152 1.00 0.00 N ATOM 743 CA SER A 51 4.871 -15.274 3.549 1.00 0.00 C ATOM 744 C SER A 51 4.825 -16.796 3.548 1.00 0.00 C ATOM 745 O SER A 51 3.939 -17.395 2.975 1.00 0.00 O ATOM 746 CB SER A 51 3.692 -14.706 4.334 1.00 0.00 C ATOM 747 OG SER A 51 2.644 -15.667 4.368 1.00 0.00 O ATOM 0 H SER A 51 3.872 -14.196 1.997 1.00 0.00 H new ATOM 0 HA SER A 51 5.823 -14.970 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.003 -14.454 5.348 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.341 -13.784 3.870 1.00 0.00 H new ATOM 0 HG SER A 51 2.728 -16.270 3.600 1.00 0.00 H new ATOM 753 N MET A 52 5.783 -17.430 4.159 1.00 0.00 N ATOM 754 CA MET A 52 5.797 -18.921 4.163 1.00 0.00 C ATOM 755 C MET A 52 6.038 -19.452 5.581 1.00 0.00 C ATOM 756 O MET A 52 6.198 -20.639 5.785 1.00 0.00 O ATOM 757 CB MET A 52 6.965 -19.311 3.247 1.00 0.00 C ATOM 758 CG MET A 52 7.034 -18.370 2.043 1.00 0.00 C ATOM 759 SD MET A 52 7.125 -19.338 0.528 1.00 0.00 S ATOM 760 CE MET A 52 5.354 -19.281 0.192 1.00 0.00 C ATOM 0 H MET A 52 6.555 -16.985 4.655 1.00 0.00 H new ATOM 0 HA MET A 52 4.849 -19.338 3.824 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.901 -19.270 3.803 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.841 -20.339 2.907 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.156 -17.724 2.022 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.906 -17.721 2.125 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.110 -19.994 -0.595 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.803 -19.537 1.097 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.077 -18.277 -0.130 1.00 0.00 H new ATOM 770 N THR A 53 6.078 -18.590 6.563 1.00 0.00 N ATOM 771 CA THR A 53 6.326 -19.075 7.959 1.00 0.00 C ATOM 772 C THR A 53 5.013 -19.170 8.750 1.00 0.00 C ATOM 773 O THR A 53 4.748 -20.178 9.374 1.00 0.00 O ATOM 774 CB THR A 53 7.288 -18.068 8.627 1.00 0.00 C ATOM 775 OG1 THR A 53 6.590 -17.332 9.622 1.00 0.00 O ATOM 776 CG2 THR A 53 7.881 -17.099 7.595 1.00 0.00 C ATOM 0 H THR A 53 5.952 -17.583 6.465 1.00 0.00 H new ATOM 0 HA THR A 53 6.761 -20.074 7.942 1.00 0.00 H new ATOM 0 HB THR A 53 8.106 -18.627 9.082 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.875 -16.395 9.596 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.554 -16.402 8.095 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.434 -17.662 6.843 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.076 -16.544 7.113 1.00 0.00 H new ATOM 784 N PRO A 54 4.232 -18.120 8.708 1.00 0.00 N ATOM 785 CA PRO A 54 2.949 -18.105 9.439 1.00 0.00 C ATOM 786 C PRO A 54 1.835 -18.673 8.557 1.00 0.00 C ATOM 787 O PRO A 54 1.546 -19.853 8.586 1.00 0.00 O ATOM 788 CB PRO A 54 2.724 -16.622 9.708 1.00 0.00 C ATOM 789 CG PRO A 54 3.486 -15.893 8.636 1.00 0.00 C ATOM 790 CD PRO A 54 4.452 -16.864 7.990 1.00 0.00 C ATOM 0 HA PRO A 54 2.956 -18.706 10.348 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.663 -16.374 9.671 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.082 -16.345 10.700 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.800 -15.489 7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.027 -15.048 9.063 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.253 -16.974 6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.483 -16.525 8.088 1.00 0.00 H new ATOM 798 N HIS A 55 1.219 -17.843 7.762 1.00 0.00 N ATOM 799 CA HIS A 55 0.134 -18.339 6.862 1.00 0.00 C ATOM 800 C HIS A 55 0.667 -18.452 5.433 1.00 0.00 C ATOM 801 O HIS A 55 0.428 -17.602 4.598 1.00 0.00 O ATOM 802 CB HIS A 55 -0.999 -17.305 6.941 1.00 0.00 C ATOM 803 CG HIS A 55 -0.432 -15.914 7.016 1.00 0.00 C ATOM 804 ND1 HIS A 55 -0.033 -15.348 8.215 1.00 0.00 N ATOM 805 CD2 HIS A 55 -0.181 -14.969 6.053 1.00 0.00 C ATOM 806 CE1 HIS A 55 0.435 -14.117 7.948 1.00 0.00 C ATOM 807 NE2 HIS A 55 0.368 -13.834 6.644 1.00 0.00 N ATOM 0 H HIS A 55 1.417 -16.845 7.695 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.223 -19.325 7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.644 -17.395 6.067 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.618 -17.500 7.816 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.085 -15.786 9.135 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.379 -15.088 4.998 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.818 -13.439 8.696 1.00 0.00 H new ATOM 815 N TRP A 56 1.398 -19.496 5.153 1.00 0.00 N ATOM 816 CA TRP A 56 1.965 -19.676 3.786 1.00 0.00 C ATOM 817 C TRP A 56 0.875 -19.524 2.722 1.00 0.00 C ATOM 818 O TRP A 56 -0.216 -20.042 2.855 1.00 0.00 O ATOM 819 CB TRP A 56 2.533 -21.100 3.779 1.00 0.00 C ATOM 820 CG TRP A 56 3.254 -21.352 2.491 1.00 0.00 C ATOM 821 CD1 TRP A 56 2.741 -21.149 1.264 1.00 0.00 C ATOM 822 CD2 TRP A 56 4.603 -21.846 2.282 1.00 0.00 C ATOM 823 NE1 TRP A 56 3.678 -21.484 0.317 1.00 0.00 N ATOM 824 CE2 TRP A 56 4.846 -21.920 0.891 1.00 0.00 C ATOM 825 CE3 TRP A 56 5.628 -22.230 3.150 1.00 0.00 C ATOM 826 CZ2 TRP A 56 6.062 -22.361 0.380 1.00 0.00 C ATOM 827 CZ3 TRP A 56 6.858 -22.671 2.639 1.00 0.00 C ATOM 828 CH2 TRP A 56 7.075 -22.737 1.258 1.00 0.00 C ATOM 0 H TRP A 56 1.628 -20.236 5.816 1.00 0.00 H new ATOM 0 HA TRP A 56 2.725 -18.929 3.557 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.214 -21.234 4.620 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.727 -21.823 3.903 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.747 -20.780 1.056 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.525 -21.417 -0.689 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.473 -22.187 4.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.219 -22.411 -0.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.645 -22.963 3.318 1.00 0.00 H new ATOM 0 HH2 TRP A 56 8.025 -23.078 0.875 1.00 0.00 H new ATOM 839 N HIS A 57 1.175 -18.833 1.652 1.00 0.00 N ATOM 840 CA HIS A 57 0.170 -18.664 0.562 1.00 0.00 C ATOM 841 C HIS A 57 0.724 -19.233 -0.754 1.00 0.00 C ATOM 842 O HIS A 57 1.778 -19.834 -0.787 1.00 0.00 O ATOM 843 CB HIS A 57 -0.061 -17.148 0.463 1.00 0.00 C ATOM 844 CG HIS A 57 0.936 -16.532 -0.487 1.00 0.00 C ATOM 845 ND1 HIS A 57 2.218 -17.037 -0.638 1.00 0.00 N ATOM 846 CD2 HIS A 57 0.846 -15.473 -1.357 1.00 0.00 C ATOM 847 CE1 HIS A 57 2.842 -16.293 -1.567 1.00 0.00 C ATOM 848 NE2 HIS A 57 2.051 -15.324 -2.039 1.00 0.00 N ATOM 0 H HIS A 57 2.073 -18.379 1.487 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.761 -19.194 0.762 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.075 -16.949 0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.035 -16.693 1.449 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.616 -17.830 -0.135 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.026 -14.851 -1.492 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.858 -16.458 -1.893 1.00 0.00 H new ATOM 856 N GLN A 58 0.027 -19.038 -1.840 1.00 0.00 N ATOM 857 CA GLN A 58 0.527 -19.562 -3.143 1.00 0.00 C ATOM 858 C GLN A 58 0.473 -18.469 -4.215 1.00 0.00 C ATOM 859 O GLN A 58 0.667 -18.725 -5.387 1.00 0.00 O ATOM 860 CB GLN A 58 -0.414 -20.714 -3.495 1.00 0.00 C ATOM 861 CG GLN A 58 0.211 -22.032 -3.034 1.00 0.00 C ATOM 862 CD GLN A 58 -0.822 -23.155 -3.136 1.00 0.00 C ATOM 863 OE1 GLN A 58 -1.458 -23.322 -4.158 1.00 0.00 O ATOM 864 NE2 GLN A 58 -1.018 -23.938 -2.110 1.00 0.00 N ATOM 0 H GLN A 58 -0.863 -18.541 -1.882 1.00 0.00 H new ATOM 0 HA GLN A 58 1.565 -19.890 -3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.382 -20.569 -3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.592 -20.738 -4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.081 -22.268 -3.648 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.562 -21.940 -2.006 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.484 -23.798 -1.252 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.705 -24.690 -2.166 1.00 0.00 H new ATOM 873 N ARG A 59 0.218 -17.251 -3.823 1.00 0.00 N ATOM 874 CA ARG A 59 0.161 -16.143 -4.820 1.00 0.00 C ATOM 875 C ARG A 59 1.339 -15.188 -4.610 1.00 0.00 C ATOM 876 O ARG A 59 1.165 -13.998 -4.436 1.00 0.00 O ATOM 877 CB ARG A 59 -1.164 -15.430 -4.551 1.00 0.00 C ATOM 878 CG ARG A 59 -2.035 -15.482 -5.808 1.00 0.00 C ATOM 879 CD ARG A 59 -3.259 -14.584 -5.618 1.00 0.00 C ATOM 880 NE ARG A 59 -4.428 -15.468 -5.883 1.00 0.00 N ATOM 881 CZ ARG A 59 -4.960 -16.154 -4.910 1.00 0.00 C ATOM 882 NH1 ARG A 59 -5.636 -15.543 -3.975 1.00 0.00 N ATOM 883 NH2 ARG A 59 -4.814 -17.450 -4.870 1.00 0.00 N ATOM 0 H ARG A 59 0.047 -16.974 -2.856 1.00 0.00 H new ATOM 0 HA ARG A 59 0.223 -16.506 -5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.682 -15.904 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.981 -14.394 -4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.461 -15.154 -6.675 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.350 -16.507 -6.003 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.295 -14.173 -4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.239 -13.738 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.812 -15.537 -6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.748 -14.530 -4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.052 -16.079 -3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.284 -17.926 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.230 -17.987 -4.109 1.00 0.00 H new ATOM 897 N THR A 60 2.535 -15.704 -4.624 1.00 0.00 N ATOM 898 CA THR A 60 3.733 -14.836 -4.424 1.00 0.00 C ATOM 899 C THR A 60 3.939 -13.923 -5.617 1.00 0.00 C ATOM 900 O THR A 60 3.186 -13.935 -6.571 1.00 0.00 O ATOM 901 CB THR A 60 4.915 -15.797 -4.344 1.00 0.00 C ATOM 902 OG1 THR A 60 6.126 -15.054 -4.341 1.00 0.00 O ATOM 903 CG2 THR A 60 4.891 -16.729 -5.557 1.00 0.00 C ATOM 0 H THR A 60 2.738 -16.694 -4.766 1.00 0.00 H new ATOM 0 HA THR A 60 3.622 -14.213 -3.536 1.00 0.00 H new ATOM 0 HB THR A 60 4.848 -16.387 -3.430 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.526 -15.084 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.734 -17.417 -5.504 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.960 -17.296 -5.562 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.962 -16.139 -6.471 1.00 0.00 H new ATOM 911 N THR A 61 4.988 -13.160 -5.582 1.00 0.00 N ATOM 912 CA THR A 61 5.292 -12.278 -6.725 1.00 0.00 C ATOM 913 C THR A 61 5.722 -13.151 -7.897 1.00 0.00 C ATOM 914 O THR A 61 5.795 -12.706 -9.025 1.00 0.00 O ATOM 915 CB THR A 61 6.431 -11.382 -6.251 1.00 0.00 C ATOM 916 OG1 THR A 61 7.150 -12.037 -5.215 1.00 0.00 O ATOM 917 CG2 THR A 61 5.843 -10.076 -5.724 1.00 0.00 C ATOM 0 H THR A 61 5.649 -13.111 -4.806 1.00 0.00 H new ATOM 0 HA THR A 61 4.443 -11.677 -7.051 1.00 0.00 H new ATOM 0 HB THR A 61 7.110 -11.173 -7.078 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.883 -11.462 -4.911 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.648 -9.426 -5.382 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.289 -9.579 -6.520 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.171 -10.289 -4.893 1.00 0.00 H new ATOM 925 N GLU A 62 5.986 -14.410 -7.641 1.00 0.00 N ATOM 926 CA GLU A 62 6.379 -15.308 -8.745 1.00 0.00 C ATOM 927 C GLU A 62 5.190 -15.430 -9.679 1.00 0.00 C ATOM 928 O GLU A 62 5.324 -15.649 -10.867 1.00 0.00 O ATOM 929 CB GLU A 62 6.711 -16.648 -8.087 1.00 0.00 C ATOM 930 CG GLU A 62 7.868 -17.313 -8.835 1.00 0.00 C ATOM 931 CD GLU A 62 7.579 -18.806 -9.000 1.00 0.00 C ATOM 932 OE1 GLU A 62 6.559 -19.250 -8.500 1.00 0.00 O ATOM 933 OE2 GLU A 62 8.383 -19.480 -9.624 1.00 0.00 O ATOM 0 H GLU A 62 5.944 -14.842 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 62 7.233 -14.951 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.980 -16.495 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.836 -17.297 -8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.999 -16.847 -9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.799 -17.171 -8.287 1.00 0.00 H new ATOM 940 N TYR A 63 4.020 -15.249 -9.140 1.00 0.00 N ATOM 941 CA TYR A 63 2.802 -15.307 -9.973 1.00 0.00 C ATOM 942 C TYR A 63 2.540 -13.915 -10.554 1.00 0.00 C ATOM 943 O TYR A 63 1.666 -13.724 -11.376 1.00 0.00 O ATOM 944 CB TYR A 63 1.681 -15.718 -9.018 1.00 0.00 C ATOM 945 CG TYR A 63 1.632 -17.224 -8.909 1.00 0.00 C ATOM 946 CD1 TYR A 63 2.751 -17.932 -8.454 1.00 0.00 C ATOM 947 CD2 TYR A 63 0.464 -17.912 -9.262 1.00 0.00 C ATOM 948 CE1 TYR A 63 2.702 -19.327 -8.351 1.00 0.00 C ATOM 949 CE2 TYR A 63 0.416 -19.307 -9.160 1.00 0.00 C ATOM 950 CZ TYR A 63 1.534 -20.015 -8.704 1.00 0.00 C ATOM 951 OH TYR A 63 1.486 -21.390 -8.602 1.00 0.00 O ATOM 0 H TYR A 63 3.859 -15.062 -8.150 1.00 0.00 H new ATOM 0 HA TYR A 63 2.884 -16.006 -10.805 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.848 -15.278 -8.035 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.725 -15.339 -9.379 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.652 -17.402 -8.183 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.399 -17.366 -9.613 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.565 -19.873 -7.999 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.484 -19.837 -9.433 1.00 0.00 H new ATOM 0 HH TYR A 63 0.603 -21.708 -8.885 1.00 0.00 H new ATOM 961 N TYR A 64 3.304 -12.940 -10.126 1.00 0.00 N ATOM 962 CA TYR A 64 3.118 -11.554 -10.643 1.00 0.00 C ATOM 963 C TYR A 64 4.460 -10.817 -10.637 1.00 0.00 C ATOM 964 O TYR A 64 4.860 -10.266 -9.631 1.00 0.00 O ATOM 965 CB TYR A 64 2.141 -10.894 -9.669 1.00 0.00 C ATOM 966 CG TYR A 64 0.725 -11.106 -10.149 1.00 0.00 C ATOM 967 CD1 TYR A 64 0.132 -10.177 -11.013 1.00 0.00 C ATOM 968 CD2 TYR A 64 0.003 -12.229 -9.727 1.00 0.00 C ATOM 969 CE1 TYR A 64 -1.181 -10.372 -11.456 1.00 0.00 C ATOM 970 CE2 TYR A 64 -1.311 -12.423 -10.170 1.00 0.00 C ATOM 971 CZ TYR A 64 -1.903 -11.494 -11.034 1.00 0.00 C ATOM 972 OH TYR A 64 -3.197 -11.686 -11.470 1.00 0.00 O ATOM 0 H TYR A 64 4.050 -13.048 -9.439 1.00 0.00 H new ATOM 0 HA TYR A 64 2.743 -11.537 -11.666 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.265 -11.317 -8.672 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.354 -9.828 -9.592 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.688 -9.310 -11.337 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.459 -12.945 -9.060 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.637 -9.656 -12.124 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.868 -13.289 -9.845 1.00 0.00 H new ATOM 0 HH TYR A 64 -3.553 -12.513 -11.084 1.00 0.00 H new ATOM 982 N PRO A 65 5.114 -10.843 -11.764 1.00 0.00 N ATOM 983 CA PRO A 65 6.435 -10.178 -11.896 1.00 0.00 C ATOM 984 C PRO A 65 6.281 -8.655 -11.885 1.00 0.00 C ATOM 985 O PRO A 65 7.181 -7.935 -11.501 1.00 0.00 O ATOM 986 CB PRO A 65 6.945 -10.665 -13.250 1.00 0.00 C ATOM 987 CG PRO A 65 5.715 -11.025 -14.019 1.00 0.00 C ATOM 988 CD PRO A 65 4.691 -11.484 -13.014 1.00 0.00 C ATOM 0 HA PRO A 65 7.114 -10.414 -11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.516 -9.889 -13.759 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.606 -11.524 -13.137 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.346 -10.167 -14.582 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.928 -11.813 -14.741 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.685 -11.178 -13.300 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.679 -12.570 -12.922 1.00 0.00 H new ATOM 996 N ASN A 66 5.151 -8.158 -12.305 1.00 0.00 N ATOM 997 CA ASN A 66 4.948 -6.681 -12.318 1.00 0.00 C ATOM 998 C ASN A 66 3.617 -6.322 -11.655 1.00 0.00 C ATOM 999 O ASN A 66 2.823 -5.580 -12.198 1.00 0.00 O ATOM 1000 CB ASN A 66 4.927 -6.299 -13.798 1.00 0.00 C ATOM 1001 CG ASN A 66 5.081 -4.784 -13.937 1.00 0.00 C ATOM 1002 OD1 ASN A 66 4.508 -4.030 -13.176 1.00 0.00 O ATOM 1003 ND2 ASN A 66 5.838 -4.302 -14.885 1.00 0.00 N ATOM 0 H ASN A 66 4.360 -8.709 -12.639 1.00 0.00 H new ATOM 0 HA ASN A 66 5.728 -6.153 -11.769 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.733 -6.807 -14.327 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.992 -6.623 -14.255 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.948 -3.293 -14.986 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.319 -4.934 -15.524 