hbond O 38 H 42 # 20 out of 20 hbond O 39 H 43 # 20 out of 20 hbond O 41 H 45 # 17 out of 20 hbond O 42 H 46 # 13 out of 20 hbond O 43 H 47 # 20 out of 20 hbond O 44 H 48 # 16 hbond O 46 H 50 # 20 out of 20 hbond O 47 H 51 # 20 hbond O 48 H 52 # 20 out of 20 hbond O 49 H 53 # 20 out of 20 #hbond O 51 H 54 # 11 out of 20 #hbond O 52 H 55 # 19 out of 20 #hbond O 109 H 59 # 13 out of 20 hbond O 59 H 63 # 20 out of 20 hbond O 60 H 64 # 20 out of 20 hbond O 61 H 65 # 16 out of 20 hbond O 62 H 66 # 20 out of 20 hbond O 63 H 67 #20 hbond O 64 H 68 # 13 out of 20 hbond O 65 H 69 # 20 out of 20 hbond O 66 H 70 # 19 out of 20 hbond O 67 H 71 # 15 out of 20 hbond O 68 H 72 # 20 out of 20 hbond O 69 H 73 # 20 out of 20 hbond O 70 H 74 # 19 out of 20 hbond O 72 H 76 # 20 out of 20 hbond O 73 H 77 # 20 out of 20 #hbond O 75 H 78 # 13 out of 20 #hbond O 76 H 79 # 20 out of 20 hbond O 82 H 86 # 11 out of 20 hbond O 83 H 87 # 20 out of 20 hbond O 84 H 88 # 20 out of 20 hbond O 85 H 89 # 20 hbond O 86 H 90 # 20 out of 20 hbond O 87 H 91 # 20 out of 20 hbond O 88 H 92 # 20 out of 20 hbond O 89 H 93 # 20 hbond O 90 H 94 # 19 out of 20 hbond O 91 H 95 # 13 out of 20 hbond O 92 H 96 # 19 hbond O 93 H 97 # 20 out of 20 #hbond O 94 H 98 # 20 hbond O 95 H 99 # 17 out of 20 hbond O 96 H 100 # 16 out of 20 hbond O 97 H 101 # 16 hbond O 98 H 102 # 20 out of 20 hbond O 99 H 103 # 20 #hbond O 101 H 105 # 19 out of 20 #hbond O 103 H 108 # 20 out of 20 #hbond O 108 H 110 # 18 out of 20 hbond O 117 H 121 # 20 from cns hbond O 118 H 122 # 20 out of 20 hbond O 119 H 123 # 20 hbond O 120 H 124 # 20 hbond O 121 H 125 # 20 out of 20 hbond O 122 H 126 # 20 out of 20 hbond O 123 H 127 # 20 out of 20 hbond O 124 H 128 # 10 out of 20 hbond O 125 H 129 # 19 out of 20 hbond O 126 H 130 # 20 out of 20 hbond O 128 H 132 # 20 out of 20 hbond O 129 H 133 # 20 out of 20 #hbond O 131 H 134 # 19 out of 20 #hbond O 132 H 135 # 20 out of 20