1.00 0.00 H new ATOM 1010 N GLY A 67 3.366 -6.839 -10.484 1.00 0.00 N ATOM 1011 CA GLY A 67 2.086 -6.521 -9.793 1.00 0.00 C ATOM 1012 C GLY A 67 2.326 -5.433 -8.746 1.00 0.00 C ATOM 1013 O GLY A 67 1.401 -4.820 -8.251 1.00 0.00 O ATOM 0 H GLY A 67 3.990 -7.466 -9.977 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.343 -6.186 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.686 -7.416 -9.317 1.00 0.00 H new ATOM 1017 N GLY A 68 3.561 -5.193 -8.398 1.00 0.00 N ATOM 1018 CA GLY A 68 3.858 -4.153 -7.375 1.00 0.00 C ATOM 1019 C GLY A 68 3.662 -4.765 -5.992 1.00 0.00 C ATOM 1020 O GLY A 68 3.492 -4.073 -5.008 1.00 0.00 O ATOM 0 H GLY A 68 4.377 -5.673 -8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.880 -3.792 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.200 -3.294 -7.506 1.00 0.00 H new ATOM 1024 N LEU A 69 3.673 -6.066 -5.917 1.00 0.00 N ATOM 1025 CA LEU A 69 3.477 -6.741 -4.608 1.00 0.00 C ATOM 1026 C LEU A 69 4.805 -6.863 -3.860 1.00 0.00 C ATOM 1027 O LEU A 69 5.229 -7.942 -3.498 1.00 0.00 O ATOM 1028 CB LEU A 69 2.927 -8.121 -4.960 1.00 0.00 C ATOM 1029 CG LEU A 69 1.456 -7.987 -5.344 1.00 0.00 C ATOM 1030 CD1 LEU A 69 1.053 -9.153 -6.245 1.00 0.00 C ATOM 1031 CD2 LEU A 69 0.603 -8.004 -4.077 1.00 0.00 C ATOM 0 H LEU A 69 3.810 -6.692 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 69 2.805 -6.185 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.494 -8.553 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.034 -8.797 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 69 1.302 -7.049 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.002 -9.056 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.665 -9.144 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.204 -10.093 -5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.449 -7.909 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.758 -8.943 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.890 -7.172 -3.434 1.00 0.00 H new ATOM 1043 N THR A 70 5.458 -5.763 -3.616 1.00 0.00 N ATOM 1044 CA THR A 70 6.752 -5.814 -2.880 1.00 0.00 C ATOM 1045 C THR A 70 6.490 -6.117 -1.404 1.00 0.00 C ATOM 1046 O THR A 70 5.557 -5.608 -0.816 1.00 0.00 O ATOM 1047 CB THR A 70 7.357 -4.419 -3.043 1.00 0.00 C ATOM 1048 OG1 THR A 70 7.475 -4.115 -4.425 1.00 0.00 O ATOM 1049 CG2 THR A 70 8.739 -4.380 -2.389 1.00 0.00 C ATOM 0 H THR A 70 5.153 -4.830 -3.894 1.00 0.00 H new ATOM 0 HA THR A 70 7.419 -6.589 -3.257 1.00 0.00 H new ATOM 0 HB THR A 70 6.711 -3.684 -2.563 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.861 -3.221 -4.531 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.169 -3.385 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.646 -4.613 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.388 -5.114 -2.866 1.00 0.00 H new ATOM 1057 N ARG A 71 7.298 -6.942 -0.798 1.00 0.00 N ATOM 1058 CA ARG A 71 7.074 -7.264 0.639 1.00 0.00 C ATOM 1059 C ARG A 71 5.585 -7.537 0.882 1.00 0.00 C ATOM 1060 O ARG A 71 4.939 -8.220 0.112 1.00 0.00 O ATOM 1061 CB ARG A 71 7.525 -6.010 1.389 1.00 0.00 C ATOM 1062 CG ARG A 71 7.990 -6.391 2.795 1.00 0.00 C ATOM 1063 CD ARG A 71 7.634 -5.265 3.767 1.00 0.00 C ATOM 1064 NE ARG A 71 8.695 -5.305 4.810 1.00 0.00 N ATOM 1065 CZ ARG A 71 8.610 -4.528 5.855 1.00 0.00 C ATOM 1066 NH1 ARG A 71 7.779 -3.521 5.854 1.00 0.00 N ATOM 1067 NH2 ARG A 71 9.355 -4.759 6.902 1.00 0.00 N ATOM 0 H ARG A 71 8.098 -7.404 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 71 7.617 -8.151 0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.335 -5.522 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.705 -5.295 1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.515 -7.321 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.066 -6.565 2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.614 -4.299 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.647 -5.417 4.203 1.00 0.00 H new ATOM 0 HE ARG A 71 9.488 -5.939 4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.196 -3.342 5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.713 -2.914 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.003 -5.547 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.289 -4.152 7.719 1.00 0.00 H new ATOM 1081 N ASN A 72 5.032 -7.007 1.941 1.00 0.00 N ATOM 1082 CA ASN A 72 3.584 -7.237 2.220 1.00 0.00 C ATOM 1083 C ASN A 72 2.738 -6.159 1.534 1.00 0.00 C ATOM 1084 O ASN A 72 1.598 -5.939 1.893 1.00 0.00 O ATOM 1085 CB ASN A 72 3.449 -7.123 3.739 1.00 0.00 C ATOM 1086 CG ASN A 72 3.510 -5.651 4.155 1.00 0.00 C ATOM 1087 OD1 ASN A 72 2.518 -4.855 3.850 1.00 0.00 O flip ATOM 1088 ND2 ASN A 72 4.469 -5.219 4.762 1.00 0.00 N flip ATOM 0 H ASN A 72 5.519 -6.426 2.623 1.00 0.00 H new ATOM 0 HA ASN A 72 3.242 -8.203 1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.506 -7.564 4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.247 -7.682 4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.243 -5.839 5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.500 -4.236 5.033 1.00 0.00 H new ATOM 1095 N TYR A 73 3.294 -5.474 0.570 1.00 0.00 N ATOM 1096 CA TYR A 73 2.535 -4.389 -0.127 1.00 0.00 C ATOM 1097 C TYR A 73 1.055 -4.758 -0.273 1.00 0.00 C ATOM 1098 O TYR A 73 0.682 -5.912 -0.248 1.00 0.00 O ATOM 1099 CB TYR A 73 3.191 -4.268 -1.502 1.00 0.00 C ATOM 1100 CG TYR A 73 4.326 -3.276 -1.430 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.069 -3.147 -0.250 1.00 0.00 C ATOM 1102 CD2 TYR A 73 4.635 -2.483 -2.541 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.120 -2.225 -0.182 1.00 0.00 C ATOM 1104 CE2 TYR A 73 5.686 -1.562 -2.473 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.429 -1.433 -1.294 1.00 0.00 C ATOM 1106 OH TYR A 73 7.466 -0.524 -1.227 1.00 0.00 O ATOM 0 H TYR A 73 4.246 -5.619 0.232 1.00 0.00 H new ATOM 0 HA TYR A 73 2.566 -3.453 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.563 -5.240 -1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.457 -3.945 -2.240 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.831 -3.759 0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.062 -2.582 -3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.692 -2.125 0.728 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.924 -0.950 -3.331 1.00 0.00 H new ATOM 0 HH TYR A 73 7.547 -0.057 -2.085 1.00 0.00 H new ATOM 1116 N CYS A 74 0.214 -3.775 -0.420 1.00 0.00 N ATOM 1117 CA CYS A 74 -1.247 -4.044 -0.566 1.00 0.00 C ATOM 1118 C CYS A 74 -1.639 -4.066 -2.043 1.00 0.00 C ATOM 1119 O CYS A 74 -1.225 -3.228 -2.819 1.00 0.00 O ATOM 1120 CB CYS A 74 -1.935 -2.880 0.144 1.00 0.00 C ATOM 1121 SG CYS A 74 -2.341 -3.363 1.839 1.00 0.00 S ATOM 0 H CYS A 74 0.475 -2.789 -0.446 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.530 -5.009 -0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.283 -2.007 0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.841 -2.598 -0.392 1.00 0.00 H new ATOM 1126 N ARG A 75 -2.439 -5.017 -2.437 1.00 0.00 N ATOM 1127 CA ARG A 75 -2.862 -5.092 -3.864 1.00 0.00 C ATOM 1128 C ARG A 75 -4.235 -5.762 -3.970 1.00 0.00 C ATOM 1129 O ARG A 75 -4.597 -6.590 -3.158 1.00 0.00 O ATOM 1130 CB ARG A 75 -1.794 -5.946 -4.546 1.00 0.00 C ATOM 1131 CG ARG A 75 -0.577 -5.078 -4.875 1.00 0.00 C ATOM 1132 CD ARG A 75 -0.984 -3.965 -5.844 1.00 0.00 C ATOM 1133 NE ARG A 75 0.301 -3.442 -6.385 1.00 0.00 N ATOM 1134 CZ ARG A 75 0.295 -2.507 -7.296 1.00 0.00 C ATOM 1135 NH1 ARG A 75 -0.477 -2.620 -8.342 1.00 0.00 N ATOM 1136 NH2 ARG A 75 1.063 -1.460 -7.161 1.00 0.00 N ATOM 0 H ARG A 75 -2.819 -5.746 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.952 -4.108 -4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.501 -6.769 -3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.195 -6.389 -5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.168 -4.646 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.209 -5.690 -5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.622 -4.348 -6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.546 -3.183 -5.334 1.00 0.00 H new ATOM 0 HE ARG A 75 1.187 -3.815 -6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.076 -3.439 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.482 -1.889 -9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.667 -1.373 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.059 -0.729 -7.873 1.00 0.00 H new ATOM 1150 N ASN A 76 -5.001 -5.411 -4.967 1.00 0.00 N ATOM 1151 CA ASN A 76 -6.347 -6.029 -5.126 1.00 0.00 C ATOM 1152 C ASN A 76 -6.365 -6.926 -6.365 1.00 0.00 C ATOM 1153 O ASN A 76 -6.569 -6.460 -7.468 1.00 0.00 O ATOM 1154 CB ASN A 76 -7.307 -4.851 -5.301 1.00 0.00 C ATOM 1155 CG ASN A 76 -8.691 -5.372 -5.693 1.00 0.00 C ATOM 1156 OD1 ASN A 76 -8.871 -6.555 -5.898 1.00 0.00 O ATOM 1157 ND2 ASN A 76 -9.682 -4.531 -5.806 1.00 0.00 N ATOM 0 H ASN A 76 -4.752 -4.723 -5.678 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.622 -6.652 -4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.371 -4.280 -4.375 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.932 -4.173 -6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.609 -4.867 -6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.530 -3.537 -5.634 1.00 0.00 H new ATOM 1164 N PRO A 77 -6.144 -8.193 -6.138 1.00 0.00 N ATOM 1165 CA PRO A 77 -6.127 -9.176 -7.245 1.00 0.00 C ATOM 1166 C PRO A 77 -7.553 -9.560 -7.664 1.00 0.00 C ATOM 1167 O PRO A 77 -7.763 -10.553 -8.332 1.00 0.00 O ATOM 1168 CB PRO A 77 -5.406 -10.376 -6.642 1.00 0.00 C ATOM 1169 CG PRO A 77 -5.623 -10.268 -5.163 1.00 0.00 C ATOM 1170 CD PRO A 77 -5.887 -8.818 -4.838 1.00 0.00 C ATOM 0 HA PRO A 77 -5.645 -8.791 -8.143 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.808 -11.312 -7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.344 -10.359 -6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.465 -10.888 -4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.748 -10.627 -4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.741 -8.710 -4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.032 -8.361 -4.339 1.00 0.00 H new ATOM 1178 N ASP A 78 -8.534 -8.784 -7.287 1.00 0.00 N ATOM 1179 CA ASP A 78 -9.930 -9.110 -7.675 1.00 0.00 C ATOM 1180 C ASP A 78 -10.639 -7.833 -8.120 1.00 0.00 C ATOM 1181 O ASP A 78 -10.550 -7.439 -9.266 1.00 0.00 O ATOM 1182 CB ASP A 78 -10.575 -9.685 -6.413 1.00 0.00 C ATOM 1183 CG ASP A 78 -12.049 -9.988 -6.689 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -12.389 -10.164 -7.848 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -12.811 -10.040 -5.739 1.00 0.00 O ATOM 0 H ASP A 78 -8.425 -7.939 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.986 -9.818 -8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.056 -10.594 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.486 -8.976 -5.590 1.00 0.00 H new ATOM 1190 N ALA A 79 -11.331 -7.171 -7.225 1.00 0.00 N ATOM 1191 CA ALA A 79 -12.033 -5.911 -7.600 1.00 0.00 C ATOM 1192 C ALA A 79 -13.048 -5.516 -6.522 1.00 0.00 C ATOM 1193 O ALA A 79 -14.165 -5.141 -6.819 1.00 0.00 O ATOM 1194 CB ALA A 79 -12.748 -6.225 -8.913 1.00 0.00 C ATOM 0 H ALA A 79 -11.438 -7.452 -6.250 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.339 -5.076 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.289 -5.342 -9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.015 -6.514 -9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.451 -7.044 -8.758 1.00 0.00 H new ATOM 1200 N GLU A 80 -12.671 -5.589 -5.274 1.00 0.00 N ATOM 1201 CA GLU A 80 -13.622 -5.209 -4.189 1.00 0.00 C ATOM 1202 C GLU A 80 -13.454 -3.728 -3.840 1.00 0.00 C ATOM 1203 O GLU A 80 -12.807 -2.983 -4.549 1.00 0.00 O ATOM 1204 CB GLU A 80 -13.245 -6.089 -2.997 1.00 0.00 C ATOM 1205 CG GLU A 80 -11.852 -5.705 -2.497 1.00 0.00 C ATOM 1206 CD GLU A 80 -10.878 -6.853 -2.769 1.00 0.00 C ATOM 1207 OE1 GLU A 80 -10.917 -7.823 -2.031 1.00 0.00 O ATOM 1208 OE2 GLU A 80 -10.111 -6.742 -3.712 1.00 0.00 O ATOM 0 H GLU A 80 -11.750 -5.894 -4.959 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.662 -5.353 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.976 -5.968 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.261 -7.139 -3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.511 -4.799 -2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.884 -5.487 -1.430 1.00 0.00 H new ATOM 1215 N ILE A 81 -14.030 -3.293 -2.753 1.00 0.00 N ATOM 1216 CA ILE A 81 -13.900 -1.859 -2.364 1.00 0.00 C ATOM 1217 C ILE A 81 -12.438 -1.413 -2.452 1.00 0.00 C ATOM 1218 O ILE A 81 -12.140 -0.309 -2.862 1.00 0.00 O ATOM 1219 CB ILE A 81 -14.387 -1.788 -0.917 1.00 0.00 C ATOM 1220 CG1 ILE A 81 -13.670 -2.845 -0.079 1.00 0.00 C ATOM 1221 CG2 ILE A 81 -15.888 -2.045 -0.865 1.00 0.00 C ATOM 1222 CD1 ILE A 81 -12.521 -2.186 0.677 1.00 0.00 C ATOM 0 H ILE A 81 -14.584 -3.867 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.474 -1.206 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 81 -14.172 -0.796 -0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -14.366 -3.305 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -13.291 -3.640 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -16.230 -1.993 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.407 -1.291 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -16.102 -3.034 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -12.004 -2.934 1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.822 -1.746 -0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.914 -1.406 1.329 1.00 0.00 H new ATOM 1234 N SER A 82 -11.525 -2.260 -2.065 1.00 0.00 N ATOM 1235 CA SER A 82 -10.086 -1.878 -2.122 1.00 0.00 C ATOM 1236 C SER A 82 -9.205 -3.121 -1.987 1.00 0.00 C ATOM 1237 O SER A 82 -9.697 -4.210 -1.764 1.00 0.00 O ATOM 1238 CB SER A 82 -9.882 -0.947 -0.928 1.00 0.00 C ATOM 1239 OG SER A 82 -9.377 -1.697 0.170 1.00 0.00 O ATOM 0 H SER A 82 -11.712 -3.199 -1.712 1.00 0.00 H new ATOM 0 HA SER A 82 -9.820 -1.401 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.187 -0.149 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.825 -0.472 -0.657 1.00 0.00 H new ATOM 0 HG SER A 82 -9.394 -1.144 0.979 1.00 0.00 H new ATOM 1245 N PRO A 83 -7.925 -2.914 -2.125 1.00 0.00 N ATOM 1246 CA PRO A 83 -6.958 -4.032 -2.015 1.00 0.00 C ATOM 1247 C PRO A 83 -6.813 -4.470 -0.558 1.00 0.00 C ATOM 1248 O PRO A 83 -7.030 -3.704 0.360 1.00 0.00 O ATOM 1249 CB PRO A 83 -5.656 -3.434 -2.537 1.00 0.00 C ATOM 1250 CG PRO A 83 -5.791 -1.960 -2.321 1.00 0.00 C ATOM 1251 CD PRO A 83 -7.261 -1.634 -2.395 1.00 0.00 C ATOM 0 HA PRO A 83 -7.264 -4.919 -2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -4.795 -3.834 -2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.510 -3.666 -3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.381 -1.674 -1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.235 -1.407 -3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.539 -0.878 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.534 -1.242 -3.375 1.00 0.00 H new ATOM 1259 N TRP A 84 -6.441 -5.698 -0.343 1.00 0.00 N ATOM 1260 CA TRP A 84 -6.271 -6.198 1.053 1.00 0.00 C ATOM 1261 C TRP A 84 -4.854 -6.741 1.232 1.00 0.00 C ATOM 1262 O TRP A 84 -3.990 -6.507 0.411 1.00 0.00 O ATOM 1263 CB TRP A 84 -7.310 -7.312 1.228 1.00 0.00 C ATOM 1264 CG TRP A 84 -7.411 -8.125 -0.025 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -8.086 -7.755 -1.138 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -6.839 -9.434 -0.309 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -7.963 -8.752 -2.088 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -7.204 -9.809 -1.624 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -6.047 -10.325 0.438 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -6.797 -11.022 -2.178 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -5.636 -11.548 -0.117 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -6.010 -11.896 -1.422 1.00 0.00 C ATOM 0 H TRP A 84 -6.246 -6.382 -1.074 1.00 0.00 H new ATOM 0 HA TRP A 84 -6.414 -5.412 1.794 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -7.030 -7.952 2.064 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -8.281 -6.879 1.469 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -8.632 -6.832 -1.264 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -8.381 -8.712 -3.017 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -5.753 -10.067 1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -7.088 -11.285 -3.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -5.028 -12.224 0.465 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -5.691 -12.838 -1.843 1.00 0.00 H new ATOM 1283 N CYS A 85 -4.594 -7.455 2.294 1.00 0.00 N ATOM 1284 CA CYS A 85 -3.216 -7.983 2.490 1.00 0.00 C ATOM 1285 C CYS A 85 -3.146 -8.843 3.751 1.00 0.00 C ATOM 1286 O CYS A 85 -3.731 -8.522 4.766 1.00 0.00 O ATOM 1287 CB CYS A 85 -2.349 -6.736 2.649 1.00 0.00 C ATOM 1288 SG CYS A 85 -3.000 -5.734 4.011 1.00 0.00 S ATOM 0 H CYS A 85 -5.266 -7.692 3.024 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.892 -8.614 1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.316 -7.019 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.347 -6.159 1.724 1.00 0.00 H new ATOM 1293 N TYR A 86 -2.423 -9.926 3.698 1.00 0.00 N ATOM 1294 CA TYR A 86 -2.303 -10.794 4.902 1.00 0.00 C ATOM 1295 C TYR A 86 -1.833 -9.946 6.087 1.00 0.00 C ATOM 1296 O TYR A 86 -1.770 -8.738 6.002 1.00 0.00 O ATOM 1297 CB TYR A 86 -1.247 -11.840 4.538 1.00 0.00 C ATOM 1298 CG TYR A 86 -1.558 -12.431 3.183 1.00 0.00 C ATOM 1299 CD1 TYR A 86 -2.802 -13.029 2.947 1.00 0.00 C ATOM 1300 CD2 TYR A 86 -0.602 -12.378 2.161 1.00 0.00 C ATOM 1301 CE1 TYR A 86 -3.089 -13.576 1.691 1.00 0.00 C ATOM 1302 CE2 TYR A 86 -0.889 -12.925 0.905 1.00 0.00 C ATOM 1303 CZ TYR A 86 -2.132 -13.524 0.669 1.00 0.00 C ATOM 1304 OH TYR A 86 -2.415 -14.063 -0.569 1.00 0.00 O ATOM 0 H TYR A 86 -1.911 -10.247 2.876 1.00 0.00 H new ATOM 0 HA TYR A 86 -3.247 -11.261 5.183 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.258 -11.383 4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -1.226 -12.627 5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.540 -13.068 3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.357 -11.915 2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.048 -14.038 1.510 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -0.151 -12.885 0.117 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.761 -13.740 -1.224 1.00 0.00 H new ATOM 1314 N THR A 87 -1.491 -10.562 7.184 1.00 0.00 N ATOM 1315 CA THR A 87 -1.011 -9.774 8.359 1.00 0.00 C ATOM 1316 C THR A 87 0.399 -10.209 8.740 1.00 0.00 C ATOM 1317 O THR A 87 0.677 -11.382 8.869 1.00 0.00 O ATOM 1318 CB THR A 87 -1.963 -10.107 9.506 1.00 0.00 C ATOM 1319 OG1 THR A 87 -2.714 -11.263 9.181 1.00 0.00 O ATOM 1320 CG2 THR A 87 -2.899 -8.928 9.764 1.00 0.00 C ATOM 0 H THR A 87 -1.522 -11.572 7.320 1.00 0.00 H new ATOM 0 HA THR A 87 -0.991 -8.707 8.137 1.00 0.00 H new ATOM 0 HB THR A 87 -1.384 -10.300 10.409 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.298 -12.050 9.592 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.575 -9.173 10.583 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.312 -8.048 10.028 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.479 -8.720 8.865 1.00 0.00 H new ATOM 1328 N MET A 88 1.286 -9.278 8.955 1.00 0.00 N ATOM 1329 CA MET A 88 2.676 -9.645 9.355 1.00 0.00 C ATOM 1330 C MET A 88 2.708 -10.261 10.766 1.00 0.00 C ATOM 1331 O MET A 88 3.764 -10.426 11.346 1.00 0.00 O ATOM 1332 CB MET A 88 3.448 -8.325 9.336 1.00 0.00 C ATOM 1333 CG MET A 88 4.950 -8.614 9.326 1.00 0.00 C ATOM 1334 SD MET A 88 5.857 -7.081 9.009 1.00 0.00 S ATOM 1335 CE MET A 88 7.323 -7.838 8.266 1.00 0.00 C ATOM 0 H MET A 88 1.109 -8.277 8.871 1.00 0.00 H new ATOM 0 HA MET A 88 3.103 -10.392 8.686 1.00 0.00 H new ATOM 0 HB2 MET A 88 3.173 -7.743 8.457 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.188 -7.726 10.209 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.256 -9.039 10.282 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.184 -9.353 8.559 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.033 -7.059 7.988 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.788 -8.513 8.985 1.00 0.00 H new ATOM 0 HE3 MET A 88 7.032 -8.398 7.377 1.00 0.00 H new ATOM 1345 N ASP A 89 1.575 -10.610 11.328 1.00 0.00 N ATOM 1346 CA ASP A 89 1.574 -11.212 12.683 1.00 0.00 C ATOM 1347 C ASP A 89 0.879 -12.571 12.635 1.00 0.00 C ATOM 1348 O ASP A 89 -0.069 -12.762 11.899 1.00 0.00 O ATOM 1349 CB ASP A 89 0.786 -10.232 13.551 1.00 0.00 C ATOM 1350 CG ASP A 89 1.125 -10.464 15.024 1.00 0.00 C ATOM 1351 OD1 ASP A 89 0.564 -11.378 15.604 1.00 0.00 O ATOM 1352 OD2 ASP A 89 1.942 -9.723 15.547 1.00 0.00 O ATOM 0 H ASP A 89 0.655 -10.501 10.901 1.00 0.00 H new ATOM 0 HA ASP A 89 2.578 -11.375 13.074 1.00 0.00 H new ATOM 0 HB2 ASP A 89 1.026 -9.207 13.269 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.284 -10.365 13.388 1.00 0.00 H new ATOM 1357 N PRO A 90 1.380 -13.468 13.429 1.00 0.00 N ATOM 1358 CA PRO A 90 0.813 -14.836 13.497 1.00 0.00 C ATOM 1359 C PRO A 90 -0.510 -14.843 14.272 1.00 0.00 C ATOM 1360 O PRO A 90 -1.059 -15.887 14.565 1.00 0.00 O ATOM 1361 CB PRO A 90 1.886 -15.627 14.240 1.00 0.00 C ATOM 1362 CG PRO A 90 2.633 -14.610 15.048 1.00 0.00 C ATOM 1363 CD PRO A 90 2.519 -13.290 14.326 1.00 0.00 C ATOM 0 HA PRO A 90 0.582 -15.251 12.516 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.441 -16.389 14.880 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.549 -16.142 13.544 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.216 -14.536 16.052 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.678 -14.899 15.157 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.352 -12.468 15.023 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.429 -13.059 13.773 1.00 0.00 H new ATOM 1371 N ASN A 91 -1.033 -13.692 14.597 1.00 0.00 N ATOM 1372 CA ASN A 91 -2.323 -13.643 15.339 1.00 0.00 C ATOM 1373 C ASN A 91 -3.434 -13.159 14.405 1.00 0.00 C ATOM 1374 O ASN A 91 -4.580 -13.047 14.791 1.00 0.00 O ATOM 1375 CB ASN A 91 -2.096 -12.637 16.469 1.00 0.00 C ATOM 1376 CG ASN A 91 -1.182 -13.253 17.529 1.00 0.00 C ATOM 1377 OD1 ASN A 91 -1.631 -13.619 18.597 1.00 0.00 O ATOM 1378 ND2 ASN A 91 0.092 -13.384 17.278 1.00 0.00 N ATOM 0 H ASN A 91 -0.622 -12.784 14.380 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.622 -14.618 15.723 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.648 -11.726 16.073 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.050 -12.355 16.916 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.710 -13.794 17.978 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.469 -13.077 16.382 1.00 0.00 H new ATOM 1385 N VAL A 92 -3.099 -12.864 13.176 1.00 0.00 N ATOM 1386 CA VAL A 92 -4.131 -12.382 12.219 1.00 0.00 C ATOM 1387 C VAL A 92 -3.975 -13.087 10.868 1.00 0.00 C ATOM 1388 O VAL A 92 -2.879 -13.252 10.371 1.00 0.00 O ATOM 1389 CB VAL A 92 -3.852 -10.885 12.076 1.00 0.00 C ATOM 1390 CG1 VAL A 92 -4.917 -10.250 11.181 1.00 0.00 C ATOM 1391 CG2 VAL A 92 -3.892 -10.228 13.458 1.00 0.00 C ATOM 0 H VAL A 92 -2.155 -12.937 12.796 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.145 -12.584 12.563 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.869 -10.739 11.629 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.718 -9.183 11.079 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.893 -10.719 10.197 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.901 -10.395 11.627 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.693 -9.161 13.359 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.877 -10.374 13.902 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.134 -10.680 14.098 1.00 0.00 H new ATOM 1401 N ARG A 93 -5.057 -13.498 10.265 1.00 0.00 N ATOM 1402 CA ARG A 93 -4.956 -14.176 8.949 1.00 0.00 C ATOM 1403 C ARG A 93 -4.651 -13.143 7.862 1.00 0.00 C ATOM 1404 O ARG A 93 -3.647 -13.215 7.181 1.00 0.00 O ATOM 1405 CB ARG A 93 -6.326 -14.815 8.718 1.00 0.00 C ATOM 1406 CG ARG A 93 -6.144 -16.187 8.066 1.00 0.00 C ATOM 1407 CD ARG A 93 -5.676 -16.008 6.619 1.00 0.00 C ATOM 1408 NE ARG A 93 -5.034 -17.303 6.259 1.00 0.00 N ATOM 1409 CZ ARG A 93 -4.282 -17.385 5.195 1.00 0.00 C ATOM 1410 NH1 ARG A 93 -4.317 -16.437 4.298 1.00 0.00 N ATOM 1411 NH2 ARG A 93 -3.496 -18.413 5.028 1.00 0.00 N ATOM 0 H ARG A 93 -6.004 -13.392 10.629 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.160 -14.920 8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.856 -14.918 9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.935 -14.175 8.080 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.415 -16.773 8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.083 -16.740 8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.514 -15.785 5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.972 -15.181 6.531 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.182 -18.126 6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.931 -15.633 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.730 -16.500 3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.469 -19.153 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.909 -18.476 4.196 1.00 0.00 H new ATOM 1425 N TRP A 94 -5.510 -12.174 7.709 1.00 0.00 N ATOM 1426 CA TRP A 94 -5.283 -11.117 6.683 1.00 0.00 C ATOM 1427 C TRP A 94 -6.097 -9.874 7.050 1.00 0.00 C ATOM 1428 O TRP A 94 -6.818 -9.867 8.028 1.00 0.00 O ATOM 1429 CB TRP A 94 -5.763 -11.724 5.361 1.00 0.00 C ATOM 1430 CG TRP A 94 -7.258 -11.734 5.316 1.00 0.00 C ATOM 1431 CD1 TRP A 94 -8.040 -12.776 5.682 1.00 0.00 C ATOM 1432 CD2 TRP A 94 -8.162 -10.676 4.883 1.00 0.00 C ATOM 1433 NE1 TRP A 94 -9.365 -12.425 5.502 1.00 0.00 N ATOM 1434 CE2 TRP A 94 -9.492 -11.140 5.011 1.00 0.00 C ATOM 1435 CE3 TRP A 94 -7.958 -9.371 4.397 1.00 0.00 C ATOM 1436 CZ2 TRP A 94 -10.582 -10.339 4.669 1.00 0.00 C ATOM 1437 CZ3 TRP A 94 -9.053 -8.562 4.052 1.00 0.00 C ATOM 1438 CH2 TRP A 94 -10.362 -9.045 4.188 1.00 0.00 C ATOM 0 H TRP A 94 -6.365 -12.068 8.254 1.00 0.00 H new ATOM 0 HA TRP A 94 -4.239 -10.810 6.615 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -5.370 -11.149 4.523 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.381 -12.740 5.258 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -7.687 -13.726 6.054 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -10.153 -13.040 5.707 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.953 -8.989 4.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -11.588 -10.716 4.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.886 -7.562 3.680 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -11.200 -8.418 3.921 1.00 0.00 H new ATOM 1449 N GLU A 95 -5.992 -8.820 6.288 1.00 0.00 N ATOM 1450 CA GLU A 95 -6.771 -7.596 6.632 1.00 0.00 C ATOM 1451 C GLU A 95 -6.836 -6.645 5.439 1.00 0.00 C ATOM 1452 O GLU A 95 -6.008 -6.684 4.551 1.00 0.00 O ATOM 1453 CB GLU A 95 -6.005 -6.955 7.789 1.00 0.00 C ATOM 1454 CG GLU A 95 -6.813 -7.102 9.079 1.00 0.00 C ATOM 1455 CD GLU A 95 -5.990 -6.583 10.259 1.00 0.00 C ATOM 1456 OE1 GLU A 95 -4.984 -7.198 10.570 1.00 0.00 O ATOM 1457 OE2 GLU A 95 -6.380 -5.579 10.831 1.00 0.00 O ATOM 0 H GLU A 95 -5.409 -8.752 5.454 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.802 -7.828 6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.031 -7.430 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.823 -5.901 7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.747 -6.546 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.077 -8.148 9.238 1.00 0.00 H new ATOM 1464 N TYR A 96 -7.814 -5.783 5.417 1.00 0.00 N ATOM 1465 CA TYR A 96 -7.931 -4.823 4.287 1.00 0.00 C ATOM 1466 C TYR A 96 -6.905 -3.703 4.458 1.00 0.00 C ATOM 1467 O TYR A 96 -6.345 -3.522 5.520 1.00 0.00 O ATOM 1468 CB TYR A 96 -9.353 -4.270 4.380 1.00 0.00 C ATOM 1469 CG TYR A 96 -10.217 -4.917 3.323 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -9.842 -4.852 1.975 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -11.395 -5.580 3.689 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -10.644 -5.450 0.995 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -12.196 -6.178 2.709 1.00 0.00 C ATOM 1474 CZ TYR A 96 -11.821 -6.113 1.362 1.00 0.00 C ATOM 1475 OH TYR A 96 -12.611 -6.701 0.397 1.00 0.00 O ATOM 0 H TYR A 96 -8.536 -5.703 6.133 1.00 0.00 H new ATOM 0 HA TYR A 96 -7.744 -5.289 3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.766 -4.464 5.370 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -9.343 -3.188 4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -8.934 -4.341 1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -11.686 -5.630 4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -10.354 -5.400 -0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -13.104 -6.690 2.992 1.00 0.00 H new ATOM 0 HH TYR A 96 -13.389 -7.119 0.821 1.00 0.00 H new ATOM 1485 N CYS A 97 -6.652 -2.951 3.426 1.00 0.00 N ATOM 1486 CA CYS A 97 -5.659 -1.846 3.542 1.00 0.00 C ATOM 1487 C CYS A 97 -6.375 -0.514 3.772 1.00 0.00 C ATOM 1488 O CYS A 97 -7.486 -0.314 3.326 1.00 0.00 O ATOM 1489 CB CYS A 97 -4.923 -1.840 2.203 1.00 0.00 C ATOM 1490 SG CYS A 97 -4.353 -3.515 1.829 1.00 0.00 S ATOM 0 H CYS A 97 -7.087 -3.052 2.509 1.00 0.00 H new ATOM 0 HA CYS A 97 -4.977 -1.985 4.381 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -5.584 -1.483 1.413 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -4.076 -1.155 2.243 1.00 0.00 H new ATOM 1495 N ASN A 98 -5.745 0.396 4.465 1.00 0.00 N ATOM 1496 CA ASN A 98 -6.390 1.720 4.723 1.00 0.00 C ATOM 1497 C ASN A 98 -6.786 2.378 3.403 1.00 0.00 C ATOM 1498 O ASN A 98 -6.080 3.224 2.891 1.00 0.00 O ATOM 1499 CB ASN A 98 -5.316 2.560 5.415 1.00 0.00 C ATOM 1500 CG ASN A 98 -5.402 2.361 6.930 1.00 0.00 C ATOM 1501 OD1 ASN A 98 -4.345 1.964 7.585 1.00 0.00 O flip ATOM 1502 ND2 ASN A 98 -6.441 2.569 7.524 1.00 0.00 N flip ATOM 0 H ASN A 98 -4.813 0.282 4.864 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.293 1.622 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -4.328 2.272 5.056 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -5.450 3.613 5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -7.267 2.879 7.013 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -6.487 2.433 8.534 1.00 0.00 H new ATOM 1509 N LEU A 99 -7.899 2.002 2.836 1.00 0.00 N ATOM 1510 CA LEU A 99 -8.299 2.622 1.545 1.00 0.00 C ATOM 1511 C LEU A 99 -9.820 2.776 1.451 1.00 0.00 C ATOM 1512 O LEU A 99 -10.578 1.887 1.786 1.00 0.00 O ATOM 1513 CB LEU A 99 -7.792 1.659 0.469 1.00 0.00 C ATOM 1514 CG LEU A 99 -6.275 1.498 0.588 1.00 0.00 C ATOM 1515 CD1 LEU A 99 -5.795 0.453 -0.418 1.00 0.00 C ATOM 1516 CD2 LEU A 99 -5.595 2.837 0.293 1.00 0.00 C ATOM 0 H LEU A 99 -8.541 1.301 3.206 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.883 3.624 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.279 0.690 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.050 2.037 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.022 1.176 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.714 0.337 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.279 -0.501 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.048 0.777 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.514 2.723 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.848 3.159 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.938 3.585 1.008 1.00 0.00 H new ATOM 1528 N THR A 100 -10.253 3.905 0.973 1.00 0.00 N ATOM 1529 CA THR A 100 -11.697 4.180 0.806 1.00 0.00 C ATOM 1530 C THR A 100 -11.870 4.962 -0.490 1.00 0.00 C ATOM 1531 O THR A 100 -10.931 5.556 -0.982 1.00 0.00 O ATOM 1532 CB THR A 100 -12.086 5.044 2.001 1.00 0.00 C ATOM 1533 OG1 THR A 100 -11.060 5.994 2.251 1.00 0.00 O ATOM 1534 CG2 THR A 100 -12.282 4.162 3.233 1.00 0.00 C ATOM 0 H THR A 100 -9.644 4.670 0.683 1.00 0.00 H new ATOM 0 HA THR A 100 -12.309 3.279 0.760 1.00 0.00 H new ATOM 0 HB THR A 100 -13.018 5.565 1.783 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.310 6.551 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 100 -12.560 4.783 4.085 1.00 0.00 H new ATOM 0 HG22 THR A 100 -13.073 3.437 3.039 1.00 0.00 H new ATOM 0 HG23 THR A 100 -11.354 3.636 3.455 1.00 0.00 H new ATOM 1542 N GLN A 101 -13.034 4.979 -1.056 1.00 0.00 N ATOM 1543 CA GLN A 101 -13.195 5.745 -2.320 1.00 0.00 C ATOM 1544 C GLN A 101 -12.594 7.137 -2.131 1.00 0.00 C ATOM 1545 O GLN A 101 -13.205 8.012 -1.550 1.00 0.00 O ATOM 1546 CB GLN A 101 -14.703 5.825 -2.558 1.00 0.00 C ATOM 1547 CG GLN A 101 -15.065 5.020 -3.808 1.00 0.00 C ATOM 1548 CD GLN A 101 -16.525 4.572 -3.721 1.00 0.00 C ATOM 1549 OE1 GLN A 101 -16.928 3.956 -2.755 1.00 0.00 O ATOM 1550 NE2 GLN A 101 -17.340 4.858 -4.699 1.00 0.00 N ATOM 0 H GLN A 101 -13.870 4.507 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.692 5.280 -3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -15.240 5.435 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.008 6.864 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -14.912 5.626 -4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -14.412 4.152 -3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -17.001 5.375 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -18.316 4.564 -4.652 1.00 0.00 H new ATOM 1559 N CYS A 102 -11.384 7.333 -2.596 1.00 0.00 N ATOM 1560 CA CYS A 102 -10.711 8.656 -2.430 1.00 0.00 C ATOM 1561 C CYS A 102 -11.727 9.796 -2.549 1.00 0.00 C ATOM 1562 O CYS A 102 -12.721 9.673 -3.237 1.00 0.00 O ATOM 1563 CB CYS A 102 -9.684 8.727 -3.560 1.00 0.00 C ATOM 1564 SG CYS A 102 -8.491 7.376 -3.380 1.00 0.00 S ATOM 0 H CYS A 102 -10.832 6.629 -3.086 1.00 0.00 H new ATOM 0 HA CYS A 102 -10.244 8.756 -1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -10.185 8.657 -4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -9.168 9.687 -3.537 1.00 0.00 H new ATOM 1569 N PRO A 103 -11.445 10.867 -1.858 1.00 0.00 N ATOM 1570 CA PRO A 103 -12.350 12.044 -1.867 1.00 0.00 C ATOM 1571 C PRO A 103 -12.268 12.792 -3.201 1.00 0.00 C ATOM 1572 O PRO A 103 -11.788 12.275 -4.191 1.00 0.00 O ATOM 1573 CB PRO A 103 -11.821 12.909 -0.727 1.00 0.00 C ATOM 1574 CG PRO A 103 -10.385 12.519 -0.576 1.00 0.00 C ATOM 1575 CD PRO A 103 -10.268 11.080 -1.009 1.00 0.00 C ATOM 0 HA PRO A 103 -13.398 11.771 -1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -11.919 13.970 -0.959 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -12.377 12.731 0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -9.746 13.158 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.060 12.638 0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -9.343 10.902 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.266 10.405 -0.153 1.00 0.00 H new ATOM 1583 N VAL A 104 -12.742 14.008 -3.228 1.00 0.00 N ATOM 1584 CA VAL A 104 -12.706 14.805 -4.489 1.00 0.00 C ATOM 1585 C VAL A 104 -11.273 14.924 -5.013 1.00 0.00 C ATOM 1586 O VAL A 104 -10.327 14.518 -4.368 1.00 0.00 O ATOM 1587 CB VAL A 104 -13.244 16.181 -4.095 1.00 0.00 C ATOM 1588 CG1 VAL A 104 -13.408 17.045 -5.347 1.00 0.00 C ATOM 1589 CG2 VAL A 104 -14.602 16.020 -3.407 1.00 0.00 C ATOM 0 H VAL A 104 -13.155 14.486 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.291 14.342 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.543 16.661 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.792 18.025 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.442 17.161 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.108 16.565 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -14.986 17.001 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.301 15.539 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.487 15.406 -2.514 1.00 0.00 H new ATOM 1599 N THR A 105 -11.111 15.485 -6.179 1.00 0.00 N ATOM 1600 CA THR A 105 -9.744 15.643 -6.755 1.00 0.00 C ATOM 1601 C THR A 105 -9.617 17.013 -7.424 1.00 0.00 C ATOM 1602 O THR A 105 -8.723 17.781 -7.127 1.00 0.00 O ATOM 1603 CB THR A 105 -9.617 14.527 -7.793 1.00 0.00 C ATOM 1604 OG1 THR A 105 -9.533 13.274 -7.130 1.00 0.00 O ATOM 1605 CG2 THR A 105 -8.358 14.749 -8.632 1.00 0.00 C ATOM 0 H THR A 105 -11.869 15.843 -6.761 1.00 0.00 H new ATOM 0 HA THR A 105 -8.964 15.581 -5.996 1.00 0.00 H new ATOM 0 HB THR A 105 -10.490 14.535 -8.445 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.453 12.557 -7.794 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.268 13.953 -9.371 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.425 15.711 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.482 14.741 -7.983 1.00 0.00 H new ATOM 1613 N GLU A 106 -10.507 17.324 -8.327 1.00 0.00 N ATOM 1614 CA GLU A 106 -10.445 18.642 -9.018 1.00 0.00 C ATOM 1615 C GLU A 106 -10.136 19.752 -8.011 1.00 0.00 C ATOM 1616 O GLU A 106 -9.154 20.458 -8.133 1.00 0.00 O ATOM 1617 CB GLU A 106 -11.838 18.837 -9.617 1.00 0.00 C ATOM 1618 CG GLU A 106 -11.714 19.437 -11.019 1.00 0.00 C ATOM 1619 CD GLU A 106 -11.056 20.815 -10.928 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -11.691 21.719 -10.410 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -9.929 20.942 -11.377 1.00 0.00 O ATOM 0 H GLU A 106 -11.276 16.720 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 106 -9.664 18.675 -9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -12.362 17.882 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -12.430 19.494 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -11.121 18.781 -11.656 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -12.699 19.522 -11.478 1.00 0.00 H new ATOM 1628 N SER A 107 -10.968 19.912 -7.018 1.00 0.00 N ATOM 1629 CA SER A 107 -10.724 20.978 -6.003 1.00 0.00 C ATOM 1630 C SER A 107 -10.656 20.369 -4.600 1.00 0.00 C ATOM 1631 O SER A 107 -10.828 19.179 -4.420 1.00 0.00 O ATOM 1632 CB SER A 107 -11.922 21.917 -6.122 1.00 0.00 C ATOM 1633 OG SER A 107 -11.671 22.870 -7.146 1.00 0.00 O ATOM 0 H SER A 107 -11.806 19.351 -6.865 1.00 0.00 H new ATOM 0 HA SER A 107 -9.780 21.497 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.823 21.348 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.098 22.423 -5.173 1.00 0.00 H new ATOM 0 HG SER A 107 -12.439 23.474 -7.226 1.00 0.00 H new ATOM 1639 N SER A 108 -10.406 21.175 -3.604 1.00 0.00 N ATOM 1640 CA SER A 108 -10.326 20.642 -2.213 1.00 0.00 C ATOM 1641 C SER A 108 -10.629 21.750 -1.201 1.00 0.00 C ATOM 1642 O SER A 108 -9.819 22.623 -0.960 1.00 0.00 O ATOM 1643 CB SER A 108 -8.885 20.157 -2.059 1.00 0.00 C ATOM 1644 OG SER A 108 -8.812 19.233 -0.981 1.00 0.00 O ATOM 0 H SER A 108 -10.254 22.180 -3.693 1.00 0.00 H new ATOM 0 HA SER A 108 -11.048 19.845 -2.035 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.548 19.684 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.223 21.003 -1.874 1.00 0.00 H new ATOM 0 HG SER A 108 -7.889 18.919 -0.881 1.00 0.00 H new ATOM 1650 N VAL A 109 -11.791 21.721 -0.607 1.00 0.00 N ATOM 1651 CA VAL A 109 -12.149 22.771 0.390 1.00 0.00 C ATOM 1652 C VAL A 109 -13.281 22.273 1.293 1.00 0.00 C ATOM 1653 O VAL A 109 -14.264 21.730 0.829 1.00 0.00 O ATOM 1654 CB VAL A 109 -12.614 23.967 -0.442 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -13.634 23.500 -1.481 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -13.262 25.006 0.476 1.00 0.00 C ATOM 0 H VAL A 109 -12.509 21.015 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 109 -11.312 23.029 1.039 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.757 24.412 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.966 24.352 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -13.174 22.760 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.491 23.055 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.594 25.859 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.119 24.561 0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.536 25.340 1.217 1.00 0.00 H new ATOM 1666 N LEU A 110 -13.150 22.451 2.579 1.00 0.00 N ATOM 1667 CA LEU A 110 -14.219 21.984 3.508 1.00 0.00 C ATOM 1668 C LEU A 110 -14.792 23.164 4.297 1.00 0.00 C ATOM 1669 O LEU A 110 -14.728 23.201 5.510 1.00 0.00 O ATOM 1670 CB LEU A 110 -13.525 20.998 4.448 1.00 0.00 C ATOM 1671 CG LEU A 110 -12.459 21.732 5.263 1.00 0.00 C ATOM 1672 CD1 LEU A 110 -12.568 21.322 6.733 1.00 0.00 C ATOM 1673 CD2 LEU A 110 -11.072 21.364 4.734 1.00 0.00 C ATOM 0 H LEU A 110 -12.350 22.899 3.027 1.00 0.00 H new ATOM 0 HA LEU A 110 -15.053 21.524 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -14.255 20.539 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -13.068 20.192 3.874 1.00 0.00 H new ATOM 0 HG LEU A 110 -12.610 22.808 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -11.808 21.845 7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -13.557 21.582 7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -12.417 20.246 6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -10.311 21.886 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.922 20.288 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.993 21.655 3.686 1.00 0.00 H new ATOM 1685 N ALA A 111 -15.354 24.128 3.620 1.00 0.00 N ATOM 1686 CA ALA A 111 -15.930 25.302 4.336 1.00 0.00 C ATOM 1687 C ALA A 111 -17.278 24.931 4.962 1.00 0.00 C ATOM 1688 O ALA A 111 -18.324 25.321 4.483 1.00 0.00 O ATOM 1689 CB ALA A 111 -16.115 26.372 3.260 1.00 0.00 C ATOM 0 H ALA A 111 -15.439 24.154 2.604 1.00 0.00 H new ATOM 0 HA ALA A 111 -15.288 25.647 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -16.537 27.271 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -15.150 26.609 2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -16.791 26.000 2.490 1.00 0.00 H new ATOM 1695 N THR A 112 -17.260 24.179 6.029 1.00 0.00 N ATOM 1696 CA THR A 112 -18.541 23.783 6.683 1.00 0.00 C ATOM 1697 C THR A 112 -18.921 24.800 7.762 1.00 0.00 C ATOM 1698 O THR A 112 -19.782 25.635 7.567 1.00 0.00 O ATOM 1699 CB THR A 112 -18.268 22.414 7.314 1.00 0.00 C ATOM 1700 OG1 THR A 112 -16.892 22.087 7.168 1.00 0.00 O ATOM 1701 CG2 THR A 112 -19.123 21.353 6.621 1.00 0.00 C ATOM 0 H THR A 112 -16.415 23.822 6.476 1.00 0.00 H new ATOM 0 HA THR A 112 -19.367 23.745 5.973 1.00 0.00 H new ATOM 0 HB THR A 112 -18.520 22.447 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 112 -16.719 21.212 7.574 1.00 0.00 H new ATOM 0 HG21 THR A 112 -18.929 20.379 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 112 -20.178 21.602 6.738 1.00 0.00 H new ATOM 0 HG23 THR A 112 -18.873 21.320 5.561 1.00 0.00 H new ATOM 1709 N SER A 113 -18.286 24.735 8.900 1.00 0.00 N ATOM 1710 CA SER A 113 -18.613 25.696 9.993 1.00 0.00 C ATOM 1711 C SER A 113 -18.289 27.128 9.556 1.00 0.00 C ATOM 1712 O SER A 113 -17.514 27.350 8.647 1.00 0.00 O ATOM 1713 CB SER A 113 -17.726 25.279 11.164 1.00 0.00 C ATOM 1714 OG SER A 113 -17.436 26.419 11.963 1.00 0.00 O ATOM 0 H SER A 113 -17.555 24.059 9.121 1.00 0.00 H new ATOM 0 HA SER A 113 -19.671 25.678 10.256 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.228 24.519 11.763 1.00 0.00 H new ATOM 0 HB3 SER A 113 -16.802 24.835 10.795 1.00 0.00 H new ATOM 0 HG SER A 113 -16.868 26.154 12.717 1.00 0.00 H new ATOM 1720 N THR A 114 -18.875 28.099 10.201 1.00 0.00 N ATOM 1721 CA THR A 114 -18.601 29.517 9.829 1.00 0.00 C ATOM 1722 C THR A 114 -18.012 30.268 11.027 1.00 0.00 C ATOM 1723 O THR A 114 -18.718 30.652 11.938 1.00 0.00 O ATOM 1724 CB THR A 114 -19.963 30.100 9.448 1.00 0.00 C ATOM 1725 OG1 THR A 114 -20.521 29.340 8.384 1.00 0.00 O ATOM 1726 CG2 THR A 114 -19.792 31.554 9.005 1.00 0.00 C ATOM 0 H THR A 114 -19.532 27.972 10.970 1.00 0.00 H new ATOM 0 HA THR A 114 -17.882 29.600 9.014 1.00 0.00 H new ATOM 0 HB THR A 114 -20.629 30.062 10.310 1.00 0.00 H new ATOM 0 HG1 THR A 114 -21.394 29.711 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 114 -20.763 31.968 8.734 1.00 0.00 H new ATOM 0 HG22 THR A 114 -19.365 32.135 9.822 1.00 0.00 H new ATOM 0 HG23 THR A 114 -19.126 31.596 8.143 1.00 0.00 H new ATOM 1734 N ALA A 115 -16.724 30.478 11.034 1.00 0.00 N ATOM 1735 CA ALA A 115 -16.094 31.201 12.176 1.00 0.00 C ATOM 1736 C ALA A 115 -15.171 32.308 11.658 1.00 0.00 C ATOM 1737 O ALA A 115 -14.810 32.337 10.498 1.00 0.00 O ATOM 1738 CB ALA A 115 -15.290 30.136 12.921 1.00 0.00 C ATOM 0 H ALA A 115 -16.081 30.181 10.300 1.00 0.00 H new ATOM 0 HA ALA A 115 -16.832 31.680 12.820 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.793 30.589 13.779 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -15.960 29.348 13.264 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.542 29.711 12.252 1.00 0.00 H new ATOM 1744 N VAL A 116 -14.785 33.218 12.510 1.00 0.00 N ATOM 1745 CA VAL A 116 -13.885 34.321 12.067 1.00 0.00 C ATOM 1746 C VAL A 116 -12.495 34.150 12.685 1.00 0.00 C ATOM 1747 O VAL A 116 -12.076 34.926 13.521 1.00 0.00 O ATOM 1748 CB VAL A 116 -14.545 35.602 12.578 1.00 0.00 C ATOM 1749 CG1 VAL A 116 -14.747 35.504 14.091 1.00 0.00 C ATOM 1750 CG2 VAL A 116 -13.645 36.799 12.262 1.00 0.00 C ATOM 0 H VAL A 116 -15.054 33.246 13.494 1.00 0.00 H new ATOM 0 HA VAL A 116 -13.752 34.335 10.985 1.00 0.00 H new ATOM 0 HB VAL A 116 -15.511 35.732 12.090 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -15.217 36.417 14.455 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -15.386 34.651 14.318 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -13.781 35.374 14.579 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -14.114 37.713 12.626 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.680 36.667 12.751 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -13.499 36.870 11.184 1.00 0.00 H new ATOM 1760 N SER A 117 -11.776 33.139 12.280 1.00 0.00 N ATOM 1761 CA SER A 117 -10.413 32.919 12.844 1.00 0.00 C ATOM 1762 C SER A 117 -9.357 33.081 11.746 1.00 0.00 C ATOM 1763 O SER A 117 -9.574 32.722 10.606 1.00 0.00 O ATOM 1764 CB SER A 117 -10.428 31.484 13.368 1.00 0.00 C ATOM 1765 OG SER A 117 -10.527 31.504 14.786 1.00 0.00 O ATOM 0 H SER A 117 -12.073 32.456 11.583 1.00 0.00 H new ATOM 0 HA SER A 117 -10.168 33.635 13.629 1.00 0.00 H new ATOM 0 HB2 SER A 117 -11.269 30.937 12.941 1.00 0.00 H new ATOM 0 HB3 SER A 117 -9.521 30.963 13.062 1.00 0.00 H new ATOM 0 HG SER A 117 -10.538 30.585 15.126 1.00 0.00 H new ATOM 1771 N GLU A 118 -8.217 33.619 12.081 1.00 0.00 N ATOM 1772 CA GLU A 118 -7.150 33.804 11.055 1.00 0.00 C ATOM 1773 C GLU A 118 -5.819 34.143 11.731 1.00 0.00 C ATOM 1774 O GLU A 118 -5.214 35.161 11.459 1.00 0.00 O ATOM 1775 CB GLU A 118 -7.629 34.974 10.195 1.00 0.00 C ATOM 1776 CG GLU A 118 -7.310 34.694 8.725 1.00 0.00 C ATOM 1777 CD GLU A 118 -7.321 36.008 7.941 1.00 0.00 C ATOM 1778 OE1 GLU A 118 -7.144 37.045 8.559 1.00 0.00 O ATOM 1779 OE2 GLU A 118 -7.505 35.954 6.737 1.00 0.00 O ATOM 0 H GLU A 118 -7.977 33.939 13.020 1.00 0.00 H new ATOM 0 HA GLU A 118 -6.984 32.904 10.463 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -8.702 35.118 10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -7.143 35.896 10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.335 34.215 8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.043 34.003 8.308 1.00 0.00 H new ATOM 1786 N GLN A 119 -5.359 33.298 12.613 1.00 0.00 N ATOM 1787 CA GLN A 119 -4.068 33.573 13.306 1.00 0.00 C ATOM 1788 C GLN A 119 -3.252 32.284 13.436 1.00 0.00 C ATOM 1789 O GLN A 119 -3.240 31.719 14.517 1.00 0.00 O ATOM 1790 CB GLN A 119 -4.464 34.097 14.687 1.00 0.00 C ATOM 1791 CG GLN A 119 -5.411 33.101 15.358 1.00 0.00 C ATOM 1792 CD GLN A 119 -6.801 33.725 15.490 1.00 0.00 C ATOM 1793 OE1 GLN A 119 -6.928 34.916 15.695 1.00 0.00 O ATOM 1794 NE2 GLN A 119 -7.857 32.967 15.379 1.00 0.00 N ATOM 1795 OXT GLN A 119 -2.653 31.884 12.451 1.00 0.00 O ATOM 0 H GLN A 119 -5.821 32.430 12.884 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.450 34.286 12.760 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -3.575 34.241 15.302 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -4.948 35.069 14.594 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -5.467 32.184 14.771 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -5.029 32.827 16.341 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -7.751 31.967 15.207 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -8.788 33.374 15.464 1.00 0.00 H new TER 1804 GLN A 